A0A3Q0KNK6_SCHMA Loading...

Rho-GAP domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNK6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,560 aa.

>A0A3Q0KNK6_SCHMA|A0A3Q0KNK6
MFRLVFIQCYYLSQWSVSNSISSLYCYYYFNCSDCYPYLIHSFEIETVYNLQLSINIFHSQNDYYYYCNYFRIESVKRQLHSIPNKSNNSWNFKNLTYRFPEVLNFGNINIKIIDQFPFNNNINNTVKYSNISFVAQIIQHNTTKLFTNNQLHLEHQMAEESVDSGISSELYPTKSDQTSSNLNIELQKLEGNKNIRNLALLQPVDNFIHNPCHNHSYTECTKTNSHVGFLQNEFYKNPNLDYDRFLHSADQSYTFNNPKLNKKQILSKFKKINTSSFDSAFETSSESTLSLVSNLSGSYQKLNCAIQPKYSSNFNNFNKFIGQKNKNMTEDPNKSIIQDFYTCDKQTNRYNMNEGKTLNPRVHFVPEEGVNTSNLPGPSRPTSEYTLDSTGNISDQNKMLSHLLSSRDYVYMPTNRIATAGTSNIRGGQLLSNWQHQQQPNRQQANLYDAHPESLIHNLNQLTDNRSRNAPYSLQQQQQQASQNRTHGDQICDPGKVSNQPQQTRLQNQPNQQQTNYQQLISALLAAASASKSRLESQSSHTSNLSPMGVDAAWNQQKFNTSNRWSDSELASNNAKDIQYQVQAQQQIRQQQQQQATAAAAAAAAAAAAMAALQCSAKSSTNIPLNMQRQVPFLFGSSNSSNMIQRNPAQLRSSYSSGDESSAMRIMNPASLVTPMKTLRRFCTPDMNINESNLSQTLLLPQQPLNTMSESVPLSEQNNKVQRATQQLITQLNKFQDLSVSGDDYANYQCLESLLGQASRQPLAPAPSVQMENVLCTDPSGTRSSFPNESLYMSSKLPAQILGNTRTSTAPTSLSGQAELETAYSNLDSHSFGTSKTLSDRFGDFLTLPSERCLSTSQAPPRHPSQSSSYDWDTSNTPSRTANLQNVDRIPKSGNLNGLFILHVIAGKGLNSTHIIVRDLYCVIEMDSVRKARSMIRTSTSYFEWNEVFELDMEDNRFLAVLLYQWDPRTKHRLCFYGGIDLKNLLGKLTSSNIASTSNTSTGELILSPSVSILSKNVYKIALQLEPRGVLYLELSHIPLEKLFHRNQHLLSTSALSSTSTDRLLFGVSIDELIERERVICQITGLYSPKQLIYQNTNDYMFIPLFIKKCVEEIDKRGSDVVGVYRLAGSVWMKLQVRELFNRVTKSTLKAIVHEDAKAIKDIIQLVDLSAQRIPDIHAITAVFKDFLRELPEPLFTSALYPMFYDAMQIALPGFTQSGAKLVLNILDCLPANNQEILLYLLDHFKRLTNNCEVNKMDTQNLATCLAPVLFYPSPSSARNLDPNILEPRKMAEIFKFILEIWPDDRSKSYKFNPAESWTSPYSSNPPLPEEQHQTGFHPQYHHHPKHRYDQSSHRASSAIRSTISGPAGTGLGYRSPHTVQRSSILASKAESDKSDYAGIGRSGTVKYGNGSNGSSRQAVGQEGHRRTSRDPRQTVSFGNAKTIRTHSAQRKTLSQTDITLGSTREYTVGFDFRDQQVMLPSDESNIRVHPRFQDIPTTGSTGTDSGTRSSLSVGSRQPCPPSHASSSVDRGELNRSSSQERQNYGRTHRLSRRSHPFS
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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
1M32Very low32.1Very low200 Ų200157.8 Ų157.899%0.98574%0.737SS**  0-71.60-59.5-43.1-119.400112.6R3 L4M1-R3 PolarHBondContact O-N 3.45Å; M1-L4 PolarHBondContact O-N 3.43Å; M1-L4 VanDerWaalsContact O-N 3.16Å
2F28.7Very low32Very low140 Ų140159.3 Ų159.361%0.61475%0.752SS**THydrogen-bonded Turntrans-62.218.7178.9-105-89000116.9F30F2-F30 HydrophobicContact CE2-CE1 4.47Å; F2-F30 HydrophobicContact CZ-CD1 4.22Å; F2-F30 HydrophobicContact CZ-CD2 4.06Å; F2-F30 HydrophobicContact CZ-CE1 4.06Å; F2-F30 AromaticContact CZ-CE2 3.9Å; F2-F30 HydrophobicContact CZ-CE2 3.9Å; F2-F30 HydrophobicContact CZ-CG 4.22Å; F2-F30 AromaticContact CZ-CZ 3.9Å; F2-F30 HydrophobicContact CZ-CZ 3.9Å
3R28.6Very low31.6Very low218 Ų218154.8 Ų154.882%0.82375%0.749SS**THydrogen-bonded Turntrans-128.42.7177-90-173.2173.1179.4-1.8114.5M1 I7M1-R3 PolarHBondContact O-N 3.45Å; R3-I7 VanDerWaalsContact O-CD1 3.27Å; R3-I7 WeakPolarHBondContact O-CD1 3.47Å
4L33.8Very low31.2Very low123 Ų123156.4 Ų156.464%0.64475%0.754SS**THydrogen-bonded Turntrans-102.7-36176.3-87.8162.9000113.4M1 F6 I7M1-L4 PolarHBondContact O-N 3.43Å; M1-L4 VanDerWaalsContact O-N 3.16Å; L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 3.32Å; L4-I7 PolarHBondContact O-N 3.11Å
5V36.6Very low31Very low115 Ų115162.5 Ų162.570%0.69777%0.767SS**Hα-helixtrans-65.3-35.6175-176.60000111.4I7 Q8V5-I7 PolarHBondContact O-N 3.14Å; V5-Q8 PolarHBondContact O-N 3.16Å
6F34Very low30.9Very low154 Ų154158.5 Ų158.568%0.67576%0.762SS**Hα-helixtrans-69.1-10.4178.6-119.2-85.6000114.9L4L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 3.32Å
7I35.1Very low30.7Very low111 Ų111156.6 Ų156.657%0.56976%0.762SS**Hα-helixtrans-92.9-23.5-179.6-68.5177.8000111.4R3 L4 V5R3-I7 VanDerWaalsContact O-CD1 3.27Å; R3-I7 WeakPolarHBondContact O-CD1 3.47Å; L4-I7 PolarHBondContact O-N 3.11Å; V5-I7 PolarHBondContact O-N 3.14Å
8Q31.6Very low30.6Very low173 Ų173153.2 Ų153.281%0.80876%0.757SS**Hα-helixtrans-90.7-13.4-175.2-145.6152.5-8.100113.8V5V5-Q8 PolarHBondContact O-N 3.16Å
9C31.6Very low30.6Very low114 Ų114153.5 Ų153.577%0.7776%0.761SS**THydrogen-bonded Turntrans-90.3-0.4167.4-62.60000113.7
10Y30.2Very low30.5Very low187 Ų187151.4 Ų151.473%0.73376%0.762SS**SBendtrans-95.610.3-173.9-154.9-97.9000113.9
11Y30.8Very low30.3Very low201 Ų201152 Ų15279%0.78877%0.766SS**SBendtrans-135.811.1-167.2-111.6-75.7000117.2
12L31.1Very low30.1Very low176 Ų176148.2 Ų148.292%0.92176%0.759SS**  trans-126.931.5173.9-78.8174000113.4
13S26.7Very low30.1Very low101 Ų101146.6 Ų146.671%0.70677%0.765SS**  trans-105.556.9-178.8640000113.6
14Q26.1Very low30Very low176 Ų176142.2 Ų142.282%0.82276%0.758SS**  trans-149.4120.9156.5-74.3-158.24.400111
15W28.9Very low29.8Very low249 Ų249146.9 Ų146.994%0.94377%0.768SS**SBendtrans168.6102.9134.1-103.276.5000109.8
16S29.2Very low29.2Very low98 Ų98145.4 Ų145.469%0.68576%0.762SS**  trans39.699.8155.5-168.50000119.6
17V27.6Very low28.9Very low126 Ų126148.3 Ų148.376%0.76477%0.77SS**  67.4117.784.9170.70000112.8
18S29Very low28.4Very low96 Ų96150.5 Ų150.567%0.67177%0.772SS**  -152.6151.350.1-47.70000115.9
19N28.9Very low28.3Very low158 Ų158153 Ų15385%0.84578%0.776SS**  trans45.5130.3146.4-55.2-7.9000121
20S29.4Very low28Very low112 Ų112153.6 Ų153.678%0.78377%0.765SS**  cis-160.9122.1-348.90000111.7
21I25.9Very low27.8Very low164 Ų164150.1 Ų150.184%0.84176%0.76SS**  trans-135.1126.2172.5-63.8175.2000108.9
22S27.7Very low27.6Very low120 Ų120145.4 Ų145.484%0.83976%0.755SS**  trans-174.9151.5161.3-79.80000107.6
23S30.2Very low27.4Very low106 Ų106141.9 Ų141.974%0.74175%0.745SS**  cis-121.9147.714.8-168.70000113.4
24L26.5Very low27.4Very low127 Ų127144.3 Ų144.367%0.66575%0.75SS**  trans-69.5156.4158-81.958.4000109.6
25Y27.7Very low27.5Very low221 Ų221142.3 Ų142.387%0.86775%0.754SS**  trans-128.7103.8142.8-118.2-85.3000108.5
26C24.6Very low27.4Very low83 Ų83141.7 Ų141.756%0.56175%0.753SS**  trans-79.8133.2172.4-72.10000109.9
27Y27.6Very low27.6Very low216 Ų216142 Ų14285%0.84775%0.753SS**  trans-129.799.9149.8-111.4-84.9000110.1
28Y25.9Very low27.5Very low156 Ų156146.8 Ų146.861%0.61276%0.759SS**  trans-65.5144.2160.9-94.2-105.4000109.2F30Y28-F30 HydrophobicContact CD1-CD2 4.08Å; Y28-F30 HydrophobicContact CE1-CD2 4.16Å; Y28-F30 HydrophobicContact CE1-CE2 4.26Å
29Y28.2Very low27.4Very low227 Ų227150.1 Ų150.189%0.8977%0.768SS**  -153.5162.1120.7-116.9-79.6000110.8
30F26Very low27.1Very low125 Ų125149.5 Ų149.555%0.54876%0.763SS.*  trans-137155.1-160.5-128.4-79000111.9F2 Y28F2-F30 HydrophobicContact CE2-CE1 4.47Å; F2-F30 HydrophobicContact CZ-CD1 4.22Å; F2-F30 HydrophobicContact CZ-CD2 4.06Å; F2-F30 HydrophobicContact CZ-CE1 4.06Å; F2-F30 AromaticContact CZ-CE2 3.9Å; F2-F30 HydrophobicContact CZ-CE2 3.9Å; F2-F30 HydrophobicContact CZ-CG 4.22Å; F2-F30 AromaticContact CZ-CZ 3.9Å; F2-F30 HydrophobicContact CZ-CZ 3.9Å; Y28-F30 HydrophobicContact CD1-CD2 4.08Å; Y28-F30 HydrophobicContact CE1-CD2 4.16Å; Y28-F30 HydrophobicContact CE1-CE2 4.26Å
31N26.4Very low27Very low114 Ų114152.3 Ų152.361%0.6176%0.764SS**  trans82.8120156.5-70.8-46000122.2
32C25.9Very low26.9Very low103 Ų103148.5 Ų148.570%0.69675%0.752SS**  64.3110.1122.1-600000122.3
33S26.7Very low26.8Very low101 Ų101151.8 Ų151.871%0.70675%0.751SS**  54.9127.6105.3-51.90000121.7
34D27.2Very low26.5Very low152 Ų152154.1 Ų154.181%0.81375%0.751SS**  trans63.783.4140-52.3-26.6000120
35C28.2Very low26.5Very low135 Ų135154.5 Ų154.591%0.91275%0.752SS**  trans-162.2160.1132.5-102.60000113
36Y27.4Very low26.4Very low235 Ų235151.4 Ų151.492%0.92275%0.745SS**  trans-79.1159.9-173.7-105.2-120.8000114.2
37P32.6Very low26.5Very low104 Ų104152.8 Ų152.868%0.67575%0.751SS**  trans-96.7162.7-166.238.2-36.7000114.7
38Y25.9Very low26.5Very low228 Ų228148 Ų14889%0.89475%0.745SS**  trans-165.7157.2145.3-113.9-72.5000113.3
39L26.4Very low26.4Very low166 Ų166149.7 Ų149.787%0.86975%0.751SS**  trans79.7146.6163.2-74.6161.7000120.2
40I22.5Very low26.3Very low144 Ų144145 Ų14574%0.73874%0.742SS**  trans-124.7142.7-163.4-66.5160.6000108.9
41H26.9Very low26.3Very low172 Ų172146 Ų14680%0.79675%0.752SS**  trans173.5125141.7-93.1-56.3000108.2
42S23.8Very low26.3Very low84 Ų84149 Ų14959%0.58776%0.762SS**  88.8153.969.9-62.80000113.4
43F25.8Very low26.2Very low188 Ų188152.3 Ų152.383%0.82577%0.772SS**  trans72.7112.2-163.5-56.4-78.4000113.5
44E24.2Very low26.3Very low156 Ų156152.1 Ų152.173%0.72977%0.771SS**  cis86.1128.526.1-57.2-168.212400117.1
45I25.8Very low26.2Very low134 Ų134151.3 Ų151.369%0.68777%0.765SS**  trans73.8140.1138.5-74.2169.9000116
46E26.2Very low26Very low156 Ų156153 Ų15373%0.72977%0.765SS**  cis-161.217416.1-141.4162.9-157.300114.8
47T27.2Very low25.8Very low112 Ų112148.1 Ų148.169%0.68775%0.753SS**  trans65.3134.815448.90000121.5
48V26.7Very low25.3Very low117 Ų117150.5 Ų150.571%0.70975%0.753SS**  cis95.4133.236.8163.30000112.2
49Y25.4Very low25.2Very low190 Ų190146.6 Ų146.675%0.74574%0.743SS**  cis-163.8173.40.6-124.4-146.9000111.3
50N25.4Very low25.2Very low130 Ų130143.9 Ų143.970%0.69574%0.738SS**  trans64.2154155.7-64.9-15.3000119.7
51L25.9Very low25.4Very low145 Ų145144 Ų14476%0.75974%0.735SS**  cis-123.8138.6-6.9-79.595.7000107.9
52Q25.3Very low25.5Very low176 Ų176143 Ų14382%0.82274%0.736SS**  70.6101.867.6-167.21794.900115.2
53L25.8Very low25.6Very low174 Ų174145.2 Ų145.291%0.91174%0.741SS**  trans-146.2141.3160.2-154.5146.6000108.9
54S27.3Very low25.5Very low97 Ų97145.3 Ų145.368%0.67874%0.737SS**  trans-98.1122.6-157.452.60000116
55I24.8Very low25.6Very low134 Ų134147.9 Ų147.969%0.68774%0.742SS**  39.8114.9124.6-54.8172.5000117.4I57I55-I57 HydrophobicContact CG2-CD1 4.29Å; I55-I57 HydrophobicContact CG2-CG1 3.45Å; I55-I57 VanDerWaalsContact CG2-CG1 3.45Å
56N23.8Very low25.5Very low171 Ų171152.4 Ų152.491%0.91475%0.752SS**  trans-115.1139.6134.8-105.3-30.2000107.5
57I23.5Very low25.4Very low132 Ų132154.9 Ų154.968%0.67776%0.756SS**  trans-91.6112.9-166.6-57174.5000111.1I55I55-I57 HydrophobicContact CG2-CD1 4.29Å; I55-I57 HydrophobicContact CG2-CG1 3.45Å; I55-I57 VanDerWaalsContact CG2-CG1 3.45Å
58F23.8Very low25.2Very low155 Ų155154 Ų15468%0.6875%0.754SS**  trans-123.4133.4149-107.4-89.4000108.3S60F58-S60 PolarHBondContact O-N 2.89Å; F58-S60 VanDerWaalsContact O-N 3.14Å
59H23.7Very low25Very low146 Ų146154.9 Ų154.968%0.67675%0.754SS**  trans-93.372.6-158-147.9-68.2000112.7Q61H59-Q61 PolarHBondContact CE1-OE1 3.46Å
60S26.2Very low25.1Very low109 Ų109156.4 Ų156.476%0.76276%0.76SS**  trans-94.2119.7164.353.70000110.8F58F58-S60 PolarHBondContact O-N 2.89Å; F58-S60 VanDerWaalsContact O-N 3.14Å
61Q26.5Very low25Very low145 Ų145158.6 Ų158.668%0.67876%0.764SS**  trans-145.7139.2173.5-73.9-175.5-15.600108.6H59H59-Q61 PolarHBondContact CE1-OE1 3.46Å
62N27.7Very low25Very low151 Ų151163 Ų16381%0.80777%0.77SS**  cis-150.6149.2-13.5-120.6-8.4000109
63D26.3Very low25Very low132 Ų132161 Ų16171%0.70676%0.764SS**  trans-109.8148.8-175.9-146.2-2.4000110.3
64Y24.9Very low25.1Very low189 Ų189161.3 Ų161.374%0.74176%0.76SS**  trans42.5127.8174.1-67.8-90.6000120.6
65Y24.5Very low24.9Very low210 Ų210161.9 Ų161.982%0.82477%0.765SS**  164.6129.9111.1-98.9-76.7000110.6
66Y25.7Very low25Very low230 Ų230162.5 Ų162.590%0.90277%0.774SS**  -171.9138.7118.4-112.8-76.6000111.1
67Y23Very low25.1Very low208 Ų208163.4 Ų163.482%0.81677%0.77SS**  trans-102.2162.6176.7-128.9-93.4000110.4
68C22.7Very low25.3Very low94 Ų94169 Ų16964%0.63578%0.783SS**  trans61.3105.5167.6-67.70000118.1
69N23.4Very low25.5Very low134 Ų134169.8 Ų169.872%0.71779%0.789SS**  168.2130.692.1-85.8-55.4000112
70Y26.4Very low25.7Very low222 Ų222170.3 Ų170.387%0.87180%0.795SS**  -176.1143.9100.7-113.2-80.7000113.9
71F23.5Very low25.7Very low176 Ų176173.5 Ų173.577%0.77280%0.798SS**  trans-78.5137.7175.4-98.3-112.5000113.3I73F71-I73 HydrophobicContact CD1-CD1 3.98Å; F71-I73 HydrophobicContact CD1-CG1 4.09Å
72R26.5Very low25.7Very low239 Ų239171.6 Ų171.690%0.90280%0.8SS**  trans-170.1107.2142.2-108.1166.4177.3164.7-0.4107.9
73I24.8Very low25.8Very low134 Ų134171.9 Ų171.969%0.68780%0.8SS**  4985.365.7-47.2179.4000111.9F71F71-I73 HydrophobicContact CD1-CD1 3.98Å; F71-I73 HydrophobicContact CD1-CG1 4.09Å
74E27Very low25.8Very low179 Ų179170.5 Ų170.584%0.83680%0.798SS**  -149.196.5127.7-138.4174.1-129.600113.2
75S24.8Very low26Very low110 Ų110167.4 Ų167.477%0.76980%0.795SS**  trans-146.9152.8157-88.50000108
76V25.6Very low26.2Very low146 Ų146166 Ų16689%0.88579%0.793SS**SBendtrans65.968.7-169.2-163.20000114
77K27.3Very low26.4Very low191 Ų191159.5 Ų159.583%0.8378%0.781SS**  trans-147.640.6152.4-127.9170.3-171.6176.90116.5Q79K77-Q79 PolarHBondContact O-N 3.38Å
78R26.6Very low26.5Very low249 Ų249153.4 Ų153.494%0.9476%0.763SS**  trans-94.269.5160.7-78.8-165.7179.4-161.6-0111.7
79Q27.9Very low26.9Very low172 Ų172155.6 Ų155.680%0.80477%0.768SS**  trans-162.3147.6159.4-114.1167.312.100110.9K77K77-Q79 PolarHBondContact O-N 3.38Å
80L27.6Very low26.9Very low156 Ų156154.7 Ų154.782%0.81777%0.772SS**  trans64.378.3165.7-62.9164.7000117.7
81H27Very low26.8Very low177 Ų177154.5 Ų154.582%0.81977%0.77SS**  25.6143.8119.5-84.1-98.4000121.8
82S27.1Very low26.9Very low104 Ų104153.1 Ų153.173%0.72777%0.771SS**  trans62.1118.9154.364.70000116.4
83I29Very low26.9Very low158 Ų158149 Ų14981%0.8176%0.76SS**  -161.114067.8-82.3155.8000108.9
84P26.9Very low26.8Very low102 Ų102151.5 Ų151.566%0.66277%0.766SS**  trans-97.5149.6178.236-32.6000113.6
85N28.3Very low26.8Very low124 Ų124149.1 Ų149.166%0.66376%0.759SS**  166.3149.3124-96.6-76.9000114.1
86K28.4Very low26.9Very low180 Ų180151.4 Ų151.478%0.78376%0.762SS**  trans41.7127140.2-61.5165.2-175.8174.80118.2
87S30.1Very low26.8Very low95 Ų95150 Ų15066%0.66475%0.753SS**  cis173.8174.836.439.10000111.9
88N26.5Very low26.8Very low79 Ų79150.4 Ų150.442%0.42275%0.751SS.*  trans-31.5140.2168.7-66.1-2.2000115.8K237N88-K237 PolarHBondContact ND2-NZ 3.03Å; N88-K237 VanDerWaalsContact ND2-NZ 3.11Å; N88-K237 VanDerWaalsContact OD1-CD 3.28Å; N88-K237 WeakPolarHBondContact OD1-CD 3.34Å; N88-K237 WeakPolarHBondContact OD1-CE 3.21Å; N88-K237 PolarHBondContact OD1-NZ 2.94Å; N88-K237 VanDerWaalsContact OD1-NZ 3.16Å
89N29.5Very low26.8Very low141 Ų141148.3 Ų148.375%0.75474%0.743SS**  -159155.494.6-93-16.8000112.2
90S25.1Very low26.6Very low114 Ų114149.2 Ų149.280%0.79775%0.745SS**  trans-71.4135.2-179.844.10000111.6
91W24.5Very low26.7Very low218 Ų218146.2 Ų146.283%0.82673%0.734SS**  trans-125.5119.8162.2-82.278.9000108.9F93W91-F93 HydrophobicContact CE3-CD2 4.46Å; W91-F93 AromaticContact CE3-CE2 3.83Å; W91-F93 HydrophobicContact CE3-CE2 3.83Å; W91-F93 HydrophobicContact CZ3-CE2 4.41Å
92N24.8Very low26.6Very low148 Ų148145.7 Ų145.779%0.79173%0.733SS**  trans-102.2109.4-177.3-175.8-2.5000108.2
93F26.9Very low26.6Very low153 Ų153146.5 Ų146.567%0.67173%0.733SS**  trans-110.468.1-175.8-104.4-78.8000112.6W91 N95W91-F93 HydrophobicContact CE3-CD2 4.46Å; W91-F93 AromaticContact CE3-CE2 3.83Å; W91-F93 HydrophobicContact CE3-CE2 3.83Å; W91-F93 HydrophobicContact CZ3-CE2 4.41Å; F93-N95 PolarHBondContact O-N 2.91Å
94K23Very low26.5Very low186 Ų186145.9 Ų145.981%0.80973%0.73SS**  trans-73.7104.3137.5-80.6-172175.9-176.10107.2
95N26Very low26.4Very low129 Ų129146.4 Ų146.469%0.6973%0.728SS**  trans162.2109149-86.2-16.4000110.5F93F93-N95 PolarHBondContact O-N 2.91Å
96L26.8Very low26.3Very low158 Ų158149.4 Ų149.483%0.82774%0.735SS**  trans-158.891.9147.7-116.6162.9000108.9Y98L96-Y98 HydrophobicContact CD2-CD2 4.16Å; L96-Y98 HydrophobicContact CD2-CE2 4.37Å
97T23.9Very low26.3Very low116 Ų116143.9 Ų143.971%0.71273%0.729SS**  trans-120111.2-176.3-53.20000109.5
98Y27.2Very low26.2Very low199 Ų199146.1 Ų146.178%0.7873%0.734SS**  trans-141.6111.7166.6-77.8-85.5000106.6L96L96-Y98 HydrophobicContact CD2-CD2 4.16Å; L96-Y98 HydrophobicContact CD2-CE2 4.37Å
99R25.4Very low26.2Very low205 Ų205148.3 Ų148.377%0.77474%0.744SS**  71.9105.575.7-74.1-173.8168.6-169.5-3.4112
100F24.6Very low26.1Very low191 Ų191148.3 Ų148.384%0.83874%0.744SS**  74.4150.780.4-91.7-85.6000111.8
101P30.2Very low26Very low93 Ų93148.6 Ų148.660%0.60474%0.735SS**  cis-140.2179.41143.7-25.6000117.9
102E24.8Very low26.1Very low167 Ų167147.7 Ų147.778%0.7874%0.737SS**  trans51151.9141.3-69.8145.1-148.200121.1
103V27Very low26.1Very low121 Ų121146.6 Ų146.673%0.73373%0.73SS**  -160.5140.556.1159.90000111.8
104L26.3Very low26.1Very low145 Ų145146.5 Ų146.576%0.75974%0.735SS**  trans17.2144.1146.7-47.2172.8000119.7
105N25.3Very low26.2Very low113 Ų113143.1 Ų143.160%0.60473%0.726SS**  cis-172.7-166.83.5-113.88.5000107.8
106F27Very low26.2Very low187 Ų187143.9 Ų143.982%0.8273%0.725SS**  cis-161.3141.85.5-126.1-41000110.1
107G27.2Very low26Very low63 Ų63145.4 Ų145.465%0.64973%0.725SS**  trans71.4143.8152.700000120.1
108N27.7Very low26.2Very low143 Ų143144.9 Ų144.977%0.76572%0.724SS**  cis-151.3129-0.6-89.2-24.7000112.3
109I26.6Very low26Very low124 Ų124144.3 Ų144.364%0.63673%0.726SS**  52129.7123.7-56.5165.1000118.1I111I109-I111 HydrophobicContact CG2-CD1 4.48Å
110N27.2Very low26Very low142 Ų142140.6 Ų140.676%0.75972%0.721SS**  cis-123144.315.9-70.4-80.4000110.5
111I24.6Very low26Very low119 Ų119137.6 Ų137.661%0.6171%0.714SS**  cis7595.447.6-54169000114.5I109 I113I109-I111 HydrophobicContact CG2-CD1 4.48Å; I111-I113 HydrophobicContact CG2-CD1 3.89Å
112K26.2Very low25.8Very low199 Ų199140.6 Ų140.687%0.86573%0.725SS**  177.7148.2123.9-96.9177.2-179.3-178.70111.2
113I25.2Very low26Very low125 Ų125139.7 Ų139.764%0.64172%0.724SS**  cis-176.3141.7-39.8-114166.3000108.4I111I111-I113 HydrophobicContact CG2-CD1 3.89Å
114I26Very low25.9Very low152 Ų152140.2 Ų140.278%0.77972%0.723SS**  trans66144.7161.5-78.1169.4000118
115D25.3Very low26Very low114 Ų114138.8 Ų138.861%0.6172%0.716SS**  cis-172.9166.2-27.7-136.3-14.2000112.2
116Q26Very low25.9Very low146 Ų146138 Ų13868%0.68272%0.715SS**  trans58.3122.3151.6-64.716353.200121
117F23Very low25.8Very low190 Ų190133.6 Ų133.683%0.83370%0.704SS**  67.3156.979-76.1-62.3000116.4
118P27.4Very low25.6Very low105 Ų105135.6 Ų135.668%0.68269%0.694SS**  cis-141.5163.3-29.839.2-20.5000117.7
119F23Very low25.6Very low186 Ų186136.9 Ų136.982%0.81669%0.69SS**  trans42.2141145.2-82-88000127.5
120N24.8Very low25.5Very low127 Ų127134.8 Ų134.868%0.67969%0.686SS**  trans94.3107136.6-90.3-8.3000125.3
121N25.1Very low25.4Very low129 Ų129134.9 Ų134.969%0.6969%0.687SS**  41.8119.7127.2-57.4-0.6000123.4
122N25.6Very low25.5Very low155 Ų155137.1 Ų137.183%0.82970%0.698SS**  176.3177.2103.4-96.3-34.9000114.3
123I28.8Very low25.6Very low149 Ų149132.9 Ų132.976%0.76469%0.693SS**  trans93.283.4163.2-46-179.2000117.9
124N26.5Very low25.6Very low131 Ų131135 Ų13570%0.70170%0.698SS**  49.3138.4122.3-607.1000124.4
125N27.2Very low25.6Very low115 Ų115132.2 Ų132.262%0.61569%0.688SS**  trans88.8115.3145.1-70.45.3000121.3
126T23.8Very low25.6Very low96 Ų96131.2 Ų131.259%0.58970%0.696SS**  trans54.793.1141.855.90000119
127V24.3Very low25.5Very low96 Ų96130.7 Ų130.758%0.58269%0.694SS**  trans-167.7119.8148.4122.60000110.2Y129 S286V127-Y129 HydrophobicContact CB-CD2 4.25Å; V127-Y129 HydrophobicContact CG1-CD2 3.86Å; V127-Y129 HydrophobicContact CG1-CG 4.44Å; V127-Y129 HydrophobicContact CG2-CD2 3.67Å; V127-Y129 HydrophobicContact CG2-CE2 3.86Å; V127-S286 PolarHBondContact N-OG 3.2Å; V127-S286 WeakPolarHBondContact O-CB 3.25Å
128K23.3Very low25.6Very low104 Ų104128.1 Ų128.145%0.45269%0.687SS.*  trans-93.998.1155-107.8-172.6-91.5163.70106.1T284 S285K128-T284 VanDerWaalsContact CB-CB 3.45Å; K128-T284 HydrophobicContact CB-CG2 3.81Å; K128-T284 HydrophobicContact CD-CG2 4.27Å; K128-T284 PolarHBondContact N-O 2.96Å; K128-T284 WeakPolarHBondContact O-CB 2.9Å; K128-S285 VanDerWaalsContact CE-N 3.3Å; K128-S285 WeakPolarHBondContact CE-O 3.42Å
129Y27.4Very low25.6Very low170 Ų170129.4 Ų129.467%0.66769%0.687SS**  trans-127.2125.1158.5-77.7-109.6000104.5V127V127-Y129 HydrophobicContact CB-CD2 4.25Å; V127-Y129 HydrophobicContact CG1-CD2 3.86Å; V127-Y129 HydrophobicContact CG1-CG 4.44Å; V127-Y129 HydrophobicContact CG2-CD2 3.67Å; V127-Y129 HydrophobicContact CG2-CE2 3.86Å
130S25.6Very low25.8Very low81 Ų81127.4 Ų127.457%0.56668%0.68SS**  cis65.1109.348.9880000112.7
131N24.8Very low26Very low144 Ų144127.1 Ų127.177%0.7767%0.674SS**  trans5269.7164.2-62.8-12000118.1
132I25.5Very low26Very low165 Ų165126.8 Ų126.885%0.84667%0.673SS**  trans-139127.1154-49.2176.7000107
133S28.3Very low26.2Very low110 Ų110124.1 Ų124.177%0.76966%0.662SS**  cis-105.3146.5-9.250.10000110.1
134F25.3Very low26Very low169 Ų169123 Ų12374%0.74166%0.662SS**  cis73.998.39.2-146.1-91.8000116.8
135V26.3Very low26Very low94 Ų94124 Ų12457%0.5766%0.66SS**  trans5856.5153.9-165.20000116.4
136A25.1Very low25.9Very low93 Ų93124.7 Ų124.777%0.76966%0.663SS**SBendtrans-150.6113.4136.900000106
137Q24.9Very low26Very low136 Ų136129.4 Ų129.464%0.63668%0.676SS**SBendcis-120.394.325.7-59.8168.4-37.800113.1Q140Q137-Q140 HydrophobicContact CB-CB 4.25Å; Q137-Q140 HydrophobicContact CG-CB 4.5Å
138I24.9Very low26Very low136 Ų136128.5 Ų128.570%0.69767%0.671SS**SBendtrans-92.1131.3138.7-63.3179000104.2
139I26.6Very low26.1Very low132 Ų132130.6 Ų130.668%0.67769%0.687SS**  trans74.837-165.2-34.4-173.9000115.1H141I139-H141 HydrophobicContact CB-CB 4.39Å; I139-H141 HydrophobicContact CG2-CB 3.79Å
140Q28.5Very low25.9Very low143 Ų143129 Ų12967%0.66869%0.69SS**  -109.166.7111.3-87-165.8-27.300105.5Q137Q137-Q140 HydrophobicContact CB-CB 4.25Å; Q137-Q140 HydrophobicContact CG-CB 4.5Å
141H27.2Very low25.9Very low121 Ų121132.7 Ų132.756%0.5670%0.698SS**  40.695.678.5-122-112.4000113I139I139-H141 HydrophobicContact CB-CB 4.39Å; I139-H141 HydrophobicContact CG2-CB 3.79Å
142N27Very low25.8Very low123 Ų123132.9 Ų132.966%0.65870%0.698SS**SBendtrans39.9109.9130.1-60.3-45.8000116.5
143T27.8Very low25.7Very low99 Ų99131.7 Ų131.761%0.60769%0.689SS**  trans77.7109.7-175.581.60000111.3K145T143-K145 HydrophobicContact CG2-CB 3.98Å; T143-K145 HydrophobicContact CG2-CD 3.52Å; T143-K145 HydrophobicContact CG2-CG 3.79Å
144T25.6Very low25.6Very low124 Ų124133.1 Ų133.176%0.76169%0.687SS**  cis-73.814022.251.90000115.6
145K26.5Very low25.5Very low153 Ų153131.3 Ų131.367%0.66568%0.681SS**  cis47.4133.2-5.6-61.8-162.6-162.1171.40119.1T143T143-K145 HydrophobicContact CG2-CB 3.98Å; T143-K145 HydrophobicContact CG2-CD 3.52Å; T143-K145 HydrophobicContact CG2-CG 3.79Å
146L25.7Very low25.4Very low130 Ų130133.5 Ų133.568%0.68169%0.685SS**  trans4484.5143.2-60.8165.7000116T148L146-T148 VanDerWaalsContact C-N 3.33Å; L146-T148 WeakPolarHBondContact O-CG2 3.28Å
147F24.4Very low25.3Very low194 Ų194136.5 Ų136.585%0.85168%0.683SS**  -84.390.3120.4-99.3-99.7000105.2
148T25.8Very low25.3Very low78 Ų78136.5 Ų136.548%0.47969%0.685SS.*  66.9106.783.662.50000111.5L146L146-T148 VanDerWaalsContact C-N 3.33Å; L146-T148 WeakPolarHBondContact O-CG2 3.28Å
149N24.5Very low25.2Very low147 Ų147133.3 Ų133.379%0.78668%0.679SS**  53.675.275.5-69.40.7000112.6
150N24.1Very low25Very low138 Ų138133.9 Ų133.974%0.73868%0.679SS**  trans-143.1136.1147.8-87.2-30.5000105.6
151Q24Very low24.9Very low157 Ų157135.4 Ų135.473%0.73469%0.686SS**SBendcis-165.8117.3-13.8-139.6175.6-8.300104.4
152L24Very low24.8Very low148 Ų148134.1 Ų134.178%0.77569%0.69SS**  164.8123.2100.2-85.4158.7000104.4
153H23.3Very low24.8Very low140 Ų140134 Ų13465%0.64869%0.693SS**  90.1145.276.6-173.169.9000112.5
154L26Very low24.7Very low140 Ų140136.1 Ų136.173%0.73370%0.701SS**  trans71.6128.9-165.2-61.1142.3000115.3
155E22.1Very low24.8Very low132 Ų132134.3 Ų134.362%0.61769%0.694SS**  cis166161-29.6-106.5179.716800106.4
156H24.9Very low24.8Very low140 Ų140129.9 Ų129.965%0.64869%0.692SS**  trans67.2123.6154.4-86.5-127.2000120.5
157Q23.3Very low24.8Very low155 Ų155131 Ų13172%0.72470%0.696SS**  trans69.7135.7138.9-62.7170.9-6800117.9
158M24Very low24.7Very low137 Ų137126.4 Ų126.468%0.67569%0.689SS**  cis-142.5150.2-8.2-98.3153.274.800106
159A23.6Very low24.7Very low69 Ų69128 Ų12857%0.5770%0.703SS**  6013663.600000112.7
160E23.5Very low24.7Very low144 Ų144129.3 Ų129.367%0.67370%0.704SS**  trans57.9158.6-176.7-68.787.5-112.800114
161E25.6Very low24.7Very low175 Ų175130.8 Ų130.882%0.81871%0.711SS**  cis-167.5166.5-7.3-106163.7-174.600103.7
162S26Very low24.6Very low93 Ų93133.3 Ų133.365%0.6572%0.715SS**  cis-164.7157.7-9.853.20000104.7
163V26.2Very low24.8Very low120 Ų120131.3 Ų131.373%0.72771%0.712SS**  51.5115.157.1-173.10000109.3
164D26Very low24.8Very low144 Ų144130.1 Ų130.177%0.7771%0.714SS**  cis-159.5-171.934.3-131.1-25.2000107.8
165S26.5Very low24.7Very low87 Ų87131 Ų13161%0.60871%0.712SS**  cis-149.7170.4-6.446.80000106.6
166G26.7Very low24.8Very low60 Ų60129 Ų12962%0.61971%0.713SS**  70140.252.300000110
167I25.6Very low24.9Very low152 Ų152129.5 Ų129.578%0.77972%0.72SS**  cis-158.6127.528.7-93.1150.3000106.1
168S24Very low25Very low99 Ų99131 Ų13169%0.69273%0.727SS**  68124.877.6-52.30000115.9
169S25.4Very low25.1Very low110 Ų110130.6 Ų130.677%0.76973%0.733SS**  trans177.1107.3142.927.70000107.8
170E23.4Very low25.2Very low176 Ų176132.5 Ų132.582%0.82274%0.742SS**  76.8126.470-72.8-174.6159.900114.6
171L23.8Very low25.4Very low169 Ų169130.6 Ų130.689%0.88575%0.745SS**  -175.6135.6108.3-92.7162000112.2
172Y23.2Very low25.5Very low209 Ų209129.1 Ų129.182%0.8274%0.742SS**  trans-97.1169.6175.6-98.2-84000110.3T174Y172-T174 HydrophobicContact CD1-CG2 4.22Å
173P27.2Very low25.7Very low107 Ų107131.2 Ų131.270%0.69575%0.746SS**  -136.817060.1233.7000114
174T23.6Very low25.6Very low114 Ų114132.3 Ų132.370%0.69975%0.747SS**  cis63.8146.148.680.70000114.3Y172Y172-T174 HydrophobicContact CD1-CG2 4.22Å
175K24.7Very low25.8Very low158 Ų158131.7 Ų131.769%0.68774%0.743SS**  cis-16715616.9-151.3-175.4-176.8-173.70111.9
176S24.8Very low25.9Very low91 Ų91135.3 Ų135.364%0.63675%0.75SS**  trans46.3175.5145.852.50000123.2
177D25Very low25.9Very low151 Ų151138 Ų13881%0.80775%0.749SS**  cis-171.2154.2-48.8-92.9-57.5000108.7
178Q26.3Very low25.8Very low185 Ų185138.5 Ų138.586%0.86475%0.749SS**  trans174.3148.6164-104.217537.900111.2
179T26.2Very low26Very low129 Ų129142 Ų14279%0.79175%0.751SS**  cis-160.5171.8-22.15.40000109.7
180S24.8Very low26.2Very low110 Ų110145.2 Ų145.277%0.76976%0.759SS**  trans-106.1164.2-171.754.40000116.1
181S29.1Very low26.3Very low104 Ų104146.4 Ų146.473%0.72777%0.765SS**  trans163.5159.5158.639.20000109.6
182N27.9Very low26.6Very low144 Ų144141.9 Ų141.977%0.7776%0.758SS**  cis-163.2171.8-23.9-86.6-21.8000105.5
183L29.1Very low26.9Very low137 Ų137138.3 Ų138.372%0.71775%0.753SS**  cis-122.41778.2-8590.4000109.2
184N24.7Very low26.9Very low143 Ų143141.6 Ų141.677%0.76576%0.757SS**  59.813252.6-51-29.8000114.4
185I30Very low27.1Very low131 Ų131142.9 Ų142.967%0.67276%0.759SS**  -165.7141.668.5-98.3175.8000112.6
186E28Very low27.4Very low162 Ų162140.5 Ų140.576%0.75775%0.753SS**  trans58.2158.2153.4-71.6-173.7131.500122.3
187L26.8Very low27.5Very low117 Ų117145.4 Ų145.461%0.61376%0.758SS**  cis-153.6124-8.8-107.4159.3000105.3
188Q24.5Very low27.5Very low163 Ų163145 Ų14576%0.76276%0.756SS**  55.4106.773.2-140.9-165.562.100116.9
189K28.3Very low27.4Very low173 Ų173143.4 Ų143.475%0.75275%0.752SS**  trans149.4117.3135.8-83.3161.8-175.3171.60114
190L29.3Very low27.4Very low177 Ų177141 Ų14193%0.92775%0.745SS**  177.1101.5129.9-99.6166.4000110.1
191E25.8Very low27.4Very low201 Ų201142 Ų14294%0.93974%0.741SS**  trans-90.1156.4167.2-61.5174.1104.200110.1
192G28.7Very low27.1Very low73 Ų73143.4 Ų143.475%0.75374%0.74SS**  trans-174.181.3178.100000116.2
193N29.5Very low26.9Very low134 Ų134144.3 Ų144.372%0.71774%0.74SS**  trans43.5113.4161.6-70.2-37.6000119
194K28.4Very low26.9Very low177 Ų177142.5 Ų142.577%0.7774%0.736SS**  71.5151.769.5-71.2-177.1-171.6169.80114.6
195N28.2Very low26.9Very low140 Ų140141 Ų14175%0.74973%0.732SS**  trans82.2140.5165.5-58.2-25.2000115.6
196I29.2Very low26.6Very low109 Ų109140.9 Ų140.956%0.55973%0.732SS**  cis-153.8143.7-1.6-127.1165.5000112.6
197R27.6Very low26.4Very low194 Ų194139.6 Ų139.673%0.73273%0.731SS**  trans51.5124.4157.3-64.7161.3-169.2146.72.5118.5
198N24.7Very low26.3Very low143 Ų143142.7 Ų142.777%0.76574%0.739SS**  76.7148.753.9-66.5-2.4000114.3
199L25.2Very low26.2Very low151 Ų151141.3 Ų141.379%0.79174%0.736SS**  trans76.8149.2168.6-59.4149.3000114.7L201L199-L201 HydrophobicContact CD2-CD1 4.21Å
200A26.1Very low26.1Very low78 Ų78141.6 Ų141.665%0.64574%0.74SS**  cis-142.4136.7-100000110.5
201L24.9Very low25.8Very low132 Ų132140.2 Ų140.269%0.69173%0.733SS**  6810898.9-56.1177.7000113.7L199L199-L201 HydrophobicContact CD2-CD1 4.21Å
202L22.4Very low25.8Very low133 Ų133136.5 Ų136.570%0.69673%0.727SS**  65.6114.997.4-64.1-177.5000111.7
203Q24.4Very low25.5Very low163 Ų163138 Ų13876%0.76272%0.724SS**  123.9-179.675.7-107.6-176.6-10.900108.6
204P27.6Very low25.3Very low98 Ų98139.2 Ų139.264%0.63673%0.725SS**  cis-133.3-148.3-26.832.1-9.2000110.4
205V24.8Very low25.2Very low112 Ų112136 Ų13668%0.67972%0.717SS**  trans64106.9142157.10000116.8
206D23.3Very low25.1Very low128 Ų128137.2 Ų137.268%0.68472%0.717SS**  82.6133.265.8-72.1-46.5000114.5
207N24.1Very low24.9Very low136 Ų136136.5 Ų136.573%0.72772%0.722SS**  trans68.8159.7158.8-60.9-46.1000120
208F25Very low24.7Very low181 Ų181137.5 Ų137.579%0.79473%0.727SS**  trans63.5121.6177.3-57.5-84.2000115.1
209I22.6Very low24.8Very low135 Ų135136.2 Ų136.269%0.69272%0.724SS**  70.6127.554.8-59.9169.4000111.8
210H25.7Very low24.9Very low178 Ų178137.1 Ų137.182%0.82473%0.725SS**  trans73.2117.8174.1-79.1-61.6000119.6
211N23.1Very low24.7Very low148 Ų148138.3 Ų138.379%0.79173%0.727SS**  trans-36.7144.5139.9-95.4-17.4000111.6
212P27.2Very low24.8Very low124 Ų124137.3 Ų137.381%0.80573%0.727SS**  -147.9-178.479.840.5-23000116.6
213C22.6Very low25.1Very low103 Ų103139.2 Ų139.270%0.69673%0.729SS**  trans-81.7-178-178.8-49.30000114.1
214H25.2Very low25.3Very low161 Ų161136.5 Ų136.575%0.74572%0.724SS**  trans93.9118.4148.9-76.5-64.8000121.8
215N24.6Very low25.4Very low110 Ų110138.9 Ų138.959%0.58873%0.731SS**  99.1146.1119-79.27.3000122.9
216H27.6Very low25.5Very low165 Ų165138 Ų13876%0.76473%0.73SS**  trans72.4148152.7-61-30.4000117.9
217S25Very low25.7Very low93 Ų93139.9 Ų139.965%0.6574%0.735SS**  cis-171.7136-1348.30000114.3
218Y23.3Very low25.8Very low216 Ų216139.9 Ų139.985%0.84774%0.739SS**  trans57.9160.1134.3-88.5-94.4000125.2
219T27.2Very low25.9Very low115 Ų115134.3 Ų134.371%0.70673%0.733SS**  trans66.5152157.954.20000119.5
220E25.7Very low26Very low171 Ų171136.7 Ų136.780%0.79974%0.739SS**  cis-161.5134.7-22.5-110-179.1141.400107.9
221C22.7Very low26Very low102 Ų102135.2 Ų135.269%0.68974%0.736SS**  77.1150.195.1-159.10000117.6
222T27.2Very low26.1Very low111 Ų111136.2 Ų136.268%0.68174%0.736SS**  trans79.2149.8172.577.80000117.5
223K28.4Very low25.9Very low174 Ų174137.3 Ų137.376%0.75774%0.735SS**  cis-161.8163.72.9-125.2159.4-160.3161.90113.7
224T29.7Very low26.1Very low105 Ų105140 Ų14064%0.64474%0.737SS**  trans64.4121.3149.647.60000124.4
225N28Very low26Very low148 Ų148139.9 Ų139.979%0.79174%0.735SS**  73.3143.7124.9-62.51.9000120.9
226S28.5Very low26.1Very low94 Ų94144.6 Ų144.666%0.65775%0.746SS**  cis-169.2167.6-5.343.20000114
227H27.5Very low26Very low168 Ų168141.7 Ų141.778%0.77873%0.731SS**  trans85.7107.1161.9-77.4-80000121.2
228V25.9Very low26.1Very low136 Ų136144.7 Ų144.782%0.82474%0.74SS**  trans59.4129.5134.9-175.70000117.6
229G26Very low26.4Very low64 Ų64139.9 Ų139.966%0.6674%0.735SS**  cis137.2154.21500000108
230F24.7Very low26.3Very low185 Ų185142 Ų14281%0.81174%0.742SS**  cis-160.6143.815.3-144.9-120.9000107.8
231L26.8Very low26.4Very low146 Ų146141.2 Ų141.276%0.76474%0.742SS**  trans57.1117.1169.4-51.7174000116.9
232Q24.2Very low26.6Very low170 Ų170143 Ų14379%0.79475%0.745SS**  cis72.1123.929.3-155.41745.700115.6
233N24Very low26.6Very low147 Ų147146.3 Ų146.379%0.78675%0.746SS**  trans6.5129.3167.7-59.8-5.6000120
234E25.4Very low26.3Very low159 Ų159145.7 Ų145.774%0.74375%0.751SS**  trans-159.7169.1131-94.1-113.480.600110.9
235F24.9Very low26.2Very low159 Ų159150.5 Ų150.570%0.69776%0.758SS**  trans66.183.8166.4-57.7-59.2000121.6
236Y24.7Very low26Very low208 Ų208152.5 Ų152.582%0.81676%0.76SS**  -39.5151.8125.3-94.7-103.4000113.2
237K26Very low25.8Very low105 Ų105155.5 Ų155.546%0.45777%0.767SS.*  trans82.7107.9173.3-55.9152145.1166.60116.9N88N88-K237 PolarHBondContact ND2-NZ 3.03Å; N88-K237 VanDerWaalsContact ND2-NZ 3.11Å; N88-K237 VanDerWaalsContact OD1-CD 3.28Å; N88-K237 WeakPolarHBondContact OD1-CD 3.34Å; N88-K237 WeakPolarHBondContact OD1-CE 3.21Å; N88-K237 PolarHBondContact OD1-NZ 2.94Å; N88-K237 VanDerWaalsContact OD1-NZ 3.16Å
238N27.3Very low25.7Very low156 Ų156151.5 Ų151.583%0.83475%0.749SS**  -175.6126.895.6-93.4-39.3000110.9
239P29.1Very low25.8Very low114 Ų114148.5 Ų148.574%0.7473%0.734SS**  trans-87.7114.6164.632.4-28000110.1
240N25.2Very low25.9Very low160 Ų160148.3 Ų148.386%0.85673%0.726SS**  trans168.7170.1156.7-91-29.1000110.5
241L27.8Very low25.9Very low154 Ų154146.2 Ų146.281%0.80672%0.723SS**  trans79.871.7169-62158.8000117.1
242D27.1Very low25.9Very low140 Ų140147.3 Ų147.375%0.74973%0.725SS**  trans-20.9137.6131.9173.523000115D244D242-D244 PolarHBondContact OD1-N 3.47Å
243Y26.9Very low25.9Very low181 Ų181143.6 Ų143.671%0.7172%0.718SS**  trans-155.256175.8-122.4-75.8000114.4R245Y243-R245 HydrophobicContact CD1-CB 4.08Å; Y243-R245 HydrophobicContact CE1-CB 4.29Å; Y243-R245 PolarHBondContact O-N 3.14Å
244D22.1Very low26Very low161 Ų161146.8 Ų146.886%0.86172%0.72SS**  trans-70.153.2171.1-163.212.9000112.8D242D242-D244 PolarHBondContact OD1-N 3.47Å
245R27.3Very low25.9Very low206 Ų206144.8 Ų144.878%0.77772%0.719SS**  trans-160.348.7-160.2-138.7176-162.8-1786.1117.6Y243Y243-R245 HydrophobicContact CD1-CB 4.08Å; Y243-R245 HydrophobicContact CE1-CB 4.29Å; Y243-R245 PolarHBondContact O-N 3.14Å
246F24.2Very low26Very low189 Ų189147 Ų14783%0.82973%0.729SS**  trans-138.497.2162.8-135.9-83.3000114.3
247L25.3Very low26.1Very low157 Ų157143 Ų14382%0.82272%0.722SS**  trans-82.1152.2-178.1-61.2155.7000111.6
248H25.2Very low26.1Very low84 Ų84145.1 Ų145.139%0.38974%0.738SS.*  trans-126174.6-163.131.793.7000114.2L303 N304 C305 A306H248-L303 PolarHBondContact ND1-O 3.32Å; H248-N304 WeakPolarHBondContact ND1-CA 3.34Å; H248-N304 PolarHBondContact ND1-N 3.49Å; H248-C305 VanDerWaalsContact C-N 3.26Å; H248-C305 CarbonylContact O-C 3.55Å; H248-C305 VanDerWaalsContact O-CA 3.25Å; H248-C305 WeakPolarHBondContact O-CA 3.35Å; H248-C305 WeakPolarHBondContact O-CB 3.38Å; H248-C305 PolarHBondContact O-N 3.5Å; H248-A306 PolarHBondContact O-N 2.87Å
249S26.6Very low26.4Very low74 Ų74142.7 Ų142.752%0.51773%0.731SS.*  trans-150.9123.5-157.2-62.40000118.1N304S249-N304 VanDerWaalsContact C-CB 3.49Å; S249-N304 PolarHBondContact N-OD1 3.42Å; S249-N304 PolarHBondContact O-ND2 3.13Å; S249-N304 PolarHBondContact O-OD1 2.9Å
250A28.7Very low26.3Very low60 Ų60146.6 Ų146.650%0.49674%0.736SS.*  trans77.3147.6165.300000121.2N304 C305A250-N304 WeakPolarHBondContact O-CB 2.92Å; A250-N304 VanDerWaalsContact O-CG 3.3Å; A250-N304 PolarHBondContact O-ND2 2.83Å; A250-C305 PolarHBondContact N-O 3.5Å
251D25.8Very low26.6Very low140 Ų140147.2 Ų147.275%0.74974%0.738SS**  trans-147157.6-174.7170.236.9000109.1
252Q26.4Very low26.8Very low170 Ų170144.7 Ų144.779%0.79473%0.725SS**  trans161.1138.4149.2-94.117032.200117.5
253S24.2Very low27Very low92 Ų92143 Ų14364%0.64371%0.711SS**  trans67.6133.4143.474.10000119.6
254Y25.6Very low27.4Very low214 Ų214137.7 Ų137.784%0.83969%0.692SS**  cis-157.8171.349.9-109.8-86.2000112.7
255T22.8Very low28Very low117 Ų117137.1 Ų137.172%0.71868%0.684SS**  trans-135.6146.7-174.250.40000114.6
256F26.8Very low28.4Very low206 Ų206132.5 Ų132.590%0.90467%0.674SS**  trans-161.1162.6163.3-106-82.4000111.4
257N27.5Very low28.7Very low124 Ų124128.6 Ų128.666%0.66366%0.661SS**  -158.9151.9-77.5-129.8-27.4000110.7
258N26.9Very low29.1Very low148 Ų148124.2 Ų124.279%0.79164%0.643SS**  trans69.1158.3163.5-81.8-34.6000121.5
259P33Very low29.4Very low106 Ų106128.8 Ų128.869%0.68866%0.662SS**  trans-137.4-149.1-15142.4-20.4000113.9
260K27.8Very low29.7Very low195 Ų195134 Ų13485%0.84868%0.676SS**  trans98.487.6174-57.4172.4-178.5175.50115.8
261L31.4Very low29.7Very low173 Ų173136.6 Ų136.691%0.90668%0.676SS**  trans-155.1151.8142.5-108.9158.9000109.6K263L261-K263 PolarHBondContact O-N 3.12Å
262N32.3Very low29.8Very low101 Ų101139.6 Ų139.654%0.5468%0.683SS.*  trans-89.5110.3-148.3-130-26.2000113.8K264N262-K264 PolarHBondContact O-N 3.14Å
263K30.7Very low30Very low105 Ų105138.1 Ų138.146%0.45768%0.679SS.*THydrogen-bonded Turntrans-60.911.7179.4-90.4-179.2167-174.90115.8L261 Q1478 V1479L261-K263 PolarHBondContact O-N 3.12Å; K263-Q1478 PolarHBondContact NZ-O 2.91Å; K263-V1479 HydrophobicContact CD-CG1 4.32Å; K263-V1479 HydrophobicContact CD-CG2 4.08Å
264K34.5Very low30Very low69 Ų69141.6 Ų141.630%0.369%0.69SS.*THydrogen-bonded Turntrans-112.6-31-170-50.1-172.7179.7-164.20113.4N262 L536 E537N262-K264 PolarHBondContact O-N 3.14Å; K264-L536 HydrophobicContact CB-CB 4.44Å; K264-L536 HydrophobicContact CB-CD1 4.33Å; K264-L536 HydrophobicContact CD-CB 3.85Å; K264-L536 HydrophobicContact CD-CD1 3.5Å; K264-L536 VanDerWaalsContact CD-CD1 3.5Å; K264-L536 HydrophobicContact CD-CG 4.19Å; K264-L536 HydrophobicContact CG-CB 4.38Å; K264-L536 HydrophobicContact CG-CD1 3.64Å; K264-E537 IonicContact NZ-OE1 3.66Å; K264-E537 PolarHBondContact NZ-OE1 3.07Å; K264-E537 IonicContact NZ-OE2 3.75Å; K264-E537 PolarHBondContact NZ-OE2 2.95Å
265Q34.8Very low30.1Very low150 Ų150136.7 Ų136.770%0.70168%0.682SS**THydrogen-bonded Turntrans-93.6-21.8178.1-72175.4-21.800113.5S268Q265-S268 PolarHBondContact O-OG 3.05Å; Q265-S268 VanDerWaalsContact O-OG 3.13Å
266I35.3Very low30.2Very low109 Ų109135.8 Ų135.856%0.55968%0.681SS**Hα-helixtrans-72.7-38.7173.1-60.8174.8000110.1S268 K269 F270I266-S268 PolarHBondContact O-N 3.47Å; I266-K269 PolarHBondContact O-N 3.17Å; I266-F270 HydrophobicContact CG2-CD2 4.46Å
267L32Very low30.2Very low106 Ų106130.1 Ų130.156%0.55567%0.667SS**Hα-helixtrans-71.3-9179.6-117.174.5000114.9
268S32.3Very low30.1Very low65 Ų65132.9 Ų132.946%0.45567%0.673SS.*Hα-helixtrans-102.1-16.3177.958.90000114.3Q265 I266Q265-S268 PolarHBondContact O-OG 3.05Å; Q265-S268 VanDerWaalsContact O-OG 3.13Å; I266-S268 PolarHBondContact O-N 3.47Å
269K33.2Very low30Very low180 Ų180133.4 Ų133.478%0.78368%0.676SS**Hα-helixtrans-91.3-26.4173.5-78.2-169172.1-174.80114.2I266 K271I266-K269 PolarHBondContact O-N 3.17Å; K269-K271 PolarHBondContact O-N 3.2Å; K269-K271 VanDerWaalsContact O-N 3.15Å
270F31Very low29.6Very low184 Ų184132.9 Ų132.981%0.80768%0.675SS**SBendtrans-77.610.1-177.4-105.2-78.7000116I266I266-F270 HydrophobicContact CG2-CD2 4.46Å
271K29.4Very low29.5Very low114 Ų114127.2 Ų127.250%0.49667%0.665SS.*SBendtrans-120.629.7-167.7-134.6174.2-174.7-750115.9K269 S532 K533K269-K271 PolarHBondContact O-N 3.2Å; K269-K271 VanDerWaalsContact O-N 3.15Å; K271-S532 VanDerWaalsContact CE-O 3.32Å; K271-S532 WeakPolarHBondContact CE-O 3.3Å; K271-S532 PolarHBondContact NZ-O 3.13Å; K271-K533 HydrophobicContact CD-CB 4.18Å; K271-K533 WeakPolarHBondContact CD-O 3.39Å
272K29.1Very low29.2Very low204 Ų204129.5 Ų129.589%0.88767%0.667SS**SBendtrans-148.526.6-179.6-121.7-179.4-176.8-174.30115.7
273I29.1Very low28.9Very low139 Ų139132.1 Ų132.171%0.71368%0.677SS**  trans-126.4132.8176.1-60.7-179.2000109.6
274N24.6Very low28.7Very low164 Ų164130.7 Ų130.788%0.87768%0.677SS**  trans-90.4109.2173.3-82-16.1000110.4
275T28.3Very low28.5Very low111 Ų111130.5 Ų130.568%0.68168%0.684SS**  trans-158128.2163.441.80000105.5
276S24.3Very low28.4Very low99 Ų99125.2 Ų125.269%0.69266%0.664SS**  cis58.911223.8870000114.2
277S26Very low27.9Very low86 Ų86129.9 Ų129.960%0.60168%0.683SS**  trans88.1136.6-162.5-160.10000113.1
278F25.5Very low27.7Very low182 Ų182128.3 Ų128.380%0.79868%0.681SS**SBendtrans59.3115.7-161.5-54.3-87.8000113.3
279D24.9Very low27.6Very low159 Ų159130.9 Ų130.985%0.8569%0.694SS**SBendcis-101.9118.81.7-68.9-51.3000112.7
280S25.4Very low27.2Very low95 Ų95130.1 Ų130.166%0.66470%0.698SS**  trans-149.863169.562.40000108.2
281A25.3Very low27Very low77 Ų77126.5 Ų126.564%0.63670%0.696SS**  trans-148.940.4-165.900000113.8
282F25.3Very low26.8Very low220 Ų220128.8 Ų128.897%0.96571%0.712SS**SBendtrans-142.4108.5146.2-121.8-74.4000111
283E26.1Very low26.7Very low157 Ų157124 Ų12473%0.73470%0.7SS**  trans-96.6166.2-158.4-87.5-178.4142.700115.2S285E283-S285 PolarHBondContact O-N 3.16Å; E283-S285 VanDerWaalsContact O-N 3.12Å
284T27Very low26.7Very low74 Ų74121.8 Ų121.845%0.45470%0.697SS.*  trans-21.293.1152.739.20000119.2K128K128-T284 VanDerWaalsContact CB-CB 3.45Å; K128-T284 HydrophobicContact CB-CG2 3.81Å; K128-T284 HydrophobicContact CD-CG2 4.27Å; K128-T284 PolarHBondContact N-O 2.96Å; K128-T284 WeakPolarHBondContact O-CB 2.9Å
285S29.9Very low26.8Very low66 Ų66120.4 Ų120.446%0.46269%0.689SS.*  trans-158.7166.9132.341.80000110.8K128 E283K128-S285 VanDerWaalsContact CE-N 3.3Å; K128-S285 WeakPolarHBondContact CE-O 3.42Å; E283-S285 PolarHBondContact O-N 3.16Å; E283-S285 VanDerWaalsContact O-N 3.12Å
286S31.9Very low26.7Very low39 Ų39122.4 Ų122.427%0.27370%0.695SS.*  cis-179.6147.4-4947.90000105V127 S288V127-S286 PolarHBondContact N-OG 3.2Å; V127-S286 WeakPolarHBondContact O-CB 3.25Å; S286-S288 PolarHBondContact O-N 3.36Å
287E25.5Very low26.9Very low206 Ų206123.1 Ų123.196%0.96370%0.7SS**SBendtrans-58.4104.6-172.7-70.9178.9110.800113
288S28.2Very low26.9Very low73 Ų73122.2 Ų122.251%0.5170%0.704SS.*  trans-165.1139.2173.4-74.80000111.5S286S286-S288 PolarHBondContact O-N 3.36Å
289T28.9Very low26.9Very low120 Ų120118.6 Ų118.674%0.73670%0.701SS**  trans51.8111.6156.6440000120.1
290L26.6Very low26.9Very low164 Ų164121.1 Ų121.186%0.85970%0.701SS**  trans-60.1169.6150.1-69.3161.1000112.4
291S25.9Very low26.8Very low108 Ų108125.6 Ų125.676%0.75571%0.711SS**  trans78.1135.8173.676.50000116.3
292L25.1Very low26.8Very low161 Ų161130.6 Ų130.684%0.84372%0.718SS**SBendtrans66.287.9-159.2-54.5169.6000112.2
293V28Very low26.8Very low105 Ų105125.1 Ų125.164%0.63670%0.699SS**  cis-125.8103.637.51760000112.4N295 L296V293-N295 HydrophobicContact CG1-CB 4.19Å; V293-N295 PolarHBondContact O-N 2.94Å; V293-L296 HydrophobicContact CG1-CB 4.03Å; V293-L296 HydrophobicContact CG1-CD1 4.31Å; V293-L296 HydrophobicContact CG1-CG 3.99Å
294S27.6Very low26.8Very low92 Ų92120.6 Ų120.664%0.64368%0.679SS**SBendtrans-85.315.1163.449.80000113.1
295N27.1Very low26.6Very low135 Ų135120.5 Ų120.572%0.72268%0.681SS**SBendtrans-12316.5-171.4-76.5-19.3000114.5V293V293-N295 HydrophobicContact CG1-CB 4.19Å; V293-N295 PolarHBondContact O-N 2.94Å
296L26.3Very low26.3Very low152 Ų152119.9 Ų119.980%0.79668%0.68SS**SBendtrans-116.94.9163.9-76.8175.1000113.1V293 G298V293-L296 HydrophobicContact CG1-CB 4.03Å; V293-L296 HydrophobicContact CG1-CD1 4.31Å; V293-L296 HydrophobicContact CG1-CG 3.99Å; L296-G298 PolarHBondContact O-N 3.28Å
297S27.8Very low26Very low114 Ų114125.8 Ų125.880%0.79771%0.707SS**THydrogen-bonded Turntrans-71.2116.1143.4-177.50000107.1
298G26Very low25.9Very low67 Ų67123.5 Ų123.569%0.69170%0.696SS**THydrogen-bonded Turntrans144.5-1.9176.700000119L296L296-G298 PolarHBondContact O-N 3.28Å
299S26.2Very low25.7Very low106 Ų106125 Ų12574%0.74171%0.705SS**SBendtrans-155.184.2172.8-78.40000109.7
300Y24.5Very low25.4Very low213 Ų213127.5 Ų127.584%0.83571%0.705SS**SBend-139.87980.6-108.2-97000112.1L303Y300-L303 HydrophobicContact CD1-CD1 4.35Å; Y300-L303 HydrophobicContact CE1-CD1 3.78Å
301Q24Very low25.3Very low188 Ų188129.7 Ų129.788%0.87970%0.703SS**  trans-136.667.9168.2-129.9-170.41500111.4
302K24.7Very low25.1Very low182 Ų182129.7 Ų129.779%0.79170%0.703SS**  trans-172.464.3160-106.2159-173.9175.70111.2
303L25.1Very low25Very low106 Ų106126.4 Ų126.456%0.55569%0.694SS**  trans-144.2148.1164.3-76.1-174.8000110.3H248 Y300H248-L303 PolarHBondContact ND1-O 3.32Å; Y300-L303 HydrophobicContact CD1-CD1 4.35Å; Y300-L303 HydrophobicContact CE1-CD1 3.78Å
304N25.9Very low24.8Very low61 Ų61127.6 Ų127.633%0.32670%0.697SS.*  -159.3155-70.4-97-14.3000110.2H248 S249 A250H248-N304 WeakPolarHBondContact ND1-CA 3.34Å; H248-N304 PolarHBondContact ND1-N 3.49Å; S249-N304 VanDerWaalsContact C-CB 3.49Å; S249-N304 PolarHBondContact N-OD1 3.42Å; S249-N304 PolarHBondContact O-ND2 3.13Å; S249-N304 PolarHBondContact O-OD1 2.9Å; A250-N304 WeakPolarHBondContact O-CB 2.92Å; A250-N304 VanDerWaalsContact O-CG 3.3Å; A250-N304 PolarHBondContact O-ND2 2.83Å
305C22.9Very low24.7Very low73 Ų73131.2 Ų131.249%0.49370%0.701SS.*  trans-126.9-110.3176.2-52.10000110.6H248 A250H248-C305 VanDerWaalsContact C-N 3.26Å; H248-C305 CarbonylContact O-C 3.55Å; H248-C305 VanDerWaalsContact O-CA 3.25Å; H248-C305 WeakPolarHBondContact O-CA 3.35Å; H248-C305 WeakPolarHBondContact O-CB 3.38Å; H248-C305 PolarHBondContact O-N 3.5Å; A250-C305 PolarHBondContact N-O 3.5Å
306A24Very low24.5Very low53 Ų53131.2 Ų131.244%0.43870%0.701SS.*  trans49.789-165.700000112.8H248H248-A306 PolarHBondContact O-N 2.87Å
307I25.7Very low24.5Very low162 Ų162131 Ų13183%0.83170%0.701SS**  -158.3114.1103.3-91.3148.2000106.1
308Q23.5Very low24.4Very low158 Ų158134 Ų13474%0.73870%0.7SS**  60.4121.597.7-82.2-80.4-1200114.4
309P24.4Very low24.3Very low106 Ų106138.1 Ų138.169%0.68871%0.706SS**  trans-84.8143.5174.734.4-33.6000112.1
310K21.8Very low24.2Very low172 Ų172140.1 Ų140.175%0.74870%0.701SS**  trans174.3168.9148.6-96.8149.2-170.5172.60111.2
311Y24.5Very low24.3Very low210 Ų210139.1 Ų139.182%0.82470%0.702SS**  trans64.295.4177.1-52.2-72.2000113.1
312S21.9Very low24.3Very low107 Ų107135.3 Ų135.375%0.74869%0.686SS**  cis66.7129.732.9-161.30000115.1
313S22.9Very low24.4Very low93 Ų93129.5 Ų129.565%0.6568%0.678SS**  trans72.8145.5172.376.20000118.9
314N23.7Very low24.4Very low130 Ų130133.1 Ų133.170%0.69569%0.692SS**  trans73.2132.8159.3-53.3-29000118.4
315F25.2Very low24.4Very low167 Ų167139 Ų13973%0.73271%0.714SS**  cis-129.9143.1-10.6-93.5173.1000107.5
316N23.5Very low24.5Very low136 Ų136141.8 Ų141.873%0.72773%0.725SS**  5313281.5-81.3-20.7000115.1
317N25.7Very low24.6Very low147 Ų147147.1 Ų147.179%0.78674%0.738SS**  trans72128.6-171.9-44.7-33.7000113.1
318F26.2Very low24.6Very low178 Ų178145.5 Ų145.578%0.78173%0.731SS**  cis-121.410313.7-123.5-89.6000112.6
319N24.3Very low24.6Very low152 Ų152145.9 Ų145.981%0.81374%0.735SS**  trans-85.7159.1149.1-130-46.6000107.2
320K24.6Very low24.7Very low148 Ų148145.4 Ų145.464%0.64373%0.73SS**  trans64.292.4173-66.5172.5164.1-177.80117.7I322K320-I322 HydrophobicContact CB-CD1 3.81Å; K320-I322 HydrophobicContact CB-CG1 3.77Å; K320-I322 HydrophobicContact CD-CD1 4.04Å; K320-I322 HydrophobicContact CD-CG1 4.43Å; K320-I322 HydrophobicContact CG-CD1 3.99Å; K320-I322 HydrophobicContact CG-CG1 3.87Å
321F25.9Very low25Very low193 Ų193145.2 Ų145.285%0.84673%0.732SS**  -113.711992.3-97.2-97.2000105.2
322I24.9Very low25.3Very low108 Ų108142.6 Ų142.655%0.55473%0.732SS**  52.1108.656.3-50.1174.3000109.1K320K320-I322 HydrophobicContact CB-CD1 3.81Å; K320-I322 HydrophobicContact CB-CG1 3.77Å; K320-I322 HydrophobicContact CD-CD1 4.04Å; K320-I322 HydrophobicContact CD-CG1 4.43Å; K320-I322 HydrophobicContact CG-CD1 3.99Å; K320-I322 HydrophobicContact CG-CG1 3.87Å
323G25.7Very low25.9Very low60 Ų60141.8 Ų141.862%0.61972%0.724SS**  cis121.5173.216.200000109.6
324Q26Very low26.3Very low181 Ų181144 Ų14485%0.84673%0.729SS**  trans72.1122.3-164.6-45.4-178.618.600110.4
325K24.7Very low26.6Very low184 Ų184147 Ų14780%0.874%0.736SS**  73.4134.955.7-75.1-169.9172.9-177.50113.2
326N25.7Very low26.7Very low133 Ų133144.2 Ų144.271%0.71174%0.737SS**  trans72.4149.7165-57.7-33.4000116.1
327K26.1Very low26.8Very low165 Ų165144.7 Ų144.772%0.71774%0.738SS**  cis-171.5143.5-27.7-115.4177.6-174-175.90106.5
328N24.6Very low26.8Very low127 Ų127144.2 Ų144.268%0.67973%0.734SS**  trans61.7140.3155-57.510.7000118.9
329M24.7Very low26.7Very low167 Ų167143 Ų14382%0.82373%0.731SS**  trans68.5144.8151.5-63164.673.800116.8
330T27.1Very low26.7Very low95 Ų95141.3 Ų141.358%0.58372%0.722SS**  cis-155.7154.7-6.66.20000110.6
331E27.5Very low26.6Very low168 Ų168142.3 Ų142.379%0.78573%0.726SS**  trans47.5114.4142.4-67.7151.4-168.400121.4
332D31.5Very low26.5Very low156 Ų156142.3 Ų142.383%0.83472%0.722SS**  46.2168.4108.9-100.3-12.1000122.2
333P33Very low26.5Very low89 Ų89142.8 Ų142.858%0.57873%0.73SS**  cis-131.6165.7-29.434.6-19000113.3
334N30.8Very low26.4Very low141 Ų141145.4 Ų145.475%0.75474%0.738SS**  161.897.4125.7-86.2-55.2000115.3
335K30.1Very low26.5Very low192 Ų192144.1 Ų144.184%0.83574%0.736SS**  trans13.8127.7137.9-59.3166.4-178.1169.90118.9
336S27.9Very low26.7Very low109 Ų109143.6 Ų143.676%0.76273%0.734SS**  178.6144.2101.345.40000116
337I26.1Very low26.8Very low146 Ų146145.2 Ų145.275%0.74974%0.737SS**  trans78.199.3152.2-64.9156.9000120.2
338I25.1Very low26.8Very low137 Ų137142 Ų14270%0.70373%0.732SS**  trans6495.3133.7-54.2178.7000119.6
339Q23.9Very low26.8Very low153 Ų153142 Ų14272%0.71573%0.732SS**  42.2146.1108.3-60.2-177.4-95.100120.9
340D25Very low26.7Very low116 Ų116143.6 Ų143.662%0.6273%0.729SS**  cis-164.4149-10.2-92.8-23.6000106.2
341F22.5Very low26.5Very low168 Ų168148.1 Ų148.174%0.73774%0.736SS**  cis8012513.8-63.3-90.6000117.5
342Y24.4Very low26.4Very low193 Ų193147.4 Ų147.476%0.75774%0.738SS**  cis-165.4-164.7-17.2-141.4-128.7000109.6
343T24.1Very low26Very low119 Ų119147.4 Ų147.473%0.7374%0.735SS**  trans-33153.4176.349.50000122.2
344C23.8Very low25.7Very low114 Ų114151.1 Ų151.177%0.7775%0.75SS**  trans-40.3144.4161-171.40000117.7
345D29Very low25.3Very low154 Ų154153.9 Ų153.982%0.82476%0.758SS**  -164.3177.7117.3-149.9-9.1000112.7
346K28.8Very low25Very low174 Ų174148.2 Ų148.276%0.75775%0.754SS**  trans-117.4153.3179.3-60.3168.9-178.1167.20111.5
347Q26.5Very low24.9Very low166 Ų166152 Ų15278%0.77676%0.757SS**  164.8124.9109.8-88.1-161.927.500115.9
348T26Very low24.9Very low99 Ų99150.8 Ų150.861%0.60776%0.757SS**  trans65.7138.7135.667.90000124.3
349N25.5Very low25Very low125 Ų125152.2 Ų152.267%0.66876%0.764SS**  trans70.2145.6142.3-64.9-26.6000119.1
350R22.3Very low25.4Very low201 Ų201151.5 Ų151.576%0.75877%0.766SS**  cis-161.3162.1-6.2-114.8172-168.11790.6111.1
351Y21.7Very low25.7Very low190 Ų190150.5 Ų150.575%0.74577%0.766SS**  trans8.8123.5162.6-60-77.7000121.5
352N25.9Very low25.7Very low154 Ų154151.9 Ų151.982%0.82477%0.766SS**  -167.8127.5107.9-87.9-22.7000107.4
353M23.7Very low25.8Very low156 Ų156148.9 Ų148.977%0.76877%0.767SS**  54.186.760.2-69.6-62.2-16700113.6
354N25.9Very low25.7Very low166 Ų166149.6 Ų149.689%0.88876%0.762SS**  -165.6151124.5-97.7-23.4000112.9
355E23Very low25.6Very low200 Ų200153 Ų15394%0.93576%0.764SS**  trans-74154.9178.1-49.8169.613600111.4
356G24Very low25.8Very low72 Ų72151.8 Ų151.874%0.74276%0.762SS**  trans-159.419.5-166.300000121.6
357K25.5Very low25.8Very low189 Ų189149 Ų14982%0.82276%0.761SS**  trans49.6115.4156.5-63.9174.6179.7171.60120.4
358T25.4Very low25.7Very low121 Ų121149.5 Ų149.574%0.74276%0.764SS**  trans64137.4132.964.60000119.4
359L28.9Very low25.5Very low166 Ų166153.3 Ų153.387%0.86978%0.775SS**  cis-142.5115.549.5-89.3161.1000115.1
360N31Very low25.5Very low139 Ų139151 Ų15174%0.74378%0.78SS**  trans-50166.4139-136.95.6000109.8
361P32.3Very low25.7Very low95 Ų95147.4 Ų147.462%0.61778%0.78SS**  cis-151.2-162.341.144.9-20.9000114
362R22.5Very low25.9Very low197 Ų197145 Ų14574%0.74378%0.78SS**  cis-157.9148.28-148.2156.1-178.2137.30.2112H364R362-H364 PolarHBondContact NE-CD2 2.87Å; R362-H364 PolarHBondContact NE-NE2 3.5Å; R362-H364 VanDerWaalsContact NE-NE2 3.18Å
363V25.5Very low25.9Very low129 Ų129143.3 Ų143.378%0.78278%0.776SS**  trans-83.7131.5157.4171.30000108.7
364H22.6Very low26Very low135 Ų135140.3 Ų140.363%0.62577%0.77SS**  trans-157.7114.4154.2-88.6-71000113.5R362R362-H364 PolarHBondContact NE-CD2 2.87Å; R362-H364 PolarHBondContact NE-NE2 3.5Å; R362-H364 VanDerWaalsContact NE-NE2 3.18Å
365F21.4Very low26.1Very low185 Ų185139.2 Ų139.281%0.81176%0.764SS**  trans48.5142.4135.7-71.6-95.1000125
366V32.8Very low26.2Very low129 Ų129137.1 Ų137.178%0.78276%0.759SS**  trans-68.5147.7166.2169.70000109.4
367P28.5Very low26.4Very low114 Ų114139.3 Ų139.374%0.7476%0.76SS**  -150.7159.264.641.6-20.6000121.2
368E24.7Very low26.6Very low178 Ų178133.5 Ų133.583%0.83275%0.754SS**  trans29.3158.9131.5-131.1163.3-141.800125.3
369E22.3Very low26.9Very low179 Ų179133.3 Ų133.384%0.83676%0.755SS**  trans67.199.7164.2-60.5-147.4132.500121.9
370G25.3Very low26.7Very low75 Ų75130.9 Ų130.977%0.77375%0.752SS**  trans93162.7131.600000119
371V26.2Very low27Very low126 Ų126134.7 Ų134.776%0.76476%0.755SS**  cis-158.1141.7-11.4107.50000110.1
372N25.9Very low26.8Very low140 Ų140136 Ų13675%0.74976%0.764SS**  trans63.9156.2167.8-66.2-13.3000117.9
373T27Very low27.1Very low118 Ų118132 Ų13272%0.72476%0.761SS**  cis-148.6145.310.7-22.10000112.3
374S26.3Very low27.2Very low94 Ų94131.4 Ų131.466%0.65776%0.763SS**  trans58.6139.3147.159.40000120.7
375N26.3Very low27.4Very low143 Ų143133.4 Ų133.477%0.76577%0.773SS**  cis-162.6156.80.7-116.8-6.8000113.8
376L26.5Very low27.5Very low155 Ų155135.5 Ų135.581%0.81278%0.777SS**  trans81.1150.3157.3-65.9162.1000118.6
377P27.8Very low27.1Very low118 Ų118135.3 Ų135.377%0.76678%0.776SS**  trans-130.9177.4-130.642.7-27.8000117
378G30.1Very low27.1Very low67 Ų67138.2 Ų138.269%0.69178%0.784SS**  trans-82.8-147164.200000113.3
379P31Very low27.2Very low118 Ų118136.2 Ų136.277%0.76678%0.78SS**  cis-146.8171.33443-23.5000119
380S25.3Very low27.4Very low115 Ų115133.4 Ų133.480%0.80478%0.78SS**  trans55.6138.2141.2630000123.9
381R35.8Very low27.5Very low218 Ų218136 Ų13682%0.82378%0.781SS**  trans-114.9158.1172.6176.9-165.1-170.3-168.97.3109.3
382P29.2Very low27.6Very low124 Ų124133 Ų13381%0.80578%0.775SS**  trans-117.5162.5156.637.2-28.4000113.6
383T29.5Very low27.8Very low111 Ų111134.5 Ų134.568%0.68178%0.783SS**  trans-147.8140.9178.946.50000110.7
384S26.8Very low27.9Very low117 Ų117137 Ų13782%0.81879%0.79SS**  trans-160.5139.5163.753.80000111.4
385E26.4Very low28Very low177 Ų177137 Ų13783%0.82779%0.791SS**  trans-76171162.7-60.3162.7112.200110.2
386Y23.9Very low28.4Very low230 Ų230137.5 Ų137.590%0.90279%0.793SS**  -169.4173.3127.6-101.2-59.6000112.7
387T24.7Very low28.5Very low124 Ų124138.1 Ų138.176%0.76179%0.792SS**  trans-83.9161.4-165.744.80000115.6
388L27.3Very low28.4Very low175 Ų175139.7 Ų139.792%0.91679%0.794SS**  trans-46.7139.3170.9-74.3158.7000114.8
389D27.1Very low28.3Very low137 Ų137146.6 Ų146.673%0.73381%0.805SS**  trans-121.6164.5156.662.7-12.9000111.4
390S26.9Very low28Very low120 Ų120148.6 Ų148.684%0.83981%0.806SS**SBendtrans-106.625.5-145.453.90000116.8
391T28.5Very low28Very low130 Ų130151.4 Ų151.480%0.79881%0.811SS**SBendtrans-134.4-18.3-170.250.90000117.3
392G28Very low27.5Very low63 Ų63145.8 Ų145.865%0.64981%0.805SS**  trans52.887.8163.200000119.1
393N30.3Very low27.4Very low171 Ų171149.3 Ų149.391%0.91481%0.81SS**  trans-160.9168151.7-112.5-41.5000112.7
394I28.4Very low27.1Very low169 Ų169150.7 Ų150.787%0.86781%0.813SS**  trans-128133.6-162.5-60.8169.7000113.4
395S28.3Very low27Very low96 Ų96153.4 Ų153.467%0.67182%0.817SS**  trans-151.8157.4145.881.50000107.9
396D35.5Very low26.9Very low152 Ų152150 Ų15081%0.81381%0.814SS**  cis-134.6166.913.5-91.5-70.2000113.3
397Q26.9Very low26.9Very low169 Ų169144.1 Ų144.179%0.7981%0.806SS**  trans-93.8177.2-178.3-66.3179.8-28.500113.6
398N27.3Very low26.9Very low151 Ų151149 Ų14981%0.80781%0.81SS**  trans77.555160.3-54.4-40000118.8
399K27.8Very low26.7Very low211 Ų211147 Ų14792%0.91780%0.801SS**  trans-145.822.1157.9-127170.3-171.31740117.4
400M24.9Very low26.5Very low161 Ų161151.1 Ų151.179%0.79381%0.807SS**  trans-118.689.6177.8-78.9176.958.500112.6L404M400-L404 HydrophobicContact CE-CD1 3.8Å
401L24.6Very low26.3Very low174 Ų174151.4 Ų151.491%0.91180%0.804SS**  trans-144.373.2169.8-101.7176.1000111.7
402S25.5Very low26Very low100 Ų100153.9 Ų153.970%0.69980%0.8SS**SBendtrans-175.1149.8152.429.30000111.5L404S402-L404 PolarHBondContact O-N 2.99Å
403H26.6Very low25.8Very low197 Ų197157.9 Ų157.991%0.91280%0.803SS**  trans62.720.3170.2-67.2-71.7000120.6L405H403-L405 PolarHBondContact O-N 3.2Å; H403-L405 VanDerWaalsContact O-N 3.14Å
404L24Very low25.7Very low140 Ų140154.5 Ų154.573%0.73379%0.791SS**  trans-80.778.4163.6-85.5172.3000112.6M400 S402M400-L404 HydrophobicContact CE-CD1 3.8Å; S402-L404 PolarHBondContact O-N 2.99Å
405L24.3Very low25.5Very low174 Ų174153.6 Ų153.691%0.91179%0.794SS**  trans-148.576.5169.3-78.2-177.2000113.3H403H403-L405 PolarHBondContact O-N 3.2Å; H403-L405 VanDerWaalsContact O-N 3.14Å
406S24.4Very low25.2Very low107 Ų107155.9 Ų155.975%0.74880%0.798SS**SBendtrans178.4138.4147.2-178.60000111.7
407S24.2Very low24.6Very low106 Ų106158.5 Ų158.574%0.74180%0.797SS**  trans74.4144.3163.3-52.40000119.6
408R24.8Very low24.5Very low225 Ų225158.8 Ų158.885%0.84980%0.802SS**  trans77.499.6161.8-65.9-179.7177.1169.1-0.7121.4
409D22.4Very low24.3Very low134 Ų134155 Ų15572%0.71779%0.791SS**  56131.9102-51.9-37.3000124.1
410Y23.6Very low24.1Very low223 Ų223147.9 Ų147.988%0.87577%0.766SS**  trans86.1139139.6-82-53.5000125.2
411V21.7Very low24Very low127 Ų127143.4 Ų143.477%0.7775%0.754SS**  trans81.799.4150.2174.40000122.1
412Y22.7Very low24Very low181 Ų181138.4 Ų138.471%0.7175%0.745SS**  49.8156.5117.9-127.9-141.9000125.2
413M22.6Very low24Very low147 Ų147140 Ų14072%0.72475%0.751SS**  trans83.3166.9163.9-71.3-72171.700117.5
414P30.2Very low24Very low101 Ų101134.2 Ų134.266%0.65673%0.733SS**  -139.1168.3-91.238.9-18.4000116.8
415T23.2Very low24.1Very low150 Ų150135.3 Ų135.392%0.9274%0.739SS**  trans-164.8169.9153.6-1.50000115.1
416N22.3Very low24.3Very low143 Ų143133.3 Ų133.377%0.76573%0.728SS**  trans-114.6153.4-177-100.4-64.9000112.5
417R22.7Very low24.3Very low208 Ų208140.1 Ų140.179%0.78574%0.737SS**  trans45.7114.8151.5-64.7179.4177.2172.60.2119.8
418I23.8Very low24.3Very low175 Ų175138.7 Ų138.790%0.89774%0.739SS**  -123.1153.9124.3-62.4-177.5000107.3
419A24.6Very low24.3Very low71 Ų71131.5 Ų131.559%0.58774%0.735SS**  trans-147.3-175.6179.800000110.2
420T23.2Very low24.4Very low61 Ų61133.7 Ų133.737%0.37474%0.741SS.*  trans80.5153.4170760000115.7T878 P879T420-T878 WeakPolarHBondContact OG1-CB 3.35Å; T420-T878 VanDerWaalsContact OG1-CG2 3.23Å; T420-T878 WeakPolarHBondContact OG1-CG2 3.27Å; T420-P879 WeakPolarHBondContact CB-O 3.33Å; T420-P879 VanDerWaalsContact CG2-C 3.45Å; T420-P879 WeakPolarHBondContact CG2-O 3.24Å
421A23.6Very low24.5Very low67 Ų67129 Ų12955%0.55473%0.731SS**  cis-98.5175.9-1.800000111.7
422G24.2Very low24.5Very low70 Ų70130.1 Ų130.172%0.72273%0.731SS**  cis109.4116.420.100000108.6
423T25.5Very low24.5Very low134 Ų134125 Ų12582%0.82272%0.722SS**  -153.414669.939.60000110
424S26.4Very low24.5Very low75 Ų75124.6 Ų124.652%0.52472%0.723SS.*  cis99.9111.930.779.50000114.8
425N26.3Very low24.1Very low162 Ų162129.7 Ų129.787%0.86673%0.729SS**  trans-177100.1149.2-91-24.2000107.3
426I27.3Very low24.1Very low133 Ų133128.4 Ų128.468%0.68271%0.713SS**  cis85104.435.4-53.7172.9000114.3
427R25.4Very low24.1Very low250 Ų250128.4 Ų128.494%0.94371%0.708SS**  trans173.1143.4134.7-94.8167.4-168.5-145.93.3109.4
428G23.9Very low24.1Very low76 Ų76125.8 Ų125.878%0.78470%0.704SS**  cis163.6134.6-12.100000113.5
429G24.5Very low24Very low74 Ų74124.2 Ų124.276%0.76369%0.693SS**  trans81.2164.1178.400000114.4
430Q25.9Very low23.9Very low179 Ų179129 Ų12984%0.83670%0.703SS**  cis-161.8162.7-8.3-107.7178.34.800105.5
431L24Very low24.2Very low126 Ų126130.8 Ų130.866%0.6672%0.716SS**  cis-166.8167.324.8-125.1161.5000108.5
432L23.3Very low24.2Very low150 Ų150134.1 Ų134.179%0.78573%0.725SS**  trans63.4153162.7-58.1164.7000118.7
433S22.9Very low24.1Very low74 Ų74140.3 Ų140.352%0.51773%0.726SS.*  170.4156.4-50.351.80000108.6
434N22.6Very low24.1Very low138 Ų138141 Ų14174%0.73872%0.72SS**  trans71.6143.5162.3-55.4-21.7000116.7
435W21Very low24Very low208 Ų208146.1 Ų146.179%0.78874%0.736SS**  cis-139.7138.1-10-111.329000106.1
436Q22.1Very low24Very low122 Ų122142.6 Ų142.657%0.5773%0.729SS**  88.5110.568.8-166.6172.7-8.900114.5
437H23.6Very low23.9Very low143 Ų143143.2 Ų143.266%0.66273%0.734SS**  trans62.8128.1151.1-76.7-19.1000124.1
438Q22.4Very low23.9Very low153 Ų153137.9 Ų137.972%0.71572%0.723SS**  73.5143.2123.9-71.7-177.3-16.200123.1
439Q22.7Very low23.9Very low143 Ų143143.8 Ų143.867%0.66872%0.723SS**  trans67.9122145.3-60.5-101.929.500120.4
440Q21.8Very low24Very low170 Ų170147.3 Ų147.379%0.79473%0.725SS**  trans73.1169.4138.4-74.8-166.34500118.3
441P30.2Very low24.1Very low99 Ų99143.7 Ų143.764%0.64373%0.725SS**  trans-109-177.3-143.342.3-39.1000115.9
442N22.2Very low24.3Very low137 Ų137145.9 Ų145.973%0.73373%0.732SS**  trans104.8129.9155.5-77.5-51.5000119.6
443R23.5Very low24.9Very low200 Ų200144.5 Ų144.576%0.75573%0.732SS**  trans77.5114.2137.8-75.9177.7176.8-163.80.7122
444Q24Very low24.9Very low148 Ų148148.6 Ų148.669%0.69274%0.743SS**  91.5146.3122.3-72.4173.2-5900120.4
445Q25.3Very low25.1Very low184 Ų184146.1 Ų146.186%0.8674%0.736SS**  trans63.4102.1167.3-68.7159.3-12.400115.1
446A25.4Very low25.3Very low87 Ų87143.2 Ų143.272%0.71974%0.736SS**  cis93.5155.533.200000114.8
447N25.4Very low25.5Very low147 Ų147144.5 Ų144.579%0.78675%0.745SS**  trans76.7146.2173.3-61.9-5.5000116.6
448L24.6Very low25.7Very low138 Ų138145 Ų14572%0.72375%0.747SS**  cis-157.6132.8-9.7-106.9162.9000110.4
449Y24.8Very low26Very low199 Ų199143.2 Ų143.278%0.7874%0.742SS**  trans29.8134.7145.5-77-107.7000125.4
450D27.5Very low26.1Very low149 Ų149143 Ų14380%0.79775%0.745SS**  30.2140.2129.4-54.7-12.3000124.1
451A27.4Very low26.3Very low102 Ų102141.4 Ų141.484%0.84374%0.742SS**  trans-157.1157147.400000113.7
452H28.2Very low26.1Very low172 Ų172144.3 Ų144.380%0.79675%0.747SS**  trans-74.7179.7174-112.8-106.5000113
453P34.5Very low26.3Very low122 Ų122144.5 Ų144.579%0.79275%0.747SS**  -135.5115.2127.935.4-24.3000114.7
454E24.2Very low26.4Very low160 Ų160140.2 Ų140.275%0.74874%0.743SS**  trans-125.3156.1132.3-76.8-160.2144.900108
455S26.8Very low26.5Very low86 Ų86139.2 Ų139.260%0.60174%0.743SS**  trans81.7131.8170.383.50000120.7
456L24.9Very low26.6Very low147 Ų147136 Ų13677%0.7773%0.731SS**  trans67.997.1139.3-63.4167.9000123.4
457I26.7Very low26.5Very low148 Ų148142.1 Ų142.176%0.75974%0.736SS**  30117.1111.7-49.4170.9000118
458H27.8Very low26.5Very low153 Ų153140.2 Ų140.271%0.70873%0.734SS**  166136.6102.5-148.3-7.1000114
459N28.3Very low26.4Very low117 Ų117144 Ų14463%0.62674%0.739SS**  trans66.9166.2159.7-61.7-37.6000119.9
460L25.5Very low26.4Very low137 Ų137141.2 Ų141.272%0.71774%0.738SS**  -177.7147.2-61.7-109.7171.6000110
461N25Very low26.6Very low138 Ų138138.6 Ų138.674%0.73874%0.736SS**  trans74156.6158.4-65.2-28.5000121.5
462Q26Very low26.6Very low160 Ų160138.8 Ų138.875%0.74873%0.729SS**  trans78.9123.6170-53-143.377.900115.5
463L26.5Very low26.4Very low141 Ų141141.1 Ų141.174%0.73873%0.733SS**  cis-142.8161.32.7-98.2142.5000112.9
464T25Very low25.8Very low109 Ų109139 Ų13967%0.66972%0.721SS**  trans-46.3162.1161.842.70000113.1
465D26.8Very low25.8Very low127 Ų127137.8 Ų137.868%0.67972%0.718SS**  -170.9157.460.7-136.3-13.4000116.5
466N26.8Very low25.7Very low116 Ų116141 Ų14162%0.6272%0.724SS**  trans47.6150.9153-69.5-49.7000122.7
467R23.9Very low25.8Very low216 Ų216140 Ų14082%0.81572%0.716SS**  cis177.1141-33.1-123.5-172.8178.5179.7-0.7107.7
468S24.5Very low25.8Very low108 Ų108139.4 Ų139.476%0.75571%0.71SS**  trans67.3165.9154.791.20000116.7
469R23.5Very low25.8Very low216 Ų216138.4 Ų138.482%0.81571%0.705SS**  cis-164.8161-20-121.9178.7-176.6169.9-0.5109.6
470N24.1Very low25.7Very low142 Ų142139.7 Ų139.776%0.75971%0.707SS**  trans66.4136.7153.7-58.1-1.3000120
471A31.1Very low25.7Very low93 Ų93140.5 Ų140.577%0.76971%0.708SS**  trans-76.6164.9155.300000110.9
472P29.2Very low25.8Very low106 Ų106137.9 Ų137.969%0.68871%0.705SS**  -149.3148.712538.1-23.1000116
473Y23Very low25.7Very low222 Ų222135.2 Ų135.287%0.87170%0.704SS**  trans54.1157.6133.4-74.8-117.4000121.1
474S22.6Very low25.6Very low77 Ų77136 Ų13654%0.53870%0.704SS.*  cis178.5179.8-22.461.40000109.8
475L23Very low25.6Very low134 Ų134136.2 Ų136.270%0.70270%0.701SS**  trans69.1112.8149.6-73.6170.1000117.9
476Q25.3Very low25.5Very low153 Ų153139.8 Ų139.872%0.71571%0.705SS**  90.8156.896.8-112.8-175.721.400111.8
477Q27Very low25.4Very low128 Ų128139.1 Ų139.160%0.59871%0.705SS**  cis-159.2147.223.7-162.1172.893.100113.2
478Q26.1Very low25.6Very low135 Ų135137.5 Ų137.563%0.63171%0.706SS**  trans62.9157.7160-77.6158.525.500118.6
479Q27.6Very low25.8Very low131 Ų131135.2 Ų135.261%0.61270%0.7SS**  cis-142.6133.6-2.1-130.8130.617.700108.3
480Q27.1Very low26Very low144 Ų144131.4 Ų131.467%0.67370%0.696SS**  56.5143.2104.7-61.8180-11.800116.6
481Q25.9Very low26.1Very low155 Ų155131.3 Ų131.372%0.72469%0.691SS**  cis-158.2130.2-10.6-110.9161.2-100105.8
482A25.8Very low26Very low82 Ų82133.6 Ų133.668%0.67869%0.688SS**  72.3147.685.100000115.5
483S24Very low25.8Very low105 Ų105133.9 Ų133.973%0.73469%0.692SS**  trans65.6148.2164.158.90000117.7
484Q25.3Very low26.2Very low157 Ų157127.7 Ų127.773%0.73467%0.674SS**  cis-166.8158.9-6.8-119.4174.638.300109.4
485N24.1Very low26.8Very low114 Ų114128.9 Ų128.961%0.6168%0.68SS**  trans66.2166.7150.4-66.8-26.3000116.5
486R24.5Very low27.1Very low202 Ų202125.3 Ų125.376%0.76268%0.675SS**  cis-155.5135.20.8-132.1159.4-158.3-1744.1111.5
487T25.5Very low27.3Very low102 Ų102126.4 Ų126.463%0.62668%0.678SS**  trans53.5143.5134.656.60000125.3
488H28.4Very low27.6Very low182 Ų182126.3 Ų126.384%0.84369%0.686SS**  trans67147155-55.7-54000118.2
489G27.7Very low27.7Very low60 Ų60124.3 Ų124.362%0.61969%0.687SS**  cis173.7165.6-6.900000113
490D28.3Very low27.8Very low136 Ų136124.8 Ų124.873%0.72769%0.693SS**  trans66.8153.2154.5-57.3-43.6000119.9
491Q27.4Very low27.9Very low140 Ų140125.6 Ų125.665%0.65470%0.697SS**  cis-167.1162.3-15.6-113.5169.64800111.7
492I27.3Very low28.1Very low140 Ų140122.2 Ų122.272%0.71869%0.689SS**  trans67.5146.3145.3-69.6168.8000119.3
493C26.9Very low28.1Very low113 Ų113125.5 Ų125.576%0.76469%0.69SS**  cis-161.7179.4-23.8-1040000113.7
494D29.5Very low28.3Very low91 Ų91127.2 Ų127.249%0.48769%0.686SS.*  trans-101.6-156.7-170-118.26.5000113.4R807 T808D494-R807 VanDerWaalsContact CG-NH1 3.35Å; D494-R807 VanDerWaalsContact OD1-CD 3.27Å; D494-R807 WeakPolarHBondContact OD1-CD 3.48Å; D494-R807 IonicContact OD1-CZ 3.17Å; D494-R807 IonicContact OD1-NE 3.81Å; D494-R807 IonicContact OD1-NH1 3.33Å; D494-R807 PolarHBondContact OD1-NH1 3.49Å; D494-R807 IonicContact OD2-NH1 3.64Å; D494-T808 WeakPolarHBondContact OD1-CG2 3.42Å
495P36Very low28.3Very low102 Ų102125.1 Ų125.166%0.66268%0.684SS**  cis-144.9-178.8-45.141.2-23.8000117.4T808P495-T808 HydrophobicContact CB-CG2 3.73Å
496G29.5Very low28.3Very low59 Ų59129.8 Ų129.861%0.60869%0.693SS**  trans99.8169.3142.900000120.9T808G496-T808 PolarHBondContact N-OG1 3.09Å
497K30.3Very low28.3Very low176 Ų176127.5 Ų127.577%0.76570%0.696SS**  cis-171.8-177.2-14-144.9175.1-176.2177.30112.5
498V31.7Very low28.3Very low127 Ų127131.1 Ų131.177%0.7771%0.705SS**  trans82.3118.8168.2-1670000116
499S28.4Very low28.2Very low93 Ų93129.4 Ų129.465%0.6570%0.703SS**  84.2145.850.8-150.80000113.6
500N30.9Very low28.1Very low140 Ų140134.6 Ų134.675%0.74971%0.711SS**  cis-125.6-177.823.1-72.3-15.6000112.6
501Q28.1Very low28Very low161 Ų161133.5 Ų133.575%0.75271%0.711SS**  cis80149.721.7-81.9-152.562.700117.7
502P30.9Very low27.9Very low85 Ų85132.4 Ų132.455%0.55271%0.71SS**  cis-153.8-163.7-23.243.9-22.8000118
503Q26Very low28Very low150 Ų150135.4 Ų135.470%0.70172%0.72SS**  trans75.4156.1147.3-76.1165.917.600120.4
504Q27.1Very low27.9Very low141 Ų141137.8 Ų137.866%0.65972%0.72SS**  cis-161.6142.9-0-132.9155.925.200115.4
505T25.7Very low27.7Very low113 Ų113142 Ų14269%0.69374%0.737SS**  trans55.5166.4147.9480000121.3
506R25.1Very low27.5Very low212 Ų212143.2 Ų143.280%0.874%0.743SS**  cis-148.6129.9-8.7-120.8155.2-172.9-173.72.7106.3
507L22.8Very low27.6Very low155 Ų155144 Ų14481%0.81273%0.733SS**  38.3109.998-66.6167.1000115.9
508Q27Very low27.6Very low177 Ų177145.3 Ų145.383%0.82774%0.735SS**  -173.7133.4118.2-102.5170.8-6.300114.5
509N26.8Very low27.7Very low147 Ų147146.7 Ų146.779%0.78673%0.733SS**  trans57.9110.2143.2-58.14.3000122.9
510Q23.5Very low28.2Very low169 Ų169148.2 Ų148.279%0.7973%0.73SS**  trans-33.8163137.6-87.9-177.220.100115.6
511P27.7Very low28.4Very low112 Ų112147.4 Ų147.473%0.72773%0.725SS**  cis-147.6165.345.842.3-22.4000120.9
512N25Very low28.9Very low118 Ų118144.4 Ų144.463%0.63171%0.713SS**  trans16.9118.6146.6-58.3-18.7000120
513Q28.6Very low29.3Very low202 Ų202143.5 Ų143.594%0.94471%0.708SS**  -124.6123.1122.1-75.9-166.8-20.400109.5
514Q24.9Very low29.8Very low163 Ų163139.5 Ų139.576%0.76270%0.701SS**  trans-89.4176.1169.9-68175.3-25.800109.7
515Q26.2Very low30.3Very low180 Ų180138.6 Ų138.684%0.84170%0.7SS**  trans79.8142178.3-50.1-177.5-5.200114.9
516T31.1Very low30.7Very low128 Ų128138 Ų13879%0.78569%0.692SS**SBendtrans60129.7-15675.20000113.1
517N32.4Very low31.2Very low75 Ų75131.5 Ų131.540%0.40168%0.684SS.*SBendcis-137.549.19.3-113.9-21.7000114Q519 Q520N517-Q519 PolarHBondContact O-N 2.95Å; N517-Q519 VanDerWaalsContact O-N 3.09Å; N517-Q520 HydrophobicContact CB-CB 4.22Å; N517-Q520 HydrophobicContact CB-CG 4.06Å; N517-Q520 PolarHBondContact ND2-NE2 3.46Å; N517-Q520 PolarHBondContact ND2-OE1 3.08Å; N517-Q520 VanDerWaalsContact ND2-OE1 3.15Å; N517-Q520 PolarHBondContact O-N 2.97Å
518Y28.9Very low31.7Very low203 Ų203128.7 Ų128.780%0.79668%0.683SS**Hα-helixtrans-58.9-16.3165.1-118.5-86000113
519Q35.2Very low31.9Very low156 Ų156124.4 Ų124.473%0.72968%0.678SS**Hα-helixtrans-71.5-23.7168.2-76.6-175.8-20.200114.2N517 S523N517-Q519 PolarHBondContact O-N 2.95Å; N517-Q519 VanDerWaalsContact O-N 3.09Å; Q519-S523 WeakPolarHBondContact O-CB 3.4Å; Q519-S523 PolarHBondContact O-N 2.91Å; Q519-S523 PolarHBondContact O-OG 2.71Å
520Q38Very low32Very low126 Ų126121.5 Ų121.559%0.58967%0.669SS**Hα-helixtrans-76.2-33.4-179.6-79.8-175.9-2800113.4N517 S523 A524N517-Q520 HydrophobicContact CB-CB 4.22Å; N517-Q520 HydrophobicContact CB-CG 4.06Å; N517-Q520 PolarHBondContact ND2-NE2 3.46Å; N517-Q520 PolarHBondContact ND2-OE1 3.08Å; N517-Q520 VanDerWaalsContact ND2-OE1 3.15Å; N517-Q520 PolarHBondContact O-N 2.97Å; Q520-S523 WeakPolarHBondContact CA-OG 3.45Å; Q520-S523 PolarHBondContact O-OG 3.39Å; Q520-A524 PolarHBondContact O-N 2.84Å
521L35.1Very low32.3Very low123 Ų123117.7 Ų117.764%0.64467%0.667SS**Hα-helixtrans-76.9-33.1175.7-135.1159.2000111.6L525L521-L525 HydrophobicContact CD2-CD1 4.14Å; L521-L525 PolarHBondContact O-N 2.96Å
522I39.8Very low32.4Very low97 Ų97116.8 Ų116.850%0.49766%0.663SS.*Hα-helixtrans-73.6-36.2174.4-68176.3000111.9L525 L526I522-L525 PolarHBondContact O-N 3.11Å; I522-L526 HydrophobicContact CG2-CD1 3.87Å; I522-L526 PolarHBondContact O-N 3.29Å
523S38.8Very low32.6Very low66 Ų66119.8 Ų119.846%0.46267%0.67SS.*Hα-helixtrans-71.6-29.1174.548.10000113.4Q519 Q520 L525 A527Q519-S523 WeakPolarHBondContact O-CB 3.4Å; Q519-S523 PolarHBondContact O-N 2.91Å; Q519-S523 PolarHBondContact O-OG 2.71Å; Q520-S523 WeakPolarHBondContact CA-OG 3.45Å; Q520-S523 PolarHBondContact O-OG 3.39Å; S523-L525 VanDerWaalsContact C-N 3.29Å; S523-L525 PolarHBondContact O-N 3.48Å; S523-A527 WeakPolarHBondContact O-CB 3.48Å; S523-A527 PolarHBondContact O-N 3.44Å
524A36.9Very low32.9Very low67 Ų67114.8 Ų114.855%0.55466%0.658SS**Hα-helixtrans-65.3-31.5169.100000112.9Q520Q520-A524 PolarHBondContact O-N 2.84Å
525L35.9Very low33.1Very low122 Ų122111.7 Ų111.764%0.63964%0.639SS**Hα-helixtrans-91.1-26.1-180-78.8162.9000114.1L521 I522 S523L521-L525 HydrophobicContact CD2-CD1 4.14Å; L521-L525 PolarHBondContact O-N 2.96Å; I522-L525 PolarHBondContact O-N 3.11Å; S523-L525 VanDerWaalsContact C-N 3.29Å; S523-L525 PolarHBondContact O-N 3.48Å
526L35.7Very low33.2Very low99 Ų99106.2 Ų106.252%0.51862%0.615SS.*Hα-helixtrans-77.4-31.1168.4-96.276.5000112.9I522 A528 A529 S530I522-L526 HydrophobicContact CG2-CD1 3.87Å; I522-L526 PolarHBondContact O-N 3.29Å; L526-A528 PolarHBondContact O-N 2.95Å; L526-A528 VanDerWaalsContact O-N 3.13Å; L526-A529 PolarHBondContact O-N 2.95Å; L526-S530 PolarHBondContact O-N 3.3Å; L526-S530 VanDerWaalsContact O-N 3.17Å; L526-S530 PolarHBondContact O-OG 2.96Å
527A34.8Very low33.1Very low77 Ų77106 Ų10664%0.63661%0.605SS**THydrogen-bonded Turntrans-60.5-23.9-179.100000113.9S523S523-A527 WeakPolarHBondContact O-CB 3.48Å; S523-A527 PolarHBondContact O-N 3.44Å
528A34.2Very low32.8Very low96 Ų96107.3 Ų107.379%0.79362%0.621SS**THydrogen-bonded Turntrans-89.4-7.7175.300000114.3L526L526-A528 PolarHBondContact O-N 2.95Å; L526-A528 VanDerWaalsContact O-N 3.13Å
529A30.4Very low32.8Very low86 Ų86106.4 Ų106.471%0.71162%0.624SS**THydrogen-bonded Turntrans-127.8-7.4-165.800000115.6L526L526-A529 PolarHBondContact O-N 2.95Å
530S28.7Very low32.3Very low87 Ų87103.5 Ų103.561%0.60862%0.62SS**  trans-142.856.7-174.671.30000115.5L526L526-S530 PolarHBondContact O-N 3.3Å; L526-S530 VanDerWaalsContact O-N 3.17Å; L526-S530 PolarHBondContact O-OG 2.96Å
531A30.4Very low31.7Very low89 Ų89102.3 Ų102.374%0.73663%0.626SS**  trans-128.451.2-176.800000114.8
532S29.9Very low31.4Very low93 Ų93104.5 Ų104.565%0.6563%0.633SS**  trans-123.299.5179.2-57.30000113.1K271K271-S532 VanDerWaalsContact CE-O 3.32Å; K271-S532 WeakPolarHBondContact CE-O 3.3Å; K271-S532 PolarHBondContact NZ-O 3.13Å
533K29.5Very low30.7Very low180 Ų180105.5 Ų105.578%0.78364%0.644SS**  trans59.6102.8171.9-57.6176.1179.2175.10117.4K271K271-K533 HydrophobicContact CD-CB 4.18Å; K271-K533 WeakPolarHBondContact CD-O 3.39Å
534S33.4Very low30Very low97 Ų97106.4 Ų106.468%0.67865%0.65SS**  -150.6154.412375.80000108.6
535R29.4Very low29.5Very low99 Ų99109.9 Ų109.937%0.37466%0.659SS.*  trans-157.6139.9-152.7-168.8-144.3154.3-169.2-5.4111.8M1480 L1481 P1482R535-M1480 PolarHBondContact NH1-O 3.41Å; R535-L1481 PolarHBondContact NH1-O 3.02Å; R535-L1481 VanDerWaalsContact NH1-O 3.1Å; R535-L1481 PolarHBondContact NH2-O 3.11Å; R535-P1482 HydrophobicContact CG-CG 4.13Å; R535-P1482 VanDerWaalsContact CZ-N 3.3Å; R535-P1482 VanDerWaalsContact NE-CD 3.34Å
536L28.4Very low29.1Very low65 Ų65112 Ų11234%0.3467%0.67SS.*  trans123.2133.8146.8-71.9164.5000119.9K264K264-L536 HydrophobicContact CB-CB 4.44Å; K264-L536 HydrophobicContact CB-CD1 4.33Å; K264-L536 HydrophobicContact CD-CB 3.85Å; K264-L536 HydrophobicContact CD-CD1 3.5Å; K264-L536 VanDerWaalsContact CD-CD1 3.5Å; K264-L536 HydrophobicContact CD-CG 4.19Å; K264-L536 HydrophobicContact CG-CB 4.38Å; K264-L536 HydrophobicContact CG-CD1 3.64Å
537E28.5Very low28.7Very low122 Ų122112.2 Ų112.257%0.5768%0.68SS**  trans43117.9144.3-70.6157.2-13000119.2K264K264-E537 IonicContact NZ-OE1 3.66Å; K264-E537 PolarHBondContact NZ-OE1 3.07Å; K264-E537 IonicContact NZ-OE2 3.75Å; K264-E537 PolarHBondContact NZ-OE2 2.95Å
538S27.8Very low28.7Very low104 Ų104113.5 Ų113.573%0.72768%0.682SS**  cis84.8120.742.780.20000115.7
539Q27.5Very low28.4Very low184 Ų184117.7 Ų117.786%0.8669%0.687SS**  trans-157.4129.9139.1-115.7172.820.100112
540S24.4Very low28.3Very low94 Ų94116.4 Ų116.466%0.65768%0.683SS**  trans23.5152.7144.554.40000123.6
541S26.5Very low28.4Very low101 Ų101118.8 Ų118.871%0.70669%0.693SS**  trans74.7148.2153.877.10000117.1
542H27.8Very low28.3Very low169 Ų169121.7 Ų121.778%0.78270%0.697SS**  cis-156-177.7-21.9-112.9-48000108.6
543T26Very low28.4Very low119 Ų119121.9 Ų121.973%0.7370%0.703SS**  trans17.1131.1150.856.90000118.7
544S25Very low28.4Very low85 Ų85117.9 Ų117.959%0.59470%0.704SS**  cis152.1174.515.850.40000106.1
545N25.3Very low28Very low140 Ų140122.2 Ų122.275%0.74971%0.706SS**  trans76.9132.3148.6-66.5-9.6000121.4
546L28.5Very low28.1Very low165 Ų165124.3 Ų124.386%0.86472%0.724SS**  trans79.593145-64.9163.8000121.1
547S25.6Very low28Very low104 Ų104126.4 Ų126.473%0.72773%0.732SS**  trans-53.5-176.2132-240000112.2
548P34.6Very low28Very low105 Ų105130.2 Ų130.268%0.68275%0.75SS**  cis-147.8-162.221.635-8.3000116.9
549M28.7Very low27.9Very low183 Ų183134.2 Ų134.290%0.90175%0.754SS**  trans77.3143.4161.1-57.5171.475.300117.9
550G29.1Very low27.8Very low60 Ų60134.6 Ų134.662%0.61975%0.754SS**  cis176.3175.3-8.100000114.4
551V30.7Very low27.8Very low137 Ų137137.2 Ų137.283%0.8376%0.76SS**  trans64.5143161.5-520000120.1
552D28.2Very low27.8Very low150 Ų150139.2 Ų139.280%0.80277%0.768SS**  cis-162.2168.6-26.9-119-45.1000113
553A31Very low27.6Very low96 Ų96136.4 Ų136.479%0.79377%0.767SS**  trans62.4152165.700000118.3
554A29.9Very low27.6Very low96 Ų96137.5 Ų137.579%0.79377%0.769SS**  cis-168.2157.4-14.700000108
555W26.1Very low27.5Very low189 Ų189145 Ų14572%0.71678%0.784SS**  cis-149.9-83.2-14.9173-113.5000110.9Q557W555-Q557 VanDerWaalsContact CH2-NE2 3.26Å; W555-Q557 WeakPolarHBondContact O-CG 3.36Å; W555-Q557 PolarHBondContact O-N 2.9Å
556N29.9Very low27.6Very low143 Ų143148.7 Ų148.777%0.76579%0.788SS**  trans-46.9114.5-171.9-65.7-39.5000113.2
557Q27.6Very low27.5Very low109 Ų109144 Ų14451%0.50977%0.769SS.*  cis70.6138.537.3-49.2-173.12100113.4W555W555-Q557 VanDerWaalsContact CH2-NE2 3.26Å; W555-Q557 WeakPolarHBondContact O-CG 3.36Å; W555-Q557 PolarHBondContact O-N 2.9Å
558Q27.4Very low27.7Very low201 Ų201145.9 Ų145.994%0.93977%0.771SS**  cis-96.7146.810.1-66.6170.9-28.900113.6
559K25.7Very low27.7Very low188 Ų188144.3 Ų144.382%0.81776%0.762SS**  trans-114.7158.5-172.4-74.8-177175.7176.40113.3
560F25.5Very low27.9Very low193 Ų193140.3 Ų140.385%0.84674%0.741SS**SBendtrans-57.4164.4155.7-99.7-107.9000112.1
561N24.5Very low28.1Very low148 Ų148143.1 Ų143.179%0.79174%0.742SS**  trans67.284.6164.4-57.5-9.1000116.8
562T26.2Very low28.4Very low144 Ų144139.3 Ų139.388%0.88373%0.725SS**  trans-98.3137.7135.147.60000109.1
563S23.8Very low28.9Very low109 Ų109134.6 Ų134.676%0.76270%0.703SS**  trans-68.5133.9173.4530000111
564N25.9Very low29.3Very low142 Ų142134.2 Ų134.276%0.75969%0.688SS**  trans-164.594143.7-100.4-30.3000112.9W566N564-W566 PolarHBondContact O-N 3.35Å
565R23.6Very low29.9Very low242 Ų242133.9 Ų133.991%0.91367%0.673SS**  trans4158.7131.5-157.3-169.7-152.3178.98.3116.9S567R565-S567 PolarHBondContact O-N 3.33Å
566W27.7Very low31Very low219 Ų219127.5 Ų127.583%0.8366%0.66SS**  trans-65.1117.2165-68.8-3.7000109.1N564N564-W566 PolarHBondContact O-N 3.35Å
567S25.9Very low31.9Very low67 Ų67126.6 Ų126.647%0.46965%0.649SS.*  trans-76.2157.117645.10000111.1R565 S569 E570R565-S567 PolarHBondContact O-N 3.33Å; S567-S569 PolarHBondContact O-N 2.87Å; S567-S569 PolarHBondContact OG-OG 3.45Å; S567-E570 PolarHBondContact O-N 3.38Å
568D29.7Very low32.9Very low143 Ų143126.5 Ų126.577%0.76565%0.652SS**Hα-helixtrans-55.2-16.4-177.5-54.7-74.1000114.2A572D568-A572 WeakPolarHBondContact O-CB 3.3Å; D568-A572 PolarHBondContact O-N 3.25Å; D568-A572 VanDerWaalsContact O-N 3.17Å
569S34.1Very low34.3Very low72 Ų72121.8 Ų121.850%0.50363%0.632SS.*Hα-helixtrans-60.2-35.9172.4540000115.4S567 S573S567-S569 PolarHBondContact O-N 2.87Å; S567-S569 PolarHBondContact OG-OG 3.45Å; S569-S573 PolarHBondContact O-N 3.35Å; S569-S573 VanDerWaalsContact O-N 3.08Å
570E32.9Very low35.9Very low98 Ų98119.2 Ų119.246%0.45862%0.623SS.*Hα-helixtrans-85.2-27.9-177.1-70.4-167.5114.200112.9S567 A572 S573 N574S567-E570 PolarHBondContact O-N 3.38Å; E570-A572 VanDerWaalsContact C-N 3.33Å; E570-S573 PolarHBondContact O-OG 2.87Å; E570-N574 PolarHBondContact O-N 2.89Å; E570-N574 PolarHBondContact O-ND2 3.46Å; E570-N574 VanDerWaalsContact O-ND2 3.14Å
571L34.7Very low37.4Very low120 Ų120118 Ų11863%0.62861%0.614SS**Hα-helixtrans-67.7-38.5168-138.877000110.5N575L571-N575 WeakPolarHBondContact O-CB 3.46Å; L571-N575 VanDerWaalsContact O-CG 3.29Å; L571-N575 PolarHBondContact O-N 3.38Å; L571-N575 VanDerWaalsContact O-N 3.08Å; L571-N575 PolarHBondContact O-ND2 3Å; L571-N575 VanDerWaalsContact O-ND2 3.14Å
572A37.2Very low39Very low57 Ų57117 Ų11747%0.47161%0.605SS.*Hα-helixtrans-63.9-42.4174.200000112.9D568 E570 A576D568-A572 WeakPolarHBondContact O-CB 3.3Å; D568-A572 PolarHBondContact O-N 3.25Å; D568-A572 VanDerWaalsContact O-N 3.17Å; E570-A572 VanDerWaalsContact C-N 3.33Å; A572-A576 VanDerWaalsContact O-CB 3.27Å; A572-A576 WeakPolarHBondContact O-CB 3.47Å; A572-A576 PolarHBondContact O-N 3.24Å
573S38Very low41Very low50 Ų50113.5 Ų113.535%0.3558%0.583SS.*Hα-helixtrans-71.7-30.2-176.974.40000113.8S569 E570 K577S569-S573 PolarHBondContact O-N 3.35Å; S569-S573 VanDerWaalsContact O-N 3.08Å; E570-S573 PolarHBondContact O-OG 2.87Å; S573-K577 WeakPolarHBondContact O-CG 3.32Å; S573-K577 PolarHBondContact O-N 2.9Å
574N38.7Very low43.2Very low88 Ų88113.5 Ų113.547%0.47157%0.571SS.*Hα-helixtrans-79-43.1174.2-68.8-40.1000111.8E570 A576 K577 D578E570-N574 PolarHBondContact O-N 2.89Å; E570-N574 PolarHBondContact O-ND2 3.46Å; E570-N574 VanDerWaalsContact O-ND2 3.14Å; N574-A576 VanDerWaalsContact C-N 3.25Å; N574-A576 PolarHBondContact O-N 2.86Å; N574-K577 PolarHBondContact O-N 2.99Å; N574-K577 VanDerWaalsContact O-N 3.1Å; N574-D578 PolarHBondContact O-N 3.13Å
575N43.2Very low45.2Very low89 Ų89108.6 Ų108.648%0.47655%0.551SS.*Hα-helixtrans-58-38170.9-76.2-30.7000112L571 K577 D578 I579L571-N575 WeakPolarHBondContact O-CB 3.46Å; L571-N575 VanDerWaalsContact O-CG 3.29Å; L571-N575 PolarHBondContact O-N 3.38Å; L571-N575 VanDerWaalsContact O-N 3.08Å; L571-N575 PolarHBondContact O-ND2 3Å; L571-N575 VanDerWaalsContact O-ND2 3.14Å; N575-K577 VanDerWaalsContact C-N 3.35Å; N575-K577 PolarHBondContact O-N 2.9Å; N575-D578 PolarHBondContact O-N 3.08Å; N575-I579 WeakPolarHBondContact O-CB 3.26Å; N575-I579 WeakPolarHBondContact O-CD1 3.45Å; N575-I579 WeakPolarHBondContact O-CG1 3.21Å; N575-I579 PolarHBondContact O-N 2.73Å
576A48.4Very low47.4Very low55 Ų55101.8 Ų101.846%0.45553%0.529SS..Hα-helixtrans-62.5-38.6175.800000112.8A572 N574 Q580A572-A576 VanDerWaalsContact O-CB 3.27Å; A572-A576 WeakPolarHBondContact O-CB 3.47Å; A572-A576 PolarHBondContact O-N 3.24Å; N574-A576 VanDerWaalsContact C-N 3.25Å; N574-A576 PolarHBondContact O-N 2.86Å; A576-Q580 WeakPolarHBondContact O-CB 3.36Å; A576-Q580 PolarHBondContact O-N 2.86Å
577K49.1Very low49.6Very low124 Ų12496.6 Ų96.654%0.53951%0.514SS..Hα-helixtrans-68.9-42.7176.5-72.1168.8-174.91680112.1S573 N574 N575 Q580 Y581S573-K577 WeakPolarHBondContact O-CG 3.32Å; S573-K577 PolarHBondContact O-N 2.9Å; N574-K577 PolarHBondContact O-N 2.99Å; N574-K577 VanDerWaalsContact O-N 3.1Å; N575-K577 VanDerWaalsContact C-N 3.35Å; N575-K577 PolarHBondContact O-N 2.9Å; K577-Q580 PolarHBondContact O-N 3.45Å; K577-Y581 PolarHBondContact O-N 3.45Å
578D48.5Very low51.8Low107 Ų10799.7 Ų99.757%0.57252%0.521SS*.Hα-helixtrans-65.6-39.4176.4-77.9-17.7000111.8N574 N575 Y581 Q582N574-D578 PolarHBondContact O-N 3.13Å; N575-D578 PolarHBondContact O-N 3.08Å; D578-Y581 PolarHBondContact O-N 2.92Å; D578-Q582 WeakPolarHBondContact O-CG 3.26Å; D578-Q582 PolarHBondContact O-N 3.1Å
579I56.3Low53.8Low102 Ų10297.2 Ų97.252%0.52351%0.507SS..Hα-helixtrans-62.6-44172-70.3165.5000110.6N575 Y581 Q582 V583N575-I579 WeakPolarHBondContact O-CB 3.26Å; N575-I579 WeakPolarHBondContact O-CD1 3.45Å; N575-I579 WeakPolarHBondContact O-CG1 3.21Å; N575-I579 PolarHBondContact O-N 2.73Å; I579-Y581 VanDerWaalsContact C-N 3.34Å; I579-Y581 PolarHBondContact O-N 2.65Å; I579-Q582 PolarHBondContact O-N 3.18Å; I579-V583 HydrophobicContact CG2-CG2 4.42Å; I579-V583 WeakPolarHBondContact O-CG2 3.29Å; I579-V583 PolarHBondContact O-N 3.05Å
580Q60.8Low55.6Low134 Ų134100.8 Ų100.863%0.62651%0.51SS*.Hα-helixtrans-62.1-41.5177.6-168.6172.610.300111.6A576 K577 V583 Q584A576-Q580 WeakPolarHBondContact O-CB 3.36Å; A576-Q580 PolarHBondContact O-N 2.86Å; K577-Q580 PolarHBondContact O-N 3.45Å; Q580-V583 PolarHBondContact O-N 3.03Å; Q580-Q584 WeakPolarHBondContact O-CB 3.44Å; Q580-Q584 PolarHBondContact O-N 3.22Å
581Y56.2Low57.6Low168 Ų168102 Ų10266%0.65952%0.515SS*.Hα-helixtrans-64.7-41.4174.4-123.2-86.5000112.4K577 D578 I579 Q584 A585K577-Y581 PolarHBondContact O-N 3.45Å; D578-Y581 PolarHBondContact O-N 2.92Å; I579-Y581 VanDerWaalsContact C-N 3.34Å; I579-Y581 PolarHBondContact O-N 2.65Å; Y581-Q584 PolarHBondContact O-N 3.16Å; Y581-A585 WeakPolarHBondContact O-CB 3.37Å; Y581-A585 PolarHBondContact O-N 3.21Å
582Q59Low59.6Low126 Ų126102 Ų10259%0.58951%0.512SS*.Hα-helixtrans-64.7-40.9175.3-76.5-171.74.100112.6D578 I579 Q586D578-Q582 WeakPolarHBondContact O-CG 3.26Å; D578-Q582 PolarHBondContact O-N 3.1Å; I579-Q582 PolarHBondContact O-N 3.18Å; Q582-Q586 WeakPolarHBondContact O-CB 3.47Å; Q582-Q586 WeakPolarHBondContact O-CG 3.35Å; Q582-Q586 PolarHBondContact O-N 2.78Å
583V67.4Low61.5Low71 Ų71104.9 Ų104.943%0.4352%0.516SS..Hα-helixtrans-64.2-43.7175.7169.90000110.8I579 Q580 Q586 Q587I579-V583 HydrophobicContact CG2-CG2 4.42Å; I579-V583 WeakPolarHBondContact O-CG2 3.29Å; I579-V583 PolarHBondContact O-N 3.05Å; Q580-V583 PolarHBondContact O-N 3.03Å; V583-Q586 PolarHBondContact O-N 3.09Å; V583-Q587 WeakPolarHBondContact O-CG 3.14Å; V583-Q587 PolarHBondContact O-N 3.42Å
584Q69.8Low63.3Low109 Ų109109 Ų10951%0.50953%0.529SS..Hα-helixtrans-67-39.5179.8-158.4167.121.700111.9Q580 Y581 Q587 Q588Q580-Q584 WeakPolarHBondContact O-CB 3.44Å; Q580-Q584 PolarHBondContact O-N 3.22Å; Y581-Q584 PolarHBondContact O-N 3.16Å; Q584-Q587 PolarHBondContact O-N 3.29Å; Q584-Q588 PolarHBondContact O-N 3.45Å
585A68.4Low65Low40 Ų40111.3 Ų111.333%0.33154%0.537SS..Hα-helixtrans-64.1-42.5171.600000112.4Y581 Q587 Q588 I589Y581-A585 WeakPolarHBondContact O-CB 3.37Å; Y581-A585 PolarHBondContact O-N 3.21Å; A585-Q587 VanDerWaalsContact C-N 3.29Å; A585-Q587 PolarHBondContact O-N 3.41Å; A585-Q588 PolarHBondContact O-N 3.24Å; A585-I589 WeakPolarHBondContact O-CG1 3.5Å; A585-I589 PolarHBondContact O-N 3.45Å
586Q70.3Confident66.5Low99 Ų99113.1 Ų113.146%0.46354%0.543SS..Hα-helixtrans-64.8-29.9174.2-81-163.32.800113.4Q582 V583 R590Q582-Q586 WeakPolarHBondContact O-CB 3.47Å; Q582-Q586 WeakPolarHBondContact O-CG 3.35Å; Q582-Q586 PolarHBondContact O-N 2.78Å; V583-Q586 PolarHBondContact O-N 3.09Å; Q586-R590 WeakPolarHBondContact O-CB 3.49Å; Q586-R590 PolarHBondContact O-N 3.04Å; Q586-R590 VanDerWaalsContact O-N 3.08Å
587Q73.1Confident67.5Low109 Ų109113.3 Ų113.351%0.50955%0.545SS..Hα-helixtrans-70.5-43.9173.8-78.1179.1-29.900111.4V583 Q584 A585 R590 Q591V583-Q587 WeakPolarHBondContact O-CG 3.14Å; V583-Q587 PolarHBondContact O-N 3.42Å; Q584-Q587 PolarHBondContact O-N 3.29Å; A585-Q587 VanDerWaalsContact C-N 3.29Å; A585-Q587 PolarHBondContact O-N 3.41Å; Q587-R590 PolarHBondContact O-N 2.86Å; Q587-Q591 WeakPolarHBondContact O-CG 3.43Å; Q587-Q591 PolarHBondContact O-N 3.43Å
588Q72.3Confident68.7Low133 Ų133111.9 Ų111.962%0.62155%0.546SS*.Hα-helixtrans-62.2-45175-74.1-175.9-28.300112.2Q584 A585 R590 Q591 Q592Q584-Q588 PolarHBondContact O-N 3.45Å; A585-Q588 PolarHBondContact O-N 3.24Å; Q588-R590 VanDerWaalsContact C-N 3.33Å; Q588-R590 PolarHBondContact O-N 3.1Å; Q588-Q591 PolarHBondContact O-N 2.73Å; Q588-Q592 WeakPolarHBondContact O-CB 3.41Å; Q588-Q592 PolarHBondContact O-N 3.02Å
589I71.6Confident69.7Low90 Ų90109.8 Ų109.846%0.46254%0.544SS..Hα-helixtrans-60.6-42.7176.3-67.8166.4000110.9A585 Q592 Q593A585-I589 WeakPolarHBondContact O-CG1 3.5Å; A585-I589 PolarHBondContact O-N 3.45Å; I589-Q592 PolarHBondContact O-N 3.31Å; I589-Q593 HydrophobicContact CG2-CG 4.46Å; I589-Q593 WeakPolarHBondContact O-CB 3.45Å; I589-Q593 WeakPolarHBondContact O-CG 3.39Å; I589-Q593 PolarHBondContact O-N 3.48Å
590R71.1Confident70.3Confident148 Ų148107.8 Ų107.856%0.55854%0.542SS*.Hα-helixtrans-63.5-43.9175.4-90.8-175.4-89.2-176-12.4112.7Q586 Q587 Q588 Q592 Q593 Q594Q586-R590 WeakPolarHBondContact O-CB 3.49Å; Q586-R590 PolarHBondContact O-N 3.04Å; Q586-R590 VanDerWaalsContact O-N 3.08Å; Q587-R590 PolarHBondContact O-N 2.86Å; Q588-R590 VanDerWaalsContact C-N 3.33Å; Q588-R590 PolarHBondContact O-N 3.1Å; R590-Q592 VanDerWaalsContact C-N 3.34Å; R590-Q592 PolarHBondContact O-N 3.04Å; R590-Q593 PolarHBondContact O-N 2.95Å; R590-Q594 VanDerWaalsContact O-CB 3.25Å; R590-Q594 WeakPolarHBondContact O-CB 3.13Å; R590-Q594 PolarHBondContact O-N 3Å
591Q74.8Confident70.7Confident123 Ų123104.3 Ų104.358%0.57554%0.537SS*.Hα-helixtrans-61.4-41.9176.2-74.9-179.8-10.700111.9Q587 Q588 Q594 Q595Q587-Q591 WeakPolarHBondContact O-CG 3.43Å; Q587-Q591 PolarHBondContact O-N 3.43Å; Q588-Q591 PolarHBondContact O-N 2.73Å; Q591-Q594 PolarHBondContact O-N 3.28Å; Q591-Q595 WeakPolarHBondContact O-CG 3.38Å; Q591-Q595 PolarHBondContact O-N 3.39Å
592Q76.6Confident71.5Confident120 Ų12099.2 Ų99.256%0.56153%0.529SS*.Hα-helixtrans-67.8-41.7178.9-164.5173.540.200112.2Q588 I589 R590 Q594 Q595 Q596Q588-Q592 WeakPolarHBondContact O-CB 3.41Å; Q588-Q592 PolarHBondContact O-N 3.02Å; I589-Q592 PolarHBondContact O-N 3.31Å; R590-Q592 VanDerWaalsContact C-N 3.34Å; R590-Q592 PolarHBondContact O-N 3.04Å; Q592-Q594 VanDerWaalsContact C-N 3.34Å; Q592-Q595 PolarHBondContact O-N 3.32Å; Q592-Q596 WeakPolarHBondContact O-CG 3.47Å; Q592-Q596 PolarHBondContact O-N 2.88Å
593Q77.5Confident71.9Confident118 Ų11896.2 Ų96.255%0.55153%0.526SS*.Hα-helixtrans-62.9-39.6172.3-75.3177.9-16.500112.1I589 R590 Q596 A597I589-Q593 HydrophobicContact CG2-CG 4.46Å; I589-Q593 WeakPolarHBondContact O-CB 3.45Å; I589-Q593 WeakPolarHBondContact O-CG 3.39Å; I589-Q593 PolarHBondContact O-N 3.48Å; R590-Q593 PolarHBondContact O-N 2.95Å; Q593-Q596 PolarHBondContact O-N 2.76Å; Q593-A597 WeakPolarHBondContact O-CB 3.42Å; Q593-A597 PolarHBondContact O-N 3.46Å
594Q76.3Confident71.9Confident135 Ų13595.4 Ų95.463%0.63153%0.527SS*.Hα-helixtrans-68.2-40.6179.4-163.5165.911.100111.4R590 Q591 Q592 A597 T598R590-Q594 VanDerWaalsContact O-CB 3.25Å; R590-Q594 WeakPolarHBondContact O-CB 3.13Å; R590-Q594 PolarHBondContact O-N 3Å; Q591-Q594 PolarHBondContact O-N 3.28Å; Q592-Q594 VanDerWaalsContact C-N 3.34Å; Q594-A597 PolarHBondContact O-N 2.96Å; Q594-T598 PolarHBondContact O-N 3.17Å; Q594-T598 PolarHBondContact O-OG1 3.37Å; Q594-T598 VanDerWaalsContact O-OG1 3.04Å
595Q73.7Confident71.9Confident138 Ų13893.2 Ų93.265%0.64553%0.527SS*.Hα-helixtrans-61.4-43.4170.9-74174.9-6.800112.4Q591 Q592 T598 A599Q591-Q595 WeakPolarHBondContact O-CG 3.38Å; Q591-Q595 PolarHBondContact O-N 3.39Å; Q592-Q595 PolarHBondContact O-N 3.32Å; Q595-T598 PolarHBondContact O-N 2.96Å; Q595-A599 WeakPolarHBondContact O-CB 3.47Å; Q595-A599 PolarHBondContact O-N 2.87Å
596Q74.8Confident71.9Confident127 Ų12794.3 Ų94.359%0.59354%0.536SS*.Hα-helixtrans-63.6-41.1175.9-74.9175.3-12.200112.1Q592 Q593 A599 A600Q592-Q596 WeakPolarHBondContact O-CG 3.47Å; Q592-Q596 PolarHBondContact O-N 2.88Å; Q593-Q596 PolarHBondContact O-N 2.76Å; Q596-A599 PolarHBondContact O-N 2.74Å; Q596-A600 WeakPolarHBondContact O-CB 3.23Å; Q596-A600 PolarHBondContact O-N 3.26Å
597A70.3Confident71.4Confident59 Ų5992.2 Ų92.249%0.48854%0.536SS..Hα-helixtrans-64.7-42175.500000112.3Q593 Q594 A600 A601Q593-A597 WeakPolarHBondContact O-CB 3.42Å; Q593-A597 PolarHBondContact O-N 3.46Å; Q594-A597 PolarHBondContact O-N 2.96Å; A597-A600 PolarHBondContact O-N 3.26Å; A597-A601 WeakPolarHBondContact O-CB 3.48Å; A597-A601 PolarHBondContact O-N 2.89Å
598T73.8Confident71Confident94 Ų9489.8 Ų89.858%0.57754%0.535SS*.Hα-helixtrans-65.3-40.4175-55.80000111.9Q594 Q595 A601 A602Q594-T598 PolarHBondContact O-N 3.17Å; Q594-T598 PolarHBondContact O-OG1 3.37Å; Q594-T598 VanDerWaalsContact O-OG1 3.04Å; Q595-T598 PolarHBondContact O-N 2.96Å; T598-A601 PolarHBondContact O-N 3.4Å; T598-A602 WeakPolarHBondContact O-CB 3.28Å; T598-A602 PolarHBondContact O-N 3.24Å
599A69.5Low70.5Confident63 Ų6386.4 Ų86.452%0.52153%0.53SS..Hα-helixtrans-65.3-41.4175.400000112.2Q595 Q596 A602 A603Q595-A599 WeakPolarHBondContact O-CB 3.47Å; Q595-A599 PolarHBondContact O-N 2.87Å; Q596-A599 PolarHBondContact O-N 2.74Å; A599-A602 PolarHBondContact O-N 3.3Å; A599-A603 WeakPolarHBondContact O-CB 3.14Å; A599-A603 PolarHBondContact O-N 2.89Å
600A68.2Low70.1Confident59 Ų5984.6 Ų84.649%0.48853%0.528SS..Hα-helixtrans-64.5-42.6174.900000112Q596 A597 A603 A604Q596-A600 WeakPolarHBondContact O-CB 3.23Å; Q596-A600 PolarHBondContact O-N 3.26Å; A597-A600 PolarHBondContact O-N 3.26Å; A600-A603 PolarHBondContact O-N 3.34Å; A600-A604 WeakPolarHBondContact O-CB 3.41Å; A600-A604 PolarHBondContact O-N 3.17Å
601A70.8Confident69.5Low62 Ų6283.3 Ų83.351%0.51253%0.53SS..Hα-helixtrans-63.3-40.8175.500000112.3A597 T598 A604 A605A597-A601 WeakPolarHBondContact O-CB 3.48Å; A597-A601 PolarHBondContact O-N 2.89Å; T598-A601 PolarHBondContact O-N 3.4Å; A601-A604 PolarHBondContact O-N 3.25Å; A601-A605 WeakPolarHBondContact O-CB 3.34Å; A601-A605 PolarHBondContact O-N 3.04Å
602A71.2Confident68.5Low61 Ų6179.7 Ų79.750%0.50452%0.52SS..Hα-helixtrans-65.2-41174.800000112.3T598 A599 A605 A606T598-A602 WeakPolarHBondContact O-CB 3.28Å; T598-A602 PolarHBondContact O-N 3.24Å; A599-A602 PolarHBondContact O-N 3.3Å; A602-A605 PolarHBondContact O-N 2.7Å; A602-A606 WeakPolarHBondContact O-CB 3.01Å; A602-A606 PolarHBondContact O-N 3.45Å
603A68.8Low67.4Low62 Ų6277.4 Ų77.451%0.51252%0.522SS..Hα-helixtrans-65.8-41.6175.100000112.2A599 A600 A606 A607A599-A603 WeakPolarHBondContact O-CB 3.14Å; A599-A603 PolarHBondContact O-N 2.89Å; A600-A603 PolarHBondContact O-N 3.34Å; A603-A606 PolarHBondContact O-N 3.1Å; A603-A607 WeakPolarHBondContact O-CB 3.29Å; A603-A607 PolarHBondContact O-N 3.42Å
604A66.7Low65.8Low55 Ų5578.3 Ų78.346%0.45553%0.53SS..Hα-helixtrans-64.6-40.9175.200000111.9A600 A601 A607 A608A600-A604 WeakPolarHBondContact O-CB 3.41Å; A600-A604 PolarHBondContact O-N 3.17Å; A601-A604 PolarHBondContact O-N 3.25Å; A604-A607 PolarHBondContact O-N 2.81Å; A604-A608 VanDerWaalsContact O-CB 3.32Å; A604-A608 WeakPolarHBondContact O-CB 3.37Å; A604-A608 PolarHBondContact O-N 2.64Å
605A69.2Low64.2Low62 Ų6279.3 Ų79.351%0.51254%0.535SS..Hα-helixtrans-63.7-40.5174.200000112.2A601 A602 A608 A609A601-A605 WeakPolarHBondContact O-CB 3.34Å; A601-A605 PolarHBondContact O-N 3.04Å; A602-A605 PolarHBondContact O-N 2.7Å; A605-A608 PolarHBondContact O-N 3.15Å; A605-A609 WeakPolarHBondContact O-CB 3.37Å; A605-A609 PolarHBondContact O-N 2.88Å
606A68.4Low62.3Low63 Ų6378 Ų7852%0.52154%0.54SS..Hα-helixtrans-66-40.6174.600000112.4A602 A603 A609 A610A602-A606 WeakPolarHBondContact O-CB 3.01Å; A602-A606 PolarHBondContact O-N 3.45Å; A603-A606 PolarHBondContact O-N 3.1Å; A606-A609 PolarHBondContact O-N 2.96Å; A606-A610 WeakPolarHBondContact O-CB 3.41Å; A606-A610 PolarHBondContact O-N 3.25Å
607A61.8Low60.3Low55 Ų5577 Ų7746%0.45555%0.546SS..Hα-helixtrans-66.2-41174.900000112.1A603 A604 A610 M611A603-A607 WeakPolarHBondContact O-CB 3.29Å; A603-A607 PolarHBondContact O-N 3.42Å; A604-A607 PolarHBondContact O-N 2.81Å; A607-A610 PolarHBondContact O-N 2.99Å; A607-M611 WeakPolarHBondContact O-CB 3.24Å; A607-M611 WeakPolarHBondContact O-CG 3.4Å; A607-M611 PolarHBondContact O-N 3.11Å
608A63.2Low58.4Low59 Ų5978 Ų7849%0.48856%0.555SS.*Hα-helixtrans-64.1-41174.200000111.9A604 A605 M611 A612A604-A608 VanDerWaalsContact O-CB 3.32Å; A604-A608 WeakPolarHBondContact O-CB 3.37Å; A604-A608 PolarHBondContact O-N 2.64Å; A605-A608 PolarHBondContact O-N 3.15Å; A608-M611 PolarHBondContact O-N 3.31Å; A608-A612 VanDerWaalsContact O-CB 3.32Å; A608-A612 WeakPolarHBondContact O-CB 3.47Å; A608-A612 PolarHBondContact O-N 2.81Å
609A63.1Low56.3Low62 Ų6283.7 Ų83.751%0.51257%0.571SS.*Hα-helixtrans-63.7-40.1173.700000112.2A605 A606 A612 A613A605-A609 WeakPolarHBondContact O-CB 3.37Å; A605-A609 PolarHBondContact O-N 2.88Å; A606-A609 PolarHBondContact O-N 2.96Å; A609-A612 PolarHBondContact O-N 3.43Å; A609-A613 WeakPolarHBondContact O-CB 3.47Å; A609-A613 PolarHBondContact O-N 3.35Å
610A62.1Low54.4Low51 Ų5186.4 Ų86.442%0.42159%0.587SS.*Hα-helixtrans-66.7-40.7174.800000112.5A606 A607 A613 L614A606-A610 WeakPolarHBondContact O-CB 3.41Å; A606-A610 PolarHBondContact O-N 3.25Å; A607-A610 PolarHBondContact O-N 2.99Å; A610-A613 PolarHBondContact O-N 3.02Å; A610-L614 WeakPolarHBondContact O-CG 3.36Å; A610-L614 PolarHBondContact O-N 3.33Å
611M59.1Low52.6Low122 Ų12289.2 Ų89.260%0.60160%0.603SS**Hα-helixtrans-68.9-37.6175.6-69.1-123.5-76.900112.2A607 A608 L614 Q615A607-M611 WeakPolarHBondContact O-CB 3.24Å; A607-M611 WeakPolarHBondContact O-CG 3.4Å; A607-M611 PolarHBondContact O-N 3.11Å; A608-M611 PolarHBondContact O-N 3.31Å; M611-L614 PolarHBondContact O-N 2.95Å; M611-Q615 WeakPolarHBondContact O-CB 3.44Å; M611-Q615 WeakPolarHBondContact O-CG 3.36Å; M611-Q615 PolarHBondContact O-N 3.32Å
612A53.9Low50.7Low46 Ų4691.9 Ų91.938%0.3861%0.613SS.*Hα-helixtrans-63-43.3171.300000111.6A608 A609 L614 Q615 C616A608-A612 VanDerWaalsContact O-CB 3.32Å; A608-A612 WeakPolarHBondContact O-CB 3.47Å; A608-A612 PolarHBondContact O-N 2.81Å; A609-A612 PolarHBondContact O-N 3.43Å; A612-L614 VanDerWaalsContact C-N 3.27Å; A612-L614 PolarHBondContact O-N 2.99Å; A612-Q615 PolarHBondContact O-N 2.84Å; A612-C616 WeakPolarHBondContact O-CB 3.21Å; A612-C616 PolarHBondContact O-N 3.16Å; A612-C616 PolarHBondContact O-SG 2.94Å
613A52.2Low48.7Very low72 Ų7295.2 Ų95.260%0.59562%0.622SS**Hα-helixtrans-61.1-34174.400000112.8A609 A610A609-A613 WeakPolarHBondContact O-CB 3.47Å; A609-A613 PolarHBondContact O-N 3.35Å; A610-A613 PolarHBondContact O-N 3.02Å
614L44.3Very low46.8Very low137 Ų13799.2 Ų99.272%0.71763%0.634SS**Hα-helixtrans-75.8-34.2174.3-72.3166000113.1A610 M611 A612A610-L614 WeakPolarHBondContact O-CG 3.36Å; A610-L614 PolarHBondContact O-N 3.33Å; M611-L614 PolarHBondContact O-N 2.95Å; A612-L614 VanDerWaalsContact C-N 3.27Å; A612-L614 PolarHBondContact O-N 2.99Å
615Q43.8Very low45Very low156 Ų156101.5 Ų101.573%0.72964%0.644SS**Hα-helixtrans-81.4-25.6179.9-74.1-178.1-24.500113.8M611 A612 S617M611-Q615 WeakPolarHBondContact O-CB 3.44Å; M611-Q615 WeakPolarHBondContact O-CG 3.36Å; M611-Q615 PolarHBondContact O-N 3.32Å; A612-Q615 PolarHBondContact O-N 2.84Å; Q615-S617 PolarHBondContact O-N 2.78Å
616C33.8Very low42.9Very low112 Ų112106.5 Ų106.576%0.75766%0.661SS**THydrogen-bonded Turntrans-74.3-0.3176.6-730000114.5A612A612-C616 WeakPolarHBondContact O-CB 3.21Å; A612-C616 PolarHBondContact O-N 3.16Å; A612-C616 PolarHBondContact O-SG 2.94Å
617S32.9Very low41Very low104 Ų104109.9 Ų109.973%0.72767%0.67SS**THydrogen-bonded Turntrans-94.29.5-174.3-166.90000115.2Q615Q615-S617 PolarHBondContact O-N 2.78Å
618A30.4Very low39.2Very low80 Ų80114.4 Ų114.466%0.66168%0.684SS**SBendtrans-14967.7-172.400000114.9
619K28.2Very low37.4Very low214 Ų214118.3 Ų118.393%0.9369%0.692SS**  trans-161.448.4173.2-117.3159.2-170.8176.30117.4
620S29.9Very low35.6Very low121 Ų121124.9 Ų124.985%0.84670%0.703SS**  trans-169152.4164.148.10000109.4
621S31.4Very low33.8Very low117 Ų117130.2 Ų130.282%0.81872%0.72SS**  cis-145.4-177.6-5.8510000110.2
622T30.5Very low32.6Very low118 Ų118130.7 Ų130.772%0.72473%0.729SS**  trans-99.2169.8-169.348.60000115.5
623N28.6Very low31.6Very low132 Ų132133.1 Ų133.171%0.70674%0.741SS**  trans97.3115.3144.2-72.3-17.4000123.3
624I28.9Very low30.4Very low146 Ų146138.2 Ų138.275%0.74975%0.75SS**  trans75.5139.4130.2-57.2166000117.6
625P29.8Very low29.7Very low103 Ų103137.5 Ų137.567%0.66975%0.746SS**  cis-144.9168.7-41.643.8-23.7000116.7
626L25.9Very low28.9Very low166 Ų166138.5 Ų138.587%0.86975%0.748SS**  trans37.8119.2140.7-72.3171.5000124.8
627N26.6Very low28.8Very low134 Ų134136 Ų13672%0.71774%0.742SS**  105.2151.4119.7-160.927.1000121.3
628M25.2Very low28.8Very low150 Ų150136.3 Ų136.374%0.73974%0.744SS**  trans72147.4170.7-66.9-170.2178.100119.2
629Q25.2Very low28.9Very low141 Ų141137.6 Ų137.666%0.65975%0.748SS**  cis-170.7153.9-35.1-141.5-178.3-10.700109.6
630R25Very low29Very low200 Ų200134.1 Ų134.176%0.75574%0.74SS**  trans67.8156.8162.9-62.3174.9170.6-177.5-2116.8
631Q25.4Very low29.1Very low164 Ų164133 Ų13377%0.76673%0.732SS**  cis-155.2155.9-21.9-115.8164.4-45.300110.3
632V32.9Very low29.2Very low132 Ų132131.8 Ų131.880%0.872%0.723SS**  trans-72.5170.5167.7-144.40000110.4
633P32.4Very low29.4Very low96 Ų96132.9 Ų132.962%0.62373%0.725SS**  -163163.89143.3-23.4000120.5
634F27.8Very low29.4Very low180 Ų180133.9 Ų133.979%0.78973%0.727SS**  trans64.6152.8140.3-66.3-27.2000121.4
635L28.6Very low29.5Very low122 Ų122134 Ų13464%0.63973%0.728SS**  cis-156.5-169-5.4-110.4163.4000107.1
636F28.1Very low29.5Very low176 Ų176135.6 Ų135.677%0.77273%0.726SS**  cis-155.4126.915.4-147.2-62.6000113.9
637G30.5Very low29.7Very low61 Ų61137.5 Ų137.563%0.62972%0.722SS**  trans81.1156.415100000118.8
638S32.8Very low29.9Very low110 Ų110138.2 Ų138.277%0.76973%0.726SS**  cis-170.6157.3-5.3-92.70000108.5
639S33.3Very low30.6Very low106 Ų106136.9 Ų136.974%0.74173%0.728SS**  cis-169.8-177.2-17.159.30000106.2
640N29.7Very low30.8Very low141 Ų141134.6 Ų134.675%0.75473%0.733SS**  cis-158.1164.97.5-165.45.2000109.6
641S33.3Very low31.2Very low99 Ų99133.4 Ų133.469%0.69274%0.736SS**  trans64.9-179.1168.993.10000114.2
642S33.4Very low31.5Very low90 Ų90132 Ų13263%0.62973%0.733SS**  cis-166.8168.3-21.136.70000108
643N33.6Very low31.3Very low142 Ų142136.4 Ų136.476%0.75974%0.736SS**  cis-165.8150.8-28.5-95.6-9.3000107.6
644M29.9Very low31.1Very low152 Ų152136.6 Ų136.675%0.74974%0.739SS**  cis-168.9168.8-25.1-143.9-169-17600109.7
645I30.2Very low31.3Very low149 Ų149131.8 Ų131.876%0.76473%0.728SS**  trans78.2147154.9-63.5154.4000119.3
646Q30Very low31.2Very low137 Ų137136.6 Ų136.664%0.6474%0.739SS**  -173.4163-58.3-131.1-169.18.300111.9
647R28.9Very low31.3Very low206 Ų206133.5 Ų133.578%0.77774%0.74SS**  trans74151.4155.5-68.1163.7-160-1574118.8
648N31.3Very low31.3Very low149 Ų149136.3 Ų136.380%0.79775%0.749SS**  cis-164.3155.2-24.5-117.117.7000111.3
649P39.6Very low31.1Very low122 Ų122134.4 Ų134.479%0.79275%0.747SS**  trans-123.3169.8173.941.8-31.6000115.4
650A30.9Very low30.8Very low92 Ų92137.7 Ų137.776%0.7676%0.756SS**  trans-177.5161.6150.500000116.2
651Q32.7Very low30.8Very low175 Ų175139.9 Ų139.982%0.81876%0.762SS**  trans77.8144.7158.7-55.9-156.8-0.600119.3
652L30.7Very low30.4Very low135 Ų135140.4 Ų140.471%0.70777%0.766SS**  cis-156.5176.7-2.8-118.2173.3000113.9
653R28.6Very low30Very low225 Ų225141.5 Ų141.585%0.84977%0.773SS**  trans-44.9175.2178.2-75174.1-179.5-170.7-1.3119.3
654S30.2Very low29.7Very low99 Ų99139.8 Ų139.869%0.69278%0.779SS**  cis176.2-170.3-25.570.90000107.9
655S30.5Very low29.5Very low80 Ų80140.1 Ų140.156%0.55978%0.781SS**  cis-178162.9-3.833.80000110.9
656Y28.1Very low29.1Very low223 Ų223142.5 Ų142.588%0.87578%0.78SS**  trans72.4156.7167.6-64.2-71000118.4
657S29Very low28.9Very low111 Ų111142.3 Ų142.378%0.77678%0.782SS**  cis-150-174.5-4-150.90000112.8
658S30.3Very low28.7Very low119 Ų119141.6 Ų141.683%0.83279%0.79SS**  trans-87.2162.5-174.655.10000117.6
659G28.8Very low28.5Very low70 Ų70140.5 Ų140.572%0.72278%0.784SS**  trans177.1109.5161.100000117.5
660D27.6Very low27.8Very low175 Ų175141 Ų14194%0.93679%0.787SS**  trans50.5168.1146.5-65.40.8000125
661E28.6Very low27.5Very low187 Ų187140.4 Ų140.487%0.87478%0.783SS**  trans-90167.5-169.5-58.1-171.8120.300115.3
662S25.9Very low27.2Very low110 Ų110137.3 Ų137.377%0.76978%0.78SS**  trans80.8144.6155-163.10000119.2
663S25.4Very low27Very low113 Ų113138.6 Ų138.679%0.7979%0.787SS**  trans65.276155.9-59.20000119.7
664A27Very low26.8Very low107 Ų107133.9 Ų133.988%0.88478%0.783SS**  trans-150.969158.300000114.4
665M24.6Very low26.6Very low159 Ų159135.2 Ų135.278%0.78379%0.787SS**  trans-89123.4164.4-172.3-133.4-69.200109.6
666R23.5Very low26.6Very low198 Ų198136.4 Ų136.475%0.74779%0.793SS**  159.9139.4129.6-89.6168.7-168.8-158.12.3116.9
667I24.6Very low26.4Very low134 Ų134134 Ų13469%0.68779%0.792SS**  trans65.1113.4140.9-60.7163000118.7
668M25.3Very low26Very low190 Ų190138.2 Ų138.294%0.93680%0.796SS**  -14989.6118.6-132.3170.1-7800113.4
669N26.7Very low25.7Very low127 Ų127138.4 Ų138.468%0.67979%0.792SS**  trans14.3120.1152.8-164.724.3000121.1
670P24.7Very low25.5Very low132 Ų132142.6 Ų142.686%0.85780%0.797SS**  trans-10481171.938-29.6000113.5
671A23.9Very low25.3Very low80 Ų80143.3 Ų143.366%0.66179%0.787SS**  trans-158.884.2174.800000115
672S26.7Very low24.9Very low110 Ų110143 Ų14377%0.76978%0.778SS**  trans-165.2142.1160.652.40000113
673L26.1Very low24.8Very low161 Ų161146.3 Ų146.384%0.84378%0.779SS**  trans58.8103.1165.9-54.6169.8000116.1
674V25.3Very low24.8Very low126 Ų126146.5 Ų146.576%0.76478%0.778SS**  73.6108.753.6-171.20000114.2
675T25.8Very low24.8Very low127 Ų127147.9 Ų147.978%0.77978%0.776SS**  trans-14.2168.9149.814.50000119.8
676P30.7Very low25.3Very low106 Ų106146 Ų14669%0.68878%0.775SS**  cis-143.1-152.310.639.6-15.9000116.5
677M23.4Very low25.5Very low172 Ų172143.1 Ų143.185%0.84778%0.775SS**  trans87.8123.8172.2-53.6-165.5178.800115.7
678K22.1Very low25.7Very low199 Ų199143.9 Ų143.987%0.86578%0.778SS**  cis73.9121.131.4-76.1-167.9172.3-179.40116.9
679T23.6Very low25.8Very low123 Ų123141 Ų14176%0.75577%0.766SS**  trans119.6145.7144.2-44.30000116.4
680L24.3Very low25.8Very low158 Ų158141 Ų14183%0.82777%0.765SS**  trans89.1144.4173.1-54174.8000117.4
681R22.2Very low26Very low191 Ų191140.3 Ų140.372%0.72175%0.754SS**  170.2131-51.3-108.8-169.5168.2176.1-1.5108.9
682R22Very low26.1Very low181 Ų181144.2 Ų144.268%0.68376%0.758SS**  trans82.9155.1145.4-68.9176.2167.7176.5-7.5122.6
683F23.5Very low26.2Very low179 Ų179144 Ų14479%0.78576%0.757SS**  trans79.7137.2165.3-47.8-65000116.5
684C25.8Very low26.3Very low116 Ų116143.1 Ų143.178%0.78475%0.753SS**  cis-154.8-178.8-5.6-1220000112.8
685T25.6Very low26.2Very low136 Ų136144 Ų14483%0.83475%0.753SS**  trans-122.2173.5-16542.80000115.7
686P35.3Very low26.3Very low119 Ų119142 Ų14277%0.77374%0.744SS**  trans-116.2-173.3-16744.1-34.4000116.6
687D28.7Very low26.1Very low138 Ų138144.8 Ų144.874%0.73875%0.748SS**  trans-147.3138-174.5-89.9-55.8000116.9
688M27.5Very low26.2Very low151 Ų151141.4 Ų141.474%0.74474%0.737SS**  trans63.6168.2144.1-56.1-52.7156.700121
689N27.1Very low26.3Very low128 Ų128139.2 Ų139.268%0.68473%0.734SS**  cis-170.2173.9-9.6-110.7-4.2000109.6
690I27.7Very low26.3Very low129 Ų129140.9 Ų140.966%0.66274%0.737SS**  cis-173.6162.4-28.1-142.9-170.4000112.4
691N28.1Very low26.4Very low117 Ų117140.5 Ų140.563%0.62674%0.735SS**  trans57151.9160.6-7232.1000124.2
692E27.6Very low26.7Very low161 Ų161136.9 Ų136.975%0.75274%0.737SS**  cis-171.1165.3-19.9-112.5-176.1149.700114.5
693S27.7Very low26.8Very low107 Ų107136.1 Ų136.175%0.74874%0.741SS**  trans78.2169.616083.20000120.7
694N27.7Very low26.9Very low141 Ų141136.1 Ų136.175%0.75474%0.743SS**  cis-178.8170-31-89.7-11.8000110.1
695L24.8Very low27.2Very low144 Ų144135.5 Ų135.575%0.75474%0.738SS**  cis-170.9158.8-30.3-102173.8000113.8
696S26.7Very low27.2Very low85 Ų85135.8 Ų135.859%0.59473%0.733SS**  trans78.8115.2145.9-68.50000128.4
697Q27.4Very low26.7Very low165 Ų165136.3 Ų136.377%0.77173%0.73SS**  77.7163.3124.3-65.9-144.778.700124.9
698T25.1Very low26.6Very low101 Ų101135.4 Ų135.462%0.6273%0.729SS**  cis-177.3148.5-26.1-80.90000115.4
699L23.2Very low26.5Very low154 Ų154136.2 Ų136.281%0.80673%0.734SS**  trans84.9148153.2-90173.4000128.9
700L25.2Very low26.4Very low157 Ų157134.2 Ų134.282%0.82273%0.73SS**  trans101.5155.8146.3-83166000125.5
701L25.6Very low26.4Very low150 Ų150136.9 Ų136.979%0.78574%0.739SS**  trans-135.3160.1-167.6-122.789.9000111.4
702P27.5Very low26.4Very low116 Ų116136.4 Ų136.475%0.75375%0.745SS**  -163.91519541.7-20.2000121.6
703Q25Very low26.5Very low164 Ų164135.6 Ų135.677%0.76675%0.751SS**  trans46.5129.9131.7-63.9-167.5-1.300128.6
704Q25.6Very low26.7Very low180 Ų180135.7 Ų135.784%0.84175%0.749SS**  92.1154.4129.1-77.6-160.6-8.200124.9
705P32.1Very low26.6Very low103 Ų103136.1 Ų136.167%0.66975%0.75SS**  trans-132-169.5-158.246.3-29.8000115.6
706L24.8Very low26.9Very low141 Ų141132.7 Ų132.774%0.73874%0.738SS**  trans-174.8147.7139.1-125.467.8000114.6
707N25.6Very low27.3Very low131 Ų131134.8 Ų134.870%0.70174%0.739SS**  trans56.4150.6148.4-66.7-2.5000121
708T25.7Very low27.6Very low118 Ų118132.9 Ų132.972%0.72473%0.73SS**  cis-165.8-175.3-7.321.90000107.2
709M26.2Very low28Very low169 Ų169133.3 Ų133.383%0.83373%0.728SS**  cis-149.8-138.37.7-141.3-35.7-177.800111.6
710S25Very low28.8Very low86 Ų86130 Ų13060%0.60171%0.711SS**  trans-88.6179.4-179.855.20000113.3
711E28.3Very low29.5Very low184 Ų184128.5 Ų128.586%0.8670%0.698SS**  cis-151.7178.919.8-156.9153-123.300113.5
712S27.7Very low30.3Very low107 Ų107125.4 Ų125.475%0.74869%0.685SS**  trans-149.2144.3-159.1630000117.1
713V29.8Very low30.8Very low145 Ų145125.3 Ų125.388%0.87968%0.675SS**  trans-138.8137.9161.1-176.30000109.6
714P30.9Very low31.8Very low109 Ų109125.7 Ų125.771%0.70867%0.669SS**  trans-106.8149.4-153.638.7-35.8000118.2
715L25.9Very low32.6Very low149 Ų149119.5 Ų119.578%0.7865%0.649SS**  trans-85.5104.8167.4-73.9155.4000111.4
716S32.6Very low33.2Very low72 Ų72118 Ų11850%0.50364%0.638SS.*  trans-138.4-27.2179.163.40000116.7N720S716-N720 PolarHBondContact O-ND2 3.41Å
717E33.4Very low34.3Very low130 Ų130116.5 Ų116.561%0.60763%0.627SS**Hα-helixtrans-73.3-39.5177.8-90.3-134.7133.100114N719 N720 K721E717-N719 PolarHBondContact O-N 3.09Å; E717-N720 PolarHBondContact O-N 2.87Å; E717-K721 PolarHBondContact O-N 3.07Å; E717-K721 VanDerWaalsContact O-N 3.13Å; E717-K721 IonicContact OE1-NZ 2.7Å; E717-K721 IonicContact OE2-NZ 3.96Å; E717-K721 PolarHBondContact OE2-NZ 2.85Å
718Q34.4Very low35.2Very low125 Ų125116.8 Ų116.858%0.58462%0.624SS**Hα-helixtrans-62.8-44.6-177-83.8-175.3-25.300111.8N720 K721 V722Q718-N720 VanDerWaalsContact C-N 3.28Å; Q718-N720 PolarHBondContact O-N 3.28Å; Q718-K721 PolarHBondContact O-N 3.14Å; Q718-K721 VanDerWaalsContact O-N 3.08Å; Q718-V722 WeakPolarHBondContact O-CG2 3.29Å; Q718-V722 PolarHBondContact O-N 2.86Å
719N33.9Very low35.8Very low110 Ų110114.9 Ų114.959%0.58861%0.609SS**Hα-helixtrans-59.7-38.1177.8-76.8-14000112.1E717 V722 Q723E717-N719 PolarHBondContact O-N 3.09Å; N719-V722 PolarHBondContact O-N 3.19Å; N719-Q723 VanDerWaalsContact O-CB 3.25Å; N719-Q723 WeakPolarHBondContact O-CB 3.46Å; N719-Q723 PolarHBondContact O-N 3.38Å
720N39.1Very low36.8Very low83 Ų83110.3 Ų110.344%0.44459%0.588SS.*Hα-helixtrans-67.4-35.7175.5-82.2-77.9000112.9S716 E717 Q718 R724S716-N720 PolarHBondContact O-ND2 3.41Å; E717-N720 PolarHBondContact O-N 2.87Å; Q718-N720 VanDerWaalsContact C-N 3.28Å; Q718-N720 PolarHBondContact O-N 3.28Å; N720-R724 VanDerWaalsContact O-CG 3.3Å; N720-R724 WeakPolarHBondContact O-CG 3.29Å; N720-R724 PolarHBondContact O-N 2.87Å; N720-R724 VanDerWaalsContact O-N 3.13Å
721K41.3Very low37.7Very low126 Ų126109.8 Ų109.855%0.54858%0.581SS.*Hα-helixtrans-68.8-43.1174.2-72.8169.3179.7157.20111.1E717 Q718 A725E717-K721 PolarHBondContact O-N 3.07Å; E717-K721 VanDerWaalsContact O-N 3.13Å; E717-K721 IonicContact OE1-NZ 2.7Å; E717-K721 IonicContact OE2-NZ 3.96Å; E717-K721 PolarHBondContact OE2-NZ 2.85Å; Q718-K721 PolarHBondContact O-N 3.14Å; Q718-K721 VanDerWaalsContact O-N 3.08Å; K721-A725 PolarHBondContact O-N 3.35Å; K721-A725 VanDerWaalsContact O-N 3.11Å
722V41Very low38.3Very low85 Ų85106.5 Ų106.552%0.51557%0.566SS.*Hα-helixtrans-61.4-50.8173.9173.40000111.1Q718 N719 R724 A725 T726Q718-V722 WeakPolarHBondContact O-CG2 3.29Å; Q718-V722 PolarHBondContact O-N 2.86Å; N719-V722 PolarHBondContact O-N 3.19Å; V722-R724 VanDerWaalsContact C-N 3.34Å; V722-R724 PolarHBondContact O-N 3.11Å; V722-A725 CarbonylContact O-C 3.57Å; V722-A725 WeakPolarHBondContact O-CA 3.17Å; V722-A725 WeakPolarHBondContact O-CB 3.4Å; V722-A725 PolarHBondContact O-N 2.81Å; V722-T726 PolarHBondContact O-N 3.38Å; V722-T726 PolarHBondContact O-OG1 3.13Å; V722-T726 VanDerWaalsContact O-OG1 3.1Å
723Q39.3Very low38.6Very low115 Ų115105.2 Ų105.254%0.53755%0.55SS..Hα-helixtrans-63.2-38-176.7-166.517110.800112.2N719 T726 Q727N719-Q723 VanDerWaalsContact O-CB 3.25Å; N719-Q723 WeakPolarHBondContact O-CB 3.46Å; N719-Q723 PolarHBondContact O-N 3.38Å; Q723-T726 PolarHBondContact O-N 3.37Å; Q723-Q727 WeakPolarHBondContact O-CB 3.32Å; Q723-Q727 PolarHBondContact O-N 3.03Å
724R46.3Very low38.9Very low171 Ų171102.5 Ų102.565%0.64553%0.531SS*.Hα-helixtrans-63.2-41.2170.6-72.8178.4-162.6172.37.7112.5N720 V722 Q727 Q728N720-R724 VanDerWaalsContact O-CG 3.3Å; N720-R724 WeakPolarHBondContact O-CG 3.29Å; N720-R724 PolarHBondContact O-N 2.87Å; N720-R724 VanDerWaalsContact O-N 3.13Å; V722-R724 VanDerWaalsContact C-N 3.34Å; V722-R724 PolarHBondContact O-N 3.11Å; R724-Q727 PolarHBondContact O-N 2.88Å; R724-Q728 WeakPolarHBondContact O-CB 3.4Å; R724-Q728 WeakPolarHBondContact O-CG 3.37Å; R724-Q728 PolarHBondContact O-N 3.12Å
725A42.1Very low39.2Very low51 Ų51103.6 Ų103.642%0.42152%0.524SS..Hα-helixtrans-62.9-43.2175.500000111.3K721 V722 Q728 L729K721-A725 PolarHBondContact O-N 3.35Å; K721-A725 VanDerWaalsContact O-N 3.11Å; V722-A725 CarbonylContact O-C 3.57Å; V722-A725 WeakPolarHBondContact O-CA 3.17Å; V722-A725 WeakPolarHBondContact O-CB 3.4Å; V722-A725 PolarHBondContact O-N 2.81Å; A725-Q728 PolarHBondContact O-N 3.15Å; A725-L729 WeakPolarHBondContact O-CB 3.47Å; A725-L729 PolarHBondContact O-N 3.4Å
726T44.9Very low39.5Very low72 Ų72100.8 Ų100.844%0.44251%0.506SS..Hα-helixtrans-60.5-45.3173-50.40000111.7V722 Q723 Q728 L729 I730V722-T726 PolarHBondContact O-N 3.38Å; V722-T726 PolarHBondContact O-OG1 3.13Å; V722-T726 VanDerWaalsContact O-OG1 3.1Å; Q723-T726 PolarHBondContact O-N 3.37Å; T726-Q728 VanDerWaalsContact C-N 3.35Å; T726-Q728 PolarHBondContact O-N 2.81Å; T726-L729 PolarHBondContact O-N 2.76Å; T726-I730 HydrophobicContact CG2-CD1 3.99Å; T726-I730 WeakPolarHBondContact O-CG1 3.49Å; T726-I730 PolarHBondContact O-N 3.15Å
727Q46.3Very low39.7Very low108 Ų108105 Ų10551%0.50552%0.518SS..Hα-helixtrans-62.6-41.3177.9-136.776.446.600111.8Q723 R724 T731Q723-Q727 WeakPolarHBondContact O-CB 3.32Å; Q723-Q727 PolarHBondContact O-N 3.03Å; R724-Q727 PolarHBondContact O-N 2.88Å; Q727-T731 WeakPolarHBondContact O-CB 3.44Å; Q727-T731 PolarHBondContact O-N 3.36Å; Q727-T731 PolarHBondContact O-OG1 3.12Å
728Q45Very low39.6Very low137 Ų137105.8 Ų105.864%0.6453%0.526SS*.Hα-helixtrans-64.5-43.1175-76.5179.8-15.600111.4R724 A725 T726 T731 Q732R724-Q728 WeakPolarHBondContact O-CB 3.4Å; R724-Q728 WeakPolarHBondContact O-CG 3.37Å; R724-Q728 PolarHBondContact O-N 3.12Å; A725-Q728 PolarHBondContact O-N 3.15Å; T726-Q728 VanDerWaalsContact C-N 3.35Å; T726-Q728 PolarHBondContact O-N 2.81Å; Q728-T731 CarbonylContact O-C 3.52Å; Q728-T731 WeakPolarHBondContact O-CB 3.22Å; Q728-T731 PolarHBondContact O-N 3.39Å; Q728-Q732 WeakPolarHBondContact O-CG 3.48Å; Q728-Q732 PolarHBondContact O-N 3.28Å
729L39.1Very low39.4Very low78 Ų78105 Ų10541%0.40853%0.525SS..Hα-helixtrans-65.6-42.6179.6-156.9158.2000111.3A725 T726 T731 Q732 L733 A759A725-L729 WeakPolarHBondContact O-CB 3.47Å; A725-L729 PolarHBondContact O-N 3.4Å; T726-L729 PolarHBondContact O-N 2.76Å; L729-T731 VanDerWaalsContact C-N 3.33Å; L729-T731 PolarHBondContact O-N 3.11Å; L729-Q732 PolarHBondContact O-N 2.73Å; L729-L733 HydrophobicContact CD2-CD1 3.56Å; L729-L733 HydrophobicContact CD2-CG 3.96Å; L729-L733 WeakPolarHBondContact O-CG 3.42Å; L729-L733 PolarHBondContact O-N 3.36Å; L729-A759 HydrophobicContact CD1-CB 4.23Å
730I46.5Very low39.2Very low73 Ų73105.4 Ų105.437%0.37454%0.537SS..Hα-helixtrans-59.4-43.2170.3-67.8165.6000111T726 Q732 L733 N734T726-I730 HydrophobicContact CG2-CD1 3.99Å; T726-I730 WeakPolarHBondContact O-CG1 3.49Å; T726-I730 PolarHBondContact O-N 3.15Å; I730-Q732 VanDerWaalsContact C-N 3.3Å; I730-Q732 PolarHBondContact O-N 3.16Å; I730-L733 PolarHBondContact O-N 3.18Å; I730-N734 PolarHBondContact O-N 3.04Å; I730-N734 PolarHBondContact O-OD1 2.99Å
731T44.3Very low38.9Very low76 Ų76105.5 Ų105.547%0.46654%0.54SS..Hα-helixtrans-65.8-31.7178.7-54.50000112.5Q727 Q728 L729 K735Q727-T731 WeakPolarHBondContact O-CB 3.44Å; Q727-T731 PolarHBondContact O-N 3.36Å; Q727-T731 PolarHBondContact O-OG1 3.12Å; Q728-T731 CarbonylContact O-C 3.52Å; Q728-T731 WeakPolarHBondContact O-CB 3.22Å; Q728-T731 PolarHBondContact O-N 3.39Å; L729-T731 VanDerWaalsContact C-N 3.33Å; L729-T731 PolarHBondContact O-N 3.11Å; T731-K735 WeakPolarHBondContact O-CG 3.28Å
732Q39.5Very low38.4Very low115 Ų115103.1 Ų103.154%0.53754%0.539SS..Hα-helixtrans-72.4-47.7171.6-65.5-66.7-4.500111.1Q728 L729 I730 N734 K735 F736Q728-Q732 WeakPolarHBondContact O-CG 3.48Å; Q728-Q732 PolarHBondContact O-N 3.28Å; L729-Q732 PolarHBondContact O-N 2.73Å; I730-Q732 VanDerWaalsContact C-N 3.3Å; I730-Q732 PolarHBondContact O-N 3.16Å; Q732-N734 VanDerWaalsContact C-N 3.34Å; Q732-N734 PolarHBondContact O-N 2.78Å; Q732-K735 WeakPolarHBondContact O-CB 3.5Å; Q732-K735 PolarHBondContact O-N 3.44Å; Q732-K735 VanDerWaalsContact O-N 3.1Å; Q732-F736 VanDerWaalsContact O-CD2 3.27Å; Q732-F736 WeakPolarHBondContact O-CD2 3Å; Q732-F736 PolarHBondContact O-N 3.43Å
733L35.4Very low37.9Very low79 Ų79102.3 Ų102.341%0.41455%0.548SS..Hα-helixtrans-57.3-43.6179.2-75.5172.7000112.6L729 I730 K735 F736L729-L733 HydrophobicContact CD2-CD1 3.56Å; L729-L733 HydrophobicContact CD2-CG 3.96Å; L729-L733 WeakPolarHBondContact O-CG 3.42Å; L729-L733 PolarHBondContact O-N 3.36Å; I730-L733 PolarHBondContact O-N 3.18Å; L733-K735 VanDerWaalsContact C-N 3.27Å; L733-K735 PolarHBondContact O-N 3.34Å; L733-F736 PolarHBondContact O-N 3.27Å
734N36.5Very low37.5Very low89 Ų89103.9 Ų103.948%0.47656%0.56SS.*Hα-helixtrans-62.1-35.7178.2-69.6-1.1000111.8I730 Q732 F736 Q737I730-N734 PolarHBondContact O-N 3.04Å; I730-N734 PolarHBondContact O-OD1 2.99Å; Q732-N734 VanDerWaalsContact C-N 3.34Å; Q732-N734 PolarHBondContact O-N 2.78Å; N734-F736 PolarHBondContact O-N 2.93Å; N734-Q737 PolarHBondContact O-N 3.33Å; N734-Q737 VanDerWaalsContact O-N 3.17Å
735K35.9Very low36.9Very low132 Ų13298.9 Ų98.957%0.57455%0.546SS*.Hα-helixtrans-68.2-14.8175.1-73179.6176.5-176.30114.5T731 Q732 L733T731-K735 WeakPolarHBondContact O-CG 3.28Å; Q732-K735 WeakPolarHBondContact O-CB 3.5Å; Q732-K735 PolarHBondContact O-N 3.44Å; Q732-K735 VanDerWaalsContact O-N 3.1Å; L733-K735 VanDerWaalsContact C-N 3.27Å; L733-K735 PolarHBondContact O-N 3.34Å
736F33.4Very low36.5Very low90 Ų90102.6 Ų102.640%0.39555%0.55SS.*Hα-helixtrans-89-12.9173.5-77.9-77000113.4Q732 L733 N734 L739 L752Q732-F736 VanDerWaalsContact O-CD2 3.27Å; Q732-F736 WeakPolarHBondContact O-CD2 3Å; Q732-F736 PolarHBondContact O-N 3.43Å; L733-F736 PolarHBondContact O-N 3.27Å; N734-F736 PolarHBondContact O-N 2.93Å; F736-L739 HydrophobicContact CD1-CD1 3.88Å; F736-L739 HydrophobicContact CE1-CD1 4.37Å; F736-L752 HydrophobicContact CD1-CD1 4.32Å; F736-L752 HydrophobicContact CD1-CD2 4.32Å; F736-L752 HydrophobicContact CD2-CD2 4.36Å; F736-L752 HydrophobicContact CE1-CD1 4.41Å; F736-L752 HydrophobicContact CE1-CD2 4.2Å; F736-L752 HydrophobicContact CE1-CG 4.39Å; F736-L752 HydrophobicContact CE2-CD2 4.25Å; F736-L752 HydrophobicContact CG-CD2 4.41Å; F736-L752 HydrophobicContact CZ-CD2 4.17Å
737Q35.4Very low35.9Very low161 Ų161102.4 Ų102.475%0.75256%0.556SS**Hα-helixtrans-74.8-26179.6-70.3-168.3-20.600113.5N734N734-Q737 PolarHBondContact O-N 3.33Å; N734-Q737 VanDerWaalsContact O-N 3.17Å
738D32.1Very low35.3Very low145 Ų145101.4 Ų101.478%0.77555%0.554SS**THydrogen-bonded Turntrans-87.30.4-176.2-60.2-44.2000114.1S740D738-S740 PolarHBondContact O-N 3.44Å
739L30.4Very low34.7Very low110 Ų110101 Ų10158%0.57655%0.547SS*.  trans-81109.5-179.8-78.1168.2000112F736 V741F736-L739 HydrophobicContact CD1-CD1 3.88Å; F736-L739 HydrophobicContact CE1-CD1 4.37Å; L739-V741 VanDerWaalsContact C-N 3.31Å; L739-V741 HydrophobicContact CB-CG2 4.41Å; L739-V741 PolarHBondContact O-N 3.25Å
740S29.2Very low34.5Very low118 Ų118103 Ų10383%0.82555%0.554SS**  trans-71.781.2168.560.10000111D738 S742D738-S740 PolarHBondContact O-N 3.44Å; S740-S742 PolarHBondContact O-N 3.24Å; S740-S742 VanDerWaalsContact O-N 3.09Å
741V33.2Very low33.7Very low85 Ų85102.9 Ų102.952%0.51556%0.559SS.*  trans-65.7107.5-176-176.30000111.7L739 D745L739-V741 VanDerWaalsContact C-N 3.31Å; L739-V741 HydrophobicContact CB-CG2 4.41Å; L739-V741 PolarHBondContact O-N 3.25Å; V741-D745 HydrophobicContact CG1-CB 4.1Å
742S29.9Very low33.1Very low75 Ų75101.4 Ų101.452%0.52455%0.548SS..  trans-74.6155.1164.2490000111.2S740 D744S740-S742 PolarHBondContact O-N 3.24Å; S740-S742 VanDerWaalsContact O-N 3.09Å; S742-D744 PolarHBondContact O-N 3.46Å
743G31.1Very low32.8Very low68 Ų6899.4 Ų99.470%0.70154%0.539SS*.THydrogen-bonded Turntrans-66.3-3.3-166.800000117.7D745G743-D745 VanDerWaalsContact C-N 3.34Å
744D31.4Very low32.7Very low148 Ų14898.6 Ų98.679%0.79154%0.54SS*.THydrogen-bonded Turntrans-81.9-10.8-176.5-57.7-59.7000113.8S742 Y746S742-D744 PolarHBondContact O-N 3.46Å; D744-Y746 VanDerWaalsContact C-N 3.34Å; D744-Y746 PolarHBondContact O-N 2.89Å
745D34.2Very low32.4Very low67 Ų6799.2 Ų99.236%0.35854%0.543SS..  trans-91.628.3-158.5-125.128000115.3V741 G743 A747 N748V741-D745 HydrophobicContact CG1-CB 4.1Å; G743-D745 VanDerWaalsContact C-N 3.34Å; D745-A747 PolarHBondContact O-N 3.48Å; D745-N748 PolarHBondContact O-N 3.19Å; D745-N748 PolarHBondContact OD1-ND2 3.48Å; D745-N748 VanDerWaalsContact OD1-ND2 3.14Å; D745-N748 PolarHBondContact OD2-ND2 3.42Å
746Y33.6Very low32.2Very low129 Ų12997.3 Ų97.351%0.50654%0.539SS..Hα-helixtrans-56.9-23.4-174.9-154.9-94000113.9D744 M1134D744-Y746 VanDerWaalsContact C-N 3.34Å; D744-Y746 PolarHBondContact O-N 2.89Å; Y746-M1134 HydrophobicContact CE2-CE 4.33Å
747A32.4Very low32.2Very low67 Ų6795.1 Ų95.155%0.55454%0.542SS*.Hα-helixtrans-77.7-29.3175.600000113.9D745 Y749 Q750D745-A747 PolarHBondContact O-N 3.48Å; A747-Y749 PolarHBondContact O-N 3.42Å; A747-Q750 PolarHBondContact O-N 3.5Å
748N32.7Very low32Very low88 Ų8894.6 Ų94.647%0.47154%0.539SS..Hα-helixtrans-73.9-27.2-174.6-81.2-19000112.7D745 Q750 C751 L752D745-N748 PolarHBondContact O-N 3.19Å; D745-N748 PolarHBondContact OD1-ND2 3.48Å; D745-N748 VanDerWaalsContact OD1-ND2 3.14Å; D745-N748 PolarHBondContact OD2-ND2 3.42Å; N748-Q750 VanDerWaalsContact C-N 3.35Å; N748-Q750 PolarHBondContact O-N 3.39Å; N748-C751 WeakPolarHBondContact O-CB 3.41Å; N748-C751 PolarHBondContact O-N 2.7Å; N748-L752 PolarHBondContact O-N 3.22Å
749Y31.9Very low31.9Very low128 Ų12890.6 Ų90.650%0.50253%0.526SS..Hα-helixtrans-65-34.5171.2-92.1-88.3000113.2A747 C751 L752 E753A747-Y749 PolarHBondContact O-N 3.42Å; Y749-C751 PolarHBondContact O-N 2.73Å; Y749-L752 PolarHBondContact O-N 3.24Å; Y749-E753 PolarHBondContact O-N 2.99Å
750Q35Very low31.9Very low119 Ų11990 Ų9056%0.55653%0.531SS*.Hα-helixtrans-64.7-30.6175.4-62.9-176.3-22.800111.9A747 N748 S754A747-Q750 PolarHBondContact O-N 3.5Å; N748-Q750 VanDerWaalsContact C-N 3.35Å; N748-Q750 PolarHBondContact O-N 3.39Å; Q750-S754 WeakPolarHBondContact O-CB 3.47Å; Q750-S754 PolarHBondContact O-N 3.19Å; Q750-S754 VanDerWaalsContact O-N 3.16Å; Q750-S754 PolarHBondContact O-OG 2.88Å
751C31.3Very low32Very low71 Ų7193.2 Ų93.248%0.4853%0.525SS..Hα-helixtrans-70.4-38.7173.7-164.80000112.2N748 Y749 S754 L755N748-C751 WeakPolarHBondContact O-CB 3.41Å; N748-C751 PolarHBondContact O-N 2.7Å; Y749-C751 PolarHBondContact O-N 2.73Å; C751-S754 WeakPolarHBondContact O-CB 3.42Å; C751-S754 PolarHBondContact O-N 2.71Å; C751-L755 PolarHBondContact O-N 3.48Å
752L31.7Very low31.6Very low45 Ų4597.4 Ų97.424%0.23654%0.539CS..Hα-helixtrans-64.9-45.1177.9-91.4163.7000112.9F736 N748 Y749 S754 L755 L756F736-L752 HydrophobicContact CD1-CD1 4.32Å; F736-L752 HydrophobicContact CD1-CD2 4.32Å; F736-L752 HydrophobicContact CD2-CD2 4.36Å; F736-L752 HydrophobicContact CE1-CD1 4.41Å; F736-L752 HydrophobicContact CE1-CD2 4.2Å; F736-L752 HydrophobicContact CE1-CG 4.39Å; F736-L752 HydrophobicContact CE2-CD2 4.25Å; F736-L752 HydrophobicContact CG-CD2 4.41Å; F736-L752 HydrophobicContact CZ-CD2 4.17Å; N748-L752 PolarHBondContact O-N 3.22Å; Y749-L752 PolarHBondContact O-N 3.24Å; L752-S754 VanDerWaalsContact C-N 3.33Å; L752-L755 PolarHBondContact O-N 2.9Å; L752-L756 WeakPolarHBondContact O-CB 3.46Å; L752-L756 WeakPolarHBondContact O-CG 3.34Å; L752-L756 PolarHBondContact O-N 3.46Å
753E32.4Very low31.5Very low73 Ų7399.8 Ų99.834%0.34155%0.553SS.*Hα-helixtrans-63.5-39.5171.7-81.1-138.211300112.1Y749 L755 L756 G757 N947 W1133Y749-E753 PolarHBondContact O-N 2.99Å; E753-L755 PolarHBondContact O-N 2.87Å; E753-L756 PolarHBondContact O-N 2.95Å; E753-G757 PolarHBondContact O-N 3.45Å; E753-N947 PolarHBondContact OE2-ND2 3.24Å; E753-W1133 HydrophobicContact CG-CH2 4.36Å; E753-W1133 WeakPolarHBondContact OE1-CH2 3.45Å; E753-W1133 WeakPolarHBondContact OE2-CZ2 3.19Å
754S33.5Very low31.3Very low63 Ų63103.9 Ų103.944%0.44156%0.558SS.*Hα-helixtrans-60.8-27.9176.5-63.50000113.1Q750 C751 L752 Q758Q750-S754 WeakPolarHBondContact O-CB 3.47Å; Q750-S754 PolarHBondContact O-N 3.19Å; Q750-S754 VanDerWaalsContact O-N 3.16Å; Q750-S754 PolarHBondContact O-OG 2.88Å; C751-S754 WeakPolarHBondContact O-CB 3.42Å; C751-S754 PolarHBondContact O-N 2.71Å; L752-S754 VanDerWaalsContact C-N 3.33Å; S754-Q758 WeakPolarHBondContact O-CG 3.08Å; S754-Q758 PolarHBondContact O-NE2 2.87Å
755L30Very low31.2Very low101 Ų101101.2 Ų101.253%0.52956%0.557SS.*Hα-helixtrans-84.3-47.7174.8-80160.1000112.3C751 L752 E753 Q758 A759C751-L755 PolarHBondContact O-N 3.48Å; L752-L755 PolarHBondContact O-N 2.9Å; E753-L755 PolarHBondContact O-N 2.87Å; L755-Q758 PolarHBondContact O-N 2.92Å; L755-A759 PolarHBondContact O-N 3.12Å
756L32Very low31.1Very low93 Ų93104.2 Ų104.249%0.48758%0.58SS.*Hα-helixtrans-67.1-38.1-178.6-72.5165.4000112.3L752 E753 Q758 A759L752-L756 WeakPolarHBondContact O-CB 3.46Å; L752-L756 WeakPolarHBondContact O-CG 3.34Å; L752-L756 PolarHBondContact O-N 3.46Å; E753-L756 PolarHBondContact O-N 2.95Å; L756-Q758 PolarHBondContact O-N 3.28Å; L756-A759 PolarHBondContact O-N 3.29Å; L756-A759 VanDerWaalsContact O-N 3.09Å
757G33.1Very low30.9Very low44 Ų44102.9 Ų102.945%0.45460%0.595SS.*Hα-helixtrans-67.2-15.2175.500000114.8E753E753-G757 PolarHBondContact O-N 3.45Å
758Q31.4Very low30.7Very low150 Ų150105.1 Ų105.170%0.70160%0.604SS**Hα-helixtrans-87.2-23.6171.3-72.7-18065.400112.7S754 L755 L756S754-Q758 WeakPolarHBondContact O-CG 3.08Å; S754-Q758 PolarHBondContact O-NE2 2.87Å; L755-Q758 PolarHBondContact O-N 2.92Å; L756-Q758 PolarHBondContact O-N 3.28Å
759A29.4Very low30.4Very low60 Ų60106.2 Ų106.250%0.49662%0.619SS.*Hα-helixtrans-77.1-29.5-178.500000113.6L729 L755 L756 R761L729-A759 HydrophobicContact CD1-CB 4.23Å; L755-A759 PolarHBondContact O-N 3.12Å; L756-A759 PolarHBondContact O-N 3.29Å; L756-A759 VanDerWaalsContact O-N 3.09Å; A759-R761 PolarHBondContact O-N 3.5Å
760S30.9Very low30.3Very low98 Ų98105.5 Ų105.569%0.68563%0.627SS**THydrogen-bonded Turntrans-88.15.5-174.962.90000115.5
761R30.3Very low29.7Very low186 Ų186108.2 Ų108.270%0.70264%0.64SS**  trans-127.258.4-176.4-68.5-165.7178.4-144.75.3114.3A759A759-R761 PolarHBondContact O-N 3.5Å
762Q25Very low29.5Very low173 Ų173112.6 Ų112.681%0.80866%0.655SS**  trans-112.7111.7159.1-73.2-165.6-7.600110.9
763P29Very low29.2Very low125 Ų125117.1 Ų117.181%0.81268%0.675SS**PPolyproline II helixtrans-73126.3164.3-7.724.5000109.2
764L27.2Very low29Very low153 Ų153119.7 Ų119.780%0.80169%0.692SS**PPolyproline II helixtrans-74.1128.3163.7-76.296.8000109.1
765A28.1Very low28.7Very low93 Ų93121.8 Ų121.877%0.76970%0.701SS**PPolyproline II helixtrans-84.6138.7174.700000110.9
766P32.8Very low28.5Very low130 Ų130124.1 Ų124.184%0.84471%0.714SS**PPolyproline II helixtrans-66.1148.8168.4-17.331.3000112
767A29.9Very low28.2Very low101 Ų101124.6 Ų124.684%0.83572%0.724SS**PPolyproline II helixtrans-88.8152.6175.200000112.1
768P27.3Very low28Very low113 Ų113129.1 Ų129.173%0.73474%0.743SS**  trans-108.4168.6-169.640.4-36000116.8
769S25.5Very low27.8Very low112 Ų112129.1 Ų129.178%0.78375%0.747SS**  trans74.2155.7162.368.30000117.3
770V29.8Very low28Very low113 Ų113131.1 Ų131.169%0.68576%0.755SS**  cis-150.2128.532.5169.70000114.8
771Q24.2Very low27.9Very low176 Ų176132.1 Ų132.182%0.82276%0.762SS**  trans49.8162.4141.7-61.5179.6-48.900128
772M26.3Very low27.8Very low162 Ų162126.4 Ų126.480%0.79876%0.762SS**  trans86.5136.8160.4-72.5-176162.200120.4
773E25.2Very low28Very low141 Ų141124.5 Ų124.566%0.65976%0.762SS**  cis-169.4161.5-24.6-142.3177.7-131.100112.4
774N28.1Very low27.9Very low127 Ų127130.1 Ų130.168%0.67977%0.767SS**  trans72.9149156-62.9-35.1000120.1
775V26.7Very low27.9Very low107 Ų107127.2 Ų127.265%0.64876%0.759SS**  cis-169.2148.4-8.6114.30000114
776L26Very low27.8Very low150 Ų150127.7 Ų127.779%0.78576%0.757SS**  trans59.1153160.6-89.644.7000120.9
777C25.3Very low27.5Very low103 Ų103131.1 Ų131.170%0.69676%0.759SS**  cis-174.1168.2-25.2-118.40000114.3
778T29.1Very low27.3Very low139 Ų139132 Ų13285%0.85376%0.756SS**  trans81.6118.415848.70000122.9
779D26.8Very low27.2Very low150 Ų150132.9 Ų132.980%0.80276%0.755SS**  trans-96.9-166.6164.5-148.313.7000108.4
780P34.1Very low27.1Very low102 Ų102135.3 Ų135.366%0.66275%0.754SS**  cis-147.5-177.713.945.7-24.4000120.2
781S28.7Very low26.9Very low118 Ų118134.4 Ų134.483%0.82575%0.753SS**  trans87.6144.5144.679.80000120.9
782G29.8Very low27Very low67 Ų67132.7 Ų132.769%0.69175%0.748SS**  trans-176.1-10.7-178.100000123.6
783T29.2Very low26.9Very low133 Ų133134.8 Ų134.882%0.81675%0.749SS**  trans53.4128.6168.850.70000122.9
784R26.5Very low27Very low243 Ų243134.3 Ų134.392%0.91775%0.748SS**  trans61.7152.4144-80.4-178.4167.8-177.7-4.2119.3
785S27.3Very low26.9Very low92 Ų92133.1 Ų133.164%0.64375%0.749SS**  cis-165.6148.6-3.8430000112.6
786S26.6Very low26.8Very low103 Ų103132.2 Ų132.272%0.7275%0.748SS**  trans49.4132.3148.6590000122.3
787F25.8Very low26.9Very low201 Ų201134 Ų13488%0.88275%0.749SS**  trans-33.2154.8165.1-55.8-91000117.1
788P25.6Very low26.9Very low119 Ų119136.7 Ų136.777%0.77376%0.756SS**  -121.5164.1110.436.4-34.6000113.5
789N24Very low27.1Very low133 Ų133135.4 Ų135.471%0.71175%0.75SS**  trans-97.8134.6171.8-166.458.9000109.3
790E25.2Very low27.2Very low163 Ų163132 Ų13276%0.76274%0.743SS**  trans63175.1173.8-60.7166.1-166.400113
791S25.5Very low27Very low94 Ų94135.3 Ų135.366%0.65775%0.749SS**  cis-168.7168.527.664.60000113.4
792L25.4Very low27Very low139 Ų139137 Ų13773%0.72875%0.747SS**  trans51.2127.9140.5-67.8161.2000121.7
793Y24.3Very low27Very low207 Ų207141 Ų14181%0.81275%0.753SS**SBend-99.1141.1114.4-88.8-132.9000106.5
794M26.7Very low27.1Very low131 Ų131137.6 Ų137.665%0.64574%0.743SS**  cis-144.5167.29.5-117.2-80.2179.800112.7
795S25.7Very low27.4Very low101 Ų101132.4 Ų132.471%0.70673%0.734SS**  trans-39.6167.7173.2-48.60000117.1
796S26.3Very low27.6Very low89 Ų89134.1 Ų134.162%0.62274%0.741SS**  cis-165155.827.283.80000116.1
797K26.8Very low27.8Very low187 Ų187137.5 Ų137.581%0.81374%0.738SS**  trans63.8148146.6-68.6168.3-178.1175.20118.8
798L25.7Very low28.1Very low160 Ų160131 Ų13184%0.83872%0.715SS**  cis-155.8-164-25.6-144.375.1000107.4
799P33.1Very low28.3Very low111 Ų111130 Ų13072%0.72171%0.71SS**  -127.8-159.5-123.146-27.1000116.4
800A29.9Very low28.7Very low80 Ų80128.7 Ų128.766%0.66171%0.707SS**  trans90.7139.8160.500000118.3
801Q29.7Very low28.9Very low170 Ų170125.4 Ų125.479%0.79471%0.708SS**  cis-165.6147.1-4.9-116168.90.400113.1
802I28Very low29.5Very low153 Ų153126.6 Ų126.679%0.78571%0.713SS**  trans68.8144.9149.5-59.9161.2000118.9
803L29.4Very low29.6Very low153 Ų153126.1 Ų126.180%0.80172%0.716SS**  cis178.5166.5-27.8-174.256.3000107.6
804G32.6Very low29.9Very low60 Ų60121.2 Ų121.262%0.61971%0.713SS**  cis163.5173.3-7.200000110
805N32.6Very low30Very low134 Ų134122.6 Ų122.672%0.71772%0.722SS**  cis-171.9134.7-17.2-82.9-25.9000114.7
806T29.9Very low30.2Very low129 Ų129123.5 Ų123.579%0.79173%0.728SS**  trans71-175.8157.467.30000120.6
807R31.6Very low30.3Very low173 Ų173122.6 Ų122.665%0.65373%0.733SS**  cis-167.2162.815.5-142.4162.4-164.3-87.23.6116.2D494D494-R807 VanDerWaalsContact CG-NH1 3.35Å; D494-R807 VanDerWaalsContact OD1-CD 3.27Å; D494-R807 WeakPolarHBondContact OD1-CD 3.48Å; D494-R807 IonicContact OD1-CZ 3.17Å; D494-R807 IonicContact OD1-NE 3.81Å; D494-R807 IonicContact OD1-NH1 3.33Å; D494-R807 PolarHBondContact OD1-NH1 3.49Å; D494-R807 IonicContact OD2-NH1 3.64Å
808T32.1Very low30.5Very low65 Ų65123.4 Ų123.440%0.39974%0.739SS.*  trans75.7167.5159.569.60000123.8D494 P495 G496D494-T808 WeakPolarHBondContact OD1-CG2 3.42Å; P495-T808 HydrophobicContact CB-CG2 3.73Å; G496-T808 PolarHBondContact N-OG1 3.09Å
809S30.8Very low30.5Very low97 Ų97119 Ų11968%0.67873%0.727SS**  cis-178.1168.3-42.1-165.30000114.9
810T31.5Very low30.2Very low106 Ų106122.3 Ų122.365%0.6573%0.732SS**  trans73.7155.6164.165.40000121.7
811A29.7Very low30Very low94 Ų94124.8 Ų124.878%0.77773%0.734SS**  cis-170.8166-24.800000113.7
812P37.2Very low29.9Very low119 Ų119124.2 Ų124.277%0.77373%0.731SS**  trans-133.8-168.5-171.744.4-28.7000118.3
813T28.9Very low29.8Very low129 Ų129122.4 Ų122.479%0.79173%0.727SS**  trans150155.1138.6-60.20000119
814S30.7Very low29.7Very low105 Ų105118.9 Ų118.973%0.73472%0.72SS**  trans97.3156.7156.380.70000121.3
815L26.9Very low29.2Very low160 Ų160127 Ų12784%0.83873%0.733SS**  cis-168.6175.8-21.3-110.9174000115.5
816S30.2Very low29Very low119 Ų119125.7 Ų125.783%0.83274%0.735SS**  trans68.6143.4160.970.30000122.6
817G29.6Very low28.9Very low70 Ų70126.4 Ų126.472%0.72273%0.734SS**  cis172.6153.7-17.300000117.5
818Q29.5Very low28.8Very low204 Ų204125.6 Ų125.695%0.95374%0.742SS**  trans71.6155.7166-57.1-174.3-69.800122
819A25.7Very low28.4Very low69 Ų69129.4 Ų129.457%0.5776%0.76SS**  cis-175.8152.4-36.800000113.8
820E26.9Very low28.4Very low180 Ų180130.7 Ų130.784%0.84177%0.769SS**  trans61.9158.2145.5-79.9151.4-138.800122.9
821L26.5Very low28.3Very low132 Ų132135.1 Ų135.169%0.69178%0.782SS**  cis-163.5171.9-22.8-158.764.4000111
822E26.7Very low28.3Very low157 Ų157136 Ų13673%0.73478%0.782SS**  trans66.3168.7158.8-58.2-143.8145.100122.5
823T27Very low27.9Very low116 Ų116140.7 Ų140.771%0.71279%0.791SS**  cis-166.6152.9-43-79.80000110.8
824A27.1Very low27.9Very low78 Ų78138 Ų13865%0.64579%0.789SS**  trans68.7128.1157.900000124.7
825Y22.9Very low28.1Very low230 Ų230139.8 Ų139.890%0.90280%0.796SS**  trans26.4118.4140.9-61.6-87000122.9
826S27.8Very low28.4Very low107 Ų107137.7 Ų137.775%0.74879%0.794SS**  -172.4148.1117.543.40000113.3
827N28.6Very low28.7Very low144 Ų144140.5 Ų140.577%0.7779%0.792SS**  trans37.7110157.5-50.2-23.4000119.1
828L27.9Very low29.4Very low157 Ų157141.4 Ų141.482%0.82278%0.783SS**  64.9134.976.9-77.8164.1000116.1
829D25.1Very low30.2Very low144 Ų144135 Ų13577%0.7776%0.755SS**  trans6290.2168.5-64-16.9000120.4
830S30.3Very low31.3Very low124 Ų124135 Ų13587%0.86775%0.751SS**  -166.1121.1117.532.30000112.6
831H28.8Very low32.7Very low200 Ų200130.6 Ų130.693%0.92673%0.733SS**  trans-79.8130.3173.3-79-77000111.3
832S29.8Very low34.6Very low113 Ų113131 Ų13179%0.7973%0.726SS**  trans-132.6154.9161.162.50000110.1
833F28.6Very low37Very low216 Ų216124.7 Ų124.795%0.94770%0.696SS**PPolyproline II helixtrans-67.3139.5-165-91-112.8000113.3
834G29.8Very low38.9Very low74 Ų74122.2 Ų122.276%0.76369%0.693SS**PPolyproline II helixtrans-65143.1-175.700000114.4
835T34.9Very low41.6Very low142 Ų142124.2 Ų124.287%0.87169%0.693SS**PPolyproline II helixtrans-60.2133.5174.149.80000112K837T835-K837 PolarHBondContact O-N 3.25Å
836S33Very low44.6Very low115 Ų115114.2 Ų114.280%0.80465%0.654SS**PPolyproline II helixtrans-57.3124.9178.7-171.40000111.5
837K36.9Very low47.3Very low178 Ų178114.3 Ų114.377%0.77465%0.646SS**PPolyproline II helixtrans-53.6145.1157.9-71.4-172.6174.9-174.40108.7T835T835-K837 PolarHBondContact O-N 3.25Å
838T42.9Very low50.2Low89 Ų89112 Ų11255%0.54664%0.637SS.*PPolyproline II helixtrans-69.6141.2178.620.50000109.9S840 D841T838-S840 WeakPolarHBondContact CB-OG 3.24Å; T838-S840 PolarHBondContact O-N 2.73Å; T838-S840 VanDerWaalsContact O-N 3.1Å; T838-D841 PolarHBondContact N-OD2 3.47Å; T838-D841 VanDerWaalsContact O-CB 3.31Å; T838-D841 WeakPolarHBondContact O-CB 3.42Å; T838-D841 PolarHBondContact O-N 3.43Å; T838-D841 VanDerWaalsContact OG1-CG 3.25Å; T838-D841 PolarHBondContact OG1-OD1 3.04Å; T838-D841 PolarHBondContact OG1-OD2 3.42Å
839L48Very low53.1Low69 Ų69106.9 Ų106.936%0.36161%0.61SS.*G310 helixtrans-64.4-19.2-174.1-126.3166.5000112.6D841 R842 F843 Y943L839-D841 PolarHBondContact O-N 2.74Å; L839-R842 HydrophobicContact CD2-CG 4.25Å; L839-F843 HydrophobicContact CD2-CE2 3.99Å; L839-F843 WeakPolarHBondContact O-CD2 3.29Å; L839-Y943 HydrophobicContact CD1-CD1 4.49Å; L839-Y943 HydrophobicContact CD1-CE1 4.1Å; L839-Y943 HydrophobicContact CD2-CE1 4.02Å
840S48.2Very low56.1Low71 Ų71103.9 Ų103.950%0.49760%0.599SS.*G310 helixtrans-53.3-39.4165.7390000113.2T838 R842 F843T838-S840 WeakPolarHBondContact CB-OG 3.24Å; T838-S840 PolarHBondContact O-N 2.73Å; T838-S840 VanDerWaalsContact O-N 3.1Å; S840-R842 PolarHBondContact O-N 3.25Å; S840-F843 PolarHBondContact O-N 3.29Å; S840-F843 VanDerWaalsContact O-N 3.14Å
841D55.2Low58.9Low86 Ų8698.9 Ų98.946%0.4656%0.564SS.*G310 helixtrans-77-16.5-166.7-38.9-20.2000110.8T838 L839 F843T838-D841 PolarHBondContact N-OD2 3.47Å; T838-D841 VanDerWaalsContact O-CB 3.31Å; T838-D841 WeakPolarHBondContact O-CB 3.42Å; T838-D841 PolarHBondContact O-N 3.43Å; T838-D841 VanDerWaalsContact OG1-CG 3.25Å; T838-D841 PolarHBondContact OG1-OD1 3.04Å; T838-D841 PolarHBondContact OG1-OD2 3.42Å; L839-D841 PolarHBondContact O-N 2.74Å; D841-F843 PolarHBondContact O-N 3.16Å
842R67.7Low61.7Low140 Ų14092.9 Ų92.953%0.52854%0.536SS..G310 helixtrans-70-18.3172-58.4-164.7-161.9162.44.1113.4L839 S840 E945L839-R842 HydrophobicContact CD2-CG 4.25Å; S840-R842 PolarHBondContact O-N 3.25Å; R842-E945 IonicContact NH1-OE1 3.46Å; R842-E945 PolarHBondContact NH1-OE1 3.08Å
843F77Confident64.1Low26 Ų2692 Ų9211%0.11452%0.515CS..G310 helixtrans-120.816.7-172.1-60.8-84.2000113.5L839 S840 D841 D845 F846 I906 A907 Y943 Y1033L839-F843 HydrophobicContact CD2-CE2 3.99Å; L839-F843 WeakPolarHBondContact O-CD2 3.29Å; S840-F843 PolarHBondContact O-N 3.29Å; S840-F843 VanDerWaalsContact O-N 3.14Å; D841-F843 PolarHBondContact O-N 3.16Å; F843-D845 PolarHBondContact O-N 3.39Å; F843-F846 HydrophobicContact CB-CD2 4.05Å; F843-F846 HydrophobicContact CB-CE2 4.46Å; F843-F846 AromaticContact CD1-CD2 3.88Å; F843-F846 HydrophobicContact CD1-CD2 3.88Å; F843-F846 HydrophobicContact CD1-CE1 4.25Å; F843-F846 AromaticContact CD1-CE2 3.55Å; F843-F846 HydrophobicContact CD1-CE2 3.55Å; F843-F846 HydrophobicContact CD1-CG 4.36Å; F843-F846 AromaticContact CD1-CZ 3.77Å; F843-F846 HydrophobicContact CD1-CZ 3.77Å; F843-F846 HydrophobicContact CE1-CE2 4.25Å; F843-F846 HydrophobicContact CE1-CZ 4.12Å; F843-F846 HydrophobicContact CG-CD2 4.45Å; F843-F846 HydrophobicContact CG-CE2 4.41Å; F843-F846 PolarHBondContact O-N 3.39Å; F843-I906 HydrophobicContact CE1-CG2 4.28Å; F843-A907 HydrophobicContact CZ-CB 4.38Å; F843-Y943 HydrophobicContact CE2-CE2 4.12Å; F843-Y943 VanDerWaalsContact CE2-OH 3.22Å; F843-Y943 WeakPolarHBondContact CE2-OH 3.22Å; F843-Y943 HydrophobicContact CZ-CE2 4.5Å; F843-Y943 VanDerWaalsContact CZ-OH 3.26Å; F843-Y943 WeakPolarHBondContact CZ-OH 3.47Å; F843-Y1033 HydrophobicContact CB-CD1 4.18Å; F843-Y1033 HydrophobicContact CB-CE1 3.74Å; F843-Y1033 AromaticContact CD1-CD1 3.49Å; F843-Y1033 HydrophobicContact CD1-CD1 3.49Å; F843-Y1033 VanDerWaalsContact CD1-CD1 3.49Å; F843-Y1033 HydrophobicContact CD1-CD2 4.42Å; F843-Y1033 AromaticContact CD1-CE1 3.9Å; F843-Y1033 HydrophobicContact CD1-CE1 3.9Å; F843-Y1033 AromaticContact CD1-CG 3.78Å; F843-Y1033 HydrophobicContact CD1-CG 3.78Å; F843-Y1033 HydrophobicContact CE1-CD1 4.13Å; F843-Y1033 HydrophobicContact CE1-CD2 4.41Å; F843-Y1033 AromaticContact CE1-CG 3.93Å; F843-Y1033 HydrophobicContact CE1-CG 3.93Å; F843-Y1033 AromaticContact CG-CD1 3.99Å; F843-Y1033 HydrophobicContact CG-CD1 3.99Å; F843-Y1033 AromaticContact CG-CE1 3.89Å; F843-Y1033 HydrophobicContact CG-CE1 3.89Å; F843-Y1033 HydrophobicContact CG-CG 4.46Å
844G67.5Low65.7Low63 Ų6383.6 Ų83.665%0.64948%0.483SS*.THydrogen-bonded Turntrans-60.7-31.1177.200000113.6F846G844-F846 VanDerWaalsContact C-N 3.27Å; G844-F846 PolarHBondContact O-N 2.75Å
845D82.1Confident66.5Low121 Ų12186.6 Ų86.665%0.64748%0.481SS*.THydrogen-bonded Turntrans-81.51.7-175.1-43.9-36.9000113.9F843F843-D845 PolarHBondContact O-N 3.39Å
846F85.8Confident66.7Low20 Ų2081.6 Ų81.69%0.08845%0.452CS..  trans-88.3121.4-172.5-80.5-113.2000112.1F843 G844 T848 I906 K1021 A1023 Y1033 E1035F843-F846 HydrophobicContact CB-CD2 4.05Å; F843-F846 HydrophobicContact CB-CE2 4.46Å; F843-F846 AromaticContact CD1-CD2 3.88Å; F843-F846 HydrophobicContact CD1-CD2 3.88Å; F843-F846 HydrophobicContact CD1-CE1 4.25Å; F843-F846 AromaticContact CD1-CE2 3.55Å; F843-F846 HydrophobicContact CD1-CE2 3.55Å; F843-F846 HydrophobicContact CD1-CG 4.36Å; F843-F846 AromaticContact CD1-CZ 3.77Å; F843-F846 HydrophobicContact CD1-CZ 3.77Å; F843-F846 HydrophobicContact CE1-CE2 4.25Å; F843-F846 HydrophobicContact CE1-CZ 4.12Å; F843-F846 HydrophobicContact CG-CD2 4.45Å; F843-F846 HydrophobicContact CG-CE2 4.41Å; F843-F846 PolarHBondContact O-N 3.39Å; G844-F846 VanDerWaalsContact C-N 3.27Å; G844-F846 PolarHBondContact O-N 2.75Å; F846-T848 PolarHBondContact O-N 3.08Å; F846-T848 VanDerWaalsContact O-N 3.14Å; F846-I906 HydrophobicContact CE1-CD1 3.7Å; F846-I906 HydrophobicContact CZ-CD1 3.64Å; F846-K1021 HydrophobicContact CD1-CB 3.81Å; F846-K1021 HydrophobicContact CD2-CB 4.05Å; F846-K1021 HydrophobicContact CD2-CD 4.41Å; F846-K1021 HydrophobicContact CE1-CB 3.8Å; F846-K1021 HydrophobicContact CE2-CB 4.06Å; F846-K1021 HydrophobicContact CE2-CD 3.89Å; F846-K1021 HydrophobicContact CE2-CG 4.45Å; F846-K1021 HydrophobicContact CG-CB 3.93Å; F846-K1021 HydrophobicContact CZ-CB 3.93Å; F846-K1021 HydrophobicContact CZ-CD 4.09Å; F846-K1021 HydrophobicContact CZ-CG 4.29Å; F846-A1023 HydrophobicContact CB-CB 4.09Å; F846-Y1033 AromaticContact CD1-CD1 3.9Å; F846-Y1033 HydrophobicContact CD1-CD1 3.9Å; F846-Y1033 HydrophobicContact CE1-CD1 4.33Å; F846-Y1033 HydrophobicContact CG-CD1 4.21Å; F846-E1035 VanDerWaalsContact CZ-OE1 3.28Å; F846-E1035 WeakPolarHBondContact CZ-OE1 3.37Å
847L85.8Confident66.7Low109 Ų10983 Ų8357%0.57146%0.455SS*.EExtended strand (participates in β ladder)trans-65.1114.1173.6-65.5177.6000109.7L849 K1021 I1022 A1023L847-L849 PolarHBondContact O-N 2.62Å; L847-K1021 PolarHBondContact N-O 2.82Å; L847-I1022 CarbonylContact O-C 3.55Å; L847-I1022 VanDerWaalsContact O-CA 3.32Å; L847-I1022 WeakPolarHBondContact O-CA 3.23Å; L847-A1023 PolarHBondContact O-N 3.2Å
848T88.1Confident66.2Low96 Ų9678.8 Ų78.859%0.58945%0.449SS*.EExtended strand (participates in β ladder)trans-75.8121.5176.7-60.70000109.7F846 A1023F846-T848 PolarHBondContact O-N 3.08Å; F846-T848 VanDerWaalsContact O-N 3.14Å; T848-A1023 WeakPolarHBondContact CA-O 3.38Å
849L88.8Confident65.7Low49 Ų4983.3 Ų83.326%0.25746%0.464SS..EExtended strand (participates in β ladder)trans-114.8133.3173.3-68.5-173.8000110.4L847 L986 I1022 A1023 Q1025L847-L849 PolarHBondContact O-N 2.62Å; L849-L986 HydrophobicContact CD1-CD1 4.26Å; L849-I1022 HydrophobicContact CB-CG2 4.06Å; L849-I1022 HydrophobicContact CD1-CD1 3.89Å; L849-I1022 HydrophobicContact CD1-CG2 3.83Å; L849-I1022 HydrophobicContact CG-CG2 3.89Å; L849-A1023 PolarHBondContact N-O 2.97Å; L849-Q1025 PolarHBondContact O-N 3.41Å
850P89.2Confident64.7Low81 Ų8184 Ų8453%0.52648%0.479SS..EExtended strand (participates in β ladder)trans-66.1149.5167.531.2-34.3000109.8E852P850-E852 PolarHBondContact O-N 3.02Å; P850-E852 VanDerWaalsContact O-N 3.15Å
851S88.8Confident63.8Low19 Ų1985.8 Ų85.813%0.13349%0.489CS..PPolyproline II helixtrans-60.4118.7164.9-1790000109.6G979 G980 Q1025S851-G979 WeakPolarHBondContact OG-CA 3.36Å; S851-G980 PolarHBondContact OG-N 3.34Å; S851-Q1025 VanDerWaalsContact CB-O 3.27Å; S851-Q1025 WeakPolarHBondContact CB-O 3.17Å; S851-Q1025 PolarHBondContact N-O 2.95Å
852E86.8Confident62.6Low74 Ų7487.2 Ų87.235%0.34650%0.503SS..PPolyproline II helixtrans-77162.6161.8-67.3172.1159.200109P850 F959 Y978 G980 D982P850-E852 PolarHBondContact O-N 3.02Å; P850-E852 VanDerWaalsContact O-N 3.15Å; E852-F959 HydrophobicContact CB-CE2 4.12Å; E852-F959 HydrophobicContact CB-CZ 4.47Å; E852-Y978 WeakPolarHBondContact O-CE1 3.45Å; E852-G980 PolarHBondContact N-O 3.48Å; E852-G980 WeakPolarHBondContact O-CA 3.38Å; E852-D982 VanDerWaalsContact OE2-CB 3.22Å; E852-D982 WeakPolarHBondContact OE2-CB 3.18Å; E852-D982 PolarHBondContact OE2-N 3.46Å
853R80.7Confident60.7Low94 Ų9492.1 Ų92.136%0.35552%0.521SS..  trans-116.1141.6170.8-73.3179169.8-132.94.9108.3L855 Y978 E1027R853-L855 PolarHBondContact O-N 2.8Å; R853-Y978 HydrophobicContact CG-CE1 4.23Å; R853-E1027 IonicContact CZ-OE1 3.64Å; R853-E1027 IonicContact CZ-OE2 3.35Å; R853-E1027 IonicContact NE-OE1 2.82Å; R853-E1027 PolarHBondContact NE-OE1 3.24Å; R853-E1027 IonicContact NE-OE2 3.32Å; R853-E1027 PolarHBondContact NE-OE2 3.23Å; R853-E1027 IonicContact NH2-OE1 3.6Å; R853-E1027 IonicContact NH2-OE2 2.64Å; R853-E1027 PolarHBondContact NH2-OE2 3.02Å
854C62.8Low58.7Low40 Ų4099 Ų9927%0.2755%0.554SS.*  trans-61105.9176.1-174.90000110S856 F959 S1511C854-S856 PolarHBondContact O-N 3.22Å; C854-F959 HydrophobicContact CB-CD1 3.98Å; C854-F959 HydrophobicContact CB-CD2 4.47Å; C854-F959 HydrophobicContact CB-CE1 3.91Å; C854-F959 HydrophobicContact CB-CE2 4.4Å; C854-F959 HydrophobicContact CB-CG 4.26Å; C854-F959 HydrophobicContact CB-CZ 4.11Å; C854-F959 VanDerWaalsContact N-CZ 3.33Å; C854-S1511 PolarHBondContact O-OG 3.27Å
855L46.3Very low56.8Low136 Ų136102.3 Ų102.371%0.71256%0.564SS**  trans-81.370.2171.7-71.4178.9000109R853 T857R853-L855 PolarHBondContact O-N 2.8Å; L855-T857 PolarHBondContact O-N 3.21Å
856S40Very low54.3Low38 Ų38101.2 Ų101.227%0.26657%0.566SS.*  trans-48.1121.3172.362.60000110.6C854 S858 T1509C854-S856 PolarHBondContact O-N 3.22Å; S856-S858 PolarHBondContact O-N 2.88Å; S856-T1509 WeakPolarHBondContact OG-CA 3.43Å; S856-T1509 VanDerWaalsContact OG-CB 3.22Å; S856-T1509 WeakPolarHBondContact OG-CB 3.45Å
857T31.7Very low51.8Low143 Ų143108.7 Ų108.788%0.87760%0.601SS**SBendtrans-61.395-158.1-150000113.7L855L855-T857 PolarHBondContact O-N 3.21Å
858S28Very low49.2Very low91 Ų91109 Ų10964%0.63661%0.612SS**  trans-160.369.4172.1-166.60000111S856S856-S858 PolarHBondContact O-N 2.88Å
859Q30.5Very low46.3Very low184 Ų184109.4 Ų109.486%0.8662%0.619SS**  trans-147.7147.1167.4-109.2162.536.500110.2
860A27.8Very low43.4Very low82 Ų82111.4 Ų111.468%0.67864%0.637SS**PPolyproline II helixtrans-75.9160.2-165.200000113.3
861P28.5Very low40.5Very low109 Ų109117 Ų11771%0.70865%0.649SS**PPolyproline II helixtrans-55.8153.1164.126.4-36.1000111R863P861-R863 PolarHBondContact O-N 3.46Å
862P30.7Very low37.7Very low116 Ų116121.7 Ų121.775%0.75367%0.672SS**PPolyproline II helixtrans-58.2125.1177.725-33.9000110H864P862-H864 PolarHBondContact O-N 3.12Å
863R28.2Very low34.8Very low243 Ų243128.3 Ų128.392%0.91770%0.695SS**PPolyproline II helixtrans-65.4117.6174.3-70.6-177175.8-173-1.9108.4P861P861-R863 PolarHBondContact O-N 3.46Å
864H34.2Very low32.2Very low172 Ų172129.8 Ų129.880%0.79671%0.71SS**PPolyproline II helixtrans-57.5137.3173.1-81.1-99.9000110.5P862 S866P862-H864 PolarHBondContact O-N 3.12Å; H864-S866 PolarHBondContact O-N 2.98Å
865P28.9Very low30.5Very low131 Ų131133.9 Ų133.985%0.85173%0.733SS**PPolyproline II helixtrans-69.7128.816430.4-32000108.5
866S29.8Very low29.6Very low99 Ų99131.6 Ų131.669%0.69273%0.729SS**  trans-130114.7174.154.20000110.7H864H864-S866 PolarHBondContact O-N 2.98Å
867Q31.4Very low29.1Very low176 Ų176136.8 Ų136.882%0.82275%0.753SS**  171.4135.5117.7-89.6167.133.200110.8
868S31.8Very low29.2Very low117 Ų117134.4 Ų134.482%0.81874%0.739SS**  trans60.1142.8165.853.80000119.9
869S28.1Very low29.4Very low104 Ų104134.7 Ų134.773%0.72774%0.739SS**  cis-173.9151.4-1947.90000112.6
870S28.4Very low29.4Very low90 Ų90130.4 Ų130.463%0.62973%0.729SS**  trans86.3125144.4-68.70000123.5
871Y27.7Very low29.6Very low198 Ų198136.9 Ų136.978%0.77674%0.736SS**  trans69.6155.5153.3-57.3-60.2000119.6
872D29Very low29.7Very low118 Ų118137 Ų13763%0.63174%0.735SS**  -161.3-166.8-70.7-81.6-12.8000106.4
873W25.8Very low29.8Very low214 Ų214135 Ų13581%0.81173%0.728SS**  cis-157.3-176.116.9-105.7112.1000111
874D27.2Very low29.7Very low125 Ų125130.3 Ų130.367%0.66872%0.721SS**  trans-67.8176.9175.7-73.5-67.8000115.2
875T27.6Very low29.7Very low125 Ų125130.6 Ų130.677%0.76773%0.728SS**  cis-164.114540.7-18.80000116.9
876S27.4Very low29.6Very low88 Ų88132.2 Ų132.262%0.61572%0.724SS**  trans36.7122.1144.564.40000123.8
877N27.7Very low29.4Very low147 Ų147135.4 Ų135.479%0.78673%0.733SS**  -179.4156.6101.6-94-39.3000114.6
878T34.9Very low29.4Very low93 Ų93133.6 Ų133.657%0.57173%0.734SS**  trans-131.1160.7-174.854.60000111.8T420T420-T878 WeakPolarHBondContact OG1-CB 3.35Å; T420-T878 VanDerWaalsContact OG1-CG2 3.23Å; T420-T878 WeakPolarHBondContact OG1-CG2 3.27Å
879P32.7Very low29.3Very low98 Ų98134.8 Ų134.864%0.63673%0.731SS**  -157-176.7101.340.8-20.1000117.3T420T420-P879 WeakPolarHBondContact CB-O 3.33Å; T420-P879 VanDerWaalsContact CG2-C 3.45Å; T420-P879 WeakPolarHBondContact CG2-O 3.24Å
880S30.1Very low29.4Very low94 Ų94141.7 Ų141.766%0.65774%0.741SS**  trans-87.9-170.9-163.4-460000116.7
881R31.5Very low29.5Very low217 Ų217144.1 Ų144.182%0.81975%0.746SS**  cis-173146.823.8-145.8-176.9-163.3-170.74.4113.6
882T31.8Very low29.6Very low112 Ų112139.8 Ų139.869%0.68774%0.742SS**  trans58.2153.9147.841.10000121.6
883A31.1Very low29.7Very low74 Ų74143.2 Ų143.261%0.61275%0.751SS**  cis-165.8171.9-9.900000112.9
884N27.9Very low30.3Very low144 Ų144137.5 Ų137.577%0.7774%0.743SS**  trans67.399.4157.7-66.30.1000121
885L32.3Very low31.5Very low179 Ų179133.6 Ų133.694%0.93773%0.733SS**  trans-136.3123.6134.2-99.6167.6000107.7
886Q27.2Very low33.2Very low165 Ų165131.1 Ų131.177%0.77172%0.715SS**  trans-117.8112.8176.5-72.4178.9-23.600108.2
887N26.4Very low35.7Very low166 Ų166128.3 Ų128.389%0.88869%0.693SS**  trans153.673.9159.4-82.1-17.1000109.8
888V31.4Very low38.4Very low137 Ų137122.7 Ų122.783%0.8366%0.663SS**  trans-137.3139.5168-1740000108.5
889D29.8Very low40.9Very low143 Ų143118.4 Ų118.477%0.76564%0.638SS**  trans-42.3136.7-159.2-56.8-70.9000119I891D889-I891 PolarHBondContact O-N 3.49Å
890R29.1Very low43.6Very low249 Ų249113.8 Ų113.894%0.9461%0.608SS**  trans-75.786.3167.4-67.6-172.8-176.3-170.23.5110.5P892R890-P892 WeakPolarHBondContact O-CD 3.33Å
891I30.4Very low46.5Very low141 Ų141109.4 Ų109.472%0.72358%0.577SS**  trans-60.3119.7169.3-56.6174000109.1D889 K893D889-I891 PolarHBondContact O-N 3.49Å; I891-K893 PolarHBondContact O-N 3.37Å
892P31.2Very low49.4Very low106 Ų106100 Ų10069%0.68854%0.542SS*.  trans-70.4126.3-178.427.3-33.4000111.3R890 S894R890-P892 WeakPolarHBondContact O-CD 3.33Å; P892-S894 VanDerWaalsContact C-N 3.35Å; P892-S894 PolarHBondContact O-N 3.35Å
893K31Very low52.3Low191 Ų19194.6 Ų94.683%0.8351%0.509SS*.  trans-92.226.1-175.3-70.6-172174.9-178.20114.5I891I891-K893 PolarHBondContact O-N 3.37Å
894S38.7Very low55.3Low93 Ų9392.6 Ų92.665%0.6549%0.487SS*.  trans-104.292.3178.3370000110.8P892 N896P892-S894 VanDerWaalsContact C-N 3.35Å; P892-S894 PolarHBondContact O-N 3.35Å; S894-N896 PolarHBondContact O-N 2.88Å
895G51.6Low58.4Low44 Ų4485.8 Ų85.845%0.45445%0.451SS..  trans-79.343.5-170.100000116.3K984G895-K984 PolarHBondContact O-NZ 3.47Å
896N64.1Low61.3Low72 Ų7278.4 Ų78.439%0.38541%0.412SS..  trans-114.5138.4-175.4-71.818.9000111.3S894 D956S894-N896 PolarHBondContact O-N 2.88Å; N896-D956 HydrophobicContact CB-CB 4.49Å; N896-D956 VanDerWaalsContact CB-OD1 3.26Å; N896-D956 WeakPolarHBondContact CB-OD1 3.48Å; N896-D956 PolarHBondContact ND2-OD1 3.25Å
897L78.6Confident64.4Low30 Ų3070.6 Ų70.616%0.15738%0.375CS..  trans-98.5102.9-179.2-60.7-179000110.9M954 D956 N957 L983 K984 L987L897-M954 HydrophobicContact CB-CE 3.46Å; L897-M954 VanDerWaalsContact CB-CE 3.46Å; L897-M954 HydrophobicContact CB-SD 4.45Å; L897-M954 HydrophobicContact CD1-CE 4.02Å; L897-M954 HydrophobicContact CG-CE 4.4Å; L897-D956 PolarHBondContact O-N 3.23Å; L897-N957 PolarHBondContact O-N 3.41Å; L897-L983 HydrophobicContact CD1-CB 3.75Å; L897-K984 HydrophobicContact CD1-CB 4.49Å; L897-L987 HydrophobicContact CD1-CD2 4.16Å; L897-L987 HydrophobicContact CD2-CD2 3.93Å
898N85.4Confident67.5Low28 Ų2862.7 Ų62.715%0.1533%0.333CS..  trans-120.9149.1-178.9-72.9-45.1000111.3E955 D956 H1038 L1041N898-E955 VanDerWaalsContact OD1-CA 3.27Å; N898-E955 WeakPolarHBondContact OD1-CA 3.36Å; N898-D956 PolarHBondContact ND2-OD1 3.16Å; N898-D956 PolarHBondContact OD1-N 2.85Å; N898-D956 PolarHBondContact OD1-OD1 3.14Å; N898-H1038 PolarHBondContact O-CE1 3.43Å; N898-H1038 PolarHBondContact O-NE2 3.15Å; N898-L1041 HydrophobicContact CB-CB 4.34Å; N898-L1041 HydrophobicContact CB-CD2 4.43Å; N898-L1041 PolarHBondContact O-N 2.74Å
899G87.1Confident70.4Confident4 Ų460.6 Ų60.64%0.04131%0.313CS..EExtended strand (participates in β ladder)trans123-142.8177.400000113.2M954 I1039G899-M954 PolarHBondContact N-O 3.22Å; G899-M954 PolarHBondContact O-N 3.35Å; G899-I1039 CarbonylContact C-O 3.6Å; G899-I1039 WeakPolarHBondContact CA-O 3.28Å
900L88.9Confident73Confident1 Ų155.4 Ų55.41%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-114.1133.4-177.4-162.770.4000111.1E951 H1038 I1039 L1044L900-E951 HydrophobicContact CD1-CB 4.16Å; L900-E951 HydrophobicContact CD2-CB 4.22Å; L900-E951 HydrophobicContact CD2-CG 4.11Å; L900-E951 HydrophobicContact CG-CB 4.36Å; L900-H1038 WeakPolarHBondContact O-CA 3.38Å; L900-H1038 PolarHBondContact O-CD2 2.91Å; L900-I1039 HydrophobicContact CB-CB 4.4Å; L900-I1039 PolarHBondContact N-O 3.04Å; L900-I1039 PolarHBondContact O-N 3.45Å; L900-L1044 HydrophobicContact CB-CD1 3.81Å; L900-L1044 HydrophobicContact CB-CD2 3.85Å; L900-L1044 HydrophobicContact CB-CG 4.44Å; L900-L1044 HydrophobicContact CD2-CD1 3.99Å; L900-L1044 HydrophobicContact CG-CD1 4.47Å
901F91.3Very high75.6Confident2 Ų243.6 Ų43.61%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-117.1121.6177.7-177.2-90.5000110.3L903 M927 L952 M954 L960 L983 L1036 H1038F901-L903 HydrophobicContact CD1-CB 4.31Å; F901-L903 HydrophobicContact CE1-CB 4.07Å; F901-M927 HydrophobicContact CB-CE 3.89Å; F901-M927 HydrophobicContact CD1-CE 3.6Å; F901-M927 HydrophobicContact CE1-CE 4.23Å; F901-M927 HydrophobicContact CG-CE 3.82Å; F901-L952 HydrophobicContact CB-CB 4.49Å; F901-L952 HydrophobicContact CD1-CD1 4.22Å; F901-L952 PolarHBondContact N-O 3.01Å; F901-L952 PolarHBondContact O-N 3.24Å; F901-M954 HydrophobicContact CB-CG 3.69Å; F901-M954 HydrophobicContact CB-SD 3.66Å; F901-M954 HydrophobicContact CD2-SD 3.91Å; F901-M954 HydrophobicContact CG-SD 4.11Å; F901-L960 HydrophobicContact CE1-CD2 3.81Å; F901-L960 HydrophobicContact CZ-CD2 3.94Å; F901-L983 HydrophobicContact CE2-CD2 3.76Å; F901-L983 HydrophobicContact CZ-CD2 3.8Å; F901-L1036 HydrophobicContact CE1-CD2 4.04Å; F901-L1036 HydrophobicContact CZ-CB 4.27Å; F901-L1036 HydrophobicContact CZ-CD1 4.1Å; F901-L1036 HydrophobicContact CZ-CD2 3.85Å; F901-L1036 HydrophobicContact CZ-CG 4.31Å; F901-H1038 HydrophobicContact CD2-CB 4.4Å
902I91.6Very high77.6Confident18 Ų1841.3 Ų41.39%0.09224%0.238CC..EExtended strand (participates in β ladder)trans-99.1121.3-177.8-51.2179.7000108.1V949 F950 E951 V1012 L1036 S1037 I1039I902-V949 HydrophobicContact CG2-CG1 3.68Å; I902-F950 WeakPolarHBondContact CA-O 3.15Å; I902-E951 HydrophobicContact CG1-CG 4.44Å; I902-V1012 HydrophobicContact CD1-CB 3.63Å; I902-V1012 HydrophobicContact CD1-CG1 4.14Å; I902-V1012 HydrophobicContact CD1-CG2 3.64Å; I902-L1036 WeakPolarHBondContact O-CA 3.32Å; I902-S1037 PolarHBondContact N-O 3.26Å; I902-S1037 PolarHBondContact O-N 3.46Å; I902-I1039 HydrophobicContact CD1-CD1 4.31Å
903L93.4Very high79.1Confident0 Ų036.9 Ų36.90%021%0.21CC..EExtended strand (participates in β ladder)trans-118.9109-179.9170.861.7000109.3F901 V905 I925 V949 F950 L952 L1034 L1036F901-L903 HydrophobicContact CD1-CB 4.31Å; F901-L903 HydrophobicContact CE1-CB 4.07Å; L903-V905 HydrophobicContact CG-CG2 4.25Å; L903-I925 HydrophobicContact CD2-CD1 3.71Å; L903-I925 HydrophobicContact CD2-CG1 3.96Å; L903-I925 HydrophobicContact CD2-CG2 3.75Å; L903-V949 WeakPolarHBondContact O-CA 3.14Å; L903-F950 PolarHBondContact N-O 3.31Å; L903-F950 PolarHBondContact O-N 2.98Å; L903-L952 HydrophobicContact CB-CD1 4.19Å; L903-L952 HydrophobicContact CD2-CD1 4.04Å; L903-L1034 HydrophobicContact CD1-CB 4.49Å; L903-L1034 HydrophobicContact CD1-CD1 4.18Å; L903-L1034 HydrophobicContact CD1-CD2 3.93Å; L903-L1034 HydrophobicContact CD1-CG 4.43Å; L903-L1036 HydrophobicContact CB-CD2 4.47Å; L903-L1036 HydrophobicContact CD1-CD2 3.33Å; L903-L1036 HydrophobicContact CG-CD2 4.48Å
904H93.1Very high80.4Confident32 Ų3231.6 Ų31.615%0.14819%0.194CC..EExtended strand (participates in β ladder)trans-96115.2169.8-176-171.1000109.3I906 N947 V949 L1034 E1035H904-I906 PolarHBondContact O-N 3.23Å; H904-N947 PolarHBondContact NE2-OD1 3.25Å; H904-V949 HydrophobicContact CB-CG2 4Å; H904-V949 VanDerWaalsContact CD2-CG2 3.46Å; H904-V949 WeakPolarHBondContact CD2-CG2 3.3Å; H904-L1034 VanDerWaalsContact O-CA 3.31Å; H904-L1034 WeakPolarHBondContact O-CA 3.46Å; H904-E1035 HydrophobicContact CB-CB 3.95Å; H904-E1035 PolarHBondContact N-O 3.41Å; H904-E1035 PolarHBondContact O-N 3.46Å
905V93.4Very high81.2Confident1 Ų136.6 Ų36.61%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-89.1100.3170.6-172.70000107.4L903 W946 N947 E948 F950 L1032 L1034L903-V905 HydrophobicContact CG-CG2 4.25Å; V905-W946 HydrophobicContact CB-CG 4.37Å; V905-W946 HydrophobicContact CG1-CB 4.03Å; V905-W946 HydrophobicContact CG1-CD2 3.91Å; V905-W946 HydrophobicContact CG1-CE3 4.15Å; V905-W946 HydrophobicContact CG1-CG 3.79Å; V905-N947 WeakPolarHBondContact O-CA 3.29Å; V905-N947 PolarHBondContact O-N 2.95Å; V905-E948 PolarHBondContact N-O 2.85Å; V905-E948 PolarHBondContact O-N 3.17Å; V905-E948 VanDerWaalsContact O-N 3.12Å; V905-F950 HydrophobicContact CG2-CE2 4.5Å; V905-L1032 HydrophobicContact CG1-CD1 3.86Å; V905-L1032 HydrophobicContact CG1-CD2 4.19Å; V905-L1032 HydrophobicContact CG1-CG 4.16Å; V905-L1034 HydrophobicContact CB-CD2 4.26Å; V905-L1034 HydrophobicContact CG1-CD2 4.21Å; V905-L1034 HydrophobicContact CG2-CD2 4.01Å
906I92.6Very high81.7Confident24 Ų2437.9 Ų37.912%0.12320%0.202CC..EExtended strand (participates in β ladder)trans-83-55.4-169.1-50.4171.1000110.9F843 F846 H904 W946 N947 Y1033 E1035F843-I906 HydrophobicContact CE1-CG2 4.28Å; F846-I906 HydrophobicContact CE1-CD1 3.7Å; F846-I906 HydrophobicContact CZ-CD1 3.64Å; H904-I906 PolarHBondContact O-N 3.23Å; I906-W946 PolarHBondContact O-N 3.23Å; I906-N947 PolarHBondContact O-N 2.96Å; I906-Y1033 WeakPolarHBondContact CB-O 3.46Å; I906-Y1033 PolarHBondContact N-O 3.35Å; I906-E1035 HydrophobicContact CD1-CB 3.96Å; I906-E1035 HydrophobicContact CD1-CG 3.69Å; I906-E1035 VanDerWaalsContact CD1-OE1 3.29Å; I906-E1035 WeakPolarHBondContact CD1-OE1 3.4Å; I906-E1035 HydrophobicContact CG1-CB 4.47Å
907A93.5Very high81.6Confident0 Ų041.2 Ų41.20%022%0.219CC..EExtended strand (participates in β ladder)trans-157.8151.1-171.100000112.5F843 Y943 F944 E945 Y1033F843-A907 HydrophobicContact CZ-CB 4.38Å; A907-Y943 HydrophobicContact CB-CE2 3.92Å; A907-F944 CarbonylContact C-O 3.44Å; A907-F944 VanDerWaalsContact CA-O 3.22Å; A907-F944 WeakPolarHBondContact CA-O 3.49Å; A907-F944 VanDerWaalsContact CB-O 3.31Å; A907-F944 WeakPolarHBondContact CB-O 3.38Å; A907-E945 HydrophobicContact CB-CG 4.44Å; A907-Y1033 HydrophobicContact CB-CD2 4.02Å; A907-Y1033 PolarHBondContact O-N 3.03Å
908G92.3Very high80.9Confident0 Ų043 Ų430%023%0.23CC..EExtended strand (participates in β ladder)trans-114.4138175.300000112.3Y943 F944G908-Y943 WeakPolarHBondContact O-CA 3.3Å; G908-F944 PolarHBondContact N-O 3.09Å; G908-F944 PolarHBondContact O-N 2.94Å
909K91.1Very high80.2Confident93 Ų9342.6 Ų42.640%0.40423%0.227SC..EExtended strand (participates in β ladder)trans-134.7135.3-179.2-173.9178.6-180179.30112.2L911 S942 Y943 G1030 V1031 Y1033K909-L911 VanDerWaalsContact C-N 3.27Å; K909-L911 PolarHBondContact O-N 2.99Å; K909-S942 CarbonylContact C-O 3.55Å; K909-S942 WeakPolarHBondContact CA-O 3.48Å; K909-Y943 HydrophobicContact CB-CD2 4.14Å; K909-Y943 HydrophobicContact CD-CD2 4.43Å; K909-Y943 HydrophobicContact CG-CD2 4.32Å; K909-G1030 CarbonylContact O-C 3.56Å; K909-G1030 WeakPolarHBondContact O-CA 3.13Å; K909-V1031 HydrophobicContact CB-CB 4.43Å; K909-V1031 PolarHBondContact N-O 3.43Å; K909-V1031 PolarHBondContact O-N 3.18Å; K909-Y1033 HydrophobicContact CB-CE2 3.91Å; K909-Y1033 HydrophobicContact CD-CE2 4.11Å; K909-Y1033 WeakPolarHBondContact CD-OH 3.33Å
910G85.1Confident79.9Confident35 Ų3542.9 Ų42.936%0.36123%0.227SC..SBendtrans74.91017600000115.3N912 S942G910-N912 PolarHBondContact O-N 3.42Å; G910-S942 PolarHBondContact N-O 3.32Å
911L83.5Confident79.9Confident1 Ų142.8 Ų42.81%0.00523%0.227CC..  trans-77.853.7-175.1-55.8174.5000112.1K909 S913 R919 L921 F944 L964 F977 L1026K909-L911 VanDerWaalsContact C-N 3.27Å; K909-L911 PolarHBondContact O-N 2.99Å; L911-S913 PolarHBondContact O-N 3.47Å; L911-R919 PolarHBondContact O-NH1 3.02Å; L911-L921 HydrophobicContact CB-CD1 4.35Å; L911-F944 HydrophobicContact CB-CE1 4.33Å; L911-F944 HydrophobicContact CD1-CE1 4.01Å; L911-F944 HydrophobicContact CD1-CZ 3.69Å; L911-L964 HydrophobicContact CD1-CD1 3.74Å; L911-L964 HydrophobicContact CD2-CD1 4.15Å; L911-F977 VanDerWaalsContact C-CZ 3.44Å; L911-F977 HydrophobicContact CB-CD2 4.37Å; L911-F977 HydrophobicContact CB-CE2 3.87Å; L911-F977 HydrophobicContact CB-CZ 4.06Å; L911-F977 HydrophobicContact CD2-CB 4.48Å; L911-F977 HydrophobicContact CD2-CD1 4.02Å; L911-F977 HydrophobicContact CD2-CD2 3.95Å; L911-F977 HydrophobicContact CD2-CE1 4.27Å; L911-F977 HydrophobicContact CD2-CE2 4.2Å; L911-F977 HydrophobicContact CD2-CG 3.87Å; L911-F977 HydrophobicContact CD2-CZ 4.36Å; L911-L1026 HydrophobicContact CD2-CD1 3.73Å
912N72.9Confident79.8Confident92 Ų9243.8 Ų43.849%0.49223%0.231SC..  trans-9290.7-174.2-73.410.2000111G910 R919G910-N912 PolarHBondContact O-N 3.42Å; N912-R919 PolarHBondContact OD1-NH1 3.41Å; N912-R919 PolarHBondContact OD1-NH2 3.28Å
913S62.1Low79.8Confident13 Ų1343 Ų439%0.09123%0.227CC..  trans-98.3107.4171.9178.90000111.3L911 Q966 C976L911-S913 PolarHBondContact O-N 3.47Å; S913-Q966 PolarHBondContact O-OE1 2.89Å; S913-Q966 PolarHBondContact OG-OE1 3.43Å; S913-C976 PolarHBondContact OG-SG 3.05Å
914T57.7Low79.8Confident81 Ų8143.7 Ų43.750%0.49723%0.231SC..SBendtrans63.5175.9174.272.60000116.5I916T914-I916 PolarHBondContact O-N 3.48Å
915H56.1Low80Confident197 Ų19742.2 Ų42.291%0.91222%0.224SC*.SBendtrans-74.517.3-170.1-66.4-85000115.5
916I61.5Low80Confident71 Ų7143.2 Ų43.236%0.36423%0.229SC..  trans-87.6129-174.1-46.2-175.4000110.1T914 V918T914-I916 PolarHBondContact O-N 3.48Å; I916-V918 VanDerWaalsContact C-N 3.34Å; I916-V918 WeakPolarHBondContact CG2-O 3.44Å; I916-V918 PolarHBondContact O-N 3.22Å
917I62.4Low80Confident143 Ų14342 Ų4273%0.73322%0.223SC*.SBendtrans-67.9-32.4-175.2-59.7174.3000112S940I917-S940 WeakPolarHBondContact O-CA 3.4Å; I917-S940 WeakPolarHBondContact O-CB 3.27Å
918V63.3Low79.9Confident67 Ų6744.8 Ų44.841%0.40624%0.238SC..SBendtrans-127132.5176.6-176.50000108.4I916 R938I916-V918 VanDerWaalsContact C-N 3.34Å; I916-V918 WeakPolarHBondContact CG2-O 3.44Å; I916-V918 PolarHBondContact O-N 3.22Å; V918-R938 HydrophobicContact CG1-CG 3.67Å
919R72.1Confident79.8Confident19 Ų1949.1 Ų49.17%0.07227%0.268CS..EExtended strand (participates in β ladder)trans-120.9135.5-173.5-50.9178.8-158.112720110.2L911 N912 L921 R938 T939 T941L911-R919 PolarHBondContact O-NH1 3.02Å; N912-R919 PolarHBondContact OD1-NH1 3.41Å; N912-R919 PolarHBondContact OD1-NH2 3.28Å; R919-L921 HydrophobicContact CB-CG 4.3Å; R919-R938 WeakPolarHBondContact O-CA 3.44Å; R919-T939 PolarHBondContact N-O 2.84Å; R919-T939 PolarHBondContact O-N 3.42Å; R919-T941 PolarHBondContact NH1-O 3.23Å
920D81.1Confident79.7Confident10 Ų1047 Ų475%0.05326%0.263CS..EExtended strand (participates in β ladder)trans-102.2100.4174.3-59.46.3000106.7Y922 R938 Q966 W967D920-Y922 HydrophobicContact CB-CE2 3.8Å; D920-R938 IonicContact OD1-CZ 3.81Å; D920-R938 IonicContact OD1-NE 3.43Å; D920-R938 IonicContact OD1-NH1 3.14Å; D920-R938 PolarHBondContact OD1-NH1 2.88Å; D920-R938 VanDerWaalsContact OD1-NH1 3.13Å; D920-R938 IonicContact OD1-NH2 3.67Å; D920-R938 PolarHBondContact OD1-NH2 2.96Å; D920-R938 IonicContact OD2-CZ 2.8Å; D920-R938 IonicContact OD2-NH1 3.4Å; D920-R938 PolarHBondContact OD2-NH1 2.86Å; D920-R938 IonicContact OD2-NH2 3.04Å; D920-R938 PolarHBondContact OD2-NH2 2.89Å; D920-Q966 WeakPolarHBondContact O-CA 3.1Å; D920-W967 PolarHBondContact O-N 2.97Å; D920-W967 VanDerWaalsContact O-N 3.15Å
921L87.3Confident80.1Confident0 Ų050 Ų500%026%0.263CS..EExtended strand (participates in β ladder)trans-102.3122.5-177.4-64178.6000109.6L911 R919 M936 I937 T939 F944 W946 Y965 Q966L911-L921 HydrophobicContact CB-CD1 4.35Å; R919-L921 HydrophobicContact CB-CG 4.3Å; L921-M936 CarbonylContact O-C 3.59Å; L921-M936 WeakPolarHBondContact O-CA 3.46Å; L921-I937 HydrophobicContact CB-CG2 3.98Å; L921-I937 PolarHBondContact N-O 2.93Å; L921-I937 PolarHBondContact O-N 3.08Å; L921-T939 HydrophobicContact CD1-CG2 4.13Å; L921-F944 HydrophobicContact CD1-CE1 4.11Å; L921-F944 HydrophobicContact CD1-CZ 3.8Å; L921-W946 HydrophobicContact CB-CH2 4.43Å; L921-Y965 CarbonylContact C-O 3.53Å; L921-Y965 WeakPolarHBondContact CA-O 3.46Å; L921-Q966 HydrophobicContact CD2-CB 4.39Å
922Y89.2Confident80.6Confident22 Ų2251 Ų519%0.08627%0.267CS..EExtended strand (participates in β ladder)trans-108113.4-178.5-64.1-114.8000107.6D920 S935 M936 L964 Y965 W967 H973 I1497D920-Y922 HydrophobicContact CB-CE2 3.8Å; Y922-S935 CarbonylContact C-O 3.38Å; Y922-S935 WeakPolarHBondContact CA-O 3.29Å; Y922-M936 HydrophobicContact CD1-CB 4.38Å; Y922-M936 HydrophobicContact CD1-CE 4.29Å; Y922-M936 HydrophobicContact CD1-CG 3.95Å; Y922-M936 HydrophobicContact CD1-SD 4.5Å; Y922-M936 HydrophobicContact CD2-CG 4.12Å; Y922-M936 HydrophobicContact CE1-CE 3.54Å; Y922-M936 HydrophobicContact CE1-CG 3.88Å; Y922-M936 HydrophobicContact CE1-SD 3.82Å; Y922-M936 HydrophobicContact CE2-CG 3.98Å; Y922-M936 HydrophobicContact CE2-SD 4.11Å; Y922-M936 HydrophobicContact CG-CG 4.07Å; Y922-M936 VanDerWaalsContact CZ-SD 3.58Å; Y922-L964 WeakPolarHBondContact O-CA 3.34Å; Y922-Y965 PolarHBondContact N-O 3.12Å; Y922-Y965 PolarHBondContact O-N 3.1Å; Y922-W967 HydrophobicContact CD2-CB 4.01Å; Y922-W967 HydrophobicContact CE2-CB 3.27Å; Y922-W967 HydrophobicContact CE2-CG 4.22Å; Y922-H973 AromaticContact CE1-CE1 3.86Å; Y922-I1497 HydrophobicContact CD1-CD1 4.44Å; Y922-I1497 HydrophobicContact CE1-CD1 3.94Å
923C91.9Very high81.6Confident2 Ų246.6 Ų46.61%0.01424%0.244CC..EExtended strand (participates in β ladder)trans-89128.9174.7179.40000109.6R934 S935 W946 L964C923-R934 CarbonylContact O-C 3.59Å; C923-R934 VanDerWaalsContact O-CA 3.3Å; C923-R934 WeakPolarHBondContact O-CA 3.17Å; C923-S935 PolarHBondContact N-O 2.93Å; C923-S935 PolarHBondContact O-N 3.41Å; C923-W946 HydrophobicContact CB-CH2 3.44Å; C923-W946 VanDerWaalsContact CB-CH2 3.44Å; C923-W946 HydrophobicContact CB-CZ2 3.52Å; C923-W946 HydrophobicContact CB-CZ3 4.27Å; C923-L964 HydrophobicContact CB-CD2 3.56Å
924V94.5Very high83Confident15 Ų1549.9 Ų49.99%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-116.6127.4168-176.70000107.7E926 R931 R934 L963 Y965V924-E926 HydrophobicContact CG1-CG 3.95Å; V924-R931 HydrophobicContact CG1-CG 3.81Å; V924-R934 HydrophobicContact CG1-CG 4.46Å; V924-R934 HydrophobicContact CG2-CG 4.44Å; V924-L963 HydrophobicContact CB-CB 4.45Å; V924-L963 PolarHBondContact N-O 3.02Å; V924-L963 PolarHBondContact O-N 3.35Å; V924-Y965 HydrophobicContact CB-CE2 4.22Å; V924-Y965 HydrophobicContact CG2-CD2 4.02Å; V924-Y965 HydrophobicContact CG2-CE2 3.85Å
925I95.8Very high84.6Confident0 Ų046.2 Ų46.20%023%0.232CC..EExtended strand (participates in β ladder)trans-106.9124.1179.2-63.7149.8000107.9L903 K932 A933 F950 L952 L960L903-I925 HydrophobicContact CD2-CD1 3.71Å; L903-I925 HydrophobicContact CD2-CG1 3.96Å; L903-I925 HydrophobicContact CD2-CG2 3.75Å; I925-K932 PolarHBondContact O-N 3.02Å; I925-A933 HydrophobicContact CB-CB 4.17Å; I925-A933 HydrophobicContact CD1-CB 3.87Å; I925-A933 PolarHBondContact N-O 2.9Å; I925-A933 PolarHBondContact O-N 3.29Å; I925-F950 HydrophobicContact CD1-CD2 3.75Å; I925-F950 HydrophobicContact CD1-CE2 3.96Å; I925-F950 HydrophobicContact CD1-CG 4.33Å; I925-L952 HydrophobicContact CG2-CD1 3.77Å; I925-L960 HydrophobicContact CG2-CD1 3.78Å
926E94.8Very high86.1Confident22 Ų2237.9 Ų37.910%0.10319%0.194CC..EExtended strand (participates in β ladder)trans-124.9137.1-177.4-54-170.9160.400110.3V924 V930 R931 A961 L963V924-E926 HydrophobicContact CG1-CG 3.95Å; E926-V930 CarbonylContact C-O 3.56Å; E926-V930 WeakPolarHBondContact CA-O 3.41Å; E926-R931 HydrophobicContact CG-CG 3.73Å; E926-R931 WeakPolarHBondContact OE1-CG 3.03Å; E926-R931 IonicContact OE1-CZ 2.78Å; E926-R931 IonicContact OE1-NE 2.73Å; E926-R931 PolarHBondContact OE1-NE 2.98Å; E926-R931 IonicContact OE1-NH2 3.13Å; E926-R931 PolarHBondContact OE1-NH2 3.15Å; E926-A961 HydrophobicContact CB-CB 4.41Å; E926-A961 PolarHBondContact N-O 2.92Å; E926-A961 PolarHBondContact O-N 3.05Å; E926-L963 HydrophobicContact CB-CD1 4.25Å; E926-L963 HydrophobicContact CG-CD1 3.68Å
927M92Very high87.3Confident0 Ų036 Ų360%018%0.184CC..EExtended strand (participates in β ladder)trans-111.7119.6170-72.9175.815600108.3F901 S929 V930 K932 L952 M954 N957 F959 L960 L983F901-M927 HydrophobicContact CB-CE 3.89Å; F901-M927 HydrophobicContact CD1-CE 3.6Å; F901-M927 HydrophobicContact CE1-CE 4.23Å; F901-M927 HydrophobicContact CG-CE 3.82Å; M927-S929 PolarHBondContact O-N 3.22Å; M927-V930 PolarHBondContact N-O 3.38Å; M927-V930 WeakPolarHBondContact O-CA 3.5Å; M927-V930 WeakPolarHBondContact O-CB 3.27Å; M927-V930 PolarHBondContact O-N 3.06Å; M927-K932 HydrophobicContact CB-CG 4.03Å; M927-K932 HydrophobicContact CG-CG 4.08Å; M927-K932 HydrophobicContact SD-CD 4.36Å; M927-K932 HydrophobicContact SD-CG 4.02Å; M927-L952 HydrophobicContact CE-CB 3.82Å; M927-L952 HydrophobicContact CE-CD1 3.84Å; M927-L952 HydrophobicContact CE-CG 4.49Å; M927-L952 HydrophobicContact SD-CB 4.12Å; M927-L952 HydrophobicContact SD-CD1 4.49Å; M927-M954 HydrophobicContact CE-CG 3.94Å; M927-M954 HydrophobicContact SD-CG 4.22Å; M927-N957 HydrophobicContact CB-CB 4.45Å; M927-F959 CarbonylContact C-O 3.58Å; M927-F959 WeakPolarHBondContact CA-O 3.49Å; M927-L960 HydrophobicContact CE-CD1 4.31Å; M927-L960 HydrophobicContact CG-CD1 4.02Å; M927-L983 HydrophobicContact CE-CD1 4.4Å
928D91.1Very high88.4Confident57 Ų5735.5 Ų35.531%0.30517%0.173SC..THydrogen-bonded Turntrans48.340.2-173.5-56.5-62.3000113.4V930 N957 R958 F959D928-V930 VanDerWaalsContact C-N 3.25Å; D928-V930 PolarHBondContact O-N 3.47Å; D928-N957 WeakPolarHBondContact OD2-CA 3.48Å; D928-N957 WeakPolarHBondContact OD2-CB 3.46Å; D928-N957 PolarHBondContact OD2-ND2 3.32Å; D928-R958 PolarHBondContact OD1-N 3.42Å; D928-R958 PolarHBondContact OD2-N 3.05Å; D928-F959 PolarHBondContact N-O 3.41Å; D928-F959 WeakPolarHBondContact OD1-CB 3.19Å; D928-F959 PolarHBondContact OD1-N 3.11Å
929S90.2Very high89.3Confident92 Ų9232.8 Ų32.864%0.64316%0.156SC*.THydrogen-bonded Turntrans71.82-174.4-28.30000115.9M927M927-S929 PolarHBondContact O-N 3.22Å
930V89.5Confident89.7Confident47 Ų4735.1 Ų35.129%0.28518%0.176SC..EExtended strand (participates in β ladder)trans-84.7119.5168.6172.10000109.9E926 M927 D928 K932 R1127E926-V930 CarbonylContact C-O 3.56Å; E926-V930 WeakPolarHBondContact CA-O 3.41Å; M927-V930 PolarHBondContact N-O 3.38Å; M927-V930 WeakPolarHBondContact O-CA 3.5Å; M927-V930 WeakPolarHBondContact O-CB 3.27Å; M927-V930 PolarHBondContact O-N 3.06Å; D928-V930 VanDerWaalsContact C-N 3.25Å; D928-V930 PolarHBondContact O-N 3.47Å; V930-K932 PolarHBondContact O-N 3.11Å; V930-R1127 VanDerWaalsContact CG1-NH2 3.34Å
931R92.4Very high89.7Confident99 Ų9937.7 Ų37.737%0.37419%0.192SC..EExtended strand (participates in β ladder)trans-59.7124.8170.7-70.6173.5-177161.78.7110.8V924 E926 L1128V924-R931 HydrophobicContact CG1-CG 3.81Å; E926-R931 HydrophobicContact CG-CG 3.73Å; E926-R931 WeakPolarHBondContact OE1-CG 3.03Å; E926-R931 IonicContact OE1-CZ 2.78Å; E926-R931 IonicContact OE1-NE 2.73Å; E926-R931 PolarHBondContact OE1-NE 2.98Å; E926-R931 IonicContact OE1-NH2 3.13Å; E926-R931 PolarHBondContact OE1-NH2 3.15Å; R931-L1128 HydrophobicContact CB-CD2 3.99Å; R931-L1128 WeakPolarHBondContact O-CD2 3.18Å
932K93.9Very high89.4Confident21 Ų2141.1 Ų41.19%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-119.9-27.4-179.9-67.1-84.4-174.4168.70112.9I925 M927 V930 L952 D953 L1128 A1129I925-K932 PolarHBondContact O-N 3.02Å; M927-K932 HydrophobicContact CB-CG 4.03Å; M927-K932 HydrophobicContact CG-CG 4.08Å; M927-K932 HydrophobicContact SD-CD 4.36Å; M927-K932 HydrophobicContact SD-CG 4.02Å; V930-K932 PolarHBondContact O-N 3.11Å; K932-L952 HydrophobicContact CB-CD2 4.05Å; K932-D953 WeakPolarHBondContact CE-O 3.03Å; K932-D953 PolarHBondContact NZ-O 3.49Å; K932-L1128 CarbonylContact O-C 3.53Å; K932-L1128 WeakPolarHBondContact O-CA 3.27Å; K932-A1129 PolarHBondContact O-N 2.82Å
933A95Very high89.2Confident0 Ų042.5 Ų42.50%022%0.221CC..EExtended strand (participates in β ladder)trans-151.4162.8172.500000112.6I925 F950 L952 A1129I925-A933 HydrophobicContact CB-CB 4.17Å; I925-A933 HydrophobicContact CD1-CB 3.87Å; I925-A933 PolarHBondContact N-O 2.9Å; I925-A933 PolarHBondContact O-N 3.29Å; A933-F950 HydrophobicContact CB-CB 4.31Å; A933-F950 HydrophobicContact CB-CD1 3.57Å; A933-F950 HydrophobicContact CB-CE1 4.03Å; A933-F950 HydrophobicContact CB-CG 3.87Å; A933-L952 HydrophobicContact CB-CD2 3.82Å; A933-A1129 HydrophobicContact CB-CB 4.43Å
934R91.9Very high89Confident82 Ų8243 Ų4331%0.30922%0.223SC..EExtended strand (participates in β ladder)trans-142.7147.3175-58.5-174.7-164.7159.811110.7C923 V924C923-R934 CarbonylContact O-C 3.59Å; C923-R934 VanDerWaalsContact O-CA 3.3Å; C923-R934 WeakPolarHBondContact O-CA 3.17Å; V924-R934 HydrophobicContact CG1-CG 4.46Å; V924-R934 HydrophobicContact CG2-CG 4.44Å
935S90.3Very high88.7Confident4 Ų446.9 Ų46.93%0.02824%0.241CC..EExtended strand (participates in β ladder)trans-148.3163.8179.6179.60000111.4Y922 C923 W946 E948Y922-S935 CarbonylContact C-O 3.38Å; Y922-S935 WeakPolarHBondContact CA-O 3.29Å; C923-S935 PolarHBondContact N-O 2.93Å; C923-S935 PolarHBondContact O-N 3.41Å; S935-W946 WeakPolarHBondContact OG-CZ2 3.49Å; S935-W946 PolarHBondContact OG-NE1 3.21Å; S935-E948 WeakPolarHBondContact CB-OE2 3.47Å; S935-E948 PolarHBondContact OG-OE2 3.28Å
936M88.1Confident88.4Confident23 Ų2347.5 Ų47.511%0.11324%0.243CC..EExtended strand (participates in β ladder)trans-140.4136.6173.8-164.6-159.9-38.500110.8L921 Y922 I1497L921-M936 CarbonylContact O-C 3.59Å; L921-M936 WeakPolarHBondContact O-CA 3.46Å; Y922-M936 HydrophobicContact CD1-CB 4.38Å; Y922-M936 HydrophobicContact CD1-CE 4.29Å; Y922-M936 HydrophobicContact CD1-CG 3.95Å; Y922-M936 HydrophobicContact CD1-SD 4.5Å; Y922-M936 HydrophobicContact CD2-CG 4.12Å; Y922-M936 HydrophobicContact CE1-CE 3.54Å; Y922-M936 HydrophobicContact CE1-CG 3.88Å; Y922-M936 HydrophobicContact CE1-SD 3.82Å; Y922-M936 HydrophobicContact CE2-CG 3.98Å; Y922-M936 HydrophobicContact CE2-SD 4.11Å; Y922-M936 HydrophobicContact CG-CG 4.07Å; Y922-M936 VanDerWaalsContact CZ-SD 3.58Å; M936-I1497 HydrophobicContact CE-CD1 4.2Å
937I87.2Confident88.1Confident30 Ų3048.6 Ų48.615%0.15425%0.25CC..EExtended strand (participates in β ladder)trans-129.6140.1169.7-169.3157.1000111.5L921 F944 E945 W946L921-I937 HydrophobicContact CB-CG2 3.98Å; L921-I937 PolarHBondContact N-O 2.93Å; L921-I937 PolarHBondContact O-N 3.08Å; I937-F944 HydrophobicContact CD1-CD2 3.67Å; I937-F944 HydrophobicContact CD1-CE2 4.04Å; I937-F944 HydrophobicContact CG1-CD2 4.5Å; I937-F944 HydrophobicContact CG2-CD2 4.46Å; I937-F944 HydrophobicContact CG2-CE2 3.81Å; I937-F944 HydrophobicContact CG2-CZ 4.32Å; I937-E945 VanDerWaalsContact CD1-O 3.25Å; I937-E945 WeakPolarHBondContact CD1-O 3.44Å; I937-W946 HydrophobicContact CB-CD2 4.35Å; I937-W946 HydrophobicContact CB-CH2 4.33Å; I937-W946 HydrophobicContact CB-CZ2 4.1Å; I937-W946 HydrophobicContact CD1-CB 4.36Å; I937-W946 HydrophobicContact CD1-CG 4.33Å; I937-W946 HydrophobicContact CG2-CD2 4.03Å; I937-W946 HydrophobicContact CG2-CE3 3.82Å; I937-W946 HydrophobicContact CG2-CH2 3.48Å; I937-W946 VanDerWaalsContact CG2-CH2 3.48Å; I937-W946 HydrophobicContact CG2-CZ2 3.76Å; I937-W946 HydrophobicContact CG2-CZ3 3.54Å
938R84.7Confident88Confident133 Ų13349.7 Ų49.750%0.50226%0.255SS..EExtended strand (participates in β ladder)trans-106.4112175.5-170.5175.3-141.582.918.2109.1V918 R919 D920V918-R938 HydrophobicContact CG1-CG 3.67Å; R919-R938 WeakPolarHBondContact O-CA 3.44Å; D920-R938 IonicContact OD1-CZ 3.81Å; D920-R938 IonicContact OD1-NE 3.43Å; D920-R938 IonicContact OD1-NH1 3.14Å; D920-R938 PolarHBondContact OD1-NH1 2.88Å; D920-R938 VanDerWaalsContact OD1-NH1 3.13Å; D920-R938 IonicContact OD1-NH2 3.67Å; D920-R938 PolarHBondContact OD1-NH2 2.96Å; D920-R938 IonicContact OD2-CZ 2.8Å; D920-R938 IonicContact OD2-NH1 3.4Å; D920-R938 PolarHBondContact OD2-NH1 2.86Å; D920-R938 IonicContact OD2-NH2 3.04Å; D920-R938 PolarHBondContact OD2-NH2 2.89Å
939T82.9Confident88.1Confident10 Ų1048.2 Ų48.26%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-143.7143.4-170.4179.80000113.5R919 L921 T941 F944R919-T939 PolarHBondContact N-O 2.84Å; R919-T939 PolarHBondContact O-N 3.42Å; L921-T939 HydrophobicContact CD1-CG2 4.13Å; T939-T941 PolarHBondContact OG1-N 2.95Å; T939-T941 PolarHBondContact OG1-OG1 3.48Å; T939-F944 HydrophobicContact CG2-CD1 3.67Å; T939-F944 HydrophobicContact CG2-CD2 4.38Å; T939-F944 HydrophobicContact CG2-CE1 3.7Å; T939-F944 HydrophobicContact CG2-CE2 4.39Å; T939-F944 HydrophobicContact CG2-CG 4.03Å; T939-F944 HydrophobicContact CG2-CZ 4.06Å
940S79.3Confident88.2Confident68 Ų6843.9 Ų43.948%0.47622%0.217SC..  trans-103.3-18174.755.30000113.8I917I917-S940 WeakPolarHBondContact O-CA 3.4Å; I917-S940 WeakPolarHBondContact O-CB 3.27Å
941T81.3Confident88.3Confident64 Ų6442.6 Ų42.639%0.39321%0.208SC..SBendtrans-89.4163.2-166.753.80000112.8R919 T939 Y943R919-T941 PolarHBondContact NH1-O 3.23Å; T939-T941 PolarHBondContact OG1-N 2.95Å; T939-T941 PolarHBondContact OG1-OG1 3.48Å; T941-Y943 WeakPolarHBondContact CB-O 3.48Å; T941-Y943 PolarHBondContact OG1-O 2.85Å
942S80.5Confident88.3Confident73 Ų7338 Ų3851%0.5119%0.191SC..SBendtrans-83.1-15.7172.654.80000113.3K909 G910K909-S942 CarbonylContact C-O 3.55Å; K909-S942 WeakPolarHBondContact CA-O 3.48Å; G910-S942 PolarHBondContact N-O 3.32Å
943Y85.5Confident88.2Confident50 Ų5038.9 Ų38.920%0.19620%0.197CC..EExtended strand (participates in β ladder)trans-133.5131.5168.9170.4-85.7000107.9L839 F843 A907 G908 K909 T941 E945 Y1033L839-Y943 HydrophobicContact CD1-CD1 4.49Å; L839-Y943 HydrophobicContact CD1-CE1 4.1Å; L839-Y943 HydrophobicContact CD2-CE1 4.02Å; F843-Y943 HydrophobicContact CE2-CE2 4.12Å; F843-Y943 VanDerWaalsContact CE2-OH 3.22Å; F843-Y943 WeakPolarHBondContact CE2-OH 3.22Å; F843-Y943 HydrophobicContact CZ-CE2 4.5Å; F843-Y943 VanDerWaalsContact CZ-OH 3.26Å; F843-Y943 WeakPolarHBondContact CZ-OH 3.47Å; A907-Y943 HydrophobicContact CB-CE2 3.92Å; G908-Y943 WeakPolarHBondContact O-CA 3.3Å; K909-Y943 HydrophobicContact CB-CD2 4.14Å; K909-Y943 HydrophobicContact CD-CD2 4.43Å; K909-Y943 HydrophobicContact CG-CD2 4.32Å; T941-Y943 WeakPolarHBondContact CB-O 3.48Å; T941-Y943 PolarHBondContact OG1-O 2.85Å; Y943-E945 HydrophobicContact CE1-CG 4.13Å; Y943-Y1033 HydrophobicContact CE2-CE2 4.3Å
944F87.3Confident87.9Confident13 Ų1339.3 Ų39.36%0.05720%0.199CC..EExtended strand (participates in β ladder)trans-146.3148.217857.3-92.3000110.7A907 G908 L911 L921 I937 T939 W946A907-F944 CarbonylContact C-O 3.44Å; A907-F944 VanDerWaalsContact CA-O 3.22Å; A907-F944 WeakPolarHBondContact CA-O 3.49Å; A907-F944 VanDerWaalsContact CB-O 3.31Å; A907-F944 WeakPolarHBondContact CB-O 3.38Å; G908-F944 PolarHBondContact N-O 3.09Å; G908-F944 PolarHBondContact O-N 2.94Å; L911-F944 HydrophobicContact CB-CE1 4.33Å; L911-F944 HydrophobicContact CD1-CE1 4.01Å; L911-F944 HydrophobicContact CD1-CZ 3.69Å; L921-F944 HydrophobicContact CD1-CE1 4.11Å; L921-F944 HydrophobicContact CD1-CZ 3.8Å; I937-F944 HydrophobicContact CD1-CD2 3.67Å; I937-F944 HydrophobicContact CD1-CE2 4.04Å; I937-F944 HydrophobicContact CG1-CD2 4.5Å; I937-F944 HydrophobicContact CG2-CD2 4.46Å; I937-F944 HydrophobicContact CG2-CE2 3.81Å; I937-F944 HydrophobicContact CG2-CZ 4.32Å; T939-F944 HydrophobicContact CG2-CD1 3.67Å; T939-F944 HydrophobicContact CG2-CD2 4.38Å; T939-F944 HydrophobicContact CG2-CE1 3.7Å; T939-F944 HydrophobicContact CG2-CE2 4.39Å; T939-F944 HydrophobicContact CG2-CG 4.03Å; T939-F944 HydrophobicContact CG2-CZ 4.06Å; F944-W946 HydrophobicContact CE2-CD2 4.5Å; F944-W946 AromaticContact CE2-CE3 3.7Å; F944-W946 HydrophobicContact CE2-CE3 3.7Å; F944-W946 HydrophobicContact CE2-CZ3 4.16Å; F944-W946 HydrophobicContact CZ-CE3 4.36Å; F944-W946 HydrophobicContact CZ-CZ3 4.44Å
945E88.4Confident87.6Confident97 Ų9737.5 Ų37.545%0.45319%0.194SC..EExtended strand (participates in β ladder)trans-84.5136.5171.3-67.9169.517900108.3R842 A907 I937 Y943R842-E945 IonicContact NH1-OE1 3.46Å; R842-E945 PolarHBondContact NH1-OE1 3.08Å; A907-E945 HydrophobicContact CB-CG 4.44Å; I937-E945 VanDerWaalsContact CD1-O 3.25Å; I937-E945 WeakPolarHBondContact CD1-O 3.44Å; Y943-E945 HydrophobicContact CE1-CG 4.13Å
946W89.6Confident87.3Confident13 Ų1338.1 Ų38.15%0.04920%0.197CC..EExtended strand (participates in β ladder)trans-104.6-45.7178.7-163.8-47.3000109.7V905 I906 L921 C923 S935 I937 F944 E948 L964 L1032V905-W946 HydrophobicContact CB-CG 4.37Å; V905-W946 HydrophobicContact CG1-CB 4.03Å; V905-W946 HydrophobicContact CG1-CD2 3.91Å; V905-W946 HydrophobicContact CG1-CE3 4.15Å; V905-W946 HydrophobicContact CG1-CG 3.79Å; I906-W946 PolarHBondContact O-N 3.23Å; L921-W946 HydrophobicContact CB-CH2 4.43Å; C923-W946 HydrophobicContact CB-CH2 3.44Å; C923-W946 VanDerWaalsContact CB-CH2 3.44Å; C923-W946 HydrophobicContact CB-CZ2 3.52Å; C923-W946 HydrophobicContact CB-CZ3 4.27Å; S935-W946 WeakPolarHBondContact OG-CZ2 3.49Å; S935-W946 PolarHBondContact OG-NE1 3.21Å; I937-W946 HydrophobicContact CB-CD2 4.35Å; I937-W946 HydrophobicContact CB-CH2 4.33Å; I937-W946 HydrophobicContact CB-CZ2 4.1Å; I937-W946 HydrophobicContact CD1-CB 4.36Å; I937-W946 HydrophobicContact CD1-CG 4.33Å; I937-W946 HydrophobicContact CG2-CD2 4.03Å; I937-W946 HydrophobicContact CG2-CE3 3.82Å; I937-W946 HydrophobicContact CG2-CH2 3.48Å; I937-W946 VanDerWaalsContact CG2-CH2 3.48Å; I937-W946 HydrophobicContact CG2-CZ2 3.76Å; I937-W946 HydrophobicContact CG2-CZ3 3.54Å; F944-W946 HydrophobicContact CE2-CD2 4.5Å; F944-W946 AromaticContact CE2-CE3 3.7Å; F944-W946 HydrophobicContact CE2-CE3 3.7Å; F944-W946 HydrophobicContact CE2-CZ3 4.16Å; F944-W946 HydrophobicContact CZ-CE3 4.36Å; F944-W946 HydrophobicContact CZ-CZ3 4.44Å; W946-E948 PolarHBondContact O-N 3.03Å; W946-L964 HydrophobicContact CH2-CD2 4.2Å; W946-L964 HydrophobicContact CZ3-CD2 4.1Å; W946-L1032 HydrophobicContact CE3-CD1 4.47Å
947N89.6Confident87.3Confident45 Ų4537.8 Ų37.824%0.24120%0.195CC..EExtended strand (participates in β ladder)trans48.443.3173.7-160.724.4000116.4E753 H904 V905 I906 W1133E753-N947 PolarHBondContact OE2-ND2 3.24Å; H904-N947 PolarHBondContact NE2-OD1 3.25Å; V905-N947 WeakPolarHBondContact O-CA 3.29Å; V905-N947 PolarHBondContact O-N 2.95Å; I906-N947 PolarHBondContact O-N 2.96Å; N947-W1133 PolarHBondContact O-NE1 3.17Å
948E90.2Very high87.4Confident23 Ų2343.6 Ų43.611%0.10722%0.215CC..EExtended strand (participates in β ladder)trans-112.9133.8173.6-73.8-171171.800112.1V905 S935 W946 F950V905-E948 PolarHBondContact N-O 2.85Å; V905-E948 PolarHBondContact O-N 3.17Å; V905-E948 VanDerWaalsContact O-N 3.12Å; S935-E948 WeakPolarHBondContact CB-OE2 3.47Å; S935-E948 PolarHBondContact OG-OE2 3.28Å; W946-E948 PolarHBondContact O-N 3.03Å; E948-F950 HydrophobicContact CB-CE2 3.86Å; E948-F950 HydrophobicContact CB-CZ 4.03Å; E948-F950 WeakPolarHBondContact OE2-CZ 3.06Å
949V91.6Very high87.8Confident25 Ų2538.1 Ų38.115%0.15220%0.195CC..EExtended strand (participates in β ladder)trans-110.2135.1179.2-173.80000109.3I902 L903 H904 V1132I902-V949 HydrophobicContact CG2-CG1 3.68Å; L903-V949 WeakPolarHBondContact O-CA 3.14Å; H904-V949 HydrophobicContact CB-CG2 4Å; H904-V949 VanDerWaalsContact CD2-CG2 3.46Å; H904-V949 WeakPolarHBondContact CD2-CG2 3.3Å; V949-V1132 HydrophobicContact CB-CB 4.08Å; V949-V1132 HydrophobicContact CB-CG2 4.32Å; V949-V1132 HydrophobicContact CG1-CB 4.3Å; V949-V1132 HydrophobicContact CG1-CG2 4.13Å; V949-V1132 WeakPolarHBondContact O-CB 3.38Å; V949-V1132 VanDerWaalsContact O-CG2 3.27Å; V949-V1132 WeakPolarHBondContact O-CG2 3.24Å; V949-V1132 PolarHBondContact O-N 2.75Å
950F93.2Very high88.4Confident2 Ų237.7 Ų37.71%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-124.2138176.2-59.6-81000111.1I902 L903 V905 I925 A933 E948 L952I902-F950 WeakPolarHBondContact CA-O 3.15Å; L903-F950 PolarHBondContact N-O 3.31Å; L903-F950 PolarHBondContact O-N 2.98Å; V905-F950 HydrophobicContact CG2-CE2 4.5Å; I925-F950 HydrophobicContact CD1-CD2 3.75Å; I925-F950 HydrophobicContact CD1-CE2 3.96Å; I925-F950 HydrophobicContact CD1-CG 4.33Å; A933-F950 HydrophobicContact CB-CB 4.31Å; A933-F950 HydrophobicContact CB-CD1 3.57Å; A933-F950 HydrophobicContact CB-CE1 4.03Å; A933-F950 HydrophobicContact CB-CG 3.87Å; E948-F950 HydrophobicContact CB-CE2 3.86Å; E948-F950 HydrophobicContact CB-CZ 4.03Å; E948-F950 WeakPolarHBondContact OE2-CZ 3.06Å; F950-L952 HydrophobicContact CB-CD2 3.73Å; F950-L952 HydrophobicContact CB-CG 4.25Å
951E91.4Very high89.2Confident20 Ų2034.8 Ų34.89%0.09317%0.173CC..EExtended strand (participates in β ladder)trans-100.8113.8168.7-75.2171.1-135.500108.7L900 I902 A1129 V1132 K1135L900-E951 HydrophobicContact CD1-CB 4.16Å; L900-E951 HydrophobicContact CD2-CB 4.22Å; L900-E951 HydrophobicContact CD2-CG 4.11Å; L900-E951 HydrophobicContact CG-CB 4.36Å; I902-E951 HydrophobicContact CG1-CG 4.44Å; E951-A1129 WeakPolarHBondContact O-CB 3.43Å; E951-V1132 HydrophobicContact CB-CG2 4.41Å; E951-V1132 HydrophobicContact CG-CG2 3.83Å; E951-K1135 IonicContact OE1-NZ 2.7Å; E951-K1135 PolarHBondContact OE1-NZ 2.79Å; E951-K1135 IonicContact OE2-NZ 2.74Å; E951-K1135 PolarHBondContact OE2-NZ 2.89Å
952L93.1Very high89.9Confident2 Ų231.9 Ų31.91%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-112.9118-172.3-49.6-179.1000109.8F901 L903 I925 M927 K932 A933 F950 M954 A1129F901-L952 HydrophobicContact CB-CB 4.49Å; F901-L952 HydrophobicContact CD1-CD1 4.22Å; F901-L952 PolarHBondContact N-O 3.01Å; F901-L952 PolarHBondContact O-N 3.24Å; L903-L952 HydrophobicContact CB-CD1 4.19Å; L903-L952 HydrophobicContact CD2-CD1 4.04Å; I925-L952 HydrophobicContact CG2-CD1 3.77Å; M927-L952 HydrophobicContact CE-CB 3.82Å; M927-L952 HydrophobicContact CE-CD1 3.84Å; M927-L952 HydrophobicContact CE-CG 4.49Å; M927-L952 HydrophobicContact SD-CB 4.12Å; M927-L952 HydrophobicContact SD-CD1 4.49Å; K932-L952 HydrophobicContact CB-CD2 4.05Å; A933-L952 HydrophobicContact CB-CD2 3.82Å; F950-L952 HydrophobicContact CB-CD2 3.73Å; F950-L952 HydrophobicContact CB-CG 4.25Å; L952-M954 PolarHBondContact O-N 2.93Å; L952-A1129 HydrophobicContact CD2-CB 3.88Å
953D90.4Very high90.5Very high40 Ų4029.1 Ų29.121%0.21413%0.134CC..EExtended strand (participates in β ladder)trans-64.9125.8174.7-56.8-54.5000109.9K932 K1186K932-D953 WeakPolarHBondContact CE-O 3.03Å; K932-D953 PolarHBondContact NZ-O 3.49Å; D953-K1186 IonicContact OD2-NZ 3.54Å; D953-K1186 PolarHBondContact OD2-NZ 3.35Å
954M88.3Confident90.9Very high9 Ų926.8 Ų26.84%0.04413%0.125CC..EExtended strand (participates in β ladder)trans-102.5129.2175.6-69.6-169.574.900111.7L897 G899 F901 M927 L952 N957 L983L897-M954 HydrophobicContact CB-CE 3.46Å; L897-M954 VanDerWaalsContact CB-CE 3.46Å; L897-M954 HydrophobicContact CB-SD 4.45Å; L897-M954 HydrophobicContact CD1-CE 4.02Å; L897-M954 HydrophobicContact CG-CE 4.4Å; G899-M954 PolarHBondContact N-O 3.22Å; G899-M954 PolarHBondContact O-N 3.35Å; F901-M954 HydrophobicContact CB-CG 3.69Å; F901-M954 HydrophobicContact CB-SD 3.66Å; F901-M954 HydrophobicContact CD2-SD 3.91Å; F901-M954 HydrophobicContact CG-SD 4.11Å; M927-M954 HydrophobicContact CE-CG 3.94Å; M927-M954 HydrophobicContact SD-CG 4.22Å; L952-M954 PolarHBondContact O-N 2.93Å; M954-N957 WeakPolarHBondContact CA-OD1 3.41Å; M954-N957 HydrophobicContact CE-CB 3.69Å; M954-L983 HydrophobicContact CE-CD1 3.59Å
955E86.4Confident91.1Very high44 Ų4428.4 Ų28.421%0.20613%0.131CC..SBendtrans-128.4105.9168-171.8178.3-172.200109.9N898 N957 T1265 P1289 R1290N898-E955 VanDerWaalsContact OD1-CA 3.27Å; N898-E955 WeakPolarHBondContact OD1-CA 3.36Å; E955-N957 PolarHBondContact N-OD1 3.16Å; E955-N957 VanDerWaalsContact O-CG 3.31Å; E955-N957 PolarHBondContact O-N 3.18Å; E955-N957 PolarHBondContact O-OD1 3.21Å; E955-T1265 WeakPolarHBondContact OE2-CG2 3.32Å; E955-P1289 HydrophobicContact CG-CB 4.12Å; E955-R1290 VanDerWaalsContact OE1-CG 3.25Å; E955-R1290 WeakPolarHBondContact OE1-CG 3.38Å; E955-R1290 PolarHBondContact OE1-N 3.41Å
956D84.3Confident90.9Very high17 Ų1724.3 Ų24.39%0.09111%0.112CC..SBendtrans47.820.6-175.2-55.6-37.5000115.4N896 L897 N898 R958 R1290N896-D956 HydrophobicContact CB-CB 4.49Å; N896-D956 VanDerWaalsContact CB-OD1 3.26Å; N896-D956 WeakPolarHBondContact CB-OD1 3.48Å; N896-D956 PolarHBondContact ND2-OD1 3.25Å; L897-D956 PolarHBondContact O-N 3.23Å; N898-D956 PolarHBondContact ND2-OD1 3.16Å; N898-D956 PolarHBondContact OD1-N 2.85Å; N898-D956 PolarHBondContact OD1-OD1 3.14Å; D956-R958 WeakPolarHBondContact O-CG 3.27Å; D956-R1290 IonicContact OD2-CZ 2.68Å; D956-R1290 IonicContact OD2-NE 2.76Å; D956-R1290 PolarHBondContact OD2-NE 2.84Å; D956-R1290 IonicContact OD2-NH2 2.74Å; D956-R1290 PolarHBondContact OD2-NH2 3.36Å
957N88.6Confident90.2Very high15 Ų1528 Ų288%0.0813%0.126CC..  trans-70.4142.3-163.5-76122.4000112.6L897 M927 D928 M954 E955L897-N957 PolarHBondContact O-N 3.41Å; M927-N957 HydrophobicContact CB-CB 4.45Å; D928-N957 WeakPolarHBondContact OD2-CA 3.48Å; D928-N957 WeakPolarHBondContact OD2-CB 3.46Å; D928-N957 PolarHBondContact OD2-ND2 3.32Å; M954-N957 WeakPolarHBondContact CA-OD1 3.41Å; M954-N957 HydrophobicContact CE-CB 3.69Å; E955-N957 PolarHBondContact N-OD1 3.16Å; E955-N957 VanDerWaalsContact O-CG 3.31Å; E955-N957 PolarHBondContact O-N 3.18Å; E955-N957 PolarHBondContact O-OD1 3.21Å
958R89.6Confident89.3Confident152 Ų15227.7 Ų27.757%0.57412%0.124SC*.  trans-120.6-34.7-171.4-56.9-172.9-175.4-170.91.5113.7D928 D956 L983D928-R958 PolarHBondContact OD1-N 3.42Å; D928-R958 PolarHBondContact OD2-N 3.05Å; D956-R958 WeakPolarHBondContact O-CG 3.27Å; R958-L983 WeakPolarHBondContact O-CB 3.25Å; R958-L983 PolarHBondContact O-N 2.9Å
959F92.5Very high88.3Confident19 Ų1931 Ų318%0.08315%0.148CC..EExtended strand (participates in β ladder)trans-127.7127.2-174.1-164.2-92.2000111.8E852 C854 M927 D928 A961 Y978 I981E852-F959 HydrophobicContact CB-CE2 4.12Å; E852-F959 HydrophobicContact CB-CZ 4.47Å; C854-F959 HydrophobicContact CB-CD1 3.98Å; C854-F959 HydrophobicContact CB-CD2 4.47Å; C854-F959 HydrophobicContact CB-CE1 3.91Å; C854-F959 HydrophobicContact CB-CE2 4.4Å; C854-F959 HydrophobicContact CB-CG 4.26Å; C854-F959 HydrophobicContact CB-CZ 4.11Å; C854-F959 VanDerWaalsContact N-CZ 3.33Å; M927-F959 CarbonylContact C-O 3.58Å; M927-F959 WeakPolarHBondContact CA-O 3.49Å; D928-F959 PolarHBondContact N-O 3.41Å; D928-F959 WeakPolarHBondContact OD1-CB 3.19Å; D928-F959 PolarHBondContact OD1-N 3.11Å; F959-A961 HydrophobicContact CD1-CB 4.33Å; F959-A961 HydrophobicContact CE1-CB 4.12Å; F959-Y978 WeakPolarHBondContact CE1-OH 3.2Å; F959-I981 WeakPolarHBondContact CA-O 3.23Å
960L94.9Very high87.4Confident1 Ų139.8 Ų39.81%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-100.1130.4171.4177.967.4000109.3F901 I925 M927 G980 I981 L983F901-L960 HydrophobicContact CE1-CD2 3.81Å; F901-L960 HydrophobicContact CZ-CD2 3.94Å; I925-L960 HydrophobicContact CG2-CD1 3.78Å; M927-L960 HydrophobicContact CE-CD1 4.31Å; M927-L960 HydrophobicContact CG-CD1 4.02Å; L960-G980 CarbonylContact O-C 3.2Å; L960-G980 WeakPolarHBondContact O-CA 3.41Å; L960-I981 HydrophobicContact CB-CB 4.46Å; L960-I981 PolarHBondContact N-O 3.14Å; L960-I981 PolarHBondContact O-N 3.16Å; L960-L983 HydrophobicContact CB-CD1 4.16Å; L960-L983 HydrophobicContact CB-CD2 3.82Å; L960-L983 HydrophobicContact CB-CG 4.02Å; L960-L983 HydrophobicContact CD2-CD2 4.34Å
961A95.7Very high86Confident7 Ų743.9 Ų43.96%0.05820%0.203CC..EExtended strand (participates in β ladder)trans-123.4139.7175.400000111.2E926 F959 L963 Y978 G979E926-A961 HydrophobicContact CB-CB 4.41Å; E926-A961 PolarHBondContact N-O 2.92Å; E926-A961 PolarHBondContact O-N 3.05Å; F959-A961 HydrophobicContact CD1-CB 4.33Å; F959-A961 HydrophobicContact CE1-CB 4.12Å; A961-L963 HydrophobicContact CB-CD1 4.2Å; A961-Y978 HydrophobicContact CB-CE2 4.15Å; A961-G979 CarbonylContact C-O 3.54Å; A961-G979 WeakPolarHBondContact CA-O 3.45Å
962V95.8Very high85.2Confident2 Ų250 Ų501%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-122.1116.6176.3-175.50000108.3L964 Y978 G979 L1032V962-L964 HydrophobicContact CG1-CD2 4.21Å; V962-Y978 WeakPolarHBondContact O-CA 3.33Å; V962-G979 PolarHBondContact N-O 3.21Å; V962-G979 PolarHBondContact O-N 3.42Å; V962-L1032 HydrophobicContact CG1-CD2 3.76Å
963L94.5Very high84.4Confident16 Ų1653.1 Ų53.18%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-114116.7-176.8-59.199000109.5V924 E926 A961 Y965 L975 Y978V924-L963 HydrophobicContact CB-CB 4.45Å; V924-L963 PolarHBondContact N-O 3.02Å; V924-L963 PolarHBondContact O-N 3.35Å; E926-L963 HydrophobicContact CB-CD1 4.25Å; E926-L963 HydrophobicContact CG-CD1 3.68Å; A961-L963 HydrophobicContact CB-CD1 4.2Å; L963-Y965 HydrophobicContact CB-CD2 4.35Å; L963-Y965 HydrophobicContact CB-CE2 3.66Å; L963-L975 HydrophobicContact CB-CD1 3.83Å; L963-L975 HydrophobicContact CD2-CD1 4.21Å; L963-L975 HydrophobicContact CD2-CD2 4.36Å; L963-L975 HydrophobicContact CG-CD1 4.49Å; L963-Y978 HydrophobicContact CD2-CD2 4.37Å; L963-Y978 HydrophobicContact CG-CD2 4.2Å
964L93.2Very high84.1Confident0 Ų058.1 Ų58.10%026%0.26CS..EExtended strand (participates in β ladder)trans-102.4108.4177.8-56.7-172.9000110.2L911 Y922 C923 W946 V962 C976 F977 L1026L911-L964 HydrophobicContact CD1-CD1 3.74Å; L911-L964 HydrophobicContact CD2-CD1 4.15Å; Y922-L964 WeakPolarHBondContact O-CA 3.34Å; C923-L964 HydrophobicContact CB-CD2 3.56Å; W946-L964 HydrophobicContact CH2-CD2 4.2Å; W946-L964 HydrophobicContact CZ3-CD2 4.1Å; V962-L964 HydrophobicContact CG1-CD2 4.21Å; L964-C976 PolarHBondContact O-N 3.5Å; L964-F977 HydrophobicContact CB-CB 4.05Å; L964-F977 HydrophobicContact CB-CD2 3.99Å; L964-F977 HydrophobicContact CD1-CB 4.23Å; L964-F977 HydrophobicContact CD1-CD2 4.16Å; L964-F977 HydrophobicContact CG-CB 4.39Å; L964-F977 PolarHBondContact N-O 2.9Å; L964-F977 PolarHBondContact O-N 2.86Å; L964-F977 VanDerWaalsContact O-N 3.14Å; L964-L1026 HydrophobicContact CD1-CD1 3.59Å; L964-L1026 HydrophobicContact CG-CD1 4.26Å
965Y90.7Very high84.1Confident48 Ų4861.5 Ų61.519%0.18828%0.278CS..EExtended strand (participates in β ladder)trans-93.8140.1174-60.3-99.6000110.5L921 Y922 V924 L963 H973 R974 L975L921-Y965 CarbonylContact C-O 3.53Å; L921-Y965 WeakPolarHBondContact CA-O 3.46Å; Y922-Y965 PolarHBondContact N-O 3.12Å; Y922-Y965 PolarHBondContact O-N 3.1Å; V924-Y965 HydrophobicContact CB-CE2 4.22Å; V924-Y965 HydrophobicContact CG2-CD2 4.02Å; V924-Y965 HydrophobicContact CG2-CE2 3.85Å; L963-Y965 HydrophobicContact CB-CD2 4.35Å; L963-Y965 HydrophobicContact CB-CE2 3.66Å; Y965-H973 HydrophobicContact CD1-CB 4.28Å; Y965-R974 CarbonylContact C-O 3.47Å; Y965-R974 WeakPolarHBondContact CA-O 3.49Å; Y965-L975 HydrophobicContact CD1-CB 3.97Å; Y965-L975 HydrophobicContact CD1-CD1 4.3Å; Y965-L975 HydrophobicContact CD2-CD1 4.34Å; Y965-L975 HydrophobicContact CE1-CB 3.84Å; Y965-L975 HydrophobicContact CE1-CD1 4.1Å; Y965-L975 HydrophobicContact CE2-CD1 4.16Å; Y965-L975 HydrophobicContact CG-CD1 4.41Å
966Q85.3Confident84.1Confident11 Ų1160.1 Ų60.15%0.05127%0.273CS..EExtended strand (participates in β ladder)trans-93.5135.6162.4-175.3176.71.900109.1S913 D920 L921 H973 R974 C976S913-Q966 PolarHBondContact O-OE1 2.89Å; S913-Q966 PolarHBondContact OG-OE1 3.43Å; D920-Q966 WeakPolarHBondContact O-CA 3.1Å; L921-Q966 HydrophobicContact CD2-CB 4.39Å; Q966-H973 WeakPolarHBondContact O-CA 3.29Å; Q966-R974 PolarHBondContact N-O 3.32Å; Q966-R974 PolarHBondContact O-N 2.96Å; Q966-C976 VanDerWaalsContact CB-SG 3.57Å
967W75.4Confident84.5Confident91 Ų9159.8 Ų59.835%0.34527%0.27SS..EExtended strand (participates in β ladder)trans-91.9133.3165.4-175.178000110.7D920 Y922 P969 H973D920-W967 PolarHBondContact O-N 2.97Å; D920-W967 VanDerWaalsContact O-N 3.15Å; Y922-W967 HydrophobicContact CD2-CB 4.01Å; Y922-W967 HydrophobicContact CE2-CB 3.27Å; Y922-W967 HydrophobicContact CE2-CG 4.22Å; W967-P969 HydrophobicContact CE3-CG 4.38Å; W967-P969 HydrophobicContact CH2-CG 3.69Å; W967-P969 HydrophobicContact CZ2-CG 4.13Å; W967-P969 HydrophobicContact CZ3-CG 3.82Å; W967-H973 AromaticContact CD1-CE1 3.43Å; W967-H973 VanDerWaalsContact CD1-CE1 3.43Å; W967-H973 AromaticContact CD1-ND1 3.77Å; W967-H973 AromaticContact CD1-NE2 3.56Å
968D70.2Confident84.8Confident38 Ų3861.3 Ų61.320%0.20328%0.275CS..EExtended strand (participates in β ladder)trans-134.6126.8165.6172.5-9.2000107R970 T971 K972D968-R970 PolarHBondContact O-N 3.34Å; D968-R970 WeakPolarHBondContact OD1-CB 3.27Å; D968-R970 PolarHBondContact OD1-N 3.43Å; D968-T971 PolarHBondContact O-N 3.47Å; D968-T971 VanDerWaalsContact O-N 3.12Å; D968-K972 WeakPolarHBondContact O-CA 3.33Å; D968-K972 PolarHBondContact O-N 2.97Å
969P69.9Low85.1Confident93 Ų9354 Ų5460%0.60425%0.248SC*.THydrogen-bonded Turntrans-48.1-27.9174.8-28.233.3000114.9W967W967-P969 HydrophobicContact CE3-CG 4.38Å; W967-P969 HydrophobicContact CH2-CG 3.69Å; W967-P969 HydrophobicContact CZ2-CG 4.13Å; W967-P969 HydrophobicContact CZ3-CG 3.82Å
970R70.8Confident85.2Confident209 Ų20953.2 Ų53.279%0.78925%0.245SC*.THydrogen-bonded Turntrans-85-37.1-178.6-61174.7171.4-178.8-3.4113.7D968D968-R970 PolarHBondContact O-N 3.34Å; D968-R970 WeakPolarHBondContact OD1-CB 3.27Å; D968-R970 PolarHBondContact OD1-N 3.43Å
971T65.6Low85.1Confident87 Ų8753.4 Ų53.453%0.53425%0.246SC..THydrogen-bonded Turntrans-106.6-6.5-174.171.40000114.2D968D968-T971 PolarHBondContact O-N 3.47Å; D968-T971 VanDerWaalsContact O-N 3.12Å
972K73Confident85Confident149 Ų14955 Ų5565%0.64825%0.254SS*.EExtended strand (participates in β ladder)trans61.8-164.2-165.8-52.8-174.6178.6-175.30110.8D968 R974D968-K972 WeakPolarHBondContact O-CA 3.33Å; D968-K972 PolarHBondContact O-N 2.97Å; K972-R974 PolarHBondContact O-N 3.01Å
973H77.2Confident84.7Confident68 Ų6855 Ų5532%0.31525%0.253SS..EExtended strand (participates in β ladder)trans-68.1118179.2-62.5-84000110.8Y922 Y965 Q966 W967Y922-H973 AromaticContact CE1-CE1 3.86Å; Y965-H973 HydrophobicContact CD1-CB 4.28Å; Q966-H973 WeakPolarHBondContact O-CA 3.29Å; W967-H973 AromaticContact CD1-CE1 3.43Å; W967-H973 VanDerWaalsContact CD1-CE1 3.43Å; W967-H973 AromaticContact CD1-ND1 3.77Å; W967-H973 AromaticContact CD1-NE2 3.56Å
974R83.5Confident84.1Confident144 Ų14459.1 Ų59.154%0.54327%0.27SS..EExtended strand (participates in β ladder)trans-106.2125.6174.2177.2-178.7177.6172.41.9109.2Y965 Q966 K972 C976Y965-R974 CarbonylContact C-O 3.47Å; Y965-R974 WeakPolarHBondContact CA-O 3.49Å; Q966-R974 PolarHBondContact N-O 3.32Å; Q966-R974 PolarHBondContact O-N 2.96Å; K972-R974 PolarHBondContact O-N 3.01Å; R974-C976 PolarHBondContact O-N 3.31Å
975L88.1Confident83.6Confident80 Ų8063.1 Ų63.142%0.41929%0.292SS..EExtended strand (participates in β ladder)trans-64.9121.2168.1-176.463.8000108.7L963 Y965 F977L963-L975 HydrophobicContact CB-CD1 3.83Å; L963-L975 HydrophobicContact CD2-CD1 4.21Å; L963-L975 HydrophobicContact CD2-CD2 4.36Å; L963-L975 HydrophobicContact CG-CD1 4.49Å; Y965-L975 HydrophobicContact CD1-CB 3.97Å; Y965-L975 HydrophobicContact CD1-CD1 4.3Å; Y965-L975 HydrophobicContact CD2-CD1 4.34Å; Y965-L975 HydrophobicContact CE1-CB 3.84Å; Y965-L975 HydrophobicContact CE1-CD1 4.1Å; Y965-L975 HydrophobicContact CE2-CD1 4.16Å; Y965-L975 HydrophobicContact CG-CD1 4.41Å; L975-F977 WeakPolarHBondContact CD1-O 3.48Å
976C87.7Confident83.3Confident15 Ų1561.6 Ų61.610%0.10129%0.287CS..EExtended strand (participates in β ladder)trans-112.2-34.2-176.7-73.90000112.7S913 L964 Q966 R974 P1028S913-C976 PolarHBondContact OG-SG 3.05Å; L964-C976 PolarHBondContact O-N 3.5Å; Q966-C976 VanDerWaalsContact CB-SG 3.57Å; R974-C976 PolarHBondContact O-N 3.31Å; C976-P1028 WeakPolarHBondContact O-CD 3.5Å
977F92.4Very high82.9Confident10 Ų1062.2 Ų62.24%0.04429%0.29CS..EExtended strand (participates in β ladder)trans-140.1149.4177.4-43.5-83.3000111.9L911 L964 L975 L1026 E1027 R1029L911-F977 VanDerWaalsContact C-CZ 3.44Å; L911-F977 HydrophobicContact CB-CD2 4.37Å; L911-F977 HydrophobicContact CB-CE2 3.87Å; L911-F977 HydrophobicContact CB-CZ 4.06Å; L911-F977 HydrophobicContact CD2-CB 4.48Å; L911-F977 HydrophobicContact CD2-CD1 4.02Å; L911-F977 HydrophobicContact CD2-CD2 3.95Å; L911-F977 HydrophobicContact CD2-CE1 4.27Å; L911-F977 HydrophobicContact CD2-CE2 4.2Å; L911-F977 HydrophobicContact CD2-CG 3.87Å; L911-F977 HydrophobicContact CD2-CZ 4.36Å; L964-F977 HydrophobicContact CB-CB 4.05Å; L964-F977 HydrophobicContact CB-CD2 3.99Å; L964-F977 HydrophobicContact CD1-CB 4.23Å; L964-F977 HydrophobicContact CD1-CD2 4.16Å; L964-F977 HydrophobicContact CG-CB 4.39Å; L964-F977 PolarHBondContact N-O 2.9Å; L964-F977 PolarHBondContact O-N 2.86Å; L964-F977 VanDerWaalsContact O-N 3.14Å; L975-F977 WeakPolarHBondContact CD1-O 3.48Å; F977-L1026 HydrophobicContact CB-CB 4.15Å; F977-L1026 HydrophobicContact CB-CD1 3.76Å; F977-E1027 CarbonylContact C-O 3.54Å; F977-E1027 WeakPolarHBondContact CA-O 3.46Å; F977-R1029 WeakPolarHBondContact CD1-O 3.33Å; F977-R1029 WeakPolarHBondContact CE1-O 2.86Å
978Y94.8Very high82.7Confident47 Ų4759.4 Ų59.418%0.18429%0.29CS..EExtended strand (participates in β ladder)trans-134.5139.3177.6173.2-94.1000110.2E852 R853 F959 A961 V962 L963 L1026 E1027E852-Y978 WeakPolarHBondContact O-CE1 3.45Å; R853-Y978 HydrophobicContact CG-CE1 4.23Å; F959-Y978 WeakPolarHBondContact CE1-OH 3.2Å; A961-Y978 HydrophobicContact CB-CE2 4.15Å; V962-Y978 WeakPolarHBondContact O-CA 3.33Å; L963-Y978 HydrophobicContact CD2-CD2 4.37Å; L963-Y978 HydrophobicContact CG-CD2 4.2Å; Y978-L1026 CarbonylContact O-C 3.5Å; Y978-L1026 VanDerWaalsContact O-CA 3.3Å; Y978-L1026 WeakPolarHBondContact O-CA 3.21Å; Y978-L1026 WeakPolarHBondContact O-CB 3.43Å; Y978-E1027 PolarHBondContact N-O 3.43Å; Y978-E1027 PolarHBondContact O-N 3.04Å
979G95Very high82.4Confident0 Ų063.8 Ų63.80%031%0.307CS..EExtended strand (participates in β ladder)trans-135.9138.1169.800000110.5S851 A961 V962S851-G979 WeakPolarHBondContact OG-CA 3.36Å; A961-G979 CarbonylContact C-O 3.54Å; A961-G979 WeakPolarHBondContact CA-O 3.45Å; V962-G979 PolarHBondContact N-O 3.21Å; V962-G979 PolarHBondContact O-N 3.42Å
980G95Very high81.8Confident1 Ų160.3 Ų60.31%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-133.8147.6178.300000112.9S851 E852 L960S851-G980 PolarHBondContact OG-N 3.34Å; E852-G980 PolarHBondContact N-O 3.48Å; E852-G980 WeakPolarHBondContact O-CA 3.38Å; L960-G980 CarbonylContact O-C 3.2Å; L960-G980 WeakPolarHBondContact O-CA 3.41Å
981I94.1Very high81Confident5 Ų554.7 Ų54.73%0.02627%0.273CS..EExtended strand (participates in β ladder)trans-143.2124.1-177.1-56.9178.9000109.9F959 L960 L983 L986 L1024 L1034F959-I981 WeakPolarHBondContact CA-O 3.23Å; L960-I981 HydrophobicContact CB-CB 4.46Å; L960-I981 PolarHBondContact N-O 3.14Å; L960-I981 PolarHBondContact O-N 3.16Å; I981-L983 PolarHBondContact O-N 2.74Å; I981-L986 HydrophobicContact CG2-CB 4.32Å; I981-L986 HydrophobicContact CG2-CD2 4.01Å; I981-L1024 HydrophobicContact CD1-CD1 4Å; I981-L1024 HydrophobicContact CD1-CD2 4.08Å; I981-L1024 HydrophobicContact CG1-CD1 3.73Å; I981-L1024 HydrophobicContact CG1-CD2 4.24Å; I981-L1034 HydrophobicContact CD1-CD1 4.49Å
982D92Very high80.1Confident42 Ų4254.7 Ų54.723%0.22528%0.276CS..EExtended strand (participates in β ladder)trans-72.4109.6163.4-177.4-32.5000110.4E852 K984 N985 L986E852-D982 VanDerWaalsContact OE2-CB 3.22Å; E852-D982 WeakPolarHBondContact OE2-CB 3.18Å; E852-D982 PolarHBondContact OE2-N 3.46Å; D982-K984 VanDerWaalsContact C-N 3.34Å; D982-K984 PolarHBondContact O-N 2.68Å; D982-K984 WeakPolarHBondContact OD1-CA 3.43Å; D982-K984 WeakPolarHBondContact OD1-CB 3.05Å; D982-K984 PolarHBondContact OD1-N 2.72Å; D982-N985 HydrophobicContact CB-CB 4.06Å; D982-N985 VanDerWaalsContact CG-ND2 3.34Å; D982-N985 PolarHBondContact OD1-N 2.88Å; D982-N985 PolarHBondContact OD2-ND2 3.47Å; D982-L986 VanDerWaalsContact O-CB 3.31Å; D982-L986 WeakPolarHBondContact O-CB 3.16Å; D982-L986 PolarHBondContact O-N 2.66Å
983L89.6Confident78.6Confident0 Ų050.8 Ų50.80%027%0.268CS..Hα-helixtrans-68.4-30.7-179.1-63.6177.1000112.4L897 F901 M927 M954 R958 L960 I981 L986 L987L897-L983 HydrophobicContact CD1-CB 3.75Å; F901-L983 HydrophobicContact CE2-CD2 3.76Å; F901-L983 HydrophobicContact CZ-CD2 3.8Å; M927-L983 HydrophobicContact CE-CD1 4.4Å; M954-L983 HydrophobicContact CE-CD1 3.59Å; R958-L983 WeakPolarHBondContact O-CB 3.25Å; R958-L983 PolarHBondContact O-N 2.9Å; L960-L983 HydrophobicContact CB-CD1 4.16Å; L960-L983 HydrophobicContact CB-CD2 3.82Å; L960-L983 HydrophobicContact CB-CG 4.02Å; L960-L983 HydrophobicContact CD2-CD2 4.34Å; I981-L983 PolarHBondContact O-N 2.74Å; L983-L986 PolarHBondContact O-N 2.89Å; L983-L987 WeakPolarHBondContact O-CB 3.45Å; L983-L987 VanDerWaalsContact O-CD1 3.28Å; L983-L987 WeakPolarHBondContact O-CD1 3.32Å; L983-L987 PolarHBondContact O-N 3.07Å
984K82.8Confident76.8Confident103 Ų10350.9 Ų50.945%0.44827%0.27SS..Hα-helixtrans-73.1-42.9179.7-176.6166.5-177157.80111G895 L897 D982 L986 G988G895-K984 PolarHBondContact O-NZ 3.47Å; L897-K984 HydrophobicContact CD1-CB 4.49Å; D982-K984 VanDerWaalsContact C-N 3.34Å; D982-K984 PolarHBondContact O-N 2.68Å; D982-K984 WeakPolarHBondContact OD1-CA 3.43Å; D982-K984 WeakPolarHBondContact OD1-CB 3.05Å; D982-K984 PolarHBondContact OD1-N 2.72Å; K984-L986 VanDerWaalsContact C-N 3.35Å; K984-G988 PolarHBondContact O-N 2.81Å
985N83.3Confident74.6Confident85 Ų8551 Ų5146%0.45528%0.28SS..Hα-helixtrans-67.8-34.7172.8-81.8-43.1000112.1D982 K989D982-N985 HydrophobicContact CB-CB 4.06Å; D982-N985 VanDerWaalsContact CG-ND2 3.34Å; D982-N985 PolarHBondContact OD1-N 2.88Å; D982-N985 PolarHBondContact OD2-ND2 3.47Å; N985-K989 WeakPolarHBondContact O-CD 3.14Å; N985-K989 WeakPolarHBondContact O-CE 3.45Å; N985-K989 WeakPolarHBondContact O-CG 3.24Å; N985-K989 PolarHBondContact O-N 2.83Å
986L83Confident71.9Confident16 Ų1651.9 Ų51.98%0.08430%0.299CS..Hα-helixtrans-65.7-63.7173.2-178.864.5000111.2L849 I981 D982 L983 K984 G988 K989 L990 I1022 L1036L849-L986 HydrophobicContact CD1-CD1 4.26Å; I981-L986 HydrophobicContact CG2-CB 4.32Å; I981-L986 HydrophobicContact CG2-CD2 4.01Å; D982-L986 VanDerWaalsContact O-CB 3.31Å; D982-L986 WeakPolarHBondContact O-CB 3.16Å; D982-L986 PolarHBondContact O-N 2.66Å; L983-L986 PolarHBondContact O-N 2.89Å; K984-L986 VanDerWaalsContact C-N 3.35Å; L986-G988 VanDerWaalsContact C-N 3.29Å; L986-G988 PolarHBondContact O-N 3.14Å; L986-K989 PolarHBondContact O-N 2.65Å; L986-L990 HydrophobicContact CD1-CD1 3.72Å; L986-L990 HydrophobicContact CG-CD1 3.8Å; L986-L990 WeakPolarHBondContact O-CD1 3.39Å; L986-L990 VanDerWaalsContact O-CG 3.25Å; L986-L990 WeakPolarHBondContact O-CG 3.4Å; L986-L990 PolarHBondContact O-N 3.49Å; L986-I1022 HydrophobicContact CD1-CD1 3.74Å; L986-I1022 HydrophobicContact CD2-CD1 3.95Å; L986-L1036 HydrophobicContact CD2-CD1 3.61Å
987L77.8Confident69.1Low23 Ų2355 Ų5512%0.1232%0.321CS..Hα-helixtrans-63.1-33.7-174.7-83.767.2000112.1L897 L983 L990 T991 H1038L897-L987 HydrophobicContact CD1-CD2 4.16Å; L897-L987 HydrophobicContact CD2-CD2 3.93Å; L983-L987 WeakPolarHBondContact O-CB 3.45Å; L983-L987 VanDerWaalsContact O-CD1 3.28Å; L983-L987 WeakPolarHBondContact O-CD1 3.32Å; L983-L987 PolarHBondContact O-N 3.07Å; L987-L990 PolarHBondContact O-N 3.21Å; L987-T991 PolarHBondContact O-N 3.05Å; L987-T991 PolarHBondContact O-OG1 3.35Å; L987-H1038 HydrophobicContact CD2-CB 3.86Å
988G70.5Confident66.2Low33 Ų3361 Ų6134%0.3436%0.359SS..Hα-helixtrans-67.4-33.7177.400000114.7K984 L986 L990 T991 S992K984-G988 PolarHBondContact O-N 2.81Å; L986-G988 VanDerWaalsContact C-N 3.29Å; L986-G988 PolarHBondContact O-N 3.14Å; G988-L990 VanDerWaalsContact C-N 3.3Å; G988-T991 PolarHBondContact O-OG1 3.24Å; G988-S992 WeakPolarHBondContact O-CB 3.43Å; G988-S992 PolarHBondContact O-N 3.09Å; G988-S992 PolarHBondContact O-OG 2.83Å
989K64.6Low63Low129 Ų12963.6 Ų63.656%0.56138%0.384SS*.Hα-helixtrans-66.5-36.7171.3-71.8165.6-169.3169.90111.1N985 L986 S992 S993N985-K989 WeakPolarHBondContact O-CD 3.14Å; N985-K989 WeakPolarHBondContact O-CE 3.45Å; N985-K989 WeakPolarHBondContact O-CG 3.24Å; N985-K989 PolarHBondContact O-N 2.83Å; L986-K989 PolarHBondContact O-N 2.65Å; K989-S992 WeakPolarHBondContact O-CB 3.27Å; K989-S992 PolarHBondContact O-N 3.02Å; K989-S993 PolarHBondContact O-N 3.34Å; K989-S993 VanDerWaalsContact O-N 3.14Å
990L56.4Low59.9Low20 Ų2070.5 Ų70.511%0.10542%0.421CS..Hα-helixtrans-83.8-29.6-171.2-61.3166.4000113.5L986 L987 G988 S992 S993 N994 Y1020L986-L990 HydrophobicContact CD1-CD1 3.72Å; L986-L990 HydrophobicContact CG-CD1 3.8Å; L986-L990 WeakPolarHBondContact O-CD1 3.39Å; L986-L990 VanDerWaalsContact O-CG 3.25Å; L986-L990 WeakPolarHBondContact O-CG 3.4Å; L986-L990 PolarHBondContact O-N 3.49Å; L987-L990 PolarHBondContact O-N 3.21Å; G988-L990 VanDerWaalsContact C-N 3.3Å; L990-S992 VanDerWaalsContact C-N 3.26Å; L990-S993 PolarHBondContact O-OG 2.91Å; L990-N994 PolarHBondContact O-OD1 3.27Å; L990-Y1020 HydrophobicContact CB-CD1 4.39Å; L990-Y1020 HydrophobicContact CB-CE1 3.78Å; L990-Y1020 HydrophobicContact CB-CE2 4.45Å; L990-Y1020 HydrophobicContact CD1-CD1 3.63Å; L990-Y1020 HydrophobicContact CD1-CD2 3.65Å; L990-Y1020 HydrophobicContact CD1-CE1 3.8Å; L990-Y1020 HydrophobicContact CD1-CE2 3.82Å; L990-Y1020 HydrophobicContact CD1-CG 3.52Å; L990-Y1020 HydrophobicContact CD2-CD1 3.57Å; L990-Y1020 HydrophobicContact CD2-CE1 3.71Å; L990-Y1020 HydrophobicContact CD2-CG 4.27Å; L990-Y1020 HydrophobicContact CG-CD1 4.04Å; L990-Y1020 HydrophobicContact CG-CE1 3.95Å; L990-Y1020 HydrophobicContact CG-CG 4.42Å
991T55.5Low56.9Low92 Ų9277.6 Ų77.656%0.56446%0.464SS*.Hα-helixtrans-68.8-29.3165.849.90000111.7L987 G988L987-T991 PolarHBondContact O-N 3.05Å; L987-T991 PolarHBondContact O-OG1 3.35Å; G988-T991 PolarHBondContact O-OG1 3.24Å
992S46.1Very low53.7Low86 Ų8682.5 Ų82.560%0.60150%0.499SS*.Hα-helixtrans-75.6-33179.2-55.40000112.9G988 K989 L990G988-S992 WeakPolarHBondContact O-CB 3.43Å; G988-S992 PolarHBondContact O-N 3.09Å; G988-S992 PolarHBondContact O-OG 2.83Å; K989-S992 WeakPolarHBondContact O-CB 3.27Å; K989-S992 PolarHBondContact O-N 3.02Å; L990-S992 VanDerWaalsContact C-N 3.26Å
993S42.4Very low50.9Low68 Ų6887.4 Ų87.448%0.47653%0.531SS..Hα-helixtrans-73.4-30179.354.20000114.2K989 L990K989-S993 PolarHBondContact O-N 3.34Å; K989-S993 VanDerWaalsContact O-N 3.14Å; L990-S993 PolarHBondContact O-OG 2.91Å
994N39Very low47.9Very low69 Ų6991.5 Ų91.537%0.36957%0.572SS.*G310 helixtrans-89.9-0.7-167.4-67.617.1000114.2L990 A996L990-N994 PolarHBondContact O-OD1 3.27Å; N994-A996 PolarHBondContact O-N 2.88Å
995I36.5Very low45.4Very low146 Ų14693.2 Ų93.275%0.74958%0.582SS**G310 helixtrans-75.3-15.4179.8-66.2168.5000112S997I995-S997 VanDerWaalsContact C-N 3.33Å; I995-S997 PolarHBondContact O-N 2.93Å
996A31.9Very low43Very low99 Ų9993.6 Ų93.682%0.81858%0.584SS**G310 helixtrans-810.1-177.700000115.2N994N994-A996 PolarHBondContact O-N 2.88Å
997S28.6Very low40.6Very low81 Ų8195 Ų9557%0.56659%0.591SS**SBendtrans-149.1148.5-177.858.70000114.2I995I995-S997 VanDerWaalsContact C-N 3.33Å; I995-S997 PolarHBondContact O-N 2.93Å
998T30.6Very low39.1Very low137 Ų13795.6 Ų95.684%0.8459%0.594SS**  trans6282.6178.454.60000117.3
999S28.9Very low37.9Very low101 Ų10194.1 Ų94.171%0.70658%0.578SS**  trans-72164.9135.451.70000110.5
1000N28.9Very low37Very low145 Ų14589.9 Ų89.978%0.77556%0.564SS**  trans63.2105173.9-56.5-13.9000117.4
1001T32Very low36.3Very low149 Ų14990.2 Ų90.291%0.91457%0.568SS**  178152112.4270000111.5
1002S27.2Very low36Very low109 Ų10986.3 Ų86.376%0.76254%0.544SS*.  trans-93.2146172.647.10000111.3
1003T32.4Very low35.7Very low145 Ų14586.2 Ų86.289%0.8954%0.543SS*.  trans-173.7138.9150.339.80000108.9
1004G26.7Very low35.7Very low85 Ų8588.8 Ų88.888%0.87655%0.55SS**  trans-96.5106.5175.800000112.8
1005E31.1Very low36.1Very low140 Ų14089.1 Ų89.165%0.65455%0.552SS**  trans-149.585.7160.8-152.8170.5-154.300110.4
1006L32.8Very low36.8Very low93 Ų9383.5 Ų83.549%0.48753%0.525SS..  trans-123.179.9167.5-78.4176.8000109.1L1008 N1048L1006-L1008 HydrophobicContact CD2-CD1 4.23Å; L1006-L1008 HydrophobicContact CD2-CG 4.34Å; L1006-N1048 PolarHBondContact O-ND2 2.77Å
1007I33.1Very low37.9Very low46 Ų4689.1 Ų89.124%0.23653%0.532CS..  trans-92.2114.7153.1-56171.4000105P1010 R1064I1007-P1010 WeakPolarHBondContact O-CD 3.47Å; I1007-R1064 HydrophobicContact CD1-CG 4.45Å
1008L46.2Very low39.6Very low35 Ų3589.6 Ų89.618%0.18353%0.528CS..  trans-127.3104.4168.7-66.6-178.5000106.5L1006 V1012 I1039 E1191L1006-L1008 HydrophobicContact CD2-CD1 4.23Å; L1006-L1008 HydrophobicContact CD2-CG 4.34Å; L1008-V1012 HydrophobicContact CD1-CG1 4.29Å; L1008-V1012 HydrophobicContact CD2-CB 4.13Å; L1008-V1012 HydrophobicContact CD2-CG1 3.76Å; L1008-V1012 HydrophobicContact CD2-CG2 4.13Å; L1008-I1039 HydrophobicContact CD1-CD1 4.18Å; L1008-E1191 WeakPolarHBondContact O-CG 3.48Å
1009S44.1Very low41.8Very low1 Ų184.5 Ų84.51%0.00750%0.496CS..  -138.194.859.4-31.10000116.1R1139 D1187 R1190 E1191S1009-R1139 WeakPolarHBondContact O-CD 3.36Å; S1009-R1139 PolarHBondContact O-NE 3.08Å; S1009-R1139 PolarHBondContact O-NH1 3Å; S1009-R1139 VanDerWaalsContact O-NH1 3.16Å; S1009-R1139 PolarHBondContact O-NH2 3.42Å; S1009-D1187 WeakPolarHBondContact CB-OD2 3.38Å; S1009-D1187 PolarHBondContact OG-OD2 3.48Å; S1009-R1190 PolarHBondContact OG-NH2 2.93Å; S1009-E1191 WeakPolarHBondContact CB-OE1 3.39Å; S1009-E1191 PolarHBondContact N-OE1 2.7Å; S1009-E1191 PolarHBondContact N-OE2 2.85Å; S1009-E1191 VanDerWaalsContact N-OE2 3.08Å; S1009-E1191 PolarHBondContact OG-OE1 2.69Å
1010P47.4Very low44.5Very low41 Ų4181.7 Ų81.727%0.26647%0.471SS..SBend-57-177.8124.2-12.530.2000109.4I1007 V1012I1007-P1010 WeakPolarHBondContact O-CD 3.47Å; P1010-V1012 PolarHBondContact O-N 3.37Å
1011S41.3Very low47.4Very low26 Ų2677.4 Ų77.418%0.18245%0.445CS..SBendtrans-70.742.8164.4-59.50000112.9S1013 V1132 L1136S1011-S1013 VanDerWaalsContact C-N 3.31Å; S1011-S1013 PolarHBondContact O-N 2.88Å; S1011-V1132 WeakPolarHBondContact OG-CG1 3.05Å; S1011-L1136 VanDerWaalsContact OG-CD1 3.29Å; S1011-L1136 WeakPolarHBondContact OG-CD1 3.18Å; S1011-L1136 WeakPolarHBondContact OG-CD2 3.48Å; S1011-L1136 VanDerWaalsContact OG-CG 3.23Å; S1011-L1136 WeakPolarHBondContact OG-CG 3.32Å
1012V48.4Very low50.2Low10 Ų1070.4 Ų70.46%0.06140%0.402CS..SBendtrans44.256.7-167-164.50000111.4I902 L1008 P1010 I1014 I1039I902-V1012 HydrophobicContact CD1-CB 3.63Å; I902-V1012 HydrophobicContact CD1-CG1 4.14Å; I902-V1012 HydrophobicContact CD1-CG2 3.64Å; L1008-V1012 HydrophobicContact CD1-CG1 4.29Å; L1008-V1012 HydrophobicContact CD2-CB 4.13Å; L1008-V1012 HydrophobicContact CD2-CG1 3.76Å; L1008-V1012 HydrophobicContact CD2-CG2 4.13Å; P1010-V1012 PolarHBondContact O-N 3.37Å; V1012-I1014 VanDerWaalsContact C-N 3.3Å; V1012-I1014 PolarHBondContact O-N 3.02Å; V1012-I1014 VanDerWaalsContact O-N 3.08Å; V1012-I1039 HydrophobicContact CB-CD1 4.3Å; V1012-I1039 HydrophobicContact CG1-CD1 3.63Å; V1012-I1039 HydrophobicContact CG2-CD1 3.8Å
1013S39.4Very low53.4Low85 Ų8565.5 Ų65.559%0.59437%0.368SS*.SBendtrans44.547.2169.464.50000114.8S1011 L1015S1011-S1013 VanDerWaalsContact C-N 3.31Å; S1011-S1013 PolarHBondContact O-N 2.88Å; S1013-L1015 PolarHBondContact O-N 3.15Å
1014I43.5Very low56.4Low121 Ų12158.6 Ų58.662%0.62133%0.325SS*.SBendtrans28.782177.9-50.3-179.4000112.4V1012V1012-I1014 VanDerWaalsContact C-N 3.3Å; V1012-I1014 PolarHBondContact O-N 3.02Å; V1012-I1014 VanDerWaalsContact O-N 3.08Å
1015L47.7Very low59.6Low76 Ų7659.7 Ų59.740%0.39831%0.308SS..SBendtrans76.597.9-170.1-71.270.5000115S1013 V1019 E1035S1013-L1015 PolarHBondContact O-N 3.15Å; L1015-V1019 HydrophobicContact CB-CB 4.34Å; L1015-V1019 HydrophobicContact CB-CG2 3.78Å; L1015-V1019 HydrophobicContact CD2-CB 4.05Å; L1015-V1019 HydrophobicContact CD2-CG1 3.76Å; L1015-V1019 HydrophobicContact CD2-CG2 4.3Å; L1015-V1019 HydrophobicContact CG-CB 4.08Å; L1015-V1019 HydrophobicContact CG-CG1 3.89Å; L1015-V1019 HydrophobicContact CG-CG2 3.78Å; L1015-E1035 WeakPolarHBondContact CD2-OE2 3.04Å
1016S51.5Low62.6Low28 Ų2853.1 Ų53.120%0.19628%0.277CS..  trans-39.9145151.2-55.30000112.2N1018 V1019S1016-N1018 PolarHBondContact O-N 3.38Å; S1016-V1019 WeakPolarHBondContact O-CG2 3.35Å; S1016-V1019 PolarHBondContact O-N 3.49Å
1017K54Low65.3Low218 Ų21851.8 Ų51.895%0.94827%0.269SS*.SBendtrans-52.7-21.9176.1-67.5-176.2179.11790114.5
1018N65.2Low67.8Low91 Ų9154.7 Ų54.749%0.48729%0.29SS..SBendtrans-106.976.7176-63.5-16.8000110.6S1016 S1037S1016-N1018 PolarHBondContact O-N 3.38Å; N1018-S1037 VanDerWaalsContact O-CB 3.29Å; N1018-S1037 WeakPolarHBondContact O-CB 3.35Å
1019V76.9Confident69.7Low30 Ų3062.5 Ų62.518%0.18232%0.317CS..  trans-118.4138.9174.6166.40000111.2L1015 S1016 E1035 L1036L1015-V1019 HydrophobicContact CB-CB 4.34Å; L1015-V1019 HydrophobicContact CB-CG2 3.78Å; L1015-V1019 HydrophobicContact CD2-CB 4.05Å; L1015-V1019 HydrophobicContact CD2-CG1 3.76Å; L1015-V1019 HydrophobicContact CD2-CG2 4.3Å; L1015-V1019 HydrophobicContact CG-CB 4.08Å; L1015-V1019 HydrophobicContact CG-CG1 3.89Å; L1015-V1019 HydrophobicContact CG-CG2 3.78Å; S1016-V1019 WeakPolarHBondContact O-CG2 3.35Å; S1016-V1019 PolarHBondContact O-N 3.49Å; V1019-E1035 HydrophobicContact CG1-CB 4.06Å; V1019-E1035 HydrophobicContact CG1-CG 3.97Å; V1019-L1036 WeakPolarHBondContact CA-O 3.29Å
1020Y83.8Confident71.9Confident42 Ų4263 Ų6317%0.16532%0.323CS..EExtended strand (participates in β ladder)trans-115.5119-171.4-47.8-67.4000110.3L990 E1035 L1036L990-Y1020 HydrophobicContact CB-CD1 4.39Å; L990-Y1020 HydrophobicContact CB-CE1 3.78Å; L990-Y1020 HydrophobicContact CB-CE2 4.45Å; L990-Y1020 HydrophobicContact CD1-CD1 3.63Å; L990-Y1020 HydrophobicContact CD1-CD2 3.65Å; L990-Y1020 HydrophobicContact CD1-CE1 3.8Å; L990-Y1020 HydrophobicContact CD1-CE2 3.82Å; L990-Y1020 HydrophobicContact CD1-CG 3.52Å; L990-Y1020 HydrophobicContact CD2-CD1 3.57Å; L990-Y1020 HydrophobicContact CD2-CE1 3.71Å; L990-Y1020 HydrophobicContact CD2-CG 4.27Å; L990-Y1020 HydrophobicContact CG-CD1 4.04Å; L990-Y1020 HydrophobicContact CG-CE1 3.95Å; L990-Y1020 HydrophobicContact CG-CG 4.42Å; Y1020-E1035 WeakPolarHBondContact O-CA 3.2Å; Y1020-L1036 WeakPolarHBondContact CD2-O 3.41Å; Y1020-L1036 PolarHBondContact N-O 3.49Å; Y1020-L1036 PolarHBondContact O-N 3.33Å
1021K89.8Confident74Confident55 Ų5562.8 Ų62.824%0.23932%0.321CS..EExtended strand (participates in β ladder)trans-93114.9-176.9-56-167.8-179.3-690109.5F846 L847 E1035F846-K1021 HydrophobicContact CD1-CB 3.81Å; F846-K1021 HydrophobicContact CD2-CB 4.05Å; F846-K1021 HydrophobicContact CD2-CD 4.41Å; F846-K1021 HydrophobicContact CE1-CB 3.8Å; F846-K1021 HydrophobicContact CE2-CB 4.06Å; F846-K1021 HydrophobicContact CE2-CD 3.89Å; F846-K1021 HydrophobicContact CE2-CG 4.45Å; F846-K1021 HydrophobicContact CG-CB 3.93Å; F846-K1021 HydrophobicContact CZ-CB 3.93Å; F846-K1021 HydrophobicContact CZ-CD 4.09Å; F846-K1021 HydrophobicContact CZ-CG 4.29Å; L847-K1021 PolarHBondContact N-O 2.82Å; K1021-E1035 HydrophobicContact CB-CG 4.28Å; K1021-E1035 HydrophobicContact CG-CG 3.74Å; K1021-E1035 IonicContact NZ-OE1 2.68Å; K1021-E1035 PolarHBondContact NZ-OE1 3.16Å; K1021-E1035 IonicContact NZ-OE2 3.79Å; K1021-E1035 PolarHBondContact NZ-OE2 3.16Å
1022I92.1Very high76.6Confident2 Ų261.6 Ų61.61%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-128128.2-169.8-58.2-172000111.4L847 L849 L986 L1034 L1036L847-I1022 CarbonylContact O-C 3.55Å; L847-I1022 VanDerWaalsContact O-CA 3.32Å; L847-I1022 WeakPolarHBondContact O-CA 3.23Å; L849-I1022 HydrophobicContact CB-CG2 4.06Å; L849-I1022 HydrophobicContact CD1-CD1 3.89Å; L849-I1022 HydrophobicContact CD1-CG2 3.83Å; L849-I1022 HydrophobicContact CG-CG2 3.89Å; L986-I1022 HydrophobicContact CD1-CD1 3.74Å; L986-I1022 HydrophobicContact CD2-CD1 3.95Å; I1022-L1034 PolarHBondContact N-O 2.7Å; I1022-L1034 PolarHBondContact O-N 3.19Å; I1022-L1036 HydrophobicContact CD1-CD1 3.57Å; I1022-L1036 HydrophobicContact CD1-CG 4.43Å; I1022-L1036 HydrophobicContact CG1-CD1 4.44Å
1023A94.4Very high78.8Confident5 Ų562.2 Ų62.24%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-96.392.1168.600000108.7F846 L847 T848 L849 Q1025 V1031 Y1033F846-A1023 HydrophobicContact CB-CB 4.09Å; L847-A1023 PolarHBondContact O-N 3.2Å; T848-A1023 WeakPolarHBondContact CA-O 3.38Å; L849-A1023 PolarHBondContact N-O 2.97Å; A1023-Q1025 PolarHBondContact O-N 3.14Å; A1023-V1031 HydrophobicContact CB-CG1 3.83Å; A1023-Y1033 HydrophobicContact CB-CD1 4.03Å; A1023-Y1033 HydrophobicContact CB-CE1 3.94Å
1024L95.1Very high81.4Confident0 Ų058.1 Ų58.10%029%0.285CS..EExtended strand (participates in β ladder)trans-77.9113-178.3-178.163.5000110.1I981 L1026 V1031 L1032 L1034I981-L1024 HydrophobicContact CD1-CD1 4Å; I981-L1024 HydrophobicContact CD1-CD2 4.08Å; I981-L1024 HydrophobicContact CG1-CD1 3.73Å; I981-L1024 HydrophobicContact CG1-CD2 4.24Å; L1024-L1026 HydrophobicContact CD2-CD2 3.92Å; L1024-L1026 HydrophobicContact CG-CD2 3.93Å; L1024-L1026 PolarHBondContact O-N 3.03Å; L1024-V1031 WeakPolarHBondContact O-CA 3.43Å; L1024-L1032 PolarHBondContact N-O 3.07Å; L1024-L1032 PolarHBondContact O-N 3.28Å; L1024-L1034 HydrophobicContact CB-CD1 4.16Å; L1024-L1034 HydrophobicContact CD2-CD1 4Å
1025Q94.4Very high83.7Confident108 Ų10853.4 Ų53.451%0.50526%0.26SS..EExtended strand (participates in β ladder)trans-79.2111.5178-177.5-179.4-0.700110.4L849 S851 A1023 G1030L849-Q1025 PolarHBondContact O-N 3.41Å; S851-Q1025 VanDerWaalsContact CB-O 3.27Å; S851-Q1025 WeakPolarHBondContact CB-O 3.17Å; S851-Q1025 PolarHBondContact N-O 2.95Å; A1023-Q1025 PolarHBondContact O-N 3.14Å; Q1025-G1030 CarbonylContact C-O 3.57Å; Q1025-G1030 WeakPolarHBondContact CA-O 3.34Å
1026L93.3Very high85.7Confident3 Ų349.9 Ų49.92%0.01624%0.242CC..  trans-83.6140.6-176.1-51.7-171.4000112.5L911 L964 F977 Y978 L1024 P1028 R1029 G1030 L1032L911-L1026 HydrophobicContact CD2-CD1 3.73Å; L964-L1026 HydrophobicContact CD1-CD1 3.59Å; L964-L1026 HydrophobicContact CG-CD1 4.26Å; F977-L1026 HydrophobicContact CB-CB 4.15Å; F977-L1026 HydrophobicContact CB-CD1 3.76Å; Y978-L1026 CarbonylContact O-C 3.5Å; Y978-L1026 VanDerWaalsContact O-CA 3.3Å; Y978-L1026 WeakPolarHBondContact O-CA 3.21Å; Y978-L1026 WeakPolarHBondContact O-CB 3.43Å; L1024-L1026 HydrophobicContact CD2-CD2 3.92Å; L1024-L1026 HydrophobicContact CG-CD2 3.93Å; L1024-L1026 PolarHBondContact O-N 3.03Å; L1026-P1028 CarbonylContact O-C 3.48Å; L1026-R1029 CarbonylContact O-C 3.34Å; L1026-R1029 WeakPolarHBondContact O-CA 3.43Å; L1026-R1029 PolarHBondContact O-N 3.3Å; L1026-G1030 PolarHBondContact N-O 3.01Å; L1026-G1030 PolarHBondContact O-N 3.41Å; L1026-L1032 HydrophobicContact CD1-CB 4.35Å; L1026-L1032 HydrophobicContact CD2-CB 4.26Å; L1026-L1032 HydrophobicContact CG-CB 4.4Å
1027E89.3Confident87.4Confident65 Ų6548.8 Ų48.830%0.30423%0.234SC..BIsolated β-bridgetrans-74.3142.9163.1-67.4-168.9-163.800110.7R853 F977 Y978R853-E1027 IonicContact CZ-OE1 3.64Å; R853-E1027 IonicContact CZ-OE2 3.35Å; R853-E1027 IonicContact NE-OE1 2.82Å; R853-E1027 PolarHBondContact NE-OE1 3.24Å; R853-E1027 IonicContact NE-OE2 3.32Å; R853-E1027 PolarHBondContact NE-OE2 3.23Å; R853-E1027 IonicContact NH2-OE1 3.6Å; R853-E1027 IonicContact NH2-OE2 2.64Å; R853-E1027 PolarHBondContact NH2-OE2 3.02Å; F977-E1027 CarbonylContact C-O 3.54Å; F977-E1027 WeakPolarHBondContact CA-O 3.46Å; Y978-E1027 PolarHBondContact N-O 3.43Å; Y978-E1027 PolarHBondContact O-N 3.04Å
1028P86.5Confident89Confident106 Ų10640.8 Ų40.869%0.68820%0.2SC*.SBendcis-78.4-25-7.932.1-35000112.7C976 L1026C976-P1028 WeakPolarHBondContact O-CD 3.5Å; L1026-P1028 CarbonylContact O-C 3.48Å
1029R85.8Confident89.9Confident200 Ų20037.2 Ų37.276%0.75518%0.181SC*.SBendtrans-154.2131.4176.5-62.1-175.5701781.9110.4F977 L1026F977-R1029 WeakPolarHBondContact CD1-O 3.33Å; F977-R1029 WeakPolarHBondContact CE1-O 2.86Å; L1026-R1029 CarbonylContact O-C 3.34Å; L1026-R1029 WeakPolarHBondContact O-CA 3.43Å; L1026-R1029 PolarHBondContact O-N 3.3Å
1030G89.2Confident90.2Very high12 Ų1238 Ų3812%0.12419%0.187CC..  trans158.7168.7171.700000111.2K909 Q1025 L1026K909-G1030 CarbonylContact O-C 3.56Å; K909-G1030 WeakPolarHBondContact O-CA 3.13Å; Q1025-G1030 CarbonylContact C-O 3.57Å; Q1025-G1030 WeakPolarHBondContact CA-O 3.34Å; L1026-G1030 PolarHBondContact N-O 3.01Å; L1026-G1030 PolarHBondContact O-N 3.41Å
1031V93.4Very high90.1Very high36 Ų3637 Ų3722%0.21818%0.184CC..EExtended strand (participates in β ladder)trans-133.8133.5166.8-179.50000108.2K909 A1023 L1024 Y1033K909-V1031 HydrophobicContact CB-CB 4.43Å; K909-V1031 PolarHBondContact N-O 3.43Å; K909-V1031 PolarHBondContact O-N 3.18Å; A1023-V1031 HydrophobicContact CB-CG1 3.83Å; L1024-V1031 WeakPolarHBondContact O-CA 3.43Å; V1031-Y1033 HydrophobicContact CG1-CD1 4.44Å; V1031-Y1033 HydrophobicContact CG1-CD2 4.45Å; V1031-Y1033 HydrophobicContact CG1-CE1 4.1Å; V1031-Y1033 HydrophobicContact CG1-CE2 4.12Å
1032L94.6Very high89.5Confident0 Ų041 Ų410%020%0.204CC..EExtended strand (participates in β ladder)trans-112.8122.2169.8-164.468.3000108V905 W946 V962 L1024 L1026 L1034V905-L1032 HydrophobicContact CG1-CD1 3.86Å; V905-L1032 HydrophobicContact CG1-CD2 4.19Å; V905-L1032 HydrophobicContact CG1-CG 4.16Å; W946-L1032 HydrophobicContact CE3-CD1 4.47Å; V962-L1032 HydrophobicContact CG1-CD2 3.76Å; L1024-L1032 PolarHBondContact N-O 3.07Å; L1024-L1032 PolarHBondContact O-N 3.28Å; L1026-L1032 HydrophobicContact CD1-CB 4.35Å; L1026-L1032 HydrophobicContact CD2-CB 4.26Å; L1026-L1032 HydrophobicContact CG-CB 4.4Å; L1032-L1034 HydrophobicContact CD2-CD2 3.75Å; L1032-L1034 HydrophobicContact CD2-CG 4.36Å; L1032-L1034 HydrophobicContact CG-CD2 3.82Å; L1032-L1034 HydrophobicContact CG-CG 4.31Å
1033Y94.9Very high88.8Confident23 Ų2347.2 Ų47.29%0.0923%0.23CC..EExtended strand (participates in β ladder)trans-86.8119177.3-63.7-81000108.7F843 F846 I906 A907 K909 Y943 A1023 V1031F843-Y1033 HydrophobicContact CB-CD1 4.18Å; F843-Y1033 HydrophobicContact CB-CE1 3.74Å; F843-Y1033 AromaticContact CD1-CD1 3.49Å; F843-Y1033 HydrophobicContact CD1-CD1 3.49Å; F843-Y1033 VanDerWaalsContact CD1-CD1 3.49Å; F843-Y1033 HydrophobicContact CD1-CD2 4.42Å; F843-Y1033 AromaticContact CD1-CE1 3.9Å; F843-Y1033 HydrophobicContact CD1-CE1 3.9Å; F843-Y1033 AromaticContact CD1-CG 3.78Å; F843-Y1033 HydrophobicContact CD1-CG 3.78Å; F843-Y1033 HydrophobicContact CE1-CD1 4.13Å; F843-Y1033 HydrophobicContact CE1-CD2 4.41Å; F843-Y1033 AromaticContact CE1-CG 3.93Å; F843-Y1033 HydrophobicContact CE1-CG 3.93Å; F843-Y1033 AromaticContact CG-CD1 3.99Å; F843-Y1033 HydrophobicContact CG-CD1 3.99Å; F843-Y1033 AromaticContact CG-CE1 3.89Å; F843-Y1033 HydrophobicContact CG-CE1 3.89Å; F843-Y1033 HydrophobicContact CG-CG 4.46Å; F846-Y1033 AromaticContact CD1-CD1 3.9Å; F846-Y1033 HydrophobicContact CD1-CD1 3.9Å; F846-Y1033 HydrophobicContact CE1-CD1 4.33Å; F846-Y1033 HydrophobicContact CG-CD1 4.21Å; I906-Y1033 WeakPolarHBondContact CB-O 3.46Å; I906-Y1033 PolarHBondContact N-O 3.35Å; A907-Y1033 HydrophobicContact CB-CD2 4.02Å; A907-Y1033 PolarHBondContact O-N 3.03Å; K909-Y1033 HydrophobicContact CB-CE2 3.91Å; K909-Y1033 HydrophobicContact CD-CE2 4.11Å; K909-Y1033 WeakPolarHBondContact CD-OH 3.33Å; Y943-Y1033 HydrophobicContact CE2-CE2 4.3Å; A1023-Y1033 HydrophobicContact CB-CD1 4.03Å; A1023-Y1033 HydrophobicContact CB-CE1 3.94Å; V1031-Y1033 HydrophobicContact CG1-CD1 4.44Å; V1031-Y1033 HydrophobicContact CG1-CD2 4.45Å; V1031-Y1033 HydrophobicContact CG1-CE1 4.1Å; V1031-Y1033 HydrophobicContact CG1-CE2 4.12Å
1034L94.2Very high88.2Confident0 Ų047.7 Ų47.70%023%0.232CC..EExtended strand (participates in β ladder)trans-124.1144.7-172.7-61.4-177.8000110.9L903 H904 V905 I981 I1022 L1024 L1032 L1036L903-L1034 HydrophobicContact CD1-CB 4.49Å; L903-L1034 HydrophobicContact CD1-CD1 4.18Å; L903-L1034 HydrophobicContact CD1-CD2 3.93Å; L903-L1034 HydrophobicContact CD1-CG 4.43Å; H904-L1034 VanDerWaalsContact O-CA 3.31Å; H904-L1034 WeakPolarHBondContact O-CA 3.46Å; V905-L1034 HydrophobicContact CB-CD2 4.26Å; V905-L1034 HydrophobicContact CG1-CD2 4.21Å; V905-L1034 HydrophobicContact CG2-CD2 4.01Å; I981-L1034 HydrophobicContact CD1-CD1 4.49Å; I1022-L1034 PolarHBondContact N-O 2.7Å; I1022-L1034 PolarHBondContact O-N 3.19Å; L1024-L1034 HydrophobicContact CB-CD1 4.16Å; L1024-L1034 HydrophobicContact CD2-CD1 4Å; L1032-L1034 HydrophobicContact CD2-CD2 3.75Å; L1032-L1034 HydrophobicContact CD2-CG 4.36Å; L1032-L1034 HydrophobicContact CG-CD2 3.82Å; L1032-L1034 HydrophobicContact CG-CG 4.31Å; L1034-L1036 HydrophobicContact CB-CD2 4.32Å
1035E91.4Very high87.5Confident22 Ų2248 Ų4810%0.10323%0.234CC..EExtended strand (participates in β ladder)trans-121.9128.1166.7-94.9166.4-142.900110.5F846 H904 I906 L1015 V1019 Y1020 K1021F846-E1035 VanDerWaalsContact CZ-OE1 3.28Å; F846-E1035 WeakPolarHBondContact CZ-OE1 3.37Å; H904-E1035 HydrophobicContact CB-CB 3.95Å; H904-E1035 PolarHBondContact N-O 3.41Å; H904-E1035 PolarHBondContact O-N 3.46Å; I906-E1035 HydrophobicContact CD1-CB 3.96Å; I906-E1035 HydrophobicContact CD1-CG 3.69Å; I906-E1035 VanDerWaalsContact CD1-OE1 3.29Å; I906-E1035 WeakPolarHBondContact CD1-OE1 3.4Å; I906-E1035 HydrophobicContact CG1-CB 4.47Å; L1015-E1035 WeakPolarHBondContact CD2-OE2 3.04Å; V1019-E1035 HydrophobicContact CG1-CB 4.06Å; V1019-E1035 HydrophobicContact CG1-CG 3.97Å; Y1020-E1035 WeakPolarHBondContact O-CA 3.2Å; K1021-E1035 HydrophobicContact CB-CG 4.28Å; K1021-E1035 HydrophobicContact CG-CG 3.74Å; K1021-E1035 IonicContact NZ-OE1 2.68Å; K1021-E1035 PolarHBondContact NZ-OE1 3.16Å; K1021-E1035 IonicContact NZ-OE2 3.79Å; K1021-E1035 PolarHBondContact NZ-OE2 3.16Å
1036L90.6Very high86.5Confident1 Ų146.7 Ų46.71%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-124.3138.9-169.1-51.6-179.2000111.4F901 I902 L903 L986 V1019 Y1020 I1022 L1034F901-L1036 HydrophobicContact CE1-CD2 4.04Å; F901-L1036 HydrophobicContact CZ-CB 4.27Å; F901-L1036 HydrophobicContact CZ-CD1 4.1Å; F901-L1036 HydrophobicContact CZ-CD2 3.85Å; F901-L1036 HydrophobicContact CZ-CG 4.31Å; I902-L1036 WeakPolarHBondContact O-CA 3.32Å; L903-L1036 HydrophobicContact CB-CD2 4.47Å; L903-L1036 HydrophobicContact CD1-CD2 3.33Å; L903-L1036 HydrophobicContact CG-CD2 4.48Å; L986-L1036 HydrophobicContact CD2-CD1 3.61Å; V1019-L1036 WeakPolarHBondContact CA-O 3.29Å; Y1020-L1036 WeakPolarHBondContact CD2-O 3.41Å; Y1020-L1036 PolarHBondContact N-O 3.49Å; Y1020-L1036 PolarHBondContact O-N 3.33Å; I1022-L1036 HydrophobicContact CD1-CD1 3.57Å; I1022-L1036 HydrophobicContact CD1-CG 4.43Å; I1022-L1036 HydrophobicContact CG1-CD1 4.44Å; L1034-L1036 HydrophobicContact CB-CD2 4.32Å
1037S87.2Confident85.6Confident6 Ų647.2 Ų47.24%0.04223%0.229CC..EExtended strand (participates in β ladder)trans-145.5162.4160.559.70000112.2I902 N1018I902-S1037 PolarHBondContact N-O 3.26Å; I902-S1037 PolarHBondContact O-N 3.46Å; N1018-S1037 VanDerWaalsContact O-CB 3.29Å; N1018-S1037 WeakPolarHBondContact O-CB 3.35Å
1038H86.7Confident84Confident50 Ų5048.2 Ų48.223%0.23124%0.236CC..EExtended strand (participates in β ladder)trans-132.8138.3-179.2171.6-110.7000110.6N898 L900 F901 L987N898-H1038 PolarHBondContact O-CE1 3.43Å; N898-H1038 PolarHBondContact O-NE2 3.15Å; L900-H1038 WeakPolarHBondContact O-CA 3.38Å; L900-H1038 PolarHBondContact O-CD2 2.91Å; F901-H1038 HydrophobicContact CD2-CB 4.4Å; L987-H1038 HydrophobicContact CD2-CB 3.86Å
1039I84.2Confident82.4Confident15 Ų1547.7 Ų47.78%0.07723%0.225CC..EExtended strand (participates in β ladder)trans-117.6112.4175.5-51.4176.3000106.9G899 L900 I902 L1008 V1012 K1043 L1044G899-I1039 CarbonylContact C-O 3.6Å; G899-I1039 WeakPolarHBondContact CA-O 3.28Å; L900-I1039 HydrophobicContact CB-CB 4.4Å; L900-I1039 PolarHBondContact N-O 3.04Å; L900-I1039 PolarHBondContact O-N 3.45Å; I902-I1039 HydrophobicContact CD1-CD1 4.31Å; L1008-I1039 HydrophobicContact CD1-CD1 4.18Å; V1012-I1039 HydrophobicContact CB-CD1 4.3Å; V1012-I1039 HydrophobicContact CG1-CD1 3.63Å; V1012-I1039 HydrophobicContact CG2-CD1 3.8Å; I1039-K1043 HydrophobicContact CG2-CB 4.07Å; I1039-L1044 HydrophobicContact CG2-CB 4.07Å
1040P82.4Confident80.4Confident47 Ų4746.1 Ų46.131%0.30523%0.226SC..EExtended strand (participates in β ladder)trans-66.7150.1179.128.2-34.9000111.2E1042 K1043 L1044P1040-E1042 VanDerWaalsContact C-N 3.28Å; P1040-E1042 PolarHBondContact O-N 2.94Å; P1040-E1042 VanDerWaalsContact O-N 3.15Å; P1040-K1043 HydrophobicContact CG-CB 4.29Å; P1040-K1043 HydrophobicContact CG-CD 3.94Å; P1040-K1043 HydrophobicContact CG-CG 4.07Å; P1040-K1043 PolarHBondContact O-N 2.97Å; P1040-L1044 PolarHBondContact O-N 2.78Å
1041L82.5Confident78.1Confident22 Ų2250.4 Ų50.412%0.11525%0.245CC..Hα-helixtrans-47.5-45-173.8-165.168.9000113.9N898 K1043 L1044 F1045 Y1273 P1289N898-L1041 HydrophobicContact CB-CB 4.34Å; N898-L1041 HydrophobicContact CB-CD2 4.43Å; N898-L1041 PolarHBondContact O-N 2.74Å; L1041-K1043 VanDerWaalsContact C-N 3.27Å; L1041-K1043 PolarHBondContact O-N 3.14Å; L1041-L1044 PolarHBondContact O-N 2.83Å; L1041-F1045 HydrophobicContact CD1-CD2 3.78Å; L1041-F1045 HydrophobicContact CD1-CE2 3.62Å; L1041-F1045 HydrophobicContact CG-CD2 4.25Å; L1041-F1045 PolarHBondContact O-N 3Å; L1041-F1045 VanDerWaalsContact O-N 3.12Å; L1041-Y1273 HydrophobicContact CD2-CD2 3.86Å; L1041-Y1273 HydrophobicContact CD2-CE2 3.4Å; L1041-Y1273 VanDerWaalsContact CD2-CE2 3.4Å; L1041-Y1273 HydrophobicContact CG-CD2 3.98Å; L1041-Y1273 HydrophobicContact CG-CE2 3.63Å; L1041-P1289 HydrophobicContact CD2-CG 3.76Å
1042E76.4Confident75.2Confident138 Ų13856 Ų5665%0.64527%0.273SS*.Hα-helixtrans-59.1-32.3178.4-62.1168.4-165.600114.2P1040P1040-E1042 VanDerWaalsContact C-N 3.28Å; P1040-E1042 PolarHBondContact O-N 2.94Å; P1040-E1042 VanDerWaalsContact O-N 3.15Å
1043K78.9Confident72.1Confident132 Ų13259 Ų5957%0.57430%0.295SS*.Hα-helixtrans-88.2-34.7177.4-65.8-174.2-178.9-177.80111.6I1039 P1040 L1041 F1045 H1046I1039-K1043 HydrophobicContact CG2-CB 4.07Å; P1040-K1043 HydrophobicContact CG-CB 4.29Å; P1040-K1043 HydrophobicContact CG-CD 3.94Å; P1040-K1043 HydrophobicContact CG-CG 4.07Å; P1040-K1043 PolarHBondContact O-N 2.97Å; L1041-K1043 VanDerWaalsContact C-N 3.27Å; L1041-K1043 PolarHBondContact O-N 3.14Å; K1043-F1045 VanDerWaalsContact C-N 3.27Å; K1043-F1045 PolarHBondContact O-N 3.09Å; K1043-H1046 PolarHBondContact O-N 3.35Å
1044L81Confident69Low16 Ų1665.4 Ų65.48%0.08434%0.336CS..Hα-helixtrans-61.8-34.9178.5-179.563.9000112.4L900 I1039 P1040 L1041L900-L1044 HydrophobicContact CB-CD1 3.81Å; L900-L1044 HydrophobicContact CB-CD2 3.85Å; L900-L1044 HydrophobicContact CB-CG 4.44Å; L900-L1044 HydrophobicContact CD2-CD1 3.99Å; L900-L1044 HydrophobicContact CG-CD1 4.47Å; I1039-L1044 HydrophobicContact CG2-CB 4.07Å; P1040-L1044 PolarHBondContact O-N 2.78Å; L1041-L1044 PolarHBondContact O-N 2.83Å
1045F80.4Confident66Low6 Ų670.1 Ų70.13%0.02637%0.369CS..THydrogen-bonded Turntrans-105.629.4-179.9-71.9-73.7000113.6L1041 K1043 R1047 R1190 P1269 V1270 Y1273 P1276L1041-F1045 HydrophobicContact CD1-CD2 3.78Å; L1041-F1045 HydrophobicContact CD1-CE2 3.62Å; L1041-F1045 HydrophobicContact CG-CD2 4.25Å; L1041-F1045 PolarHBondContact O-N 3Å; L1041-F1045 VanDerWaalsContact O-N 3.12Å; K1043-F1045 VanDerWaalsContact C-N 3.27Å; K1043-F1045 PolarHBondContact O-N 3.09Å; F1045-R1047 PolarHBondContact O-N 3.23Å; F1045-R1190 HydrophobicContact CD1-CG 3.87Å; F1045-R1190 HydrophobicContact CE1-CB 4.03Å; F1045-R1190 HydrophobicContact CE1-CG 3.6Å; F1045-R1190 HydrophobicContact CZ-CG 4.37Å; F1045-P1269 HydrophobicContact CE2-CB 4.25Å; F1045-P1269 HydrophobicContact CZ-CB 4.29Å; F1045-P1269 WeakPolarHBondContact CZ-O 3.34Å; F1045-V1270 HydrophobicContact CZ-CG2 4.32Å; F1045-Y1273 HydrophobicContact CB-CD1 3.31Å; F1045-Y1273 HydrophobicContact CB-CE1 3.85Å; F1045-Y1273 HydrophobicContact CB-CG 4.02Å; F1045-Y1273 AromaticContact CD2-CD1 3.99Å; F1045-Y1273 HydrophobicContact CD2-CD1 3.99Å; F1045-Y1273 HydrophobicContact CD2-CD2 4.39Å; F1045-Y1273 AromaticContact CD2-CG 3.85Å; F1045-Y1273 HydrophobicContact CD2-CG 3.85Å; F1045-Y1273 AromaticContact CG-CD1 3.76Å; F1045-Y1273 HydrophobicContact CG-CD1 3.76Å; F1045-Y1273 AromaticContact CG-CG 3.93Å; F1045-Y1273 HydrophobicContact CG-CG 3.93Å; F1045-P1276 WeakPolarHBondContact O-CD 3.35Å
1046H72.8Confident63.2Low80 Ų8071.7 Ų71.737%0.3739%0.385SS..  trans-74.571.2175.9-159.492.6000112.3K1043 N1048 P1276K1043-H1046 PolarHBondContact O-N 3.35Å; H1046-N1048 PolarHBondContact O-N 3.47Å; H1046-P1276 HydrophobicContact CB-CG 4.32Å
1047R74.7Confident60.4Low14 Ų1479.8 Ų79.85%0.05343%0.428CS..  trans-63.6101.6178.4-60.5175.9-169.8-90.84.6109.9F1045 Q1049 L1189 R1190 L1192 V1270 Y1273F1045-R1047 PolarHBondContact O-N 3.23Å; R1047-Q1049 PolarHBondContact O-N 3.37Å; R1047-L1189 PolarHBondContact NH1-O 2.93Å; R1047-R1190 PolarHBondContact NH1-O 2.91Å; R1047-R1190 VanDerWaalsContact NH1-O 3.14Å; R1047-L1192 VanDerWaalsContact CD-O 3.24Å; R1047-L1192 WeakPolarHBondContact CD-O 3.4Å; R1047-L1192 WeakPolarHBondContact CG-O 3.29Å; R1047-L1192 PolarHBondContact NH1-O 2.88Å; R1047-V1270 PolarHBondContact NH2-O 3.28Å; R1047-Y1273 PolarHBondContact NE-O 3.48Å
1048N56.4Low57.8Low86 Ų8683.7 Ų83.746%0.4646%0.455SS..  trans-80.3112.2-177.7-92.1-56.3000111.1L1006 H1046L1006-N1048 PolarHBondContact O-ND2 2.77Å; H1046-N1048 PolarHBondContact O-N 3.47Å
1049Q51.8Low55Low96 Ų9686.8 Ų86.845%0.44948%0.483SS..  trans-92.3-10.2-167.8-67.2-178.9-35.100116R1047 P1193R1047-Q1049 PolarHBondContact O-N 3.37Å; Q1049-P1193 WeakPolarHBondContact CG-O 3.42Å; Q1049-P1193 PolarHBondContact NE2-O 3.28Å; Q1049-P1193 VanDerWaalsContact NE2-O 3.11Å
1050H44.6Very low52.8Low166 Ų16690.6 Ų90.677%0.76951%0.507SS*.  trans-125.813.1-150.1-119.1-67.3000119.2L1052H1050-L1052 PolarHBondContact O-N 2.74Å
1051L40Very low51Low102 Ų10291.4 Ų91.453%0.53451%0.513SS..  trans-91.414.4-178.5-83.4166.8000115.3S1053 R1064L1051-S1053 PolarHBondContact O-N 3.03Å; L1051-S1053 VanDerWaalsContact O-N 3.14Å; L1051-R1064 VanDerWaalsContact CD1-NH1 3.29Å
1052L33.3Very low49.3Very low154 Ų15494.5 Ų94.581%0.80653%0.533SS*.  trans-85.361170.7-78.3164.7000110.9H1050H1050-L1052 PolarHBondContact O-N 2.74Å
1053S29.8Very low48.2Very low64 Ų6490.3 Ų90.345%0.44852%0.516SS..SBendtrans-144.771179.3460000112.6L1051 S1055L1051-S1053 PolarHBondContact O-N 3.03Å; L1051-S1053 VanDerWaalsContact O-N 3.14Å; S1053-S1055 VanDerWaalsContact C-N 3.33Å; S1053-S1055 PolarHBondContact O-N 3.49Å; S1053-S1055 PolarHBondContact O-OG 3.44Å
1054T30.5Very low47.5Very low157 Ų15788.7 Ų88.796%0.96351%0.506SS*.SBendtrans60.719.1142.4-26.70000118.8
1055S29.9Very low47.6Very low99 Ų9990.1 Ų90.169%0.69251%0.513SS*.  trans-144-14-173.852.40000117.5S1053 L1057S1053-S1055 VanDerWaalsContact C-N 3.33Å; S1053-S1055 PolarHBondContact O-N 3.49Å; S1053-S1055 PolarHBondContact O-OG 3.44Å; S1055-L1057 VanDerWaalsContact C-N 3.3Å; S1055-L1057 PolarHBondContact O-N 3.37Å
1056A33.2Very low47.9Very low54 Ų5490.2 Ų90.245%0.44651%0.514SS..  trans-81.345.6-167.100000116.4S1058A1056-S1058 PolarHBondContact O-N 3.36Å
1057L31.6Very low48.6Very low171 Ų17186.5 Ų86.590%0.89550%0.497SS*.  trans-77.4-1.5175-103.472.1000114.2S1055 S1059S1055-L1057 VanDerWaalsContact C-N 3.3Å; S1055-L1057 PolarHBondContact O-N 3.37Å; L1057-S1059 PolarHBondContact O-N 3.27Å
1058S31.7Very low49.1Very low88 Ų8887.6 Ų87.662%0.61551%0.512SS*.SBendtrans-79.877.7-176.957.60000114A1056 T1060A1056-S1058 PolarHBondContact O-N 3.36Å; S1058-T1060 PolarHBondContact O-N 2.97Å
1059S29Very low50.7Low116 Ų11683.9 Ų83.981%0.81149%0.492SS*.SBendtrans5221.413965.20000122.2L1057L1057-S1059 PolarHBondContact O-N 3.27Å
1060T37.1Very low52.5Low94 Ų9481 Ų8158%0.57748%0.483SS*.  trans-132.7-1.7162.555.60000114.5S1058 T1062S1058-T1060 PolarHBondContact O-N 2.97Å; T1060-T1062 VanDerWaalsContact C-N 3.32Å; T1060-T1062 PolarHBondContact O-N 3.28Å
1061S44.9Very low54.7Low64 Ų6473.6 Ų73.645%0.44845%0.449SS..G310 helixtrans-78.713.3-158.449.30000117.8D1063 R1064S1061-D1063 VanDerWaalsContact C-N 3.32Å; S1061-D1063 PolarHBondContact O-N 2.83Å; S1061-R1064 PolarHBondContact O-N 2.69Å
1062T47.1Very low57.1Low87 Ų8772.5 Ų72.553%0.53444%0.444SS..G310 helixtrans-66.2-23-170.443.40000116.1T1060 L1065T1060-T1062 VanDerWaalsContact C-N 3.32Å; T1060-T1062 PolarHBondContact O-N 3.28Å; T1062-L1065 WeakPolarHBondContact O-CG 3.4Å
1063D54.2Low59.8Low51 Ų5168.7 Ų68.727%0.27342%0.422SS..G310 helixtrans-79.3-19.7-177.6-81.1-36.3000114.5S1061 L1065 N1143S1061-D1063 VanDerWaalsContact C-N 3.32Å; S1061-D1063 PolarHBondContact O-N 2.83Å; D1063-L1065 PolarHBondContact O-N 3.07Å; D1063-L1065 VanDerWaalsContact O-N 3.09Å; D1063-N1143 PolarHBondContact OD1-ND2 3.24Å; D1063-N1143 VanDerWaalsContact OD1-ND2 3.07Å
1064R64.2Low62.7Low98 Ų9866.1 Ų66.137%0.3740%0.403SS..G310 helixtrans-81.120-177.1-63.4-168.3-175.6177.34114.2I1007 L1051 S1061 V1069I1007-R1064 HydrophobicContact CD1-CG 4.45Å; L1051-R1064 VanDerWaalsContact CD1-NH1 3.29Å; S1061-R1064 PolarHBondContact O-N 2.69Å; R1064-V1069 WeakPolarHBondContact O-CG2 3.46Å
1065L81.2Confident65.6Low45 Ų4558.6 Ų58.624%0.23636%0.357CS..G310 helixtrans-78.7-30.1178.8-67.7178000112.8T1062 D1063 R1077 T1146 K1147 L1150T1062-L1065 WeakPolarHBondContact O-CG 3.4Å; D1063-L1065 PolarHBondContact O-N 3.07Å; D1063-L1065 VanDerWaalsContact O-N 3.09Å; L1065-R1077 PolarHBondContact O-NH1 3.29Å; L1065-T1146 HydrophobicContact CB-CG2 4.35Å; L1065-T1146 WeakPolarHBondContact O-CG2 3.39Å; L1065-K1147 HydrophobicContact CD1-CB 3.74Å; L1065-K1147 HydrophobicContact CD1-CD 4.08Å; L1065-K1147 HydrophobicContact CD1-CG 3.93Å; L1065-L1150 HydrophobicContact CD2-CD1 4.26Å
1066L88Confident68.4Low8 Ų858 Ų584%0.04234%0.343CS..THydrogen-bonded Turntrans-132.8-40.9-179175.262.1000112.5L1074 F1107 F1142 T1146 F1188L1066-L1074 HydrophobicContact CD1-CD2 3.94Å; L1066-F1107 HydrophobicContact CD1-CB 4.23Å; L1066-F1107 HydrophobicContact CD2-CB 4.06Å; L1066-F1107 HydrophobicContact CD2-CD2 3.96Å; L1066-F1107 HydrophobicContact CD2-CG 4.1Å; L1066-F1142 HydrophobicContact CD2-CB 3.7Å; L1066-F1142 HydrophobicContact CD2-CD1 4.5Å; L1066-F1142 HydrophobicContact CD2-CG 4.35Å; L1066-T1146 HydrophobicContact CB-CG2 4.35Å; L1066-F1188 HydrophobicContact CD1-CE2 4.25Å
1067F88.3Confident71Confident3 Ų357.5 Ų57.51%0.01333%0.329CS..THydrogen-bonded Turntrans-93.2143.4-179.2-59.3-99.3000110V1069 F1107 R1139 V1184 F1188 E1191F1067-V1069 PolarHBondContact O-N 3.03Å; F1067-F1107 HydrophobicContact CE1-CZ 4.38Å; F1067-F1107 HydrophobicContact CZ-CE2 4.07Å; F1067-F1107 HydrophobicContact CZ-CZ 4.37Å; F1067-R1139 VanDerWaalsContact CD1-NH1 3.25Å; F1067-R1139 HydrophobicContact CD2-CG 4.21Å; F1067-R1139 HydrophobicContact CE2-CG 3.65Å; F1067-R1139 VanDerWaalsContact CG-CZ 3.46Å; F1067-R1139 HydrophobicContact CZ-CG 3.88Å; F1067-V1184 HydrophobicContact CE1-CG1 3.83Å; F1067-V1184 HydrophobicContact CZ-CG1 3.66Å; F1067-F1188 HydrophobicContact CD1-CB 4.06Å; F1067-F1188 HydrophobicContact CD1-CD2 4.18Å; F1067-F1188 HydrophobicContact CE1-CB 3.83Å; F1067-F1188 HydrophobicContact CE1-CD2 4.29Å; F1067-E1191 WeakPolarHBondContact CB-OE2 3.42Å
1068G85Confident73.7Confident36 Ų3650.3 Ų50.337%0.37129%0.291SS..THydrogen-bonded Turntrans74.75.8-173.100000115.1E1191G1068-E1191 WeakPolarHBondContact CA-O 3.36Å
1069V88.4Confident76.3Confident8 Ų849 Ų495%0.04827%0.273CS..  trans-85.6149.4175-173.90000109.3R1064 F1067 E1073 L1074 P1193R1064-V1069 WeakPolarHBondContact O-CG2 3.46Å; F1067-V1069 PolarHBondContact O-N 3.03Å; V1069-E1073 HydrophobicContact CG1-CB 3.87Å; V1069-E1073 HydrophobicContact CG1-CG 4.22Å; V1069-E1073 WeakPolarHBondContact CG1-OE2 3.48Å; V1069-L1074 HydrophobicContact CB-CD1 4.34Å; V1069-L1074 HydrophobicContact CB-CD2 3.99Å; V1069-L1074 HydrophobicContact CB-CG 4.02Å; V1069-L1074 HydrophobicContact CG1-CD2 3.8Å; V1069-L1074 HydrophobicContact CG1-CG 3.77Å; V1069-P1193 VanDerWaalsContact O-CD 3.29Å; V1069-P1193 WeakPolarHBondContact O-CD 3.37Å
1070S90.5Very high79.1Confident35 Ų3545.4 Ų45.425%0.24525%0.246CC..  trans-69.8155.2174.765.70000111.9D1072 E1073 L1074S1070-D1072 VanDerWaalsContact C-N 3.27Å; S1070-D1072 PolarHBondContact O-N 2.8Å; S1070-E1073 PolarHBondContact O-N 2.73Å; S1070-E1073 WeakPolarHBondContact OG-CB 3.25Å; S1070-E1073 PolarHBondContact OG-N 3.19Å; S1070-L1074 WeakPolarHBondContact O-CG 3.49Å; S1070-L1074 PolarHBondContact O-N 3.04Å; S1070-L1074 VanDerWaalsContact O-N 3.16Å
1071I91.4Very high81.5Confident12 Ų1241.4 Ų41.46%0.06222%0.221CC..Hα-helixtrans-59.6-42.5175.7-69.2173.7000110.2E1073 L1074 I1075 L1192 L1196 N1234 N1235 I1238I1071-E1073 PolarHBondContact O-N 3.46Å; I1071-L1074 PolarHBondContact O-N 3.46Å; I1071-I1075 HydrophobicContact CG2-CD1 3.67Å; I1071-I1075 HydrophobicContact CG2-CG1 4.19Å; I1071-I1075 WeakPolarHBondContact O-CB 3.46Å; I1071-I1075 WeakPolarHBondContact O-CG1 3.48Å; I1071-I1075 PolarHBondContact O-N 3.01Å; I1071-L1192 HydrophobicContact CD1-CD1 4.06Å; I1071-L1192 HydrophobicContact CG1-CD1 4.12Å; I1071-L1192 HydrophobicContact CG1-CD2 4.16Å; I1071-L1196 HydrophobicContact CD1-CD1 3.63Å; I1071-N1234 HydrophobicContact CG2-CB 4.09Å; I1071-N1235 HydrophobicContact CD1-CB 4.48Å; I1071-I1238 HydrophobicContact CG2-CD1 3.69Å
1072D90.5Very high83.3Confident79 Ų7939.2 Ų39.242%0.42221%0.205SC..Hα-helixtrans-62.5-42.6-177.2-47-80.2000112.4S1070 I1075 E1076 N1234S1070-D1072 VanDerWaalsContact C-N 3.27Å; S1070-D1072 PolarHBondContact O-N 2.8Å; D1072-I1075 PolarHBondContact O-N 2.99Å; D1072-E1076 WeakPolarHBondContact O-CB 3.26Å; D1072-E1076 PolarHBondContact O-N 2.8Å; D1072-N1234 PolarHBondContact OD1-ND2 2.85Å
1073E90Very high85.1Confident74 Ų7441.8 Ų41.835%0.34621%0.212SC..Hα-helixtrans-69.1-37.4177.4-165-167.3157.900111.4V1069 S1070 I1071 R1077V1069-E1073 HydrophobicContact CG1-CB 3.87Å; V1069-E1073 HydrophobicContact CG1-CG 4.22Å; V1069-E1073 WeakPolarHBondContact CG1-OE2 3.48Å; S1070-E1073 PolarHBondContact O-N 2.73Å; S1070-E1073 WeakPolarHBondContact OG-CB 3.25Å; S1070-E1073 PolarHBondContact OG-N 3.19Å; I1071-E1073 PolarHBondContact O-N 3.46Å; E1073-R1077 WeakPolarHBondContact O-CB 3.39Å; E1073-R1077 VanDerWaalsContact O-CD 3.26Å; E1073-R1077 WeakPolarHBondContact O-CD 3.48Å; E1073-R1077 WeakPolarHBondContact O-CG 3.31Å; E1073-R1077 PolarHBondContact O-N 3.44Å; E1073-R1077 IonicContact OE1-CZ 2.86Å; E1073-R1077 VanDerWaalsContact OE1-CZ 3.27Å; E1073-R1077 IonicContact OE1-NE 2.65Å; E1073-R1077 PolarHBondContact OE1-NE 3.06Å; E1073-R1077 IonicContact OE1-NH2 3.92Å; E1073-R1077 PolarHBondContact OE1-NH2 3.15Å; E1073-R1077 IonicContact OE2-NH2 3.27Å
1074L90.7Very high86.6Confident9 Ų941.5 Ų41.55%0.04721%0.21CC..Hα-helixtrans-64.8-43174.2-68.2177000112.1L1066 V1069 S1070 I1071 R1077 E1078 P1105 F1188L1066-L1074 HydrophobicContact CD1-CD2 3.94Å; V1069-L1074 HydrophobicContact CB-CD1 4.34Å; V1069-L1074 HydrophobicContact CB-CD2 3.99Å; V1069-L1074 HydrophobicContact CB-CG 4.02Å; V1069-L1074 HydrophobicContact CG1-CD2 3.8Å; V1069-L1074 HydrophobicContact CG1-CG 3.77Å; S1070-L1074 WeakPolarHBondContact O-CG 3.49Å; S1070-L1074 PolarHBondContact O-N 3.04Å; S1070-L1074 VanDerWaalsContact O-N 3.16Å; I1071-L1074 PolarHBondContact O-N 3.46Å; L1074-R1077 PolarHBondContact O-N 3.25Å; L1074-E1078 PolarHBondContact O-N 3.13Å; L1074-E1078 VanDerWaalsContact O-N 3.09Å; L1074-P1105 HydrophobicContact CB-CG 4.2Å; L1074-F1188 HydrophobicContact CD1-CE2 3.67Å; L1074-F1188 HydrophobicContact CD1-CZ 3.57Å
1075I89.9Confident87.4Confident0 Ų037.2 Ų37.20%019%0.194CC..Hα-helixtrans-67.3-39.3177.8-73.8-177.1000111.5I1071 D1072 E1078 R1079 F1103 P1105 N1234 I1238I1071-I1075 HydrophobicContact CG2-CD1 3.67Å; I1071-I1075 HydrophobicContact CG2-CG1 4.19Å; I1071-I1075 WeakPolarHBondContact O-CB 3.46Å; I1071-I1075 WeakPolarHBondContact O-CG1 3.48Å; I1071-I1075 PolarHBondContact O-N 3.01Å; D1072-I1075 PolarHBondContact O-N 2.99Å; I1075-E1078 PolarHBondContact O-N 3.28Å; I1075-R1079 WeakPolarHBondContact O-CG 3.38Å; I1075-R1079 PolarHBondContact O-N 3.39Å; I1075-F1103 WeakPolarHBondContact CG1-O 3.46Å; I1075-F1103 HydrophobicContact CG2-CB 3.88Å; I1075-P1105 HydrophobicContact CG1-CG 4.46Å; I1075-N1234 HydrophobicContact CD1-CB 3.69Å; I1075-N1234 WeakPolarHBondContact CD1-O 3.41Å; I1075-I1238 HydrophobicContact CD1-CD1 4.03Å; I1075-I1238 HydrophobicContact CD1-CG1 4.38Å; I1075-I1238 HydrophobicContact CG1-CD1 4.42Å
1076E88.6Confident87Confident85 Ų8537.6 Ų37.640%0.39721%0.209SC..Hα-helixtrans-68.4-36.5177.5-160.956.6-13700112D1072 E1078 R1079 V1080D1072-E1076 WeakPolarHBondContact O-CB 3.26Å; D1072-E1076 PolarHBondContact O-N 2.8Å; E1076-E1078 VanDerWaalsContact C-N 3.34Å; E1076-E1078 PolarHBondContact O-N 2.85Å; E1076-R1079 WeakPolarHBondContact O-CB 3.42Å; E1076-R1079 PolarHBondContact O-N 3.15Å; E1076-R1079 WeakPolarHBondContact OE2-CD 3.37Å; E1076-R1079 IonicContact OE2-CZ 3.18Å; E1076-R1079 IonicContact OE2-NE 3.72Å; E1076-R1079 IonicContact OE2-NH1 2.73Å; E1076-R1079 PolarHBondContact OE2-NH1 3.23Å; E1076-V1080 WeakPolarHBondContact O-CG2 3.5Å; E1076-V1080 PolarHBondContact O-N 3.3Å
1077R88.9Confident85.8Confident44 Ų4439.7 Ų39.717%0.16622%0.22CC..Hα-helixtrans-60.3-41.4169.9-67.9159.9179.3-162.83.8111.8L1065 E1073 L1074 V1080 I1081 L1150L1065-R1077 PolarHBondContact O-NH1 3.29Å; E1073-R1077 WeakPolarHBondContact O-CB 3.39Å; E1073-R1077 VanDerWaalsContact O-CD 3.26Å; E1073-R1077 WeakPolarHBondContact O-CD 3.48Å; E1073-R1077 WeakPolarHBondContact O-CG 3.31Å; E1073-R1077 PolarHBondContact O-N 3.44Å; E1073-R1077 IonicContact OE1-CZ 2.86Å; E1073-R1077 VanDerWaalsContact OE1-CZ 3.27Å; E1073-R1077 IonicContact OE1-NE 2.65Å; E1073-R1077 PolarHBondContact OE1-NE 3.06Å; E1073-R1077 IonicContact OE1-NH2 3.92Å; E1073-R1077 PolarHBondContact OE1-NH2 3.15Å; E1073-R1077 IonicContact OE2-NH2 3.27Å; L1074-R1077 PolarHBondContact O-N 3.25Å; R1077-V1080 PolarHBondContact O-N 2.87Å; R1077-I1081 VanDerWaalsContact O-CG1 3.29Å; R1077-I1081 WeakPolarHBondContact O-CG1 3.5Å; R1077-I1081 PolarHBondContact O-N 2.85Å; R1077-L1150 HydrophobicContact CG-CD2 4.38Å
1078E88.5Confident84.3Confident21 Ų2143.1 Ų43.110%0.09823%0.233CC..Hα-helixtrans-66.5-40.2173.6-67.1-62.9163.800112.5L1074 I1075 E1076 V1080 I1081 C1082 P1105 L1106L1074-E1078 PolarHBondContact O-N 3.13Å; L1074-E1078 VanDerWaalsContact O-N 3.09Å; I1075-E1078 PolarHBondContact O-N 3.28Å; E1076-E1078 VanDerWaalsContact C-N 3.34Å; E1076-E1078 PolarHBondContact O-N 2.85Å; E1078-V1080 VanDerWaalsContact C-N 3.3Å; E1078-V1080 PolarHBondContact O-N 3.37Å; E1078-I1081 WeakPolarHBondContact O-CB 3.23Å; E1078-I1081 PolarHBondContact O-N 2.9Å; E1078-I1081 VanDerWaalsContact O-N 3.13Å; E1078-C1082 WeakPolarHBondContact O-CB 3.5Å; E1078-C1082 PolarHBondContact O-N 3.05Å; E1078-C1082 PolarHBondContact O-SG 2.92Å; E1078-P1105 WeakPolarHBondContact OE1-CA 3.22Å; E1078-L1106 WeakPolarHBondContact OE1-CB 3.23Å; E1078-L1106 PolarHBondContact OE1-N 3.25Å
1079R86.9Confident82Confident59 Ų5944.5 Ų44.522%0.22324%0.237CC..Hα-helixtrans-56.6-44.7174.4-74.9167.4-179.6157.97.5111.2I1075 E1076 C1082 Q1083 F1103 N1234I1075-R1079 WeakPolarHBondContact O-CG 3.38Å; I1075-R1079 PolarHBondContact O-N 3.39Å; E1076-R1079 WeakPolarHBondContact O-CB 3.42Å; E1076-R1079 PolarHBondContact O-N 3.15Å; E1076-R1079 WeakPolarHBondContact OE2-CD 3.37Å; E1076-R1079 IonicContact OE2-CZ 3.18Å; E1076-R1079 IonicContact OE2-NE 3.72Å; E1076-R1079 IonicContact OE2-NH1 2.73Å; E1076-R1079 PolarHBondContact OE2-NH1 3.23Å; R1079-C1082 WeakPolarHBondContact O-CB 3.02Å; R1079-C1082 PolarHBondContact O-N 2.8Å; R1079-Q1083 WeakPolarHBondContact O-CG 3.36Å; R1079-Q1083 PolarHBondContact O-N 2.83Å; R1079-F1103 HydrophobicContact CB-CD1 4.34Å; R1079-F1103 HydrophobicContact CB-CE1 4.21Å; R1079-F1103 HydrophobicContact CG-CB 4.45Å; R1079-F1103 HydrophobicContact CG-CD1 3.54Å; R1079-F1103 HydrophobicContact CG-CD2 3.83Å; R1079-F1103 HydrophobicContact CG-CE1 3.6Å; R1079-F1103 HydrophobicContact CG-CE2 3.88Å; R1079-F1103 HydrophobicContact CG-CG 3.67Å; R1079-F1103 HydrophobicContact CG-CZ 3.78Å; R1079-N1234 PolarHBondContact NH2-OD1 2.78Å
1080V87.9Confident79.6Confident42 Ų4248.6 Ų48.626%0.25526%0.264SS..Hα-helixtrans-64.3-42.2174.9173.20000111.7E1076 R1077 E1078 C1082 Q1083 I1084 I1153E1076-V1080 WeakPolarHBondContact O-CG2 3.5Å; E1076-V1080 PolarHBondContact O-N 3.3Å; R1077-V1080 PolarHBondContact O-N 2.87Å; E1078-V1080 VanDerWaalsContact C-N 3.3Å; E1078-V1080 PolarHBondContact O-N 3.37Å; V1080-C1082 VanDerWaalsContact C-N 3.35Å; V1080-C1082 PolarHBondContact O-N 2.84Å; V1080-Q1083 PolarHBondContact O-N 2.91Å; V1080-I1084 HydrophobicContact CG1-CD1 3.6Å; V1080-I1084 HydrophobicContact CG1-CG1 4.31Å; V1080-I1084 WeakPolarHBondContact O-CG1 3.16Å; V1080-I1084 PolarHBondContact O-N 3.43Å; V1080-I1153 HydrophobicContact CG1-CG2 3.62Å
1081I86.3Confident77Confident9 Ų955.1 Ų55.15%0.04629%0.288CS..Hα-helixtrans-58.1-46172.8-71.2162.9000111R1077 E1078 T1085 T1149 I1153 I1161 I1165R1077-I1081 VanDerWaalsContact O-CG1 3.29Å; R1077-I1081 WeakPolarHBondContact O-CG1 3.5Å; R1077-I1081 PolarHBondContact O-N 2.85Å; E1078-I1081 WeakPolarHBondContact O-CB 3.23Å; E1078-I1081 PolarHBondContact O-N 2.9Å; E1078-I1081 VanDerWaalsContact O-N 3.13Å; I1081-T1085 HydrophobicContact CG2-CG2 4.31Å; I1081-T1085 VanDerWaalsContact O-CB 3.29Å; I1081-T1085 WeakPolarHBondContact O-CB 3.47Å; I1081-T1085 VanDerWaalsContact O-CG2 3.29Å; I1081-T1085 WeakPolarHBondContact O-CG2 3.34Å; I1081-T1085 PolarHBondContact O-N 2.65Å; I1081-T1085 PolarHBondContact O-OG1 3.19Å; I1081-T1149 HydrophobicContact CD1-CG2 3.59Å; I1081-T1149 HydrophobicContact CG1-CG2 4Å; I1081-I1153 HydrophobicContact CD1-CD1 4.15Å; I1081-I1153 HydrophobicContact CG1-CD1 3.69Å; I1081-I1153 HydrophobicContact CG1-CG1 4.17Å; I1081-I1161 HydrophobicContact CG2-CG2 4.01Å; I1081-I1165 HydrophobicContact CG2-CD1 4.12Å
1082C82.7Confident74.5Confident18 Ų1860.5 Ų60.512%0.12231%0.313CS..Hα-helixtrans-60.7-44.6177.9-67.50000111.9E1078 R1079 V1080 G1086 Y1088 F1103E1078-C1082 WeakPolarHBondContact O-CB 3.5Å; E1078-C1082 PolarHBondContact O-N 3.05Å; E1078-C1082 PolarHBondContact O-SG 2.92Å; R1079-C1082 WeakPolarHBondContact O-CB 3.02Å; R1079-C1082 PolarHBondContact O-N 2.8Å; V1080-C1082 VanDerWaalsContact C-N 3.35Å; V1080-C1082 PolarHBondContact O-N 2.84Å; C1082-G1086 WeakPolarHBondContact O-CA 3.41Å; C1082-G1086 PolarHBondContact O-N 3.01Å; C1082-Y1088 HydrophobicContact CB-CD2 4.32Å; C1082-Y1088 WeakPolarHBondContact SG-CD2 3.35Å; C1082-F1103 HydrophobicContact CB-CE1 3.94Å
1083Q84.1Confident71.9Confident142 Ų14261 Ų6166%0.66432%0.315SS*.Hα-helixtrans-63.6-51178.6-70.9164.926.500112.1R1079 V1080R1079-Q1083 WeakPolarHBondContact O-CG 3.36Å; R1079-Q1083 PolarHBondContact O-N 2.83Å; V1080-Q1083 PolarHBondContact O-N 2.91Å
1084I86Confident69Low45 Ų4563.2 Ų63.223%0.23133%0.328CS..Hα-helixtrans-66.1-46.2-178.5-65.9168.9000110.9V1080 I1153 E1156 A1158 I1161V1080-I1084 HydrophobicContact CG1-CD1 3.6Å; V1080-I1084 HydrophobicContact CG1-CG1 4.31Å; V1080-I1084 WeakPolarHBondContact O-CG1 3.16Å; V1080-I1084 PolarHBondContact O-N 3.43Å; I1084-I1153 HydrophobicContact CD1-CB 4.4Å; I1084-I1153 HydrophobicContact CD1-CG1 4.38Å; I1084-I1153 HydrophobicContact CD1-CG2 4.08Å; I1084-E1156 WeakPolarHBondContact CG2-O 3.34Å; I1084-A1158 HydrophobicContact CG2-CB 3.86Å; I1084-A1158 VanDerWaalsContact O-CB 3.27Å; I1084-A1158 WeakPolarHBondContact O-CB 3.13Å; I1084-I1161 HydrophobicContact CB-CD1 4.32Å; I1084-I1161 HydrophobicContact CD1-CD1 4.37Å; I1084-I1161 HydrophobicContact CG2-CD1 3.82Å
1085T81.9Confident66.2Low7 Ų765.6 Ų65.64%0.04334%0.337CS..Hα-helixtrans-85.5-26.8-170.764.70000114.3I1081 L1087 I1161 K1162I1081-T1085 HydrophobicContact CG2-CG2 4.31Å; I1081-T1085 VanDerWaalsContact O-CB 3.29Å; I1081-T1085 WeakPolarHBondContact O-CB 3.47Å; I1081-T1085 VanDerWaalsContact O-CG2 3.29Å; I1081-T1085 WeakPolarHBondContact O-CG2 3.34Å; I1081-T1085 PolarHBondContact O-N 2.65Å; I1081-T1085 PolarHBondContact O-OG1 3.19Å; T1085-L1087 HydrophobicContact CG2-CD1 4.19Å; T1085-L1087 PolarHBondContact O-N 3.13Å; T1085-L1087 WeakPolarHBondContact OG1-CB 3.44Å; T1085-L1087 WeakPolarHBondContact OG1-CG 3.3Å; T1085-L1087 PolarHBondContact OG1-N 3.16Å; T1085-L1087 VanDerWaalsContact OG1-N 3.15Å; T1085-I1161 HydrophobicContact CG2-CB 3.69Å; T1085-I1161 HydrophobicContact CG2-CD1 4.12Å; T1085-I1161 HydrophobicContact CG2-CG2 3.46Å; T1085-I1161 VanDerWaalsContact CG2-CG2 3.46Å; T1085-K1162 HydrophobicContact CG2-CG 4.45Å; T1085-K1162 WeakPolarHBondContact O-CE 3.41Å; T1085-K1162 PolarHBondContact O-NZ 3.17Å
1086G71.8Confident63.4Low53 Ų5373.2 Ų73.255%0.54637%0.372SS..  trans61.318.1-166.900000114C1082 Y1088C1082-G1086 WeakPolarHBondContact O-CA 3.41Å; C1082-G1086 PolarHBondContact O-N 3.01Å; G1086-Y1088 PolarHBondContact O-N 3.47Å
1087L64.2Low60.6Low53 Ų5377.3 Ų77.328%0.27740%0.397SS..  trans-63.5-24.1-177.3-85.4170000113.5T1085 K1162 I1165 W1319T1085-L1087 HydrophobicContact CG2-CD1 4.19Å; T1085-L1087 PolarHBondContact O-N 3.13Å; T1085-L1087 WeakPolarHBondContact OG1-CB 3.44Å; T1085-L1087 WeakPolarHBondContact OG1-CG 3.3Å; T1085-L1087 PolarHBondContact OG1-N 3.16Å; T1085-L1087 VanDerWaalsContact OG1-N 3.15Å; L1087-K1162 HydrophobicContact CD1-CG 3.94Å; L1087-K1162 HydrophobicContact CD2-CD 4.45Å; L1087-K1162 HydrophobicContact CD2-CG 4.09Å; L1087-K1162 HydrophobicContact CG-CG 4.03Å; L1087-I1165 HydrophobicContact CD1-CD1 3.92Å; L1087-W1319 HydrophobicContact CD2-CH2 4.39Å
1088Y55.3Low58.1Low75 Ų7578.8 Ų78.829%0.29441%0.411SS..SBendtrans-104.286.3176.9-69.8-91.1000110.2C1082 G1086 K1109C1082-Y1088 HydrophobicContact CB-CD2 4.32Å; C1082-Y1088 WeakPolarHBondContact SG-CD2 3.35Å; G1086-Y1088 PolarHBondContact O-N 3.47Å; Y1088-K1109 PolarHBondContact OH-NZ 3.03Å
1089S36.6Very low55.4Low64 Ų6485.2 Ų85.245%0.44845%0.446SS..  trans-63.2142.1165.8-171.30000109.7K1091 Q1092S1089-K1091 PolarHBondContact O-N 3.5Å; S1089-Q1092 PolarHBondContact O-N 3.49Å
1090P38.6Very low53.2Low95 Ų9587.8 Ų87.862%0.61746%0.464SS*.THydrogen-bonded Turntrans-64.626.8177.8-19.230.1000116.3Y1101P1090-Y1101 HydrophobicContact CB-CE1 3.81Å; P1090-Y1101 HydrophobicContact CG-CE1 3.84Å; P1090-Y1101 WeakPolarHBondContact CG-OH 3.38Å
1091K37.1Very low51.5Low171 Ų17191.8 Ų91.874%0.74348%0.476SS*.THydrogen-bonded Turntrans-125.9-12-174.4-65.7-176175.3-1770113.8S1089S1089-K1091 PolarHBondContact O-N 3.5Å
1092Q38Very low50.4Low126 Ų12692.7 Ų92.759%0.58948%0.48SS*.SBendtrans-106.570.2177.5-77.2-173.8-3200110.9S1089S1089-Q1092 PolarHBondContact O-N 3.49Å
1093L35Very low50.1Low88 Ų8893.8 Ų93.846%0.46148%0.483SS..  trans171.196.4151.9-95171.5000106.4Y1095 M1102 Y1311L1093-Y1095 PolarHBondContact O-N 3.33Å; L1093-M1102 HydrophobicContact CD1-CB 4.13Å; L1093-Y1311 HydrophobicContact CD2-CD1 4.29Å; L1093-Y1311 HydrophobicContact CD2-CE1 3.62Å
1094I29.8Very low50.3Low121 Ų12187.8 Ų87.862%0.62146%0.455SS*.  trans-82.575.6178.2-53.3179.3000108.9Q1096I1094-Q1096 HydrophobicContact CG2-CG 4.26Å; I1094-Q1096 PolarHBondContact O-N 2.92Å
1095Y32.9Very low50.5Low59 Ų5985.8 Ų85.823%0.23145%0.445CS..  trans-70118.6155.3-105.5-72.1000108L1093 M1102 R1307 Y1311L1093-Y1095 PolarHBondContact O-N 3.33Å; Y1095-M1102 HydrophobicContact CD2-SD 4.16Å; Y1095-M1102 HydrophobicContact CE2-SD 3.55Å; Y1095-M1102 VanDerWaalsContact CE2-SD 3.55Å; Y1095-R1307 PolarHBondContact OH-NH1 2.89Å; Y1095-Y1311 WeakPolarHBondContact CD2-OH 3.35Å; Y1095-Y1311 WeakPolarHBondContact CE2-OH 3.35Å
1096Q29.9Very low50.9Low160 Ų16086.3 Ų86.375%0.74845%0.448SS*.THydrogen-bonded Turntrans-76.6125.9170.8-66-176.2-9.100108.3I1094I1094-Q1096 HydrophobicContact CG2-CG 4.26Å; I1094-Q1096 PolarHBondContact O-N 2.92Å
1097N30.4Very low51.9Low171 Ų17184 Ų8491%0.91442%0.422SS*.THydrogen-bonded Turntrans82.37.3176.8-70.51.6000120.6
1098T35.9Very low53.4Low76 Ų7681.5 Ų81.547%0.46641%0.41SS..  trans-134.2147160.250.30000111.6D1100T1098-D1100 VanDerWaalsContact C-N 3.27Å; T1098-D1100 WeakPolarHBondContact CB-OD2 3.46Å; T1098-D1100 PolarHBondContact O-N 3Å
1099N31.7Very low55.1Low155 Ų15580.6 Ų80.683%0.82941%0.407SS*.  trans-92.316-178.2-80.5-37.6000112.4
1100D42Very low57.8Low113 Ų11379 Ų7960%0.60439%0.392SS*.  trans-97.4124.2-157.4-55.7-44.9000111.6T1098 M1102T1098-D1100 VanDerWaalsContact C-N 3.27Å; T1098-D1100 WeakPolarHBondContact CB-OD2 3.46Å; T1098-D1100 PolarHBondContact O-N 3Å; D1100-M1102 PolarHBondContact O-N 3.38Å
1101Y52Low60.5Low126 Ų12674.5 Ų74.549%0.49436%0.363SS..  trans-75.3108.7-177.3-58-99.6000109.4P1090 F1103P1090-Y1101 HydrophobicContact CB-CE1 3.81Å; P1090-Y1101 HydrophobicContact CG-CE1 3.84Å; P1090-Y1101 WeakPolarHBondContact CG-OH 3.38Å; Y1101-F1103 WeakPolarHBondContact O-CD2 3.46Å; Y1101-F1103 VanDerWaalsContact O-CE2 3.28Å; Y1101-F1103 WeakPolarHBondContact O-CE2 3.45Å; Y1101-F1103 PolarHBondContact O-N 2.87Å
1102M62.2Low63.3Low28 Ų2866.3 Ų66.314%0.13833%0.327CS..  trans-68.9113.2175.6-67.4-171.875.900111.3L1093 Y1095 D1100 I1104 E1237L1093-M1102 HydrophobicContact CD1-CB 4.13Å; Y1095-M1102 HydrophobicContact CD2-SD 4.16Å; Y1095-M1102 HydrophobicContact CE2-SD 3.55Å; Y1095-M1102 VanDerWaalsContact CE2-SD 3.55Å; D1100-M1102 PolarHBondContact O-N 3.38Å; M1102-I1104 HydrophobicContact CB-CD1 4.34Å; M1102-I1104 HydrophobicContact CB-CG1 4.41Å; M1102-I1104 HydrophobicContact CE-CD1 4.36Å; M1102-I1104 PolarHBondContact O-N 2.88Å; M1102-E1237 VanDerWaalsContact CA-OE2 3.29Å; M1102-E1237 WeakPolarHBondContact CA-OE2 3.42Å; M1102-E1237 HydrophobicContact CE-CB 4.14Å; M1102-E1237 WeakPolarHBondContact CE-O 3.3Å
1103F77.5Confident66Low42 Ų4262.4 Ų62.418%0.18431%0.309CS..  trans-93.678-178.4-70.7-79000110.9I1075 R1079 C1082 Y1101 P1105 E1237I1075-F1103 WeakPolarHBondContact CG1-O 3.46Å; I1075-F1103 HydrophobicContact CG2-CB 3.88Å; R1079-F1103 HydrophobicContact CB-CD1 4.34Å; R1079-F1103 HydrophobicContact CB-CE1 4.21Å; R1079-F1103 HydrophobicContact CG-CB 4.45Å; R1079-F1103 HydrophobicContact CG-CD1 3.54Å; R1079-F1103 HydrophobicContact CG-CD2 3.83Å; R1079-F1103 HydrophobicContact CG-CE1 3.6Å; R1079-F1103 HydrophobicContact CG-CE2 3.88Å; R1079-F1103 HydrophobicContact CG-CG 3.67Å; R1079-F1103 HydrophobicContact CG-CZ 3.78Å; C1082-F1103 HydrophobicContact CB-CE1 3.94Å; Y1101-F1103 WeakPolarHBondContact O-CD2 3.46Å; Y1101-F1103 VanDerWaalsContact O-CE2 3.28Å; Y1101-F1103 WeakPolarHBondContact O-CE2 3.45Å; Y1101-F1103 PolarHBondContact O-N 2.87Å; F1103-P1105 WeakPolarHBondContact O-CD 3.31Å; F1103-E1237 PolarHBondContact N-OE2 2.8Å
1104I87.5Confident68.8Low15 Ų1559 Ų598%0.07729%0.291CS..  trans-87.4121.6-179-59.5157.8000110.4M1102 L1106 I1108 K1109 Y1241M1102-I1104 HydrophobicContact CB-CD1 4.34Å; M1102-I1104 HydrophobicContact CB-CG1 4.41Å; M1102-I1104 HydrophobicContact CE-CD1 4.36Å; M1102-I1104 PolarHBondContact O-N 2.88Å; I1104-L1106 PolarHBondContact O-N 3Å; I1104-I1108 HydrophobicContact CG2-CB 4.11Å; I1104-I1108 HydrophobicContact CG2-CG2 3.94Å; I1104-K1109 HydrophobicContact CG2-CB 4.19Å; I1104-Y1241 HydrophobicContact CD1-CD1 4.01Å; I1104-Y1241 HydrophobicContact CD1-CD2 3.53Å; I1104-Y1241 HydrophobicContact CD1-CE1 4.39Å; I1104-Y1241 HydrophobicContact CD1-CE2 3.95Å; I1104-Y1241 HydrophobicContact CD1-CG 3.55Å; I1104-Y1241 HydrophobicContact CG1-CD1 4.5Å; I1104-Y1241 HydrophobicContact CG1-CG 4.33Å; I1104-Y1241 HydrophobicContact CG2-CD1 3.99Å; I1104-Y1241 HydrophobicContact CG2-CE1 4.01Å
1105P90.9Very high72Confident3 Ų353.2 Ų53.22%0.01926%0.261CS..  trans-47.7133.4174.5-31.836.7000114.6L1074 I1075 E1078 F1103 F1107 I1108 K1109 I1238L1074-P1105 HydrophobicContact CB-CG 4.2Å; I1075-P1105 HydrophobicContact CG1-CG 4.46Å; E1078-P1105 WeakPolarHBondContact OE1-CA 3.22Å; F1103-P1105 WeakPolarHBondContact O-CD 3.31Å; P1105-F1107 PolarHBondContact O-N 3.29Å; P1105-F1107 VanDerWaalsContact O-N 3.12Å; P1105-I1108 HydrophobicContact CB-CB 4.49Å; P1105-I1108 HydrophobicContact CB-CD1 4.12Å; P1105-I1108 HydrophobicContact CB-CG1 4.16Å; P1105-I1108 HydrophobicContact CG-CD1 4.03Å; P1105-I1108 WeakPolarHBondContact O-CA 3.27Å; P1105-I1108 WeakPolarHBondContact O-CB 3.44Å; P1105-I1108 PolarHBondContact O-N 3.13Å; P1105-K1109 PolarHBondContact O-N 3.41Å; P1105-I1238 HydrophobicContact CG-CD1 4.11Å
1106L89.8Confident74.9Confident19 Ų1952.3 Ų52.310%0.09926%0.26CS..Hα-helixtrans-53-37.8-177.4177.966.7000112.5E1078 I1104 K1110 V1145 I1165 V1168E1078-L1106 WeakPolarHBondContact OE1-CB 3.23Å; E1078-L1106 PolarHBondContact OE1-N 3.25Å; I1104-L1106 PolarHBondContact O-N 3Å; L1106-K1110 HydrophobicContact CD1-CG 3.82Å; L1106-K1110 HydrophobicContact CG-CG 4.26Å; L1106-K1110 VanDerWaalsContact O-CB 3.24Å; L1106-K1110 WeakPolarHBondContact O-CB 3.21Å; L1106-K1110 VanDerWaalsContact O-CG 3.27Å; L1106-K1110 WeakPolarHBondContact O-CG 3.37Å; L1106-K1110 PolarHBondContact O-N 3.29Å; L1106-V1145 HydrophobicContact CD2-CG1 4.37Å; L1106-I1165 HydrophobicContact CD1-CG2 4.04Å; L1106-I1165 HydrophobicContact CD2-CG1 3.87Å; L1106-I1165 HydrophobicContact CD2-CG2 4.43Å; L1106-V1168 HydrophobicContact CD2-CG2 4.46Å
1107F93.2Very high77.9Confident4 Ų451.4 Ų51.42%0.01825%0.254CS..Hα-helixtrans-57.9-52.3173.8171.4-95.7000112L1066 F1067 P1105 C1111 F1142 V1184 F1185 F1188L1066-F1107 HydrophobicContact CD1-CB 4.23Å; L1066-F1107 HydrophobicContact CD2-CB 4.06Å; L1066-F1107 HydrophobicContact CD2-CD2 3.96Å; L1066-F1107 HydrophobicContact CD2-CG 4.1Å; F1067-F1107 HydrophobicContact CE1-CZ 4.38Å; F1067-F1107 HydrophobicContact CZ-CE2 4.07Å; F1067-F1107 HydrophobicContact CZ-CZ 4.37Å; P1105-F1107 PolarHBondContact O-N 3.29Å; P1105-F1107 VanDerWaalsContact O-N 3.12Å; F1107-C1111 WeakPolarHBondContact O-CB 3.29Å; F1107-C1111 PolarHBondContact O-N 3.38Å; F1107-C1111 PolarHBondContact O-SG 3.34Å; F1107-F1142 HydrophobicContact CB-CD1 4.36Å; F1107-F1142 HydrophobicContact CB-CE1 4.28Å; F1107-F1142 HydrophobicContact CD2-CB 4.29Å; F1107-F1142 AromaticContact CD2-CD1 3.9Å; F1107-F1142 HydrophobicContact CD2-CD1 3.9Å; F1107-F1142 AromaticContact CD2-CD2 3.56Å; F1107-F1142 HydrophobicContact CD2-CD2 3.56Å; F1107-F1142 HydrophobicContact CD2-CE1 4.03Å; F1107-F1142 AromaticContact CD2-CE2 3.68Å; F1107-F1142 HydrophobicContact CD2-CE2 3.68Å; F1107-F1142 AromaticContact CD2-CG 3.66Å; F1107-F1142 HydrophobicContact CD2-CG 3.66Å; F1107-F1142 AromaticContact CD2-CZ 3.92Å; F1107-F1142 HydrophobicContact CD2-CZ 3.92Å; F1107-F1142 AromaticContact CE2-CD2 3.77Å; F1107-F1142 HydrophobicContact CE2-CD2 3.77Å; F1107-F1142 AromaticContact CE2-CE2 3.92Å; F1107-F1142 HydrophobicContact CE2-CE2 3.92Å; F1107-F1142 HydrophobicContact CE2-CG 4.27Å; F1107-V1184 HydrophobicContact CE2-CG1 3.91Å; F1107-V1184 HydrophobicContact CZ-CG1 3.95Å; F1107-F1185 HydrophobicContact CE1-CD2 4.15Å; F1107-F1188 HydrophobicContact CD1-CB 4.19Å; F1107-F1188 HydrophobicContact CD1-CD1 4.03Å; F1107-F1188 AromaticContact CD1-CD2 3.74Å; F1107-F1188 HydrophobicContact CD1-CD2 3.74Å; F1107-F1188 HydrophobicContact CD1-CE1 4.39Å; F1107-F1188 HydrophobicContact CD1-CE2 4.11Å; F1107-F1188 AromaticContact CD1-CG 3.7Å; F1107-F1188 HydrophobicContact CD1-CG 3.7Å; F1107-F1188 HydrophobicContact CD1-CZ 4.43Å; F1107-F1188 HydrophobicContact CE1-CB 3.37Å; F1107-F1188 AromaticContact CE1-CD1 3.84Å; F1107-F1188 HydrophobicContact CE1-CD1 3.84Å; F1107-F1188 AromaticContact CE1-CD2 3.81Å; F1107-F1188 HydrophobicContact CE1-CD2 3.81Å; F1107-F1188 AromaticContact CE1-CG 3.38Å; F1107-F1188 HydrophobicContact CE1-CG 3.38Å; F1107-F1188 HydrophobicContact CZ-CB 3.85Å; F1107-F1188 HydrophobicContact CZ-CG 4.27Å
1108I94.5Very high80.8Confident1 Ų144.6 Ų44.61%0.00522%0.215CC..Hα-helixtrans-61.7-50.6-179.6-62.5179.4000109.2I1104 P1105 K1110 C1111 V1112 F1185 F1188 I1238 Y1241 L1242I1104-I1108 HydrophobicContact CG2-CB 4.11Å; I1104-I1108 HydrophobicContact CG2-CG2 3.94Å; P1105-I1108 HydrophobicContact CB-CB 4.49Å; P1105-I1108 HydrophobicContact CB-CD1 4.12Å; P1105-I1108 HydrophobicContact CB-CG1 4.16Å; P1105-I1108 HydrophobicContact CG-CD1 4.03Å; P1105-I1108 WeakPolarHBondContact O-CA 3.27Å; P1105-I1108 WeakPolarHBondContact O-CB 3.44Å; P1105-I1108 PolarHBondContact O-N 3.13Å; I1108-K1110 PolarHBondContact O-N 3.47Å; I1108-C1111 PolarHBondContact O-N 3.06Å; I1108-V1112 HydrophobicContact CG2-CG2 4.46Å; I1108-V1112 WeakPolarHBondContact O-CB 3.48Å; I1108-V1112 WeakPolarHBondContact O-CG2 3.06Å; I1108-V1112 PolarHBondContact O-N 3.39Å; I1108-F1185 HydrophobicContact CG2-CE2 4.16Å; I1108-F1188 HydrophobicContact CD1-CE1 3.7Å; I1108-F1188 HydrophobicContact CD1-CZ 4.19Å; I1108-F1188 HydrophobicContact CG1-CD1 4.39Å; I1108-F1188 HydrophobicContact CG1-CE1 3.82Å; I1108-F1188 HydrophobicContact CG1-CZ 4.29Å; I1108-I1238 HydrophobicContact CD1-CD1 3.96Å; I1108-I1238 HydrophobicContact CD1-CG1 4.43Å; I1108-I1238 HydrophobicContact CD1-CG2 3.8Å; I1108-Y1241 HydrophobicContact CG2-CD1 4.18Å; I1108-Y1241 HydrophobicContact CG2-CE1 4.1Å; I1108-L1242 HydrophobicContact CG2-CD2 3.98Å
1109K92.4Very high83.4Confident55 Ų5541 Ų4124%0.23919%0.193CC..Hα-helixtrans-55.6-54.1179.8-173.2179.4-176-176.90111.7Y1088 I1104 P1105 C1111 V1112 E1113Y1088-K1109 PolarHBondContact OH-NZ 3.03Å; I1104-K1109 HydrophobicContact CG2-CB 4.19Å; P1105-K1109 PolarHBondContact O-N 3.41Å; K1109-C1111 PolarHBondContact O-N 3.46Å; K1109-V1112 PolarHBondContact O-N 3.47Å; K1109-E1113 WeakPolarHBondContact CE-OE1 3.4Å; K1109-E1113 HydrophobicContact CG-CG 4.37Å; K1109-E1113 WeakPolarHBondContact CG-OE1 3.41Å; K1109-E1113 WeakPolarHBondContact O-CB 3.41Å; K1109-E1113 VanDerWaalsContact O-CG 3.23Å; K1109-E1113 WeakPolarHBondContact O-CG 3.38Å; K1109-E1113 PolarHBondContact O-N 2.95Å
1110K93.3Very high86.2Confident31 Ų3134.7 Ų34.714%0.13516%0.161CC..Hα-helixtrans-63.5-37.8-178.8-75.7-76.8-171.1159.50113.2L1106 I1108 E1114 F1142 V1168 L1170L1106-K1110 HydrophobicContact CD1-CG 3.82Å; L1106-K1110 HydrophobicContact CG-CG 4.26Å; L1106-K1110 VanDerWaalsContact O-CB 3.24Å; L1106-K1110 WeakPolarHBondContact O-CB 3.21Å; L1106-K1110 VanDerWaalsContact O-CG 3.27Å; L1106-K1110 WeakPolarHBondContact O-CG 3.37Å; L1106-K1110 PolarHBondContact O-N 3.29Å; I1108-K1110 PolarHBondContact O-N 3.47Å; K1110-E1114 PolarHBondContact O-N 3.12Å; K1110-F1142 HydrophobicContact CB-CE1 4.47Å; K1110-F1142 HydrophobicContact CB-CZ 4Å; K1110-V1168 HydrophobicContact CB-CG1 4.46Å; K1110-V1168 HydrophobicContact CD-CB 4.46Å; K1110-V1168 HydrophobicContact CD-CG1 4.17Å; K1110-V1168 HydrophobicContact CG-CG1 4.05Å; K1110-V1168 PolarHBondContact NZ-O 2.87Å; K1110-L1170 HydrophobicContact CB-CD1 4.04Å
1111C95.6Very high88.6Confident0 Ų034.1 Ų34.10%016%0.158CC..Hα-helixtrans-66.6-48.1175.7-67.10000111.2F1107 I1108 K1109 E1114 I1115 I1181 F1185F1107-C1111 WeakPolarHBondContact O-CB 3.29Å; F1107-C1111 PolarHBondContact O-N 3.38Å; F1107-C1111 PolarHBondContact O-SG 3.34Å; I1108-C1111 PolarHBondContact O-N 3.06Å; K1109-C1111 PolarHBondContact O-N 3.46Å; C1111-E1114 PolarHBondContact O-N 3.33Å; C1111-I1115 HydrophobicContact CB-CD1 4.49Å; C1111-I1115 WeakPolarHBondContact O-CB 3.28Å; C1111-I1115 WeakPolarHBondContact O-CD1 3.47Å; C1111-I1115 WeakPolarHBondContact O-CG1 3.23Å; C1111-I1115 PolarHBondContact O-N 3.19Å; C1111-I1181 HydrophobicContact CB-CG2 4.19Å; C1111-F1185 HydrophobicContact CB-CD2 3.84Å
1112V95.7Very high90.6Very high0 Ų029.3 Ų29.30%014%0.142CC..Hα-helixtrans-64.4-43.2179.5171.20000111.6I1108 K1109 E1114 I1115 D1116 F1185 Y1241 L1242 H1245I1108-V1112 HydrophobicContact CG2-CG2 4.46Å; I1108-V1112 WeakPolarHBondContact O-CB 3.48Å; I1108-V1112 WeakPolarHBondContact O-CG2 3.06Å; I1108-V1112 PolarHBondContact O-N 3.39Å; K1109-V1112 PolarHBondContact O-N 3.47Å; V1112-E1114 VanDerWaalsContact C-N 3.34Å; V1112-E1114 PolarHBondContact O-N 2.9Å; V1112-I1115 PolarHBondContact O-N 3.22Å; V1112-D1116 WeakPolarHBondContact O-CB 3.36Å; V1112-D1116 PolarHBondContact O-N 3.29Å; V1112-F1185 HydrophobicContact CG2-CE2 4.32Å; V1112-Y1241 HydrophobicContact CB-CE1 3.85Å; V1112-Y1241 HydrophobicContact CG1-CE1 3.85Å; V1112-Y1241 WeakPolarHBondContact CG1-OH 3.39Å; V1112-Y1241 HydrophobicContact CG2-CE1 3.92Å; V1112-L1242 HydrophobicContact CG2-CD2 3.74Å; V1112-H1245 HydrophobicContact CG1-CB 3.95Å
1113E93.8Very high92Very high44 Ų4429.4 Ų29.421%0.20614%0.144CC..Hα-helixtrans-54.7-45.3175.3-77.3174.2170.400112.3K1109 K1117 F1313K1109-E1113 WeakPolarHBondContact CE-OE1 3.4Å; K1109-E1113 HydrophobicContact CG-CG 4.37Å; K1109-E1113 WeakPolarHBondContact CG-OE1 3.41Å; K1109-E1113 WeakPolarHBondContact O-CB 3.41Å; K1109-E1113 VanDerWaalsContact O-CG 3.23Å; K1109-E1113 WeakPolarHBondContact O-CG 3.38Å; K1109-E1113 PolarHBondContact O-N 2.95Å; E1113-K1117 WeakPolarHBondContact O-CB 3.35Å; E1113-K1117 PolarHBondContact O-N 2.78Å; E1113-K1117 VanDerWaalsContact O-N 3.14Å; E1113-F1313 HydrophobicContact CG-CE2 4.23Å; E1113-F1313 HydrophobicContact CG-CZ 3.78Å
1114E94.5Very high92.8Very high16 Ų1627.7 Ų27.78%0.07514%0.138CC..Hα-helixtrans-77.9-32-179.4-168.966.7-167.500112.6K1110 C1111 V1112 K1117 R1118 L1170 S1171 I1181K1110-E1114 PolarHBondContact O-N 3.12Å; C1111-E1114 PolarHBondContact O-N 3.33Å; V1112-E1114 VanDerWaalsContact C-N 3.34Å; V1112-E1114 PolarHBondContact O-N 2.9Å; E1114-K1117 PolarHBondContact O-N 3.21Å; E1114-K1117 IonicContact OE1-NZ 2.65Å; E1114-K1117 WeakPolarHBondContact OE2-CE 3.44Å; E1114-K1117 IonicContact OE2-NZ 2.83Å; E1114-K1117 PolarHBondContact OE2-NZ 3.45Å; E1114-R1118 HydrophobicContact CG-CG 4.29Å; E1114-R1118 VanDerWaalsContact O-CG 3.29Å; E1114-R1118 WeakPolarHBondContact O-CG 3.19Å; E1114-R1118 PolarHBondContact O-N 2.98Å; E1114-R1118 WeakPolarHBondContact OE1-CD 3.36Å; E1114-R1118 IonicContact OE1-CZ 2.69Å; E1114-R1118 IonicContact OE1-NE 3.03Å; E1114-R1118 PolarHBondContact OE1-NE 3.34Å; E1114-R1118 IonicContact OE1-NH2 3.72Å; E1114-L1170 HydrophobicContact CB-CB 4.37Å; E1114-L1170 HydrophobicContact CG-CB 4.14Å; E1114-L1170 WeakPolarHBondContact CG-O 3.48Å; E1114-S1171 WeakPolarHBondContact OE1-CA 3.49Å; E1114-I1181 HydrophobicContact CG-CD1 4.24Å
1115I95.8Very high93.1Very high0 Ų027 Ų270%013%0.134CC..Hα-helixtrans-70.5-43174.7-62.8161000110.9C1111 V1112 K1117 G1119 S1120 V1125 I1178 I1181 T1182 L1249C1111-I1115 HydrophobicContact CB-CD1 4.49Å; C1111-I1115 WeakPolarHBondContact O-CB 3.28Å; C1111-I1115 WeakPolarHBondContact O-CD1 3.47Å; C1111-I1115 WeakPolarHBondContact O-CG1 3.23Å; C1111-I1115 PolarHBondContact O-N 3.19Å; V1112-I1115 PolarHBondContact O-N 3.22Å; I1115-K1117 VanDerWaalsContact C-N 3.29Å; I1115-K1117 PolarHBondContact O-N 3.33Å; I1115-G1119 CarbonylContact O-C 3.59Å; I1115-G1119 WeakPolarHBondContact O-CA 3.45Å; I1115-G1119 PolarHBondContact O-N 3.32Å; I1115-S1120 PolarHBondContact O-N 2.93Å; I1115-V1125 HydrophobicContact CG2-CG2 3.98Å; I1115-I1178 HydrophobicContact CG1-CD1 3.95Å; I1115-I1181 HydrophobicContact CD1-CG2 4.22Å; I1115-I1181 HydrophobicContact CG1-CG2 4.28Å; I1115-T1182 HydrophobicContact CD1-CG2 3.85Å; I1115-T1182 HydrophobicContact CG1-CG2 4.14Å; I1115-L1249 HydrophobicContact CG2-CD1 4.45Å
1116D93.8Very high93.4Very high40 Ų4026.8 Ų26.821%0.21413%0.133CC..Hα-helixtrans-60.5-41.1172.4-82.3-33.5000110.9V1112 S1120 H1245 R1248V1112-D1116 WeakPolarHBondContact O-CB 3.36Å; V1112-D1116 PolarHBondContact O-N 3.29Å; D1116-S1120 WeakPolarHBondContact CA-OG 3.27Å; D1116-S1120 WeakPolarHBondContact O-CB 3.46Å; D1116-S1120 PolarHBondContact O-OG 3.45Å; D1116-H1245 IonicContact OD1-CE1 2.67Å; D1116-H1245 PolarHBondContact OD1-CE1 3.3Å; D1116-H1245 IonicContact OD1-ND1 3.6Å; D1116-H1245 PolarHBondContact OD1-ND1 2.87Å; D1116-H1245 IonicContact OD2-ND1 3.55Å; D1116-R1248 IonicContact OD1-CZ 3.53Å; D1116-R1248 IonicContact OD1-NE 3.12Å; D1116-R1248 PolarHBondContact OD1-NE 3.1Å; D1116-R1248 IonicContact OD1-NH2 2.88Å; D1116-R1248 IonicContact OD2-CZ 3.42Å; D1116-R1248 IonicContact OD2-NE 3.55Å; D1116-R1248 PolarHBondContact OD2-NE 2.83Å; D1116-R1248 VanDerWaalsContact OD2-NE 3.17Å; D1116-R1248 IonicContact OD2-NH2 2.72Å; D1116-R1248 PolarHBondContact OD2-NH2 3.13Å
1117K93.1Very high93.6Very high141 Ų14128.7 Ų28.761%0.61314%0.139SC*.Hα-helixtrans-72.3-34-175.6172.8179.6154.2-149.20115.2E1113 E1114 I1115E1113-K1117 WeakPolarHBondContact O-CB 3.35Å; E1113-K1117 PolarHBondContact O-N 2.78Å; E1113-K1117 VanDerWaalsContact O-N 3.14Å; E1114-K1117 PolarHBondContact O-N 3.21Å; E1114-K1117 IonicContact OE1-NZ 2.65Å; E1114-K1117 WeakPolarHBondContact OE2-CE 3.44Å; E1114-K1117 IonicContact OE2-NZ 2.83Å; E1114-K1117 PolarHBondContact OE2-NZ 3.45Å; I1115-K1117 VanDerWaalsContact C-N 3.29Å; I1115-K1117 PolarHBondContact O-N 3.33Å
1118R92.7Very high93.7Very high27 Ų2728.8 Ų28.810%0.10214%0.14CC..Hα-helixtrans-142.4-2.4-178.767.6159.5168.9128.3-1.5116.7E1114 V1122 L1170 I1175 P1176 I1178 Q1495E1114-R1118 HydrophobicContact CG-CG 4.29Å; E1114-R1118 VanDerWaalsContact O-CG 3.29Å; E1114-R1118 WeakPolarHBondContact O-CG 3.19Å; E1114-R1118 PolarHBondContact O-N 2.98Å; E1114-R1118 WeakPolarHBondContact OE1-CD 3.36Å; E1114-R1118 IonicContact OE1-CZ 2.69Å; E1114-R1118 IonicContact OE1-NE 3.03Å; E1114-R1118 PolarHBondContact OE1-NE 3.34Å; E1114-R1118 IonicContact OE1-NH2 3.72Å; R1118-V1122 WeakPolarHBondContact O-CG2 3.25Å; R1118-L1170 PolarHBondContact NH2-O 3.19Å; R1118-I1175 VanDerWaalsContact CZ-O 3.29Å; R1118-I1175 PolarHBondContact NH1-O 2.9Å; R1118-I1175 PolarHBondContact NH2-O 3.31Å; R1118-P1176 PolarHBondContact NH1-O 2.92Å; R1118-P1176 VanDerWaalsContact NH1-O 3.08Å; R1118-I1178 HydrophobicContact CG-CD1 4.22Å; R1118-Q1495 PolarHBondContact O-NE2 3.18Å
1119G90.6Very high93.6Very high0 Ų029.4 Ų29.40%015%0.145CC..THydrogen-bonded Turntrans-94.2-23.2173.100000113.4I1115 D1121 V1122I1115-G1119 CarbonylContact O-C 3.59Å; I1115-G1119 WeakPolarHBondContact O-CA 3.45Å; I1115-G1119 PolarHBondContact O-N 3.32Å; G1119-D1121 PolarHBondContact O-N 3.35Å; G1119-D1121 VanDerWaalsContact O-N 3.13Å; G1119-V1122 PolarHBondContact O-N 3.42Å
1120S90.7Very high93.5Very high24 Ų2427 Ų2717%0.16814%0.136CC..THydrogen-bonded Turntrans-52-35.7-178.2-66.60000115I1115 D1116 N1252 N1256I1115-S1120 PolarHBondContact O-N 2.93Å; D1116-S1120 WeakPolarHBondContact CA-OG 3.27Å; D1116-S1120 WeakPolarHBondContact O-CB 3.46Å; D1116-S1120 PolarHBondContact O-OG 3.45Å; S1120-N1252 PolarHBondContact O-ND2 3.21Å; S1120-N1256 WeakPolarHBondContact O-CB 3.42Å; S1120-N1256 PolarHBondContact O-ND2 2.67Å
1121D92.1Very high93.2Very high101 Ų10126.1 Ų26.154%0.5413%0.134SC..THydrogen-bonded Turntrans-98.3-0.3178.8-64.2-48.9000113.7G1119 V1123 N1252 V1255G1119-D1121 PolarHBondContact O-N 3.35Å; G1119-D1121 VanDerWaalsContact O-N 3.13Å; D1121-V1123 PolarHBondContact O-N 2.86Å; D1121-N1252 PolarHBondContact OD1-ND2 3.23Å; D1121-V1255 HydrophobicContact CB-CG1 3.87Å
1122V92.5Very high92.9Very high25 Ų2526.4 Ų26.415%0.15214%0.136CC..SBendtrans-87.2117.9-172.8176.10000111.2R1118 G1119 G1124 V1125 I1178 N1256R1118-V1122 WeakPolarHBondContact O-CG2 3.25Å; G1119-V1122 PolarHBondContact O-N 3.42Å; V1122-G1124 PolarHBondContact O-N 3.28Å; V1122-G1124 VanDerWaalsContact O-N 3.11Å; V1122-V1125 PolarHBondContact O-N 2.97Å; V1122-V1125 VanDerWaalsContact O-N 3.14Å; V1122-I1178 HydrophobicContact CB-CG2 4.21Å; V1122-I1178 HydrophobicContact CG1-CG2 3.84Å; V1122-I1178 HydrophobicContact CG2-CG2 4.16Å; V1122-N1256 WeakPolarHBondContact O-CB 3.5Å
1123V93Very high92.5Very high30 Ų3030 Ų3018%0.18215%0.149CC..THydrogen-bonded Turntrans-58.4112.9-177.61790000112D1121 L1128 N1256 K1257 T1499D1121-V1123 PolarHBondContact O-N 2.86Å; V1123-L1128 WeakPolarHBondContact O-CD1 3.4Å; V1123-N1256 CarbonylContact C-O 3.51Å; V1123-N1256 VanDerWaalsContact CA-O 3.3Å; V1123-N1256 WeakPolarHBondContact CA-O 3.28Å; V1123-K1257 HydrophobicContact CG1-CB 4.33Å; V1123-K1257 HydrophobicContact CG1-CG 3.99Å; V1123-K1257 HydrophobicContact CG2-CG 4.49Å; V1123-T1499 HydrophobicContact CB-CG2 4.15Å; V1123-T1499 HydrophobicContact CG1-CG2 4.42Å; V1123-T1499 HydrophobicContact CG2-CG2 4Å
1124G92.6Very high92.2Very high5 Ų528.4 Ų28.45%0.05214%0.142CC..THydrogen-bonded Turntrans84.129.2179.600000114.8V1122 R1127 L1128 N1256V1122-G1124 PolarHBondContact O-N 3.28Å; V1122-G1124 VanDerWaalsContact O-N 3.11Å; G1124-R1127 PolarHBondContact O-N 2.68Å; G1124-R1127 VanDerWaalsContact O-N 3.13Å; G1124-L1128 PolarHBondContact O-N 3.42Å; G1124-N1256 PolarHBondContact N-O 2.91Å
1125V95.4Very high92Very high0 Ų028.1 Ų28.10%014%0.14CC..THydrogen-bonded Turntrans-47.6139.9164.766.40000111I1115 V1122 R1127 T1182 L1249 N1256 M1258I1115-V1125 HydrophobicContact CG2-CG2 3.98Å; V1122-V1125 PolarHBondContact O-N 2.97Å; V1122-V1125 VanDerWaalsContact O-N 3.14Å; V1125-R1127 PolarHBondContact O-N 2.74Å; V1125-T1182 HydrophobicContact CG2-CG2 3.87Å; V1125-L1249 HydrophobicContact CG1-CD1 4.24Å; V1125-L1249 HydrophobicContact CG1-CD2 4.49Å; V1125-L1249 HydrophobicContact CG2-CD1 4.45Å; V1125-N1256 HydrophobicContact CG1-CB 4.4Å; V1125-M1258 HydrophobicContact CG1-CG 3.92Å
1126Y96Very high91.7Very high0 Ų031 Ų310%016%0.156CC..THydrogen-bonded Turntrans59.6-23.6-169.1-66.6-68.2000118T1182 F1185 K1186 H1245 F1246 L1249 L1263 L1267Y1126-T1182 HydrophobicContact CD1-CG2 3.93Å; Y1126-T1182 HydrophobicContact CE1-CG2 3.89Å; Y1126-T1182 HydrophobicContact CG-CG2 4.3Å; Y1126-F1185 AromaticContact CE1-CD1 3.72Å; Y1126-F1185 HydrophobicContact CE1-CD1 3.72Å; Y1126-F1185 HydrophobicContact CE1-CE1 4.35Å; Y1126-F1185 HydrophobicContact CE1-CG 4.48Å; Y1126-K1186 HydrophobicContact CD1-CG 4.35Å; Y1126-K1186 PolarHBondContact O-NZ 2.89Å; Y1126-H1245 AromaticContact CE2-NE2 3.7Å; Y1126-H1245 AromaticContact CZ-NE2 3.87Å; Y1126-H1245 PolarHBondContact OH-NE2 2.79Å; Y1126-H1245 VanDerWaalsContact OH-NE2 3.13Å; Y1126-F1246 HydrophobicContact CE2-CD1 4.24Å; Y1126-F1246 AromaticContact CE2-CE1 3.96Å; Y1126-F1246 HydrophobicContact CE2-CE1 3.96Å; Y1126-F1246 AromaticContact CZ-CE1 4Å; Y1126-L1249 HydrophobicContact CD2-CD1 3.9Å; Y1126-L1249 HydrophobicContact CE2-CD1 3.54Å; Y1126-L1263 HydrophobicContact CD2-CD1 3.86Å; Y1126-L1263 HydrophobicContact CG-CD1 4.35Å; Y1126-L1267 HydrophobicContact CD1-CD2 3.95Å; Y1126-L1267 HydrophobicContact CE1-CD2 4.46Å; Y1126-L1267 HydrophobicContact CG-CD2 4.16Å
1127R94.5Very high91.5Very high58 Ų5832.8 Ų32.822%0.21916%0.163CC..THydrogen-bonded Turntrans-86.2-39.5-179.1-179.4-175.4-168.7148.716.3114V930 G1124 V1125 M1258 N1262V930-R1127 VanDerWaalsContact CG1-NH2 3.34Å; G1124-R1127 PolarHBondContact O-N 2.68Å; G1124-R1127 VanDerWaalsContact O-N 3.13Å; V1125-R1127 PolarHBondContact O-N 2.74Å; R1127-M1258 HydrophobicContact CB-CE 3.77Å; R1127-M1258 HydrophobicContact CB-SD 3.7Å; R1127-M1258 HydrophobicContact CG-SD 4.4Å; R1127-N1262 VanDerWaalsContact NH1-CG 3.33Å; R1127-N1262 PolarHBondContact NH1-OD1 3.23Å; R1127-N1262 PolarHBondContact NH2-OD1 3.3Å; R1127-N1262 VanDerWaalsContact NH2-OD1 3.09Å
1128L94.5Very high91.5Very high6 Ų626.1 Ų26.13%0.03113%0.133CC..SBendtrans-85.9135.8176.6-61.4177.7000110.1R931 K932 V1123 G1124R931-L1128 HydrophobicContact CB-CD2 3.99Å; R931-L1128 WeakPolarHBondContact O-CD2 3.18Å; K932-L1128 CarbonylContact O-C 3.53Å; K932-L1128 WeakPolarHBondContact O-CA 3.27Å; V1123-L1128 WeakPolarHBondContact O-CD1 3.4Å; G1124-L1128 PolarHBondContact O-N 3.42Å
1129A93.6Very high91.4Very high15 Ų1525.3 Ų25.312%0.12413%0.13CC..BIsolated β-bridgetrans-81.5132.1171.700000110.6K932 A933 E951 L952K932-A1129 PolarHBondContact O-N 2.82Å; A933-A1129 HydrophobicContact CB-CB 4.43Å; E951-A1129 WeakPolarHBondContact O-CB 3.43Å; L952-A1129 HydrophobicContact CD2-CB 3.88Å
1130G90.5Very high91.3Very high5 Ų529.1 Ų29.15%0.05215%0.148CC..  trans-80.2174.9167.900000112.4V1132 D1177G1130-V1132 PolarHBondContact O-N 3.45Å; G1130-D1177 WeakPolarHBondContact CA-OD2 3.1Å
1131S87.1Confident91.3Very high12 Ų1228.9 Ų28.98%0.08415%0.145CC..  trans-67.3129.3175.1176.30000111W1133 M1134 K1135 D1177S1131-W1133 PolarHBondContact O-N 3.24Å; S1131-W1133 PolarHBondContact OG-N 2.78Å; S1131-M1134 PolarHBondContact O-N 2.96Å; S1131-K1135 PolarHBondContact O-N 2.7Å; S1131-D1177 PolarHBondContact N-OD2 2.89Å
1132V89.2Confident91.4Very high6 Ų624.1 Ų24.14%0.03612%0.12CC..Hα-helixtrans-61.7-25.1178.5172.80000112V949 E951 S1011 G1130 K1135 L1136V949-V1132 HydrophobicContact CB-CB 4.08Å; V949-V1132 HydrophobicContact CB-CG2 4.32Å; V949-V1132 HydrophobicContact CG1-CB 4.3Å; V949-V1132 HydrophobicContact CG1-CG2 4.13Å; V949-V1132 WeakPolarHBondContact O-CB 3.38Å; V949-V1132 VanDerWaalsContact O-CG2 3.27Å; V949-V1132 WeakPolarHBondContact O-CG2 3.24Å; V949-V1132 PolarHBondContact O-N 2.75Å; E951-V1132 HydrophobicContact CB-CG2 4.41Å; E951-V1132 HydrophobicContact CG-CG2 3.83Å; S1011-V1132 WeakPolarHBondContact OG-CG1 3.05Å; G1130-V1132 PolarHBondContact O-N 3.45Å; V1132-K1135 HydrophobicContact CG2-CD 4.48Å; V1132-K1135 WeakPolarHBondContact O-CB 3.26Å; V1132-K1135 PolarHBondContact O-N 3.13Å; V1132-L1136 PolarHBondContact O-N 2.91Å
1133W86.1Confident91.3Very high74 Ų7423.5 Ų23.528%0.2812%0.115SC..Hα-helixtrans-66.2-41.4172.2-66124000112.8E753 N947 S1131 L1136 Q1137E753-W1133 HydrophobicContact CG-CH2 4.36Å; E753-W1133 WeakPolarHBondContact OE1-CH2 3.45Å; E753-W1133 WeakPolarHBondContact OE2-CZ2 3.19Å; N947-W1133 PolarHBondContact O-NE1 3.17Å; S1131-W1133 PolarHBondContact O-N 3.24Å; S1131-W1133 PolarHBondContact OG-N 2.78Å; W1133-L1136 HydrophobicContact CE3-CD1 4.02Å; W1133-L1136 HydrophobicContact CZ3-CD1 4.17Å; W1133-L1136 PolarHBondContact O-N 2.73Å; W1133-Q1137 PolarHBondContact O-N 2.72Å
1134M88.4Confident91.1Very high12 Ų1229.2 Ų29.26%0.05913%0.134CC..Hα-helixtrans-72.1-37.3176-171.659.757.700111Y746 S1131 L1136 Q1137 V1138 I1175 P1176 D1177 A1180Y746-M1134 HydrophobicContact CE2-CE 4.33Å; S1131-M1134 PolarHBondContact O-N 2.96Å; M1134-L1136 VanDerWaalsContact C-N 3.33Å; M1134-L1136 PolarHBondContact O-N 3.06Å; M1134-Q1137 PolarHBondContact O-N 2.87Å; M1134-Q1137 VanDerWaalsContact O-N 3.16Å; M1134-V1138 PolarHBondContact O-N 2.73Å; M1134-V1138 VanDerWaalsContact O-N 3.11Å; M1134-I1175 HydrophobicContact CG-CG2 4.05Å; M1134-I1175 HydrophobicContact SD-CB 4.24Å; M1134-I1175 HydrophobicContact SD-CG1 4.06Å; M1134-I1175 HydrophobicContact SD-CG2 3.97Å; M1134-P1176 HydrophobicContact CE-CG 4.48Å; M1134-D1177 HydrophobicContact CG-CB 4.41Å; M1134-A1180 HydrophobicContact CB-CB 3.73Å; M1134-A1180 HydrophobicContact CG-CB 3.52Å
1135K90.6Very high91.1Very high9 Ų929.5 Ų29.54%0.03913%0.134CC..Hα-helixtrans-55.2-45.4172.1-170-167.9176.8-152.10111.7E951 S1131 V1132 V1138 R1139 A1183 V1184 D1187E951-K1135 IonicContact OE1-NZ 2.7Å; E951-K1135 PolarHBondContact OE1-NZ 2.79Å; E951-K1135 IonicContact OE2-NZ 2.74Å; E951-K1135 PolarHBondContact OE2-NZ 2.89Å; S1131-K1135 PolarHBondContact O-N 2.7Å; V1132-K1135 HydrophobicContact CG2-CD 4.48Å; V1132-K1135 WeakPolarHBondContact O-CB 3.26Å; V1132-K1135 PolarHBondContact O-N 3.13Å; K1135-V1138 PolarHBondContact O-N 3.14Å; K1135-R1139 PolarHBondContact O-N 2.9Å; K1135-A1183 HydrophobicContact CD-CB 4.17Å; K1135-A1183 HydrophobicContact CG-CB 4.21Å; K1135-V1184 HydrophobicContact CB-CG2 4.2Å; K1135-V1184 HydrophobicContact CG-CG2 3.44Å; K1135-V1184 VanDerWaalsContact CG-CG2 3.44Å; K1135-V1184 WeakPolarHBondContact O-CG2 3.49Å; K1135-D1187 WeakPolarHBondContact CE-OD1 3.22Å; K1135-D1187 WeakPolarHBondContact CE-OD2 3.31Å; K1135-D1187 IonicContact NZ-OD1 3.66Å; K1135-D1187 PolarHBondContact NZ-OD1 2.99Å; K1135-D1187 IonicContact NZ-OD2 2.69Å; K1135-D1187 PolarHBondContact NZ-OD2 2.85Å
1136L89.1Confident90.9Very high61 Ų6130.6 Ų30.632%0.31914%0.141SC..Hα-helixtrans-60.4-43.7173.6-81.1175.5000112.9S1011 V1132 W1133 M1134 V1138 R1139 E1140S1011-L1136 VanDerWaalsContact OG-CD1 3.29Å; S1011-L1136 WeakPolarHBondContact OG-CD1 3.18Å; S1011-L1136 WeakPolarHBondContact OG-CD2 3.48Å; S1011-L1136 VanDerWaalsContact OG-CG 3.23Å; S1011-L1136 WeakPolarHBondContact OG-CG 3.32Å; V1132-L1136 PolarHBondContact O-N 2.91Å; W1133-L1136 HydrophobicContact CE3-CD1 4.02Å; W1133-L1136 HydrophobicContact CZ3-CD1 4.17Å; W1133-L1136 PolarHBondContact O-N 2.73Å; M1134-L1136 VanDerWaalsContact C-N 3.33Å; M1134-L1136 PolarHBondContact O-N 3.06Å; L1136-V1138 VanDerWaalsContact C-N 3.33Å; L1136-V1138 PolarHBondContact O-N 3.34Å; L1136-R1139 PolarHBondContact O-N 3.06Å; L1136-E1140 WeakPolarHBondContact O-CB 3.29Å; L1136-E1140 PolarHBondContact O-N 3.17Å
1137Q90Very high90.6Very high78 Ų7835.6 Ų35.636%0.36416%0.163SC..Hα-helixtrans-62.8-39179.8-67.4179.52500112.3W1133 M1134 L1141W1133-Q1137 PolarHBondContact O-N 2.72Å; M1134-Q1137 PolarHBondContact O-N 2.87Å; M1134-Q1137 VanDerWaalsContact O-N 3.16Å; Q1137-L1141 VanDerWaalsContact O-CB 3.32Å; Q1137-L1141 WeakPolarHBondContact O-CB 3.47Å; Q1137-L1141 PolarHBondContact O-N 2.8Å
1138V91.7Very high90.4Very high0 Ų035.2 Ų35.20%017%0.169CC..Hα-helixtrans-65.6-43174175.10000111.1M1134 K1135 L1136 F1142 I1175 I1181 V1184M1134-V1138 PolarHBondContact O-N 2.73Å; M1134-V1138 VanDerWaalsContact O-N 3.11Å; K1135-V1138 PolarHBondContact O-N 3.14Å; L1136-V1138 VanDerWaalsContact C-N 3.33Å; L1136-V1138 PolarHBondContact O-N 3.34Å; V1138-F1142 HydrophobicContact CG1-CD2 4.18Å; V1138-F1142 HydrophobicContact CG1-CE2 4.3Å; V1138-F1142 WeakPolarHBondContact O-CD2 3.48Å; V1138-F1142 PolarHBondContact O-N 3.04Å; V1138-I1175 HydrophobicContact CG2-CD1 3.77Å; V1138-I1175 HydrophobicContact CG2-CG1 3.87Å; V1138-I1175 HydrophobicContact CG2-CG2 3.82Å; V1138-I1181 HydrophobicContact CG2-CG1 4.33Å; V1138-V1184 HydrophobicContact CB-CG2 3.93Å; V1138-V1184 HydrophobicContact CG1-CB 4.04Å; V1138-V1184 HydrophobicContact CG1-CG1 4.17Å; V1138-V1184 HydrophobicContact CG1-CG2 3.92Å
1139R91.7Very high90.2Very high10 Ų1035.3 Ų35.34%0.03817%0.17CC..Hα-helixtrans-64.1-46.9178-169.9175.3-178.2113.1-5.3112.1S1009 F1067 K1135 L1136 F1142 N1143 V1184 D1187 E1191S1009-R1139 WeakPolarHBondContact O-CD 3.36Å; S1009-R1139 PolarHBondContact O-NE 3.08Å; S1009-R1139 PolarHBondContact O-NH1 3Å; S1009-R1139 VanDerWaalsContact O-NH1 3.16Å; S1009-R1139 PolarHBondContact O-NH2 3.42Å; F1067-R1139 VanDerWaalsContact CD1-NH1 3.25Å; F1067-R1139 HydrophobicContact CD2-CG 4.21Å; F1067-R1139 HydrophobicContact CE2-CG 3.65Å; F1067-R1139 VanDerWaalsContact CG-CZ 3.46Å; F1067-R1139 HydrophobicContact CZ-CG 3.88Å; K1135-R1139 PolarHBondContact O-N 2.9Å; L1136-R1139 PolarHBondContact O-N 3.06Å; R1139-F1142 PolarHBondContact O-N 2.67Å; R1139-N1143 PolarHBondContact O-N 3.38Å; R1139-V1184 HydrophobicContact CB-CG1 4.43Å; R1139-D1187 IonicContact NH1-OD2 2.73Å; R1139-E1191 IonicContact CZ-OE1 2.71Å; R1139-E1191 IonicContact CZ-OE2 2.73Å; R1139-E1191 IonicContact NH1-OE1 3.81Å; R1139-E1191 PolarHBondContact NH1-OE1 3.04Å; R1139-E1191 IonicContact NH1-OE2 3.55Å; R1139-E1191 PolarHBondContact NH1-OE2 2.75Å; R1139-E1191 IonicContact NH2-OE1 3.6Å; R1139-E1191 IonicContact NH2-OE2 3.54Å; R1139-E1191 PolarHBondContact NH2-OE2 3.45Å
1140E88.8Confident90Very high81 Ų8136.8 Ų36.838%0.37918%0.175SC..Hα-helixtrans-66.3-36.8179172.961.9173.900112.4L1136 F1142 N1143 R1144L1136-E1140 WeakPolarHBondContact O-CB 3.29Å; L1136-E1140 PolarHBondContact O-N 3.17Å; E1140-F1142 PolarHBondContact O-N 3Å; E1140-N1143 PolarHBondContact O-N 3.43Å; E1140-R1144 WeakPolarHBondContact O-CB 3.07Å; E1140-R1144 VanDerWaalsContact O-CG 3.3Å; E1140-R1144 WeakPolarHBondContact O-CG 3.47Å; E1140-R1144 PolarHBondContact O-N 3.3Å; E1140-R1144 IonicContact OE1-CZ 2.78Å; E1140-R1144 IonicContact OE1-NE 3.16Å; E1140-R1144 PolarHBondContact OE1-NE 2.77Å; E1140-R1144 IonicContact OE1-NH2 3.77Å; E1140-R1144 PolarHBondContact OE1-NH2 2.48Å
1141L91.1Very high90Very high18 Ų1843 Ų439%0.09420%0.201CC..Hα-helixtrans-54.3-52.7170171.265.4000110.9Q1137 R1144 V1145 L1170 I1175Q1137-L1141 VanDerWaalsContact O-CB 3.32Å; Q1137-L1141 WeakPolarHBondContact O-CB 3.47Å; Q1137-L1141 PolarHBondContact O-N 2.8Å; L1141-R1144 PolarHBondContact O-N 3.12Å; L1141-V1145 HydrophobicContact CD1-CG2 4.26Å; L1141-V1145 WeakPolarHBondContact O-CG2 3.1Å; L1141-V1145 PolarHBondContact O-N 3.47Å; L1141-L1170 HydrophobicContact CD2-CD2 3.72Å; L1141-I1175 HydrophobicContact CD2-CD1 4.41Å
1142F93Very high90.2Very high2 Ų242.8 Ų42.81%0.00920%0.2CC..Hα-helixtrans-69.6-37.2-177.9-84.5-69.4000112.8L1066 F1107 K1110 V1138 R1139 E1140 R1144 V1145 T1146 V1168 L1170L1066-F1142 HydrophobicContact CD2-CB 3.7Å; L1066-F1142 HydrophobicContact CD2-CD1 4.5Å; L1066-F1142 HydrophobicContact CD2-CG 4.35Å; F1107-F1142 HydrophobicContact CB-CD1 4.36Å; F1107-F1142 HydrophobicContact CB-CE1 4.28Å; F1107-F1142 HydrophobicContact CD2-CB 4.29Å; F1107-F1142 AromaticContact CD2-CD1 3.9Å; F1107-F1142 HydrophobicContact CD2-CD1 3.9Å; F1107-F1142 AromaticContact CD2-CD2 3.56Å; F1107-F1142 HydrophobicContact CD2-CD2 3.56Å; F1107-F1142 HydrophobicContact CD2-CE1 4.03Å; F1107-F1142 AromaticContact CD2-CE2 3.68Å; F1107-F1142 HydrophobicContact CD2-CE2 3.68Å; F1107-F1142 AromaticContact CD2-CG 3.66Å; F1107-F1142 HydrophobicContact CD2-CG 3.66Å; F1107-F1142 AromaticContact CD2-CZ 3.92Å; F1107-F1142 HydrophobicContact CD2-CZ 3.92Å; F1107-F1142 AromaticContact CE2-CD2 3.77Å; F1107-F1142 HydrophobicContact CE2-CD2 3.77Å; F1107-F1142 AromaticContact CE2-CE2 3.92Å; F1107-F1142 HydrophobicContact CE2-CE2 3.92Å; F1107-F1142 HydrophobicContact CE2-CG 4.27Å; K1110-F1142 HydrophobicContact CB-CE1 4.47Å; K1110-F1142 HydrophobicContact CB-CZ 4Å; V1138-F1142 HydrophobicContact CG1-CD2 4.18Å; V1138-F1142 HydrophobicContact CG1-CE2 4.3Å; V1138-F1142 WeakPolarHBondContact O-CD2 3.48Å; V1138-F1142 PolarHBondContact O-N 3.04Å; R1139-F1142 PolarHBondContact O-N 2.67Å; E1140-F1142 PolarHBondContact O-N 3Å; F1142-R1144 VanDerWaalsContact C-N 3.34Å; F1142-R1144 PolarHBondContact O-N 2.94Å; F1142-V1145 PolarHBondContact O-N 3.12Å; F1142-T1146 WeakPolarHBondContact O-CB 3.46Å; F1142-T1146 PolarHBondContact O-N 3.47Å; F1142-T1146 PolarHBondContact O-OG1 3.47Å; F1142-V1168 HydrophobicContact CE1-CG1 3.74Å; F1142-V1168 HydrophobicContact CZ-CG1 3.87Å; F1142-L1170 HydrophobicContact CE2-CD1 4.06Å; F1142-L1170 HydrophobicContact CE2-CD2 3.89Å; F1142-L1170 HydrophobicContact CE2-CG 4.48Å; F1142-L1170 HydrophobicContact CZ-CD1 4.01Å; F1142-L1170 HydrophobicContact CZ-CD2 4.33Å
1143N90.1Very high90.1Very high11 Ų1143.9 Ų43.96%0.05921%0.205CC..Hα-helixtrans-58.2-44.3171.6-79.3-6.8000111.6D1063 R1139 E1140 K1147D1063-N1143 PolarHBondContact OD1-ND2 3.24Å; D1063-N1143 VanDerWaalsContact OD1-ND2 3.07Å; R1139-N1143 PolarHBondContact O-N 3.38Å; E1140-N1143 PolarHBondContact O-N 3.43Å; N1143-K1147 WeakPolarHBondContact O-CB 3.37Å; N1143-K1147 PolarHBondContact O-N 3.07Å
1144R90.1Very high90.3Very high151 Ų15146 Ų4657%0.5723%0.226SC*.Hα-helixtrans-63.2-43.4174.6-71.9176-170.7-167.56.4112.6E1140 L1141 F1142 S1148E1140-R1144 WeakPolarHBondContact O-CB 3.07Å; E1140-R1144 VanDerWaalsContact O-CG 3.3Å; E1140-R1144 WeakPolarHBondContact O-CG 3.47Å; E1140-R1144 PolarHBondContact O-N 3.3Å; E1140-R1144 IonicContact OE1-CZ 2.78Å; E1140-R1144 IonicContact OE1-NE 3.16Å; E1140-R1144 PolarHBondContact OE1-NE 2.77Å; E1140-R1144 IonicContact OE1-NH2 3.77Å; E1140-R1144 PolarHBondContact OE1-NH2 2.48Å; L1141-R1144 PolarHBondContact O-N 3.12Å; F1142-R1144 VanDerWaalsContact C-N 3.34Å; F1142-R1144 PolarHBondContact O-N 2.94Å; R1144-S1148 WeakPolarHBondContact O-CB 3.19Å; R1144-S1148 PolarHBondContact O-N 3.05Å; R1144-S1148 PolarHBondContact O-OG 3.26Å
1145V91.5Very high90.4Very high11 Ų1152.4 Ų52.47%0.06726%0.255CS..Hα-helixtrans-60.6-57.1176.91690000109.9L1106 L1141 F1142 K1147 S1148 T1149 I1164 V1168L1106-V1145 HydrophobicContact CD2-CG1 4.37Å; L1141-V1145 HydrophobicContact CD1-CG2 4.26Å; L1141-V1145 WeakPolarHBondContact O-CG2 3.1Å; L1141-V1145 PolarHBondContact O-N 3.47Å; F1142-V1145 PolarHBondContact O-N 3.12Å; V1145-K1147 VanDerWaalsContact C-N 3.33Å; V1145-K1147 PolarHBondContact O-N 3.4Å; V1145-S1148 PolarHBondContact O-N 2.85Å; V1145-T1149 PolarHBondContact O-N 3.13Å; V1145-T1149 PolarHBondContact O-OG1 3.23Å; V1145-T1149 VanDerWaalsContact O-OG1 3.11Å; V1145-I1164 HydrophobicContact CG1-CG2 4.11Å; V1145-V1168 HydrophobicContact CB-CG2 4.45Å; V1145-V1168 HydrophobicContact CG1-CG2 3.77Å; V1145-V1168 HydrophobicContact CG2-CG2 3.85Å
1146T90.9Very high90.3Very high23 Ų2359.3 Ų59.314%0.14129%0.288CS..Hα-helixtrans-58.7-41.3179.5-59.30000112.2L1065 L1066 F1142 S1148 T1149 L1150L1065-T1146 HydrophobicContact CB-CG2 4.35Å; L1065-T1146 WeakPolarHBondContact O-CG2 3.39Å; L1066-T1146 HydrophobicContact CB-CG2 4.35Å; F1142-T1146 WeakPolarHBondContact O-CB 3.46Å; F1142-T1146 PolarHBondContact O-N 3.47Å; F1142-T1146 PolarHBondContact O-OG1 3.47Å; T1146-S1148 VanDerWaalsContact C-N 3.27Å; T1146-S1148 PolarHBondContact O-N 3.36Å; T1146-T1149 PolarHBondContact O-N 3.1Å; T1146-L1150 HydrophobicContact CG2-CD1 3.89Å; T1146-L1150 HydrophobicContact CG2-CG 4.28Å; T1146-L1150 WeakPolarHBondContact O-CB 3.41Å; T1146-L1150 VanDerWaalsContact O-CG 3.26Å; T1146-L1150 WeakPolarHBondContact O-CG 3.03Å; T1146-L1150 PolarHBondContact O-N 3.31Å
1147K90.4Very high90.3Very high104 Ų10459.8 Ų59.845%0.45229%0.291SS..Hα-helixtrans-61.1-34.7174.8-169.4172.6-175.5174.10113L1065 N1143 V1145 K1151L1065-K1147 HydrophobicContact CD1-CB 3.74Å; L1065-K1147 HydrophobicContact CD1-CD 4.08Å; L1065-K1147 HydrophobicContact CD1-CG 3.93Å; N1143-K1147 WeakPolarHBondContact O-CB 3.37Å; N1143-K1147 PolarHBondContact O-N 3.07Å; V1145-K1147 VanDerWaalsContact C-N 3.33Å; V1145-K1147 PolarHBondContact O-N 3.4Å; K1147-K1151 WeakPolarHBondContact O-CG 3.42Å; K1147-K1151 PolarHBondContact O-N 3.22Å
1148S90.3Very high90.2Very high50 Ų5057.5 Ų57.535%0.3529%0.285SS..Hα-helixtrans-80.4-42.2179.6-53.50000111.1R1144 V1145 T1146 K1151 A1152R1144-S1148 WeakPolarHBondContact O-CB 3.19Å; R1144-S1148 PolarHBondContact O-N 3.05Å; R1144-S1148 PolarHBondContact O-OG 3.26Å; V1145-S1148 PolarHBondContact O-N 2.85Å; T1146-S1148 VanDerWaalsContact C-N 3.27Å; T1146-S1148 PolarHBondContact O-N 3.36Å; S1148-K1151 WeakPolarHBondContact O-CB 3.38Å; S1148-K1151 PolarHBondContact O-N 3.34Å; S1148-A1152 PolarHBondContact O-N 2.87Å
1149T89.9Confident90.1Very high8 Ų864.2 Ų64.25%0.04931%0.314CS..Hα-helixtrans-62-44.1175.1-57.90000111.4I1081 V1145 T1146 K1151 A1152 I1153 I1161 I1164I1081-T1149 HydrophobicContact CD1-CG2 3.59Å; I1081-T1149 HydrophobicContact CG1-CG2 4Å; V1145-T1149 PolarHBondContact O-N 3.13Å; V1145-T1149 PolarHBondContact O-OG1 3.23Å; V1145-T1149 VanDerWaalsContact O-OG1 3.11Å; T1146-T1149 PolarHBondContact O-N 3.1Å; T1149-K1151 VanDerWaalsContact C-N 3.32Å; T1149-K1151 PolarHBondContact O-N 2.74Å; T1149-A1152 PolarHBondContact O-N 3.1Å; T1149-A1152 VanDerWaalsContact O-N 3.11Å; T1149-I1153 HydrophobicContact CG2-CD1 4.02Å; T1149-I1153 HydrophobicContact CG2-CG1 4.42Å; T1149-I1153 VanDerWaalsContact O-CG1 3.3Å; T1149-I1153 WeakPolarHBondContact O-CG1 3.41Å; T1149-I1153 PolarHBondContact O-N 2.9Å; T1149-I1161 HydrophobicContact CG2-CG2 4.24Å; T1149-I1164 WeakPolarHBondContact OG1-CG2 3.38Å
1150L90.3Very high90.1Very high46 Ų4665 Ų6524%0.24132%0.323CS..Hα-helixtrans-60.5-39.2176.1-73.3169.7000112.3L1065 R1077 T1146 I1153 V1154L1065-L1150 HydrophobicContact CD2-CD1 4.26Å; R1077-L1150 HydrophobicContact CG-CD2 4.38Å; T1146-L1150 HydrophobicContact CG2-CD1 3.89Å; T1146-L1150 HydrophobicContact CG2-CG 4.28Å; T1146-L1150 WeakPolarHBondContact O-CB 3.41Å; T1146-L1150 VanDerWaalsContact O-CG 3.26Å; T1146-L1150 WeakPolarHBondContact O-CG 3.03Å; T1146-L1150 PolarHBondContact O-N 3.31Å; L1150-I1153 HydrophobicContact CD2-CD1 4.46Å; L1150-V1154 WeakPolarHBondContact O-CG2 3.28Å; L1150-V1154 PolarHBondContact O-N 2.84Å; L1150-V1154 VanDerWaalsContact O-N 3.16Å
1151K90.6Very high90Very high136 Ų13661.1 Ų61.159%0.59131%0.305SS*.Hα-helixtrans-63.7-44.8171.5-74.6-179.2171.5-163.40112.2K1147 S1148 T1149 I1153 V1154 H1155K1147-K1151 WeakPolarHBondContact O-CG 3.42Å; K1147-K1151 PolarHBondContact O-N 3.22Å; S1148-K1151 WeakPolarHBondContact O-CB 3.38Å; S1148-K1151 PolarHBondContact O-N 3.34Å; T1149-K1151 VanDerWaalsContact C-N 3.32Å; T1149-K1151 PolarHBondContact O-N 2.74Å; K1151-I1153 VanDerWaalsContact C-N 3.32Å; K1151-I1153 PolarHBondContact O-N 2.93Å; K1151-V1154 PolarHBondContact O-N 3.04Å; K1151-H1155 PolarHBondContact O-CD2 2.9Å; K1151-H1155 PolarHBondContact O-N 3.39Å
1152A89.8Confident89.9Confident7 Ų763.7 Ų63.76%0.05832%0.315CS..Hα-helixtrans-67.9-31.3-179.100000112.6S1148 T1149 H1155 E1156 D1157 A1160 I1161 I1164S1148-A1152 PolarHBondContact O-N 2.87Å; T1149-A1152 PolarHBondContact O-N 3.1Å; T1149-A1152 VanDerWaalsContact O-N 3.11Å; A1152-H1155 CarbonylContact O-C 3.57Å; A1152-H1155 PolarHBondContact O-N 3.5Å; A1152-E1156 PolarHBondContact O-N 3.13Å; A1152-E1156 VanDerWaalsContact O-N 3.07Å; A1152-D1157 PolarHBondContact O-N 2.9Å; A1152-A1160 HydrophobicContact CB-CB 3.99Å; A1152-I1161 HydrophobicContact CB-CD1 4.46Å; A1152-I1161 HydrophobicContact CB-CG1 3.53Å; A1152-I1164 HydrophobicContact CB-CD1 4.09Å
1153I88.7Confident89.7Confident30 Ų3066.7 Ų66.715%0.15433%0.332CS..Hα-helixtrans-62.1-47168.7-70.2164.3000110.9V1080 I1081 I1084 T1149 L1150 K1151 H1155 E1156 I1161V1080-I1153 HydrophobicContact CG1-CG2 3.62Å; I1081-I1153 HydrophobicContact CD1-CD1 4.15Å; I1081-I1153 HydrophobicContact CG1-CD1 3.69Å; I1081-I1153 HydrophobicContact CG1-CG1 4.17Å; I1084-I1153 HydrophobicContact CD1-CB 4.4Å; I1084-I1153 HydrophobicContact CD1-CG1 4.38Å; I1084-I1153 HydrophobicContact CD1-CG2 4.08Å; T1149-I1153 HydrophobicContact CG2-CD1 4.02Å; T1149-I1153 HydrophobicContact CG2-CG1 4.42Å; T1149-I1153 VanDerWaalsContact O-CG1 3.3Å; T1149-I1153 WeakPolarHBondContact O-CG1 3.41Å; T1149-I1153 PolarHBondContact O-N 2.9Å; L1150-I1153 HydrophobicContact CD2-CD1 4.46Å; K1151-I1153 VanDerWaalsContact C-N 3.32Å; K1151-I1153 PolarHBondContact O-N 2.93Å; I1153-H1155 PolarHBondContact O-N 2.8Å; I1153-E1156 PolarHBondContact O-N 2.83Å; I1153-I1161 HydrophobicContact CG1-CD1 3.91Å
1154V89.9Confident89.7Confident118 Ų11867.5 Ų67.572%0.71534%0.336SS*.Hα-helixtrans-62.6-23.3178.3169.50000112.8L1150 K1151L1150-V1154 WeakPolarHBondContact O-CG2 3.28Å; L1150-V1154 PolarHBondContact O-N 2.84Å; L1150-V1154 VanDerWaalsContact O-N 3.16Å; K1151-V1154 PolarHBondContact O-N 3.04Å
1155H89.6Confident89.6Confident146 Ų14660.9 Ų60.968%0.67631%0.312SS*.THydrogen-bonded Turntrans-99.35173.3-63.4-58.3000114K1151 A1152 I1153 D1157K1151-H1155 PolarHBondContact O-CD2 2.9Å; K1151-H1155 PolarHBondContact O-N 3.39Å; A1152-H1155 CarbonylContact O-C 3.57Å; A1152-H1155 PolarHBondContact O-N 3.5Å; I1153-H1155 PolarHBondContact O-N 2.8Å; H1155-D1157 PolarHBondContact O-N 2.81Å
1156E88Confident89.2Confident154 Ų15465 Ų6572%0.7233%0.33SS*.THydrogen-bonded Turntrans50.623.2-174.2-60-173.9167.100114.9I1084 A1152 I1153 A1158I1084-E1156 WeakPolarHBondContact CG2-O 3.34Å; A1152-E1156 PolarHBondContact O-N 3.13Å; A1152-E1156 VanDerWaalsContact O-N 3.07Å; I1153-E1156 PolarHBondContact O-N 2.83Å; E1156-A1158 PolarHBondContact O-N 2.98Å
1157D89.5Confident89Confident72 Ų7270.2 Ų70.239%0.38536%0.356SS..  trans-80.686.3-173.5-171.2-14.9000111.5A1152 H1155 K1159 A1160 I1161A1152-D1157 PolarHBondContact O-N 2.9Å; H1155-D1157 PolarHBondContact O-N 2.81Å; D1157-K1159 PolarHBondContact O-N 3.07Å; D1157-K1159 VanDerWaalsContact O-N 3.08Å; D1157-K1159 WeakPolarHBondContact OD1-CA 3.26Å; D1157-K1159 WeakPolarHBondContact OD1-CB 3.22Å; D1157-K1159 PolarHBondContact OD1-N 3.36Å; D1157-A1160 HydrophobicContact CB-CB 3.85Å; D1157-A1160 VanDerWaalsContact CG-CB 3.42Å; D1157-A1160 PolarHBondContact O-N 3Å; D1157-A1160 PolarHBondContact OD1-N 3.44Å; D1157-A1160 WeakPolarHBondContact OD2-CB 3.39Å; D1157-I1161 WeakPolarHBondContact O-CG1 3.45Å; D1157-I1161 PolarHBondContact O-N 3.01Å
1158A88.8Confident89Confident30 Ų3065.5 Ų65.525%0.24834%0.336CS..Hα-helixtrans-54.1-22.1173.900000114.7I1084 E1156 K1162I1084-A1158 HydrophobicContact CG2-CB 3.86Å; I1084-A1158 VanDerWaalsContact O-CB 3.27Å; I1084-A1158 WeakPolarHBondContact O-CB 3.13Å; E1156-A1158 PolarHBondContact O-N 2.98Å; A1158-K1162 VanDerWaalsContact O-CD 3.29Å; A1158-K1162 WeakPolarHBondContact O-CD 3.32Å; A1158-K1162 VanDerWaalsContact O-CG 3.24Å; A1158-K1162 WeakPolarHBondContact O-CG 3.15Å
1159K89.6Confident88.9Confident140 Ų14066 Ų6661%0.60934%0.335SS*.Hα-helixtrans-85.6-50.4175.2-169.3-161.2171.1-156.80110.4D1157 I1161 K1162 D1163D1157-K1159 PolarHBondContact O-N 3.07Å; D1157-K1159 VanDerWaalsContact O-N 3.08Å; D1157-K1159 WeakPolarHBondContact OD1-CA 3.26Å; D1157-K1159 WeakPolarHBondContact OD1-CB 3.22Å; D1157-K1159 PolarHBondContact OD1-N 3.36Å; K1159-I1161 VanDerWaalsContact C-N 3.26Å; K1159-I1161 PolarHBondContact O-N 2.95Å; K1159-K1162 WeakPolarHBondContact O-CA 3.4Å; K1159-K1162 WeakPolarHBondContact O-CB 3.34Å; K1159-K1162 PolarHBondContact O-N 2.83Å; K1159-D1163 VanDerWaalsContact CE-OD2 3.23Å; K1159-D1163 WeakPolarHBondContact CE-OD2 3.4Å; K1159-D1163 IonicContact NZ-OD2 3.86Å; K1159-D1163 PolarHBondContact O-N 3.14Å
1160A90.3Very high89Confident27 Ų2766 Ų6622%0.22333%0.334CS..Hα-helixtrans-56.2-41.6177.100000111.7A1152 D1157 K1162 D1163 I1164A1152-A1160 HydrophobicContact CB-CB 3.99Å; D1157-A1160 HydrophobicContact CB-CB 3.85Å; D1157-A1160 VanDerWaalsContact CG-CB 3.42Å; D1157-A1160 PolarHBondContact O-N 3Å; D1157-A1160 PolarHBondContact OD1-N 3.44Å; D1157-A1160 WeakPolarHBondContact OD2-CB 3.39Å; A1160-K1162 PolarHBondContact O-N 3.12Å; A1160-D1163 PolarHBondContact O-N 3.39Å; A1160-I1164 WeakPolarHBondContact O-CB 3.34Å; A1160-I1164 VanDerWaalsContact O-CD1 3.28Å; A1160-I1164 WeakPolarHBondContact O-CD1 2.87Å; A1160-I1164 WeakPolarHBondContact O-CG1 3.46Å; A1160-I1164 PolarHBondContact O-N 3.32Å
1161I88.4Confident89Confident0 Ų064.6 Ų64.60%033%0.329CS..Hα-helixtrans-60.1-45.3174.5-60.9167.2000111I1081 I1084 T1085 T1149 A1152 I1153 D1157 K1159 D1163 I1164 I1165I1081-I1161 HydrophobicContact CG2-CG2 4.01Å; I1084-I1161 HydrophobicContact CB-CD1 4.32Å; I1084-I1161 HydrophobicContact CD1-CD1 4.37Å; I1084-I1161 HydrophobicContact CG2-CD1 3.82Å; T1085-I1161 HydrophobicContact CG2-CB 3.69Å; T1085-I1161 HydrophobicContact CG2-CD1 4.12Å; T1085-I1161 HydrophobicContact CG2-CG2 3.46Å; T1085-I1161 VanDerWaalsContact CG2-CG2 3.46Å; T1149-I1161 HydrophobicContact CG2-CG2 4.24Å; A1152-I1161 HydrophobicContact CB-CD1 4.46Å; A1152-I1161 HydrophobicContact CB-CG1 3.53Å; I1153-I1161 HydrophobicContact CG1-CD1 3.91Å; D1157-I1161 WeakPolarHBondContact O-CG1 3.45Å; D1157-I1161 PolarHBondContact O-N 3.01Å; K1159-I1161 VanDerWaalsContact C-N 3.26Å; K1159-I1161 PolarHBondContact O-N 2.95Å; I1161-D1163 PolarHBondContact O-N 2.99Å; I1161-I1164 PolarHBondContact O-N 2.76Å; I1161-I1165 HydrophobicContact CG2-CD1 3.67Å; I1161-I1165 HydrophobicContact CG2-CG1 4.36Å; I1161-I1165 WeakPolarHBondContact O-CB 3.35Å; I1161-I1165 WeakPolarHBondContact O-CG1 3.31Å; I1161-I1165 PolarHBondContact O-N 2.85Å
1162K88.5Confident89Confident71 Ų7158.8 Ų58.831%0.30931%0.306SS..Hα-helixtrans-61.6-42.9177.2-77.7171.1-175.7167.80112.4T1085 L1087 A1158 K1159 A1160 I1165 Q1166T1085-K1162 HydrophobicContact CG2-CG 4.45Å; T1085-K1162 WeakPolarHBondContact O-CE 3.41Å; T1085-K1162 PolarHBondContact O-NZ 3.17Å; L1087-K1162 HydrophobicContact CD1-CG 3.94Å; L1087-K1162 HydrophobicContact CD2-CD 4.45Å; L1087-K1162 HydrophobicContact CD2-CG 4.09Å; L1087-K1162 HydrophobicContact CG-CG 4.03Å; A1158-K1162 VanDerWaalsContact O-CD 3.29Å; A1158-K1162 WeakPolarHBondContact O-CD 3.32Å; A1158-K1162 VanDerWaalsContact O-CG 3.24Å; A1158-K1162 WeakPolarHBondContact O-CG 3.15Å; K1159-K1162 WeakPolarHBondContact O-CA 3.4Å; K1159-K1162 WeakPolarHBondContact O-CB 3.34Å; K1159-K1162 PolarHBondContact O-N 2.83Å; A1160-K1162 PolarHBondContact O-N 3.12Å; K1162-I1165 PolarHBondContact O-N 3.12Å; K1162-Q1166 WeakPolarHBondContact O-CG 3.32Å; K1162-Q1166 PolarHBondContact O-N 3.39Å; K1162-Q1166 PolarHBondContact O-NE2 2.86Å
1163D89Confident88.9Confident66 Ų6665.2 Ų65.235%0.35334%0.335SS..Hα-helixtrans-69.3-41.7-178.9-65-11.3000110.2K1159 A1160 I1161 I1165 Q1166 L1167K1159-D1163 VanDerWaalsContact CE-OD2 3.23Å; K1159-D1163 WeakPolarHBondContact CE-OD2 3.4Å; K1159-D1163 IonicContact NZ-OD2 3.86Å; K1159-D1163 PolarHBondContact O-N 3.14Å; A1160-D1163 PolarHBondContact O-N 3.39Å; I1161-D1163 PolarHBondContact O-N 2.99Å; D1163-I1165 PolarHBondContact O-N 3.39Å; D1163-Q1166 PolarHBondContact O-N 2.99Å; D1163-L1167 WeakPolarHBondContact O-CG 3.14Å; D1163-L1167 PolarHBondContact O-N 3.3Å
1164I90.2Very high88.9Confident28 Ų2869.1 Ų69.114%0.14435%0.348CS..Hα-helixtrans-61.2-42.2174.4-69.1160.3000111.9V1145 T1149 A1152 A1160 I1161 Q1166 L1167V1145-I1164 HydrophobicContact CG1-CG2 4.11Å; T1149-I1164 WeakPolarHBondContact OG1-CG2 3.38Å; A1152-I1164 HydrophobicContact CB-CD1 4.09Å; A1160-I1164 WeakPolarHBondContact O-CB 3.34Å; A1160-I1164 VanDerWaalsContact O-CD1 3.28Å; A1160-I1164 WeakPolarHBondContact O-CD1 2.87Å; A1160-I1164 WeakPolarHBondContact O-CG1 3.46Å; A1160-I1164 PolarHBondContact O-N 3.32Å; I1161-I1164 PolarHBondContact O-N 2.76Å; I1164-Q1166 VanDerWaalsContact C-N 3.3Å; I1164-Q1166 PolarHBondContact O-N 2.95Å; I1164-L1167 PolarHBondContact O-N 3.14Å
1165I86.5Confident89Confident12 Ų1263.7 Ų63.76%0.06232%0.315CS..Hα-helixtrans-67.1-30.4179-69.4171.9000112I1081 L1087 L1106 I1161 K1162 D1163 V1168 W1319I1081-I1165 HydrophobicContact CG2-CD1 4.12Å; L1087-I1165 HydrophobicContact CD1-CD1 3.92Å; L1106-I1165 HydrophobicContact CD1-CG2 4.04Å; L1106-I1165 HydrophobicContact CD2-CG1 3.87Å; L1106-I1165 HydrophobicContact CD2-CG2 4.43Å; I1161-I1165 HydrophobicContact CG2-CD1 3.67Å; I1161-I1165 HydrophobicContact CG2-CG1 4.36Å; I1161-I1165 WeakPolarHBondContact O-CB 3.35Å; I1161-I1165 WeakPolarHBondContact O-CG1 3.31Å; I1161-I1165 PolarHBondContact O-N 2.85Å; K1162-I1165 PolarHBondContact O-N 3.12Å; D1163-I1165 PolarHBondContact O-N 3.39Å; I1165-V1168 WeakPolarHBondContact O-CG2 3.36Å; I1165-V1168 PolarHBondContact O-N 3.2Å; I1165-W1319 HydrophobicContact CG2-CH2 4.37Å; I1165-W1319 HydrophobicContact CG2-CZ2 4.04Å
1166Q85Confident89Confident98 Ų9858.9 Ų58.946%0.45830%0.297SS..Hα-helixtrans-71.4-30.5174.2-75.3166.883.700112.8K1162 D1163 I1164 V1168 W1319K1162-Q1166 WeakPolarHBondContact O-CG 3.32Å; K1162-Q1166 PolarHBondContact O-N 3.39Å; K1162-Q1166 PolarHBondContact O-NE2 2.86Å; D1163-Q1166 PolarHBondContact O-N 2.99Å; I1164-Q1166 VanDerWaalsContact C-N 3.3Å; I1164-Q1166 PolarHBondContact O-N 2.95Å; Q1166-V1168 PolarHBondContact O-N 2.9Å; Q1166-W1319 HydrophobicContact CG-CD2 3.95Å; Q1166-W1319 HydrophobicContact CG-CE3 3.6Å; Q1166-W1319 HydrophobicContact CG-CH2 3.52Å; Q1166-W1319 HydrophobicContact CG-CZ2 3.87Å; Q1166-W1319 HydrophobicContact CG-CZ3 3.38Å
1167L85.5Confident89Confident131 Ų13152.3 Ų52.369%0.68627%0.267SS*.THydrogen-bonded Turntrans-71.2-4.8176.8-65.8170.8000114.1D1163 I1164 D1169D1163-L1167 WeakPolarHBondContact O-CG 3.14Å; D1163-L1167 PolarHBondContact O-N 3.3Å; I1164-L1167 PolarHBondContact O-N 3.14Å; L1167-D1169 VanDerWaalsContact C-N 3.32Å; L1167-D1169 PolarHBondContact O-N 3.41Å
1168V89.8Confident89.3Confident5 Ų549.1 Ų49.13%0.0325%0.249CC..  trans-78.179.6176.4-168.40000110.8L1106 K1110 F1142 V1145 I1165 Q1166L1106-V1168 HydrophobicContact CD2-CG2 4.46Å; K1110-V1168 HydrophobicContact CB-CG1 4.46Å; K1110-V1168 HydrophobicContact CD-CB 4.46Å; K1110-V1168 HydrophobicContact CD-CG1 4.17Å; K1110-V1168 HydrophobicContact CG-CG1 4.05Å; K1110-V1168 PolarHBondContact NZ-O 2.87Å; F1142-V1168 HydrophobicContact CE1-CG1 3.74Å; F1142-V1168 HydrophobicContact CZ-CG1 3.87Å; V1145-V1168 HydrophobicContact CB-CG2 4.45Å; V1145-V1168 HydrophobicContact CG1-CG2 3.77Å; V1145-V1168 HydrophobicContact CG2-CG2 3.85Å; I1165-V1168 WeakPolarHBondContact O-CG2 3.36Å; I1165-V1168 PolarHBondContact O-N 3.2Å; Q1166-V1168 PolarHBondContact O-N 2.9Å
1169D89.4Confident89.6Confident62 Ų6248.9 Ų48.933%0.33224%0.243SC..  trans-94.1117.8172.6179.430.9000112.3L1167 S1171 R1174L1167-D1169 VanDerWaalsContact C-N 3.32Å; L1167-D1169 PolarHBondContact O-N 3.41Å; D1169-S1171 WeakPolarHBondContact OD1-CB 3.28Å; D1169-S1171 PolarHBondContact OD1-N 2.7Å; D1169-S1171 PolarHBondContact OD1-OG 3.18Å; D1169-S1171 PolarHBondContact OD2-OG 2.96Å; D1169-S1171 VanDerWaalsContact OD2-OG 3.09Å; D1169-R1174 PolarHBondContact O-NH1 2.81Å; D1169-R1174 VanDerWaalsContact OD2-CB 3.23Å; D1169-R1174 WeakPolarHBondContact OD2-CB 3.31Å; D1169-R1174 WeakPolarHBondContact OD2-CD 3.45Å
1170L92.6Very high89.7Confident6 Ų642.2 Ų42.23%0.03121%0.214CC..  trans-113.511.8173.3-60.7-176.3000112.9K1110 E1114 R1118 L1141 F1142 I1175 I1181K1110-L1170 HydrophobicContact CB-CD1 4.04Å; E1114-L1170 HydrophobicContact CB-CB 4.37Å; E1114-L1170 HydrophobicContact CG-CB 4.14Å; E1114-L1170 WeakPolarHBondContact CG-O 3.48Å; R1118-L1170 PolarHBondContact NH2-O 3.19Å; L1141-L1170 HydrophobicContact CD2-CD2 3.72Å; F1142-L1170 HydrophobicContact CE2-CD1 4.06Å; F1142-L1170 HydrophobicContact CE2-CD2 3.89Å; F1142-L1170 HydrophobicContact CE2-CG 4.48Å; F1142-L1170 HydrophobicContact CZ-CD1 4.01Å; F1142-L1170 HydrophobicContact CZ-CD2 4.33Å; L1170-I1175 HydrophobicContact CD2-CD1 3.69Å; L1170-I1181 HydrophobicContact CB-CD1 4.12Å
1171S90.4Very high90Very high17 Ų1740.9 Ų40.912%0.11920%0.203CC..  trans-58.8159.4-173.666.20000113.8E1114 D1169 Q1173 R1174 I1175E1114-S1171 WeakPolarHBondContact OE1-CA 3.49Å; D1169-S1171 WeakPolarHBondContact OD1-CB 3.28Å; D1169-S1171 PolarHBondContact OD1-N 2.7Å; D1169-S1171 PolarHBondContact OD1-OG 3.18Å; D1169-S1171 PolarHBondContact OD2-OG 2.96Å; D1169-S1171 VanDerWaalsContact OD2-OG 3.09Å; S1171-Q1173 PolarHBondContact O-N 3.33Å; S1171-R1174 PolarHBondContact O-N 2.79Å; S1171-I1175 PolarHBondContact O-N 3.4Å
1172A90.1Very high90.4Very high15 Ų1541 Ų4112%0.12420%0.204CC..THydrogen-bonded Turntrans-61-12.5173.800000114.4P1176A1172-P1176 WeakPolarHBondContact O-CA 3.35Å
1173Q88.4Confident90.6Very high141 Ų14138.3 Ų38.366%0.65920%0.195SC*.THydrogen-bonded Turntrans-75.8-38.5171-73.779.3-16.300111.5S1171S1171-Q1173 PolarHBondContact O-N 3.33Å
1174R88.2Confident90.9Very high112 Ų11235.2 Ų35.242%0.42318%0.178SC..THydrogen-bonded Turntrans-99.8-39.1-172.3-171.1164-177.4-97.9-6.5113.4D1169 S1171D1169-R1174 PolarHBondContact O-NH1 2.81Å; D1169-R1174 VanDerWaalsContact OD2-CB 3.23Å; D1169-R1174 WeakPolarHBondContact OD2-CB 3.31Å; D1169-R1174 WeakPolarHBondContact OD2-CD 3.45Å; S1171-R1174 PolarHBondContact O-N 2.79Å
1175I90.8Very high91.1Very high4 Ų433.9 Ų33.92%0.02117%0.172CC..  trans-126.183.1175.5-68.9137.9000107.1R1118 M1134 V1138 L1141 L1170 S1171 D1177 I1181R1118-I1175 VanDerWaalsContact CZ-O 3.29Å; R1118-I1175 PolarHBondContact NH1-O 2.9Å; R1118-I1175 PolarHBondContact NH2-O 3.31Å; M1134-I1175 HydrophobicContact CG-CG2 4.05Å; M1134-I1175 HydrophobicContact SD-CB 4.24Å; M1134-I1175 HydrophobicContact SD-CG1 4.06Å; M1134-I1175 HydrophobicContact SD-CG2 3.97Å; V1138-I1175 HydrophobicContact CG2-CD1 3.77Å; V1138-I1175 HydrophobicContact CG2-CG1 3.87Å; V1138-I1175 HydrophobicContact CG2-CG2 3.82Å; L1141-I1175 HydrophobicContact CD2-CD1 4.41Å; L1170-I1175 HydrophobicContact CD2-CD1 3.69Å; S1171-I1175 PolarHBondContact O-N 3.4Å; I1175-D1177 VanDerWaalsContact C-N 3.3Å; I1175-D1177 PolarHBondContact O-N 2.77Å; I1175-I1181 HydrophobicContact CB-CD1 4.49Å; I1175-I1181 HydrophobicContact CG2-CD1 3.85Å; I1175-I1181 HydrophobicContact CG2-CG1 3.69Å
1176P89.2Confident91.5Very high46 Ų4634 Ų3430%0.29917%0.172SC..  trans-65.6-31.8-172.224.5-34000113R1118 M1134 A1172R1118-P1176 PolarHBondContact NH1-O 2.92Å; R1118-P1176 VanDerWaalsContact NH1-O 3.08Å; M1134-P1176 HydrophobicContact CE-CG 4.48Å; A1172-P1176 WeakPolarHBondContact O-CA 3.35Å
1177D90Very high91.8Very high16 Ų1629.5 Ų29.59%0.08615%0.151CC..  trans-82.4115.3176.5178.625.1000111.8G1130 S1131 M1134 I1175 H1179 A1180G1130-D1177 WeakPolarHBondContact CA-OD2 3.1Å; S1131-D1177 PolarHBondContact N-OD2 2.89Å; M1134-D1177 HydrophobicContact CG-CB 4.41Å; I1175-D1177 VanDerWaalsContact C-N 3.3Å; I1175-D1177 PolarHBondContact O-N 2.77Å; D1177-H1179 VanDerWaalsContact C-N 3.33Å; D1177-H1179 VanDerWaalsContact OD1-CB 3.28Å; D1177-H1179 WeakPolarHBondContact OD1-CB 3.25Å; D1177-H1179 IonicContact OD1-CD2 2.92Å; D1177-H1179 PolarHBondContact OD1-CD2 2.93Å; D1177-H1179 IonicContact OD1-CG 2.65Å; D1177-H1179 PolarHBondContact OD1-N 2.98Å; D1177-A1180 HydrophobicContact CB-CB 4.34Å; D1177-A1180 WeakPolarHBondContact OD2-CB 3.21Å; D1177-A1180 PolarHBondContact OD2-N 3.49Å; D1177-A1180 VanDerWaalsContact OD2-N 3.12Å
1178I94.5Very high92.2Very high4 Ų423.4 Ų23.42%0.02112%0.119CC..Hα-helixtrans-74.3-25.3174.6-168.458.6000112.1I1115 R1118 V1122 A1180 I1181 T1182I1115-I1178 HydrophobicContact CG1-CD1 3.95Å; R1118-I1178 HydrophobicContact CG-CD1 4.22Å; V1122-I1178 HydrophobicContact CB-CG2 4.21Å; V1122-I1178 HydrophobicContact CG1-CG2 3.84Å; V1122-I1178 HydrophobicContact CG2-CG2 4.16Å; I1178-A1180 VanDerWaalsContact C-N 3.33Å; I1178-A1180 PolarHBondContact O-N 2.7Å; I1178-I1181 HydrophobicContact CD1-CB 4.32Å; I1178-I1181 HydrophobicContact CD1-CD1 4.09Å; I1178-I1181 PolarHBondContact O-N 2.9Å; I1178-I1181 VanDerWaalsContact O-N 3.15Å; I1178-T1182 PolarHBondContact O-N 3.1Å
1179H94.9Very high92.4Very high25 Ų2523.3 Ų23.312%0.11612%0.118CC..Hα-helixtrans-68.5-35.2-179.1-61.1-66000111.2D1177 I1181 T1182 A1183D1177-H1179 VanDerWaalsContact C-N 3.33Å; D1177-H1179 VanDerWaalsContact OD1-CB 3.28Å; D1177-H1179 WeakPolarHBondContact OD1-CB 3.25Å; D1177-H1179 IonicContact OD1-CD2 2.92Å; D1177-H1179 PolarHBondContact OD1-CD2 2.93Å; D1177-H1179 IonicContact OD1-CG 2.65Å; D1177-H1179 PolarHBondContact OD1-N 2.98Å; H1179-I1181 VanDerWaalsContact C-N 3.34Å; H1179-I1181 PolarHBondContact O-N 3.5Å; H1179-T1182 WeakPolarHBondContact CA-OG1 3.39Å; H1179-T1182 PolarHBondContact O-N 2.94Å; H1179-T1182 PolarHBondContact O-OG1 2.85Å; H1179-A1183 WeakPolarHBondContact O-CB 3.48Å; H1179-A1183 PolarHBondContact O-N 2.83Å
1180A92.8Very high92.4Very high0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-57.5-41.2169.200000113.2M1134 D1177 I1178 A1183 V1184M1134-A1180 HydrophobicContact CB-CB 3.73Å; M1134-A1180 HydrophobicContact CG-CB 3.52Å; D1177-A1180 HydrophobicContact CB-CB 4.34Å; D1177-A1180 WeakPolarHBondContact OD2-CB 3.21Å; D1177-A1180 PolarHBondContact OD2-N 3.49Å; D1177-A1180 VanDerWaalsContact OD2-N 3.12Å; I1178-A1180 VanDerWaalsContact C-N 3.33Å; I1178-A1180 PolarHBondContact O-N 2.7Å; A1180-A1183 PolarHBondContact O-N 2.73Å; A1180-V1184 PolarHBondContact O-N 2.77Å
1181I95.6Very high92.2Very high0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-65.3-46.4174.8-58.4-178.1000110C1111 E1114 I1115 V1138 L1170 I1175 I1178 H1179 A1183 V1184 F1185C1111-I1181 HydrophobicContact CB-CG2 4.19Å; E1114-I1181 HydrophobicContact CG-CD1 4.24Å; I1115-I1181 HydrophobicContact CD1-CG2 4.22Å; I1115-I1181 HydrophobicContact CG1-CG2 4.28Å; V1138-I1181 HydrophobicContact CG2-CG1 4.33Å; L1170-I1181 HydrophobicContact CB-CD1 4.12Å; I1175-I1181 HydrophobicContact CB-CD1 4.49Å; I1175-I1181 HydrophobicContact CG2-CD1 3.85Å; I1175-I1181 HydrophobicContact CG2-CG1 3.69Å; I1178-I1181 HydrophobicContact CD1-CB 4.32Å; I1178-I1181 HydrophobicContact CD1-CD1 4.09Å; I1178-I1181 PolarHBondContact O-N 2.9Å; I1178-I1181 VanDerWaalsContact O-N 3.15Å; H1179-I1181 VanDerWaalsContact C-N 3.34Å; H1179-I1181 PolarHBondContact O-N 3.5Å; I1181-A1183 PolarHBondContact O-N 3.39Å; I1181-V1184 PolarHBondContact O-N 2.75Å; I1181-F1185 WeakPolarHBondContact O-CB 3.21Å; I1181-F1185 PolarHBondContact O-N 3.24Å
1182T96.2Very high92.2Very high1 Ų121 Ų211%0.00610%0.103CC..Hα-helixtrans-62.8-27.7176.162.90000113.2I1115 V1125 Y1126 I1178 H1179 K1186I1115-T1182 HydrophobicContact CD1-CG2 3.85Å; I1115-T1182 HydrophobicContact CG1-CG2 4.14Å; V1125-T1182 HydrophobicContact CG2-CG2 3.87Å; Y1126-T1182 HydrophobicContact CD1-CG2 3.93Å; Y1126-T1182 HydrophobicContact CE1-CG2 3.89Å; Y1126-T1182 HydrophobicContact CG-CG2 4.3Å; I1178-T1182 PolarHBondContact O-N 3.1Å; H1179-T1182 WeakPolarHBondContact CA-OG1 3.39Å; H1179-T1182 PolarHBondContact O-N 2.94Å; H1179-T1182 PolarHBondContact O-OG1 2.85Å; T1182-K1186 WeakPolarHBondContact O-CG 3.21Å; T1182-K1186 PolarHBondContact O-N 3.13Å
1183A93.7Very high92.1Very high16 Ų1621.7 Ų21.713%0.13211%0.106CC..Hα-helixtrans-72.2-48.3175.400000111.9K1135 H1179 A1180 I1181 F1185 K1186 D1187K1135-A1183 HydrophobicContact CD-CB 4.17Å; K1135-A1183 HydrophobicContact CG-CB 4.21Å; H1179-A1183 WeakPolarHBondContact O-CB 3.48Å; H1179-A1183 PolarHBondContact O-N 2.83Å; A1180-A1183 PolarHBondContact O-N 2.73Å; I1181-A1183 PolarHBondContact O-N 3.39Å; A1183-F1185 PolarHBondContact O-N 2.88Å; A1183-K1186 PolarHBondContact O-N 2.95Å; A1183-K1186 VanDerWaalsContact O-N 3.14Å; A1183-D1187 PolarHBondContact O-N 2.67Å
1184V94.1Very high92.1Very high0 Ų018.2 Ų18.20%09%0.09CC..Hα-helixtrans-63.9-31.2174.8-176.10000111.7F1067 F1107 K1135 V1138 R1139 A1180 I1181 D1187 F1188F1067-V1184 HydrophobicContact CE1-CG1 3.83Å; F1067-V1184 HydrophobicContact CZ-CG1 3.66Å; F1107-V1184 HydrophobicContact CE2-CG1 3.91Å; F1107-V1184 HydrophobicContact CZ-CG1 3.95Å; K1135-V1184 HydrophobicContact CB-CG2 4.2Å; K1135-V1184 HydrophobicContact CG-CG2 3.44Å; K1135-V1184 VanDerWaalsContact CG-CG2 3.44Å; K1135-V1184 WeakPolarHBondContact O-CG2 3.49Å; V1138-V1184 HydrophobicContact CB-CG2 3.93Å; V1138-V1184 HydrophobicContact CG1-CB 4.04Å; V1138-V1184 HydrophobicContact CG1-CG1 4.17Å; V1138-V1184 HydrophobicContact CG1-CG2 3.92Å; R1139-V1184 HydrophobicContact CB-CG1 4.43Å; A1180-V1184 PolarHBondContact O-N 2.77Å; I1181-V1184 PolarHBondContact O-N 2.75Å; V1184-D1187 WeakPolarHBondContact O-CB 3.39Å; V1184-D1187 PolarHBondContact O-N 3.33Å; V1184-F1188 PolarHBondContact O-N 3.17Å
1185F96.2Very high92.3Very high0 Ų012.9 Ų12.90%07%0.069CC..Hα-helixtrans-65.8-42.2172.5-172.9-93.7000112.7F1107 I1108 C1111 V1112 Y1126 I1181 A1183 F1188 L1189 L1242 F1246F1107-F1185 HydrophobicContact CE1-CD2 4.15Å; I1108-F1185 HydrophobicContact CG2-CE2 4.16Å; C1111-F1185 HydrophobicContact CB-CD2 3.84Å; V1112-F1185 HydrophobicContact CG2-CE2 4.32Å; Y1126-F1185 AromaticContact CE1-CD1 3.72Å; Y1126-F1185 HydrophobicContact CE1-CD1 3.72Å; Y1126-F1185 HydrophobicContact CE1-CE1 4.35Å; Y1126-F1185 HydrophobicContact CE1-CG 4.48Å; I1181-F1185 WeakPolarHBondContact O-CB 3.21Å; I1181-F1185 PolarHBondContact O-N 3.24Å; A1183-F1185 PolarHBondContact O-N 2.88Å; F1185-F1188 PolarHBondContact O-N 2.86Å; F1185-L1189 HydrophobicContact CD1-CD1 4.09Å; F1185-L1189 HydrophobicContact CE1-CD1 3.47Å; F1185-L1189 VanDerWaalsContact CE1-CD1 3.47Å; F1185-L1189 HydrophobicContact CE1-CG 4.33Å; F1185-L1189 HydrophobicContact CZ-CD1 3.93Å; F1185-L1189 HydrophobicContact CZ-CG 4.49Å; F1185-L1189 PolarHBondContact O-N 3.14Å; F1185-L1242 HydrophobicContact CE2-CD2 4.31Å; F1185-L1242 HydrophobicContact CZ-CD1 3.91Å; F1185-L1242 HydrophobicContact CZ-CD2 3.6Å; F1185-L1242 HydrophobicContact CZ-CG 4.42Å; F1185-F1246 HydrophobicContact CE1-CZ 4.4Å
1186K94.4Very high92.4Very high14 Ų1412.8 Ų12.86%0.0617%0.069CC..Hα-helixtrans-66.2-38.4172.4-73.8-168.3-57.2-174.40112.3D953 Y1126 T1182 A1183 L1189 R1190 L1267 V1270D953-K1186 IonicContact OD2-NZ 3.54Å; D953-K1186 PolarHBondContact OD2-NZ 3.35Å; Y1126-K1186 HydrophobicContact CD1-CG 4.35Å; Y1126-K1186 PolarHBondContact O-NZ 2.89Å; T1182-K1186 WeakPolarHBondContact O-CG 3.21Å; T1182-K1186 PolarHBondContact O-N 3.13Å; A1183-K1186 PolarHBondContact O-N 2.95Å; A1183-K1186 VanDerWaalsContact O-N 3.14Å; K1186-L1189 PolarHBondContact O-N 3.11Å; K1186-R1190 WeakPolarHBondContact O-CB 2.97Å; K1186-R1190 PolarHBondContact O-N 3.13Å; K1186-L1267 HydrophobicContact CD-CD2 4.15Å; K1186-L1267 HydrophobicContact CG-CD2 4.15Å; K1186-V1270 HydrophobicContact CD-CG2 4.46Å; K1186-V1270 WeakPolarHBondContact O-CG1 3.24Å
1187D91.3Very high92.6Very high4 Ų410.6 Ų10.62%0.0216%0.055CC..Hα-helixtrans-55.7-51.7172.9-82.521.3000111.6S1009 K1135 R1139 A1183 V1184 L1189 R1190 E1191S1009-D1187 WeakPolarHBondContact CB-OD2 3.38Å; S1009-D1187 PolarHBondContact OG-OD2 3.48Å; K1135-D1187 WeakPolarHBondContact CE-OD1 3.22Å; K1135-D1187 WeakPolarHBondContact CE-OD2 3.31Å; K1135-D1187 IonicContact NZ-OD1 3.66Å; K1135-D1187 PolarHBondContact NZ-OD1 2.99Å; K1135-D1187 IonicContact NZ-OD2 2.69Å; K1135-D1187 PolarHBondContact NZ-OD2 2.85Å; R1139-D1187 IonicContact NH1-OD2 2.73Å; A1183-D1187 PolarHBondContact O-N 2.67Å; V1184-D1187 WeakPolarHBondContact O-CB 3.39Å; V1184-D1187 PolarHBondContact O-N 3.33Å; D1187-L1189 PolarHBondContact O-N 2.84Å; D1187-R1190 WeakPolarHBondContact O-CB 3.25Å; D1187-R1190 PolarHBondContact O-N 2.93Å; D1187-R1190 VanDerWaalsContact O-N 3.12Å; D1187-R1190 IonicContact OD1-CZ 2.68Å; D1187-R1190 IonicContact OD1-NH1 2.61Å; D1187-R1190 IonicContact OD1-NH2 2.74Å; D1187-R1190 PolarHBondContact OD1-NH2 2.83Å; D1187-R1190 IonicContact OD2-NH2 3.43Å; D1187-E1191 WeakPolarHBondContact O-CB 3.48Å; D1187-E1191 WeakPolarHBondContact O-CG 3.3Å; D1187-E1191 PolarHBondContact O-N 3.42Å
1188F93.2Very high92.7Very high4 Ų410 Ų102%0.0185%0.052CC..Hα-helixtrans-53.6-50.9-179.8174.3-94.1000111.7L1066 F1067 L1074 F1107 I1108 V1184 F1185 R1190 E1191 L1192L1066-F1188 HydrophobicContact CD1-CE2 4.25Å; F1067-F1188 HydrophobicContact CD1-CB 4.06Å; F1067-F1188 HydrophobicContact CD1-CD2 4.18Å; F1067-F1188 HydrophobicContact CE1-CB 3.83Å; F1067-F1188 HydrophobicContact CE1-CD2 4.29Å; L1074-F1188 HydrophobicContact CD1-CE2 3.67Å; L1074-F1188 HydrophobicContact CD1-CZ 3.57Å; F1107-F1188 HydrophobicContact CD1-CB 4.19Å; F1107-F1188 HydrophobicContact CD1-CD1 4.03Å; F1107-F1188 AromaticContact CD1-CD2 3.74Å; F1107-F1188 HydrophobicContact CD1-CD2 3.74Å; F1107-F1188 HydrophobicContact CD1-CE1 4.39Å; F1107-F1188 HydrophobicContact CD1-CE2 4.11Å; F1107-F1188 AromaticContact CD1-CG 3.7Å; F1107-F1188 HydrophobicContact CD1-CG 3.7Å; F1107-F1188 HydrophobicContact CD1-CZ 4.43Å; F1107-F1188 HydrophobicContact CE1-CB 3.37Å; F1107-F1188 AromaticContact CE1-CD1 3.84Å; F1107-F1188 HydrophobicContact CE1-CD1 3.84Å; F1107-F1188 AromaticContact CE1-CD2 3.81Å; F1107-F1188 HydrophobicContact CE1-CD2 3.81Å; F1107-F1188 AromaticContact CE1-CG 3.38Å; F1107-F1188 HydrophobicContact CE1-CG 3.38Å; F1107-F1188 HydrophobicContact CZ-CB 3.85Å; F1107-F1188 HydrophobicContact CZ-CG 4.27Å; I1108-F1188 HydrophobicContact CD1-CE1 3.7Å; I1108-F1188 HydrophobicContact CD1-CZ 4.19Å; I1108-F1188 HydrophobicContact CG1-CD1 4.39Å; I1108-F1188 HydrophobicContact CG1-CE1 3.82Å; I1108-F1188 HydrophobicContact CG1-CZ 4.29Å; V1184-F1188 PolarHBondContact O-N 3.17Å; F1185-F1188 PolarHBondContact O-N 2.86Å; F1188-R1190 PolarHBondContact O-N 3.36Å; F1188-E1191 PolarHBondContact O-N 3.45Å; F1188-L1192 HydrophobicContact CE1-CD2 4.15Å; F1188-L1192 HydrophobicContact CE2-CD2 4.5Å; F1188-L1192 HydrophobicContact CZ-CD2 4Å; F1188-L1192 WeakPolarHBondContact O-CG 3.45Å; F1188-L1192 PolarHBondContact O-N 2.95Å
1189L93.9Very high92.5Very high2 Ų210.4 Ų10.41%0.016%0.055CC..Hα-helixtrans-67.8-31.3179.4-65.1176.5000113.3R1047 F1185 K1186 D1187 L1192 L1242 V1270 L1271R1047-L1189 PolarHBondContact NH1-O 2.93Å; F1185-L1189 HydrophobicContact CD1-CD1 4.09Å; F1185-L1189 HydrophobicContact CE1-CD1 3.47Å; F1185-L1189 VanDerWaalsContact CE1-CD1 3.47Å; F1185-L1189 HydrophobicContact CE1-CG 4.33Å; F1185-L1189 HydrophobicContact CZ-CD1 3.93Å; F1185-L1189 HydrophobicContact CZ-CG 4.49Å; F1185-L1189 PolarHBondContact O-N 3.14Å; K1186-L1189 PolarHBondContact O-N 3.11Å; D1187-L1189 PolarHBondContact O-N 2.84Å; L1189-L1192 HydrophobicContact CD2-CD1 4.08Å; L1189-L1242 HydrophobicContact CD2-CD1 4.48Å; L1189-V1270 HydrophobicContact CB-CG1 3.56Å; L1189-L1271 HydrophobicContact CD1-CD2 4.04Å
1190R90.1Very high92.3Very high13 Ų1312.7 Ų12.75%0.0498%0.078CC..Hα-helixtrans-68-35.9172.8174.8172.171.1-125.7-1.5112.1S1009 F1045 R1047 K1186 D1187 F1188 V1270S1009-R1190 PolarHBondContact OG-NH2 2.93Å; F1045-R1190 HydrophobicContact CD1-CG 3.87Å; F1045-R1190 HydrophobicContact CE1-CB 4.03Å; F1045-R1190 HydrophobicContact CE1-CG 3.6Å; F1045-R1190 HydrophobicContact CZ-CG 4.37Å; R1047-R1190 PolarHBondContact NH1-O 2.91Å; R1047-R1190 VanDerWaalsContact NH1-O 3.14Å; K1186-R1190 WeakPolarHBondContact O-CB 2.97Å; K1186-R1190 PolarHBondContact O-N 3.13Å; D1187-R1190 WeakPolarHBondContact O-CB 3.25Å; D1187-R1190 PolarHBondContact O-N 2.93Å; D1187-R1190 VanDerWaalsContact O-N 3.12Å; D1187-R1190 IonicContact OD1-CZ 2.68Å; D1187-R1190 IonicContact OD1-NH1 2.61Å; D1187-R1190 IonicContact OD1-NH2 2.74Å; D1187-R1190 PolarHBondContact OD1-NH2 2.83Å; D1187-R1190 IonicContact OD2-NH2 3.43Å; F1188-R1190 PolarHBondContact O-N 3.36Å; R1190-V1270 HydrophobicContact CB-CG1 4.26Å
1191E87.8Confident92.2Very high21 Ų2113.5 Ų13.510%0.0988%0.082CC..Hα-helixtrans-83.5-15.7-174.1-78.8175.2-115.900114.8L1008 S1009 F1067 G1068 R1139 D1187 F1188L1008-E1191 WeakPolarHBondContact O-CG 3.48Å; S1009-E1191 WeakPolarHBondContact CB-OE1 3.39Å; S1009-E1191 PolarHBondContact N-OE1 2.7Å; S1009-E1191 PolarHBondContact N-OE2 2.85Å; S1009-E1191 VanDerWaalsContact N-OE2 3.08Å; S1009-E1191 PolarHBondContact OG-OE1 2.69Å; F1067-E1191 WeakPolarHBondContact CB-OE2 3.42Å; G1068-E1191 WeakPolarHBondContact CA-O 3.36Å; R1139-E1191 IonicContact CZ-OE1 2.71Å; R1139-E1191 IonicContact CZ-OE2 2.73Å; R1139-E1191 IonicContact NH1-OE1 3.81Å; R1139-E1191 PolarHBondContact NH1-OE1 3.04Å; R1139-E1191 IonicContact NH1-OE2 3.55Å; R1139-E1191 PolarHBondContact NH1-OE2 2.75Å; R1139-E1191 IonicContact NH2-OE1 3.6Å; R1139-E1191 IonicContact NH2-OE2 3.54Å; R1139-E1191 PolarHBondContact NH2-OE2 3.45Å; D1187-E1191 WeakPolarHBondContact O-CB 3.48Å; D1187-E1191 WeakPolarHBondContact O-CG 3.3Å; D1187-E1191 PolarHBondContact O-N 3.42Å; F1188-E1191 PolarHBondContact O-N 3.45Å
1192L89.9Confident92.1Very high4 Ų413.5 Ų13.52%0.0218%0.082CC..SBendtrans-53.2137175.5-64.9175.2000111.4R1047 I1071 F1188 L1189 E1194R1047-L1192 VanDerWaalsContact CD-O 3.24Å; R1047-L1192 WeakPolarHBondContact CD-O 3.4Å; R1047-L1192 WeakPolarHBondContact CG-O 3.29Å; R1047-L1192 PolarHBondContact NH1-O 2.88Å; I1071-L1192 HydrophobicContact CD1-CD1 4.06Å; I1071-L1192 HydrophobicContact CG1-CD1 4.12Å; I1071-L1192 HydrophobicContact CG1-CD2 4.16Å; F1188-L1192 HydrophobicContact CE1-CD2 4.15Å; F1188-L1192 HydrophobicContact CE2-CD2 4.5Å; F1188-L1192 HydrophobicContact CZ-CD2 4Å; F1188-L1192 WeakPolarHBondContact O-CG 3.45Å; F1188-L1192 PolarHBondContact O-N 2.95Å; L1189-L1192 HydrophobicContact CD2-CD1 4.08Å; L1192-E1194 VanDerWaalsContact CB-O 3.24Å; L1192-E1194 WeakPolarHBondContact CB-O 3.35Å; L1192-E1194 PolarHBondContact O-N 2.89Å
1193P87.9Confident91.8Very high29 Ų2914.9 Ų14.919%0.1889%0.092CC..SBendtrans-56.9-19.1177.9-27.935.6000115.4Q1049 V1069Q1049-P1193 WeakPolarHBondContact CG-O 3.42Å; Q1049-P1193 PolarHBondContact NE2-O 3.28Å; Q1049-P1193 VanDerWaalsContact NE2-O 3.11Å; V1069-P1193 VanDerWaalsContact O-CD 3.29Å; V1069-P1193 WeakPolarHBondContact O-CD 3.37Å
1194E88.8Confident91.7Very high67 Ų6718.4 Ų18.431%0.31311%0.106SC..SBendtrans-135.1145.7169-163.7178.3-160.300109.7L1192 T1198 S1199L1192-E1194 VanDerWaalsContact CB-O 3.24Å; L1192-E1194 WeakPolarHBondContact CB-O 3.35Å; L1192-E1194 PolarHBondContact O-N 2.89Å; E1194-T1198 WeakPolarHBondContact OE1-CA 3.4Å; E1194-T1198 VanDerWaalsContact OE1-CB 3.32Å; E1194-T1198 WeakPolarHBondContact OE1-CB 3.4Å; E1194-S1199 PolarHBondContact OE1-N 3.33Å
1195P92.9Very high91.6Very high0 Ų018.4 Ų18.40%011%0.106CC..  trans-55.2149.2165.624.4-36.7000112.1F1197 T1198 S1199 L1271P1195-F1197 VanDerWaalsContact C-N 3.26Å; P1195-F1197 PolarHBondContact O-N 3.48Å; P1195-T1198 WeakPolarHBondContact O-CA 3.47Å; P1195-T1198 PolarHBondContact O-N 3.49Å; P1195-S1199 WeakPolarHBondContact CD-OG 3.22Å; P1195-L1271 WeakPolarHBondContact CB-O 3.16Å
1196L93.5Very high91.3Very high2 Ų220.5 Ų20.51%0.0112%0.115CC..THydrogen-bonded Turntrans-59.5-35.5-177.3-17761.1000112.8I1071 T1198 N1235 I1238 L1239 L1242 L1271I1071-L1196 HydrophobicContact CD1-CD1 3.63Å; L1196-T1198 PolarHBondContact O-N 3.1Å; L1196-N1235 HydrophobicContact CD1-CB 4.16Å; L1196-N1235 PolarHBondContact O-ND2 3.48Å; L1196-N1235 VanDerWaalsContact O-ND2 3.12Å; L1196-I1238 HydrophobicContact CD1-CB 4.27Å; L1196-I1238 HydrophobicContact CD1-CG2 4.06Å; L1196-I1238 HydrophobicContact CD2-CG2 4.2Å; L1196-L1239 HydrophobicContact CD2-CB 4.11Å; L1196-L1239 HydrophobicContact CD2-CD1 3.84Å; L1196-L1239 HydrophobicContact CG-CB 4.24Å; L1196-L1239 HydrophobicContact CG-CD1 4.33Å; L1196-L1242 HydrophobicContact CD2-CD1 3.93Å; L1196-L1271 HydrophobicContact CB-CD2 4.29Å; L1196-L1271 HydrophobicContact CD2-CD2 4.08Å
1197F93Very high91Very high0 Ų023.6 Ų23.60%013%0.132CC..THydrogen-bonded Turntrans-761.3174.2-81.2-92.8000114.7P1195 F1205 L1228 L1239 L1271 F1272 F1296 I1299P1195-F1197 VanDerWaalsContact C-N 3.26Å; P1195-F1197 PolarHBondContact O-N 3.48Å; F1197-F1205 HydrophobicContact CD1-CD2 4.34Å; F1197-F1205 AromaticContact CD1-CE2 3.69Å; F1197-F1205 HydrophobicContact CD1-CE2 3.69Å; F1197-F1205 AromaticContact CD1-CZ 3.81Å; F1197-F1205 HydrophobicContact CD1-CZ 3.81Å; F1197-F1205 HydrophobicContact CE1-CE2 4.46Å; F1197-F1205 HydrophobicContact CE1-CZ 4.16Å; F1197-L1228 HydrophobicContact CD1-CD2 4.43Å; F1197-L1228 HydrophobicContact CE1-CD2 3.79Å; F1197-L1239 HydrophobicContact CD1-CD2 4.08Å; F1197-L1239 HydrophobicContact CD2-CD1 4.31Å; F1197-L1239 HydrophobicContact CE1-CD1 4.46Å; F1197-L1239 HydrophobicContact CE1-CD2 3.7Å; F1197-L1239 HydrophobicContact CE2-CD1 3.58Å; F1197-L1239 HydrophobicContact CE2-CD2 4.18Å; F1197-L1239 HydrophobicContact CG-CD2 4.5Å; F1197-L1239 HydrophobicContact CZ-CD1 3.68Å; F1197-L1239 HydrophobicContact CZ-CD2 3.76Å; F1197-L1239 HydrophobicContact CZ-CG 4.34Å; F1197-L1271 HydrophobicContact CD2-CB 3.92Å; F1197-L1271 HydrophobicContact CE2-CB 4.04Å; F1197-L1271 HydrophobicContact CE2-CD1 4.33Å; F1197-L1271 PolarHBondContact N-O 2.81Å; F1197-F1272 HydrophobicContact CB-CD1 3.69Å; F1197-F1272 HydrophobicContact CB-CE1 3.61Å; F1197-F1272 HydrophobicContact CB-CG 4.43Å; F1197-F1272 HydrophobicContact CB-CZ 4.25Å; F1197-F1272 HydrophobicContact CD1-CD1 4.33Å; F1197-F1272 AromaticContact CD1-CE1 3.39Å; F1197-F1272 HydrophobicContact CD1-CE1 3.39Å; F1197-F1272 HydrophobicContact CD1-CE2 4.36Å; F1197-F1272 AromaticContact CD1-CZ 3.42Å; F1197-F1272 HydrophobicContact CD1-CZ 3.42Å; F1197-F1272 VanDerWaalsContact CD1-CZ 3.42Å; F1197-F1272 HydrophobicContact CD2-CD1 4.28Å; F1197-F1272 HydrophobicContact CD2-CD2 4.24Å; F1197-F1272 AromaticContact CD2-CE1 3.93Å; F1197-F1272 HydrophobicContact CD2-CE1 3.93Å; F1197-F1272 AromaticContact CD2-CE2 3.82Å; F1197-F1272 HydrophobicContact CD2-CE2 3.82Å; F1197-F1272 HydrophobicContact CD2-CG 4.45Å; F1197-F1272 AromaticContact CD2-CZ 3.68Å; F1197-F1272 HydrophobicContact CD2-CZ 3.68Å; F1197-F1272 AromaticContact CE1-CE1 3.95Å; F1197-F1272 HydrophobicContact CE1-CE1 3.95Å; F1197-F1272 HydrophobicContact CE1-CE2 4.29Å; F1197-F1272 AromaticContact CE1-CZ 3.47Å; F1197-F1272 HydrophobicContact CE1-CZ 3.47Å; F1197-F1272 VanDerWaalsContact CE1-CZ 3.47Å; F1197-F1272 HydrophobicContact CE2-CD2 4.49Å; F1197-F1272 HydrophobicContact CE2-CE1 4.43Å; F1197-F1272 AromaticContact CE2-CE2 3.75Å; F1197-F1272 HydrophobicContact CE2-CE2 3.75Å; F1197-F1272 AromaticContact CE2-CZ 3.73Å; F1197-F1272 HydrophobicContact CE2-CZ 3.73Å; F1197-F1272 AromaticContact CG-CD1 3.86Å; F1197-F1272 HydrophobicContact CG-CD1 3.86Å; F1197-F1272 AromaticContact CG-CE1 3.36Å; F1197-F1272 HydrophobicContact CG-CE1 3.36Å; F1197-F1272 HydrophobicContact CG-CE2 4.12Å; F1197-F1272 HydrophobicContact CG-CG 4.46Å; F1197-F1272 AromaticContact CG-CZ 3.51Å; F1197-F1272 HydrophobicContact CG-CZ 3.51Å; F1197-F1272 HydrophobicContact CZ-CE1 4.43Å; F1197-F1272 AromaticContact CZ-CE2 3.99Å; F1197-F1272 HydrophobicContact CZ-CE2 3.99Å; F1197-F1272 AromaticContact CZ-CZ 3.62Å; F1197-F1272 HydrophobicContact CZ-CZ 3.62Å; F1197-F1296 HydrophobicContact CE2-CD2 4.04Å; F1197-F1296 AromaticContact CE2-CE2 3.94Å; F1197-F1296 HydrophobicContact CE2-CE2 3.94Å; F1197-F1296 AromaticContact CZ-CD2 3.92Å; F1197-F1296 HydrophobicContact CZ-CD2 3.92Å; F1197-F1296 AromaticContact CZ-CE2 3.92Å; F1197-F1296 HydrophobicContact CZ-CE2 3.92Å; F1197-I1299 HydrophobicContact CE1-CD1 3.76Å; F1197-I1299 HydrophobicContact CZ-CD1 4.11Å
1198T92.3Very high90.8Very high5 Ų523.4 Ų23.43%0.03113%0.131CC..  trans63151.2-169.475.20000114.6E1194 P1195 L1196 A1200 L1201 L1231 P1232E1194-T1198 WeakPolarHBondContact OE1-CA 3.4Å; E1194-T1198 VanDerWaalsContact OE1-CB 3.32Å; E1194-T1198 WeakPolarHBondContact OE1-CB 3.4Å; P1195-T1198 WeakPolarHBondContact O-CA 3.47Å; P1195-T1198 PolarHBondContact O-N 3.49Å; L1196-T1198 PolarHBondContact O-N 3.1Å; T1198-A1200 VanDerWaalsContact C-N 3.26Å; T1198-L1201 WeakPolarHBondContact OG1-CB 3.33Å; T1198-L1201 VanDerWaalsContact OG1-CG 3.3Å; T1198-L1201 WeakPolarHBondContact OG1-CG 3.32Å; T1198-L1201 PolarHBondContact OG1-N 3.33Å; T1198-L1201 VanDerWaalsContact OG1-N 3.15Å; T1198-L1231 HydrophobicContact CG2-CD2 3.91Å; T1198-P1232 HydrophobicContact CG2-CG 4Å
1199S90.6Very high90.3Very high11 Ų1125.3 Ų25.38%0.07714%0.14CC..THydrogen-bonded Turntrans-74.6-22.2173.8-54.80000111.5E1194 P1195E1194-S1199 PolarHBondContact OE1-N 3.33Å; P1195-S1199 WeakPolarHBondContact CD-OG 3.22Å
1200A89.1Confident89.7Confident73 Ų7330.7 Ų30.760%0.60317%0.166SC*.THydrogen-bonded Turntrans-80.6-37.5-177.300000113.7T1198T1198-A1200 VanDerWaalsContact C-N 3.26Å
1201L92.1Very high89Confident17 Ų1734.8 Ų34.89%0.08919%0.187CC..THydrogen-bonded Turntrans-84-21-179.7-57.8-178.4000113.5T1198 M1204 F1205 I1227 C1230 L1231T1198-L1201 WeakPolarHBondContact OG1-CB 3.33Å; T1198-L1201 VanDerWaalsContact OG1-CG 3.3Å; T1198-L1201 WeakPolarHBondContact OG1-CG 3.32Å; T1198-L1201 PolarHBondContact OG1-N 3.33Å; T1198-L1201 VanDerWaalsContact OG1-N 3.15Å; L1201-M1204 HydrophobicContact CD2-CE 3.35Å; L1201-M1204 HydrophobicContact CG-CE 4.49Å; L1201-M1204 WeakPolarHBondContact O-CB 3.2Å; L1201-M1204 PolarHBondContact O-N 2.74Å; L1201-F1205 HydrophobicContact CB-CD2 4.08Å; L1201-F1205 HydrophobicContact CB-CE2 3.77Å; L1201-F1205 HydrophobicContact CD1-CE2 4.44Å; L1201-F1205 WeakPolarHBondContact O-CD2 3.48Å; L1201-F1205 PolarHBondContact O-N 2.9Å; L1201-I1227 HydrophobicContact CB-CG2 4.1Å; L1201-I1227 HydrophobicContact CD1-CG2 4.28Å; L1201-I1227 HydrophobicContact CD2-CG2 4.44Å; L1201-C1230 HydrophobicContact CD2-CB 4.35Å; L1201-L1231 HydrophobicContact CD1-CB 4.45Å; L1201-L1231 HydrophobicContact CD1-CD2 3.59Å; L1201-L1231 HydrophobicContact CD1-CG 3.73Å
1202Y92.1Very high88Confident0 Ų034.7 Ų34.70%019%0.19CC..Hα-helixtrans-52.1-44.6-176.5170.2-119.8000114.9M1204 F1205 Y1206 F1272 P1274 L1282 I1286 L1287 M1292 I1295Y1202-M1204 VanDerWaalsContact C-N 3.32Å; Y1202-M1204 PolarHBondContact O-N 2.87Å; Y1202-F1205 PolarHBondContact O-N 3.29Å; Y1202-Y1206 PolarHBondContact O-N 3.45Å; Y1202-Y1206 VanDerWaalsContact O-N 3.11Å; Y1202-F1272 HydrophobicContact CD2-CB 4.07Å; Y1202-F1272 AromaticContact CD2-CD1 3.55Å; Y1202-F1272 HydrophobicContact CD2-CD1 3.55Å; Y1202-F1272 HydrophobicContact CD2-CE1 4.37Å; Y1202-F1272 HydrophobicContact CD2-CG 4.15Å; Y1202-F1272 HydrophobicContact CE2-CB 4.2Å; Y1202-F1272 HydrophobicContact CE2-CD1 4.22Å; Y1202-F1272 HydrophobicContact CE2-CG 4.44Å; Y1202-F1272 HydrophobicContact CG-CD1 4.4Å; Y1202-P1274 HydrophobicContact CD1-CG 4.39Å; Y1202-L1282 HydrophobicContact CD1-CD1 4.18Å; Y1202-L1282 HydrophobicContact CE1-CD1 4.41Å; Y1202-I1286 HydrophobicContact CE1-CG2 3.97Å; Y1202-I1286 PolarHBondContact OH-O 3.17Å; Y1202-L1287 HydrophobicContact CE1-CD2 4Å; Y1202-M1292 HydrophobicContact CE1-CE 4.07Å; Y1202-M1292 HydrophobicContact CE2-CE 4.37Å; Y1202-M1292 HydrophobicContact CE2-CG 3.99Å; Y1202-M1292 VanDerWaalsContact OH-CE 3.25Å; Y1202-M1292 WeakPolarHBondContact OH-CE 3.36Å; Y1202-M1292 WeakPolarHBondContact OH-CG 3.46Å; Y1202-I1295 HydrophobicContact CD2-CD1 4.34Å; Y1202-I1295 HydrophobicContact CE2-CD1 3.75Å
1203P91Very high86.4Confident31 Ų3139.4 Ų39.420%0.20122%0.215CC..Hα-helixtrans-60.5-38.8174.6-24.235.9000113F1205 Y1206 D1207 L1282P1203-F1205 PolarHBondContact O-N 2.9Å; P1203-Y1206 WeakPolarHBondContact O-CB 3.47Å; P1203-Y1206 PolarHBondContact O-N 2.73Å; P1203-Y1206 VanDerWaalsContact O-N 3.16Å; P1203-D1207 PolarHBondContact O-N 3.12Å; P1203-L1282 HydrophobicContact CB-CD2 4.49Å; P1203-L1282 HydrophobicContact CG-CD1 4.34Å; P1203-L1282 HydrophobicContact CG-CD2 3.65Å
1204M91Very high85Confident90 Ų9044.2 Ų44.244%0.44325%0.246SC..Hα-helixtrans-69.1-32177.9-67.5-174.5-73.900112.5L1201 Y1202 A1208 I1227L1201-M1204 HydrophobicContact CD2-CE 3.35Å; L1201-M1204 HydrophobicContact CG-CE 4.49Å; L1201-M1204 WeakPolarHBondContact O-CB 3.2Å; L1201-M1204 PolarHBondContact O-N 2.74Å; Y1202-M1204 VanDerWaalsContact C-N 3.32Å; Y1202-M1204 PolarHBondContact O-N 2.87Å; M1204-A1208 WeakPolarHBondContact O-CB 3.34Å; M1204-A1208 PolarHBondContact O-N 2.9Å; M1204-I1227 HydrophobicContact CB-CD1 4.06Å; M1204-I1227 WeakPolarHBondContact O-CD1 3.41Å
1205F91.6Very high83.4Confident0 Ų044.4 Ų44.40%027%0.266CS..Hα-helixtrans-65.1-39.1169.8-76.3-69.3000112.2F1197 L1201 Y1202 P1203 M1209 V1224 I1227 L1228 F1272 I1295 I1299F1197-F1205 HydrophobicContact CD1-CD2 4.34Å; F1197-F1205 AromaticContact CD1-CE2 3.69Å; F1197-F1205 HydrophobicContact CD1-CE2 3.69Å; F1197-F1205 AromaticContact CD1-CZ 3.81Å; F1197-F1205 HydrophobicContact CD1-CZ 3.81Å; F1197-F1205 HydrophobicContact CE1-CE2 4.46Å; F1197-F1205 HydrophobicContact CE1-CZ 4.16Å; L1201-F1205 HydrophobicContact CB-CD2 4.08Å; L1201-F1205 HydrophobicContact CB-CE2 3.77Å; L1201-F1205 HydrophobicContact CD1-CE2 4.44Å; L1201-F1205 WeakPolarHBondContact O-CD2 3.48Å; L1201-F1205 PolarHBondContact O-N 2.9Å; Y1202-F1205 PolarHBondContact O-N 3.29Å; P1203-F1205 PolarHBondContact O-N 2.9Å; F1205-M1209 WeakPolarHBondContact O-CG 2.89Å; F1205-M1209 PolarHBondContact O-N 3.31Å; F1205-M1209 VanDerWaalsContact O-N 3.16Å; F1205-V1224 HydrophobicContact CD1-CG1 4.19Å; F1205-V1224 HydrophobicContact CE1-CG1 4.12Å; F1205-I1227 HydrophobicContact CD1-CB 4.39Å; F1205-I1227 HydrophobicContact CD1-CG2 4.09Å; F1205-I1227 HydrophobicContact CD2-CG2 3.96Å; F1205-I1227 HydrophobicContact CE1-CB 3.93Å; F1205-I1227 HydrophobicContact CE1-CG2 3.72Å; F1205-I1227 HydrophobicContact CE2-CG2 3.58Å; F1205-I1227 HydrophobicContact CG-CG2 4.2Å; F1205-I1227 HydrophobicContact CZ-CB 4.07Å; F1205-I1227 HydrophobicContact CZ-CG2 3.46Å; F1205-I1227 VanDerWaalsContact CZ-CG2 3.46Å; F1205-L1228 HydrophobicContact CE1-CD2 4.31Å; F1205-L1228 HydrophobicContact CE1-CG 4.07Å; F1205-L1228 HydrophobicContact CZ-CD2 4.01Å; F1205-L1228 HydrophobicContact CZ-CG 4.1Å; F1205-F1272 HydrophobicContact CB-CE1 4.49Å; F1205-F1272 HydrophobicContact CD2-CE1 4.04Å; F1205-F1272 HydrophobicContact CG-CE1 4.28Å; F1205-I1295 HydrophobicContact CB-CG2 3.9Å; F1205-I1295 HydrophobicContact CG-CG2 4.5Å; F1205-I1299 HydrophobicContact CD1-CD1 4.28Å; F1205-I1299 HydrophobicContact CE1-CD1 4.28Å
1206Y90Very high81.6Confident44 Ų4451 Ų5117%0.17330%0.295CS..Hα-helixtrans-66.5-45.6175.2-179.4-100.3000111.9Y1202 P1203 M1209 Q1210 I1286 K1291 I1295Y1202-Y1206 PolarHBondContact O-N 3.45Å; Y1202-Y1206 VanDerWaalsContact O-N 3.11Å; P1203-Y1206 WeakPolarHBondContact O-CB 3.47Å; P1203-Y1206 PolarHBondContact O-N 2.73Å; P1203-Y1206 VanDerWaalsContact O-N 3.16Å; Y1206-M1209 PolarHBondContact O-N 2.78Å; Y1206-Q1210 HydrophobicContact CD1-CG 4.47Å; Y1206-Q1210 VanDerWaalsContact CD1-NE2 3.29Å; Y1206-Q1210 HydrophobicContact CE1-CG 4.13Å; Y1206-Q1210 PolarHBondContact O-N 3.47Å; Y1206-I1286 HydrophobicContact CD1-CD1 3.98Å; Y1206-I1286 HydrophobicContact CD1-CG1 4Å; Y1206-I1286 HydrophobicContact CD1-CG2 3.95Å; Y1206-I1286 HydrophobicContact CD2-CG2 3.91Å; Y1206-I1286 HydrophobicContact CE1-CD1 3.95Å; Y1206-I1286 HydrophobicContact CE1-CG1 3.66Å; Y1206-I1286 HydrophobicContact CE1-CG2 4.31Å; Y1206-I1286 HydrophobicContact CE2-CG2 4.27Å; Y1206-I1286 HydrophobicContact CG-CG2 3.74Å; Y1206-K1291 HydrophobicContact CD2-CB 4.42Å; Y1206-K1291 HydrophobicContact CE2-CB 4.14Å; Y1206-K1291 HydrophobicContact CE2-CD 4.45Å; Y1206-K1291 HydrophobicContact CE2-CG 4.13Å; Y1206-I1295 HydrophobicContact CD2-CD1 4.27Å
1207D88.3Confident80.3Confident78 Ų7854.6 Ų54.642%0.41732%0.317SS..Hα-helixtrans-63.8-42176.2-68.6-20.7000112.4P1203 M1209 Q1210 I1211P1203-D1207 PolarHBondContact O-N 3.12Å; D1207-M1209 PolarHBondContact O-N 3.36Å; D1207-Q1210 PolarHBondContact O-N 2.7Å; D1207-Q1210 PolarHBondContact OD1-NE2 3.25Å; D1207-I1211 WeakPolarHBondContact O-CD1 3.42Å; D1207-I1211 VanDerWaalsContact O-CG1 3.31Å; D1207-I1211 WeakPolarHBondContact O-CG1 3.22Å; D1207-I1211 PolarHBondContact O-N 3.4Å
1208A87Confident79.3Confident1 Ų162.7 Ų62.71%0.00836%0.355CS..Hα-helixtrans-60.2-32.7174.300000112.6M1204 A1212 L1223 V1224 I1227M1204-A1208 WeakPolarHBondContact O-CB 3.34Å; M1204-A1208 PolarHBondContact O-N 2.9Å; A1208-A1212 PolarHBondContact O-N 3.01Å; A1208-L1223 HydrophobicContact CB-CB 4.45Å; A1208-L1223 HydrophobicContact CB-CD2 3.61Å; A1208-L1223 HydrophobicContact CB-CG 3.73Å; A1208-V1224 HydrophobicContact CB-CG2 3.8Å; A1208-I1227 HydrophobicContact CB-CD1 3.8Å
1209M83.7Confident78.3Confident43 Ų4365.7 Ų65.721%0.21238%0.376CS..Hα-helixtrans-76.7-34.4175.6-79.6-97.764.200113.4F1205 Y1206 D1207 I1211 A1212 I1295 F1298F1205-M1209 WeakPolarHBondContact O-CG 2.89Å; F1205-M1209 PolarHBondContact O-N 3.31Å; F1205-M1209 VanDerWaalsContact O-N 3.16Å; Y1206-M1209 PolarHBondContact O-N 2.78Å; D1207-M1209 PolarHBondContact O-N 3.36Å; M1209-I1211 VanDerWaalsContact C-N 3.26Å; M1209-I1211 PolarHBondContact O-N 2.87Å; M1209-A1212 HydrophobicContact CE-CB 3.57Å; M1209-A1212 WeakPolarHBondContact O-CB 3.33Å; M1209-A1212 PolarHBondContact O-N 2.87Å; M1209-I1295 HydrophobicContact CB-CG1 4.42Å; M1209-I1295 HydrophobicContact CG-CB 4.46Å; M1209-I1295 HydrophobicContact CG-CG1 3.97Å; M1209-F1298 HydrophobicContact CE-CB 3.8Å; M1209-F1298 HydrophobicContact CE-CD1 3.48Å; M1209-F1298 VanDerWaalsContact CE-CD1 3.48Å; M1209-F1298 HydrophobicContact CE-CD2 3.73Å; M1209-F1298 HydrophobicContact CE-CE1 3.9Å; M1209-F1298 HydrophobicContact CE-CE2 4.12Å; M1209-F1298 HydrophobicContact CE-CG 3.38Å; M1209-F1298 HydrophobicContact CE-CZ 4.19Å; M1209-F1298 HydrophobicContact SD-CB 3.35Å; M1209-F1298 WeakPolarHBondContact SD-CB 3.41Å; M1209-F1298 HydrophobicContact SD-CD1 3.69Å; M1209-F1298 HydrophobicContact SD-CD2 4.44Å; M1209-F1298 HydrophobicContact SD-CG 3.59Å; M1209-F1298 VanDerWaalsContact SD-CG 3.59Å
1210Q80.5Confident77.7Confident116 Ų11665.1 Ų65.154%0.54237%0.372SS..Hα-helixtrans-63-33.6170-68.2177.892.300112.1Y1206 D1207 A1212Y1206-Q1210 HydrophobicContact CD1-CG 4.47Å; Y1206-Q1210 VanDerWaalsContact CD1-NE2 3.29Å; Y1206-Q1210 HydrophobicContact CE1-CG 4.13Å; Y1206-Q1210 PolarHBondContact O-N 3.47Å; D1207-Q1210 PolarHBondContact O-N 2.7Å; D1207-Q1210 PolarHBondContact OD1-NE2 3.25Å; Q1210-A1212 VanDerWaalsContact C-N 3.32Å
1211I75.7Confident77.4Confident98 Ų9862.3 Ų62.350%0.50335%0.349SS..Hα-helixtrans-76.8-17178.1-65.4163.8000112.3D1207 M1209 L1213 L1223D1207-I1211 WeakPolarHBondContact O-CD1 3.42Å; D1207-I1211 VanDerWaalsContact O-CG1 3.31Å; D1207-I1211 WeakPolarHBondContact O-CG1 3.22Å; D1207-I1211 PolarHBondContact O-N 3.4Å; M1209-I1211 VanDerWaalsContact C-N 3.26Å; M1209-I1211 PolarHBondContact O-N 2.87Å; I1211-L1213 PolarHBondContact O-N 3.38Å; I1211-L1223 HydrophobicContact CD1-CD2 4.31Å
1212A68.2Low77.1Confident20 Ų2068.1 Ų68.117%0.16537%0.373CS..  trans-76.262.3-177.500000113.2A1208 M1209 Q1210A1208-A1212 PolarHBondContact O-N 3.01Å; M1209-A1212 HydrophobicContact CE-CB 3.57Å; M1209-A1212 WeakPolarHBondContact O-CB 3.33Å; M1209-A1212 PolarHBondContact O-N 2.87Å; Q1210-A1212 VanDerWaalsContact C-N 3.32Å
1213L55.8Low76.8Confident103 Ų10371 Ų7154%0.53939%0.389SS..  trans-53.5140.6179-72.3166.5000112.5I1211 G1215 F1216I1211-L1213 PolarHBondContact O-N 3.38Å; L1213-G1215 PolarHBondContact O-N 2.79Å; L1213-G1215 VanDerWaalsContact O-N 3.1Å; L1213-F1216 HydrophobicContact CB-CB 4.43Å; L1213-F1216 HydrophobicContact CB-CD2 4.17Å; L1213-F1216 PolarHBondContact O-N 2.83Å
1214P57.2Low76.7Confident129 Ų12969.6 Ų69.684%0.83838%0.379SS*.THydrogen-bonded Turntrans-54.1117.6172.7-2634.9000111.6
1215G55.4Low76.6Confident72 Ų7268.3 Ų68.374%0.74237%0.374SS*.THydrogen-bonded Turntrans102.4-17.6-175.100000115.3L1213L1213-G1215 PolarHBondContact O-N 2.79Å; L1213-G1215 VanDerWaalsContact O-N 3.1Å
1216F56.7Low76.5Confident139 Ų13972 Ų7261%0.6139%0.394SS*.  trans-110.324.1176.7-68.5-78000113L1213 Q1218 S1219L1213-F1216 HydrophobicContact CB-CB 4.43Å; L1213-F1216 HydrophobicContact CB-CD2 4.17Å; L1213-F1216 PolarHBondContact O-N 2.83Å; F1216-Q1218 PolarHBondContact O-N 3.17Å; F1216-S1219 PolarHBondContact O-N 3.09Å; F1216-S1219 PolarHBondContact O-OG 2.83Å
1217T65.9Low76.6Confident76 Ų7670.6 Ų70.647%0.46639%0.389SS..Hα-helixtrans-52.6-30.4-173.354.10000114.4S1219 A1221T1217-S1219 PolarHBondContact O-N 3.06Å; T1217-A1221 WeakPolarHBondContact O-CB 3.38Å; T1217-A1221 PolarHBondContact O-N 2.91Å
1218Q70.7Confident76.7Confident171 Ų17167.5 Ų67.580%0.79937%0.372SS*.Hα-helixtrans-64.6-32.8177.5-64.6-174.85.200114.1F1216 K1222F1216-Q1218 PolarHBondContact O-N 3.17Å; Q1218-K1222 WeakPolarHBondContact O-CB 3.17Å; Q1218-K1222 PolarHBondContact O-N 2.78Å
1219S72Confident76.9Confident67 Ų6772.6 Ų72.647%0.46940%0.4SS..Hα-helixtrans-75.2-43.2178.163.30000111.2F1216 T1217 K1222 L1223F1216-S1219 PolarHBondContact O-N 3.09Å; F1216-S1219 PolarHBondContact O-OG 2.83Å; T1217-S1219 PolarHBondContact O-N 3.06Å; S1219-K1222 PolarHBondContact O-N 2.86Å; S1219-L1223 WeakPolarHBondContact O-CB 3.49Å; S1219-L1223 PolarHBondContact O-N 2.77Å
1220G78Confident77.3Confident0 Ų074.8 Ų74.80%042%0.418CS..Hα-helixtrans-60.9-43.5171.500000112.2K1222 L1223 V1224G1220-K1222 PolarHBondContact O-N 2.82Å; G1220-L1223 PolarHBondContact O-N 2.68Å; G1220-V1224 WeakPolarHBondContact O-CG2 3.38Å; G1220-V1224 PolarHBondContact O-N 2.61Å
1221A82.7Confident77.9Confident14 Ų1469.8 Ų69.812%0.11640%0.395CS..Hα-helixtrans-59.4-4717600000111.7T1217 L1223 V1224 L1225 F1298 I1302T1217-A1221 WeakPolarHBondContact O-CB 3.38Å; T1217-A1221 PolarHBondContact O-N 2.91Å; A1221-L1223 VanDerWaalsContact C-N 3.34Å; A1221-L1223 PolarHBondContact O-N 3.15Å; A1221-V1224 PolarHBondContact O-N 2.73Å; A1221-L1225 WeakPolarHBondContact O-CB 3.36Å; A1221-L1225 VanDerWaalsContact O-CG 3.28Å; A1221-L1225 WeakPolarHBondContact O-CG 3.33Å; A1221-L1225 PolarHBondContact O-N 3.1Å; A1221-F1298 HydrophobicContact CB-CE1 4.48Å; A1221-F1298 HydrophobicContact CB-CZ 4.07Å; A1221-I1302 HydrophobicContact CB-CB 4.28Å; A1221-I1302 HydrophobicContact CB-CD1 4.01Å; A1221-I1302 HydrophobicContact CB-CG2 3.75Å
1222K84.7Confident78.7Confident138 Ų13868 Ų6860%0.639%0.39SS*.Hα-helixtrans-63.5-38.6176.1-174.5171-177.5174.70112.2Q1218 S1219 G1220 N1226Q1218-K1222 WeakPolarHBondContact O-CB 3.17Å; Q1218-K1222 PolarHBondContact O-N 2.78Å; S1219-K1222 PolarHBondContact O-N 2.86Å; G1220-K1222 PolarHBondContact O-N 2.82Å; K1222-N1226 WeakPolarHBondContact O-CB 3.33Å; K1222-N1226 PolarHBondContact O-N 3.09Å; K1222-N1226 PolarHBondContact O-OD1 2.86Å
1223L87.3Confident79.8Confident62 Ų6269.9 Ų69.933%0.32541%0.406SS..Hα-helixtrans-64.9-45.5176.3-179.457.8000111.6A1208 I1211 S1219 G1220 A1221 L1225 N1226 I1227A1208-L1223 HydrophobicContact CB-CB 4.45Å; A1208-L1223 HydrophobicContact CB-CD2 3.61Å; A1208-L1223 HydrophobicContact CB-CG 3.73Å; I1211-L1223 HydrophobicContact CD1-CD2 4.31Å; S1219-L1223 WeakPolarHBondContact O-CB 3.49Å; S1219-L1223 PolarHBondContact O-N 2.77Å; G1220-L1223 PolarHBondContact O-N 2.68Å; A1221-L1223 VanDerWaalsContact C-N 3.34Å; A1221-L1223 PolarHBondContact O-N 3.15Å; L1223-L1225 PolarHBondContact O-N 2.89Å; L1223-N1226 WeakPolarHBondContact O-CB 3.45Å; L1223-N1226 PolarHBondContact O-N 3.19Å; L1223-I1227 HydrophobicContact CD1-CD1 4.28Å; L1223-I1227 HydrophobicContact CG-CD1 4.13Å; L1223-I1227 WeakPolarHBondContact O-CD1 3.32Å; L1223-I1227 VanDerWaalsContact O-CG1 3.27Å; L1223-I1227 WeakPolarHBondContact O-CG1 3.38Å; L1223-I1227 PolarHBondContact O-N 3.26Å
1224V89.1Confident81.4Confident0 Ų066.1 Ų66.10%039%0.386CS..Hα-helixtrans-63-39.9176.7168.70000112F1205 A1208 G1220 A1221 I1227 L1228 F1298 I1299 I1302F1205-V1224 HydrophobicContact CD1-CG1 4.19Å; F1205-V1224 HydrophobicContact CE1-CG1 4.12Å; A1208-V1224 HydrophobicContact CB-CG2 3.8Å; G1220-V1224 WeakPolarHBondContact O-CG2 3.38Å; G1220-V1224 PolarHBondContact O-N 2.61Å; A1221-V1224 PolarHBondContact O-N 2.73Å; V1224-I1227 PolarHBondContact O-N 3.05Å; V1224-L1228 PolarHBondContact O-N 3.47Å; V1224-F1298 HydrophobicContact CB-CE1 4.29Å; V1224-F1298 HydrophobicContact CG2-CD1 4.11Å; V1224-F1298 HydrophobicContact CG2-CE1 3.91Å; V1224-I1299 HydrophobicContact CG1-CD1 4.27Å; V1224-I1299 HydrophobicContact CG1-CG1 3.59Å; V1224-I1302 HydrophobicContact CB-CD1 4.22Å; V1224-I1302 HydrophobicContact CG1-CD1 3.97Å
1225L88.2Confident83.2Confident64 Ų6460.3 Ų60.334%0.33535%0.348SS..Hα-helixtrans-64.4-44.7173.1-70.2167.2000111.9A1221 L1223 I1227 L1228 D1229 I1302 W1303A1221-L1225 WeakPolarHBondContact O-CB 3.36Å; A1221-L1225 VanDerWaalsContact O-CG 3.28Å; A1221-L1225 WeakPolarHBondContact O-CG 3.33Å; A1221-L1225 PolarHBondContact O-N 3.1Å; L1223-L1225 PolarHBondContact O-N 2.89Å; L1225-I1227 PolarHBondContact O-N 2.67Å; L1225-L1228 HydrophobicContact CD2-CD1 4.21Å; L1225-L1228 WeakPolarHBondContact O-CB 3.47Å; L1225-L1228 PolarHBondContact O-N 2.94Å; L1225-L1228 VanDerWaalsContact O-N 3.09Å; L1225-D1229 PolarHBondContact O-N 3.39Å; L1225-I1302 HydrophobicContact CD2-CD1 4.48Å; L1225-I1302 HydrophobicContact CG-CD1 4.14Å; L1225-W1303 HydrophobicContact CD2-CZ3 4.24Å
1226N90.3Very high84.9Confident78 Ų7859.2 Ų59.242%0.41732%0.323SS..Hα-helixtrans-59.8-31.4174.5-68.1-3.4000112.7K1222 L1223 D1229 C1230K1222-N1226 WeakPolarHBondContact O-CB 3.33Å; K1222-N1226 PolarHBondContact O-N 3.09Å; K1222-N1226 PolarHBondContact O-OD1 2.86Å; L1223-N1226 WeakPolarHBondContact O-CB 3.45Å; L1223-N1226 PolarHBondContact O-N 3.19Å; N1226-D1229 PolarHBondContact O-N 3.39Å; N1226-C1230 PolarHBondContact O-N 2.8Å; N1226-C1230 PolarHBondContact O-SG 2.89Å; N1226-C1230 VanDerWaalsContact O-SG 3.36Å
1227I91.7Very high86.4Confident14 Ų1454.4 Ų54.47%0.07230%0.303CS..Hα-helixtrans-76.1-35.1176.4-61.5159.6000110.7L1201 M1204 F1205 A1208 L1223 V1224 L1225 D1229 C1230L1201-I1227 HydrophobicContact CB-CG2 4.1Å; L1201-I1227 HydrophobicContact CD1-CG2 4.28Å; L1201-I1227 HydrophobicContact CD2-CG2 4.44Å; M1204-I1227 HydrophobicContact CB-CD1 4.06Å; M1204-I1227 WeakPolarHBondContact O-CD1 3.41Å; F1205-I1227 HydrophobicContact CD1-CB 4.39Å; F1205-I1227 HydrophobicContact CD1-CG2 4.09Å; F1205-I1227 HydrophobicContact CD2-CG2 3.96Å; F1205-I1227 HydrophobicContact CE1-CB 3.93Å; F1205-I1227 HydrophobicContact CE1-CG2 3.72Å; F1205-I1227 HydrophobicContact CE2-CG2 3.58Å; F1205-I1227 HydrophobicContact CG-CG2 4.2Å; F1205-I1227 HydrophobicContact CZ-CB 4.07Å; F1205-I1227 HydrophobicContact CZ-CG2 3.46Å; F1205-I1227 VanDerWaalsContact CZ-CG2 3.46Å; A1208-I1227 HydrophobicContact CB-CD1 3.8Å; L1223-I1227 HydrophobicContact CD1-CD1 4.28Å; L1223-I1227 HydrophobicContact CG-CD1 4.13Å; L1223-I1227 WeakPolarHBondContact O-CD1 3.32Å; L1223-I1227 VanDerWaalsContact O-CG1 3.27Å; L1223-I1227 WeakPolarHBondContact O-CG1 3.38Å; L1223-I1227 PolarHBondContact O-N 3.26Å; V1224-I1227 PolarHBondContact O-N 3.05Å; L1225-I1227 PolarHBondContact O-N 2.67Å; I1227-D1229 VanDerWaalsContact C-N 3.25Å; I1227-D1229 PolarHBondContact O-N 3.19Å; I1227-C1230 WeakPolarHBondContact O-CB 3.3Å; I1227-C1230 PolarHBondContact O-N 3.36Å
1228L90.5Very high87.6Confident12 Ų1251 Ų516%0.06328%0.281CS..Hα-helixtrans-61.5-34.2169.2-73.7165.2000112.1F1197 F1205 V1224 L1225 C1230 L1231 Q1236 L1239 I1299 W1303F1197-L1228 HydrophobicContact CD1-CD2 4.43Å; F1197-L1228 HydrophobicContact CE1-CD2 3.79Å; F1205-L1228 HydrophobicContact CE1-CD2 4.31Å; F1205-L1228 HydrophobicContact CE1-CG 4.07Å; F1205-L1228 HydrophobicContact CZ-CD2 4.01Å; F1205-L1228 HydrophobicContact CZ-CG 4.1Å; V1224-L1228 PolarHBondContact O-N 3.47Å; L1225-L1228 HydrophobicContact CD2-CD1 4.21Å; L1225-L1228 WeakPolarHBondContact O-CB 3.47Å; L1225-L1228 PolarHBondContact O-N 2.94Å; L1225-L1228 VanDerWaalsContact O-N 3.09Å; L1228-C1230 PolarHBondContact O-N 2.93Å; L1228-L1231 HydrophobicContact CD2-CD1 3.9Å; L1228-L1231 WeakPolarHBondContact O-CB 3.22Å; L1228-L1231 PolarHBondContact O-N 3.02Å; L1228-Q1236 PolarHBondContact O-NE2 2.8Å; L1228-L1239 HydrophobicContact CD2-CD2 3.53Å; L1228-I1299 HydrophobicContact CD1-CG2 4.4Å; L1228-W1303 HydrophobicContact CD1-CZ3 4.31Å
1229D90.8Very high88.7Confident109 Ų10943 Ų4358%0.58324%0.244SC*.THydrogen-bonded Turntrans-72.9-7.5173.4-65.1-28000113.7L1225 N1226 I1227L1225-D1229 PolarHBondContact O-N 3.39Å; N1226-D1229 PolarHBondContact O-N 3.39Å; I1227-D1229 VanDerWaalsContact C-N 3.25Å; I1227-D1229 PolarHBondContact O-N 3.19Å
1230C92.1Very high89.7Confident89 Ų8941.7 Ų41.760%0.60123%0.232SC*.THydrogen-bonded Turntrans-99.65.7173.8-69.90000113.8L1201 N1226 I1227 L1228L1201-C1230 HydrophobicContact CD2-CB 4.35Å; N1226-C1230 PolarHBondContact O-N 2.8Å; N1226-C1230 PolarHBondContact O-SG 2.89Å; N1226-C1230 VanDerWaalsContact O-SG 3.36Å; I1227-C1230 WeakPolarHBondContact O-CB 3.3Å; I1227-C1230 PolarHBondContact O-N 3.36Å; L1228-C1230 PolarHBondContact O-N 2.93Å
1231L92.8Very high90.3Very high11 Ų1143.8 Ų43.86%0.05824%0.24CC..SBendtrans-69.2151.1172.8-79.5164.3000111.7T1198 L1201 L1228 A1233 Q1236 L1239T1198-L1231 HydrophobicContact CG2-CD2 3.91Å; L1201-L1231 HydrophobicContact CD1-CB 4.45Å; L1201-L1231 HydrophobicContact CD1-CD2 3.59Å; L1201-L1231 HydrophobicContact CD1-CG 3.73Å; L1228-L1231 HydrophobicContact CD2-CD1 3.9Å; L1228-L1231 WeakPolarHBondContact O-CB 3.22Å; L1228-L1231 PolarHBondContact O-N 3.02Å; L1231-A1233 PolarHBondContact O-N 2.78Å; L1231-Q1236 HydrophobicContact CB-CB 4.02Å; L1231-Q1236 HydrophobicContact CB-CG 4.33Å; L1231-L1239 HydrophobicContact CD1-CD2 3.37Å
1232P93Very high90.9Very high60 Ų6043.1 Ų43.139%0.3924%0.235SC..  trans-54.4133.1165.4-22.132.6000110T1198 N1234 N1235 Q1236T1198-P1232 HydrophobicContact CG2-CG 4Å; P1232-N1234 VanDerWaalsContact C-N 3.25Å; P1232-N1234 PolarHBondContact O-N 2.9Å; P1232-N1234 VanDerWaalsContact O-N 3.14Å; P1232-N1235 HydrophobicContact CB-CB 4.38Å; P1232-N1235 CarbonylContact O-C 3.6Å; P1232-N1235 WeakPolarHBondContact O-CA 3.45Å; P1232-N1235 WeakPolarHBondContact O-CB 3.47Å; P1232-N1235 PolarHBondContact O-N 2.79Å; P1232-Q1236 PolarHBondContact O-N 3.25Å
1233A90.2Very high91.3Very high60 Ų6036.6 Ų36.650%0.49621%0.206SC..Hα-helixtrans-52.5-42.7-172.900000113.1L1231 N1235 Q1236 E1237L1231-A1233 PolarHBondContact O-N 2.78Å; A1233-N1235 PolarHBondContact O-N 2.87Å; A1233-Q1236 WeakPolarHBondContact O-CB 3.35Å; A1233-Q1236 PolarHBondContact O-N 3.27Å; A1233-Q1236 VanDerWaalsContact O-N 3.13Å; A1233-E1237 PolarHBondContact O-N 3.38Å
1234N91Very high91.6Very high24 Ų2434.5 Ų34.513%0.12820%0.196CC..Hα-helixtrans-55.7-43.4173.8-80.4-5.2000113.1I1071 D1072 I1075 R1079 P1232I1071-N1234 HydrophobicContact CG2-CB 4.09Å; D1072-N1234 PolarHBondContact OD1-ND2 2.85Å; I1075-N1234 HydrophobicContact CD1-CB 3.69Å; I1075-N1234 WeakPolarHBondContact CD1-O 3.41Å; R1079-N1234 PolarHBondContact NH2-OD1 2.78Å; P1232-N1234 VanDerWaalsContact C-N 3.25Å; P1232-N1234 PolarHBondContact O-N 2.9Å; P1232-N1234 VanDerWaalsContact O-N 3.14Å
1235N93.1Very high91.8Very high7 Ų734.5 Ų34.54%0.03720%0.196CC..Hα-helixtrans-71.9-39.3174.3-67.236.3000111.3I1071 L1196 P1232 A1233 I1238 L1239I1071-N1235 HydrophobicContact CD1-CB 4.48Å; L1196-N1235 HydrophobicContact CD1-CB 4.16Å; L1196-N1235 PolarHBondContact O-ND2 3.48Å; L1196-N1235 VanDerWaalsContact O-ND2 3.12Å; P1232-N1235 HydrophobicContact CB-CB 4.38Å; P1232-N1235 CarbonylContact O-C 3.6Å; P1232-N1235 WeakPolarHBondContact O-CA 3.45Å; P1232-N1235 WeakPolarHBondContact O-CB 3.47Å; P1232-N1235 PolarHBondContact O-N 2.79Å; A1233-N1235 PolarHBondContact O-N 2.87Å; N1235-I1238 PolarHBondContact O-N 2.85Å; N1235-L1239 VanDerWaalsContact O-CB 3.27Å; N1235-L1239 WeakPolarHBondContact O-CB 3.48Å; N1235-L1239 PolarHBondContact O-N 3.32Å
1236Q91.9Very high92.2Very high49 Ų4931.5 Ų31.523%0.22918%0.18CC..Hα-helixtrans-63.1-47.2-178.3-160.8-169.221.100111L1228 L1231 P1232 A1233 I1238 L1239 L1240L1228-Q1236 PolarHBondContact O-NE2 2.8Å; L1231-Q1236 HydrophobicContact CB-CB 4.02Å; L1231-Q1236 HydrophobicContact CB-CG 4.33Å; P1232-Q1236 PolarHBondContact O-N 3.25Å; A1233-Q1236 WeakPolarHBondContact O-CB 3.35Å; A1233-Q1236 PolarHBondContact O-N 3.27Å; A1233-Q1236 VanDerWaalsContact O-N 3.13Å; Q1236-I1238 PolarHBondContact O-N 2.87Å; Q1236-L1239 PolarHBondContact O-N 2.95Å; Q1236-L1240 HydrophobicContact CG-CD1 4.21Å; Q1236-L1240 HydrophobicContact CG-CG 4.41Å; Q1236-L1240 WeakPolarHBondContact O-CB 3.13Å; Q1236-L1240 WeakPolarHBondContact O-CG 3.27Å; Q1236-L1240 PolarHBondContact O-N 3.06Å
1237E88.3Confident92.3Very high37 Ų3728.6 Ų28.617%0.17316%0.163CC..Hα-helixtrans-54.2-50.7175.9-77.9-179.6-140.500112.1M1102 F1103 A1233 Y1241M1102-E1237 VanDerWaalsContact CA-OE2 3.29Å; M1102-E1237 WeakPolarHBondContact CA-OE2 3.42Å; M1102-E1237 HydrophobicContact CE-CB 4.14Å; M1102-E1237 WeakPolarHBondContact CE-O 3.3Å; F1103-E1237 PolarHBondContact N-OE2 2.8Å; A1233-E1237 PolarHBondContact O-N 3.38Å; E1237-Y1241 PolarHBondContact O-N 3.38Å
1238I92.3Very high92.4Very high4 Ų432 Ų322%0.02118%0.176CC..Hα-helixtrans-64-45.3178.2-66.8178.4000110.5I1071 I1075 P1105 I1108 L1196 N1235 Q1236 L1240 Y1241 L1242I1071-I1238 HydrophobicContact CG2-CD1 3.69Å; I1075-I1238 HydrophobicContact CD1-CD1 4.03Å; I1075-I1238 HydrophobicContact CD1-CG1 4.38Å; I1075-I1238 HydrophobicContact CG1-CD1 4.42Å; P1105-I1238 HydrophobicContact CG-CD1 4.11Å; I1108-I1238 HydrophobicContact CD1-CD1 3.96Å; I1108-I1238 HydrophobicContact CD1-CG1 4.43Å; I1108-I1238 HydrophobicContact CD1-CG2 3.8Å; L1196-I1238 HydrophobicContact CD1-CB 4.27Å; L1196-I1238 HydrophobicContact CD1-CG2 4.06Å; L1196-I1238 HydrophobicContact CD2-CG2 4.2Å; N1235-I1238 PolarHBondContact O-N 2.85Å; Q1236-I1238 PolarHBondContact O-N 2.87Å; I1238-L1240 PolarHBondContact O-N 2.87Å; I1238-Y1241 PolarHBondContact O-N 2.86Å; I1238-L1242 HydrophobicContact CG2-CD1 3.95Å; I1238-L1242 HydrophobicContact CG2-CG 4.34Å; I1238-L1242 WeakPolarHBondContact O-CG 3.4Å; I1238-L1242 PolarHBondContact O-N 2.9Å
1239L93.3Very high92.6Very high3 Ų331.5 Ų31.52%0.01617%0.173CC..Hα-helixtrans-64-41-178.5-177.863000112.2L1196 F1197 L1228 L1231 N1235 Q1236 Y1241 L1242 L1243L1196-L1239 HydrophobicContact CD2-CB 4.11Å; L1196-L1239 HydrophobicContact CD2-CD1 3.84Å; L1196-L1239 HydrophobicContact CG-CB 4.24Å; L1196-L1239 HydrophobicContact CG-CD1 4.33Å; F1197-L1239 HydrophobicContact CD1-CD2 4.08Å; F1197-L1239 HydrophobicContact CD2-CD1 4.31Å; F1197-L1239 HydrophobicContact CE1-CD1 4.46Å; F1197-L1239 HydrophobicContact CE1-CD2 3.7Å; F1197-L1239 HydrophobicContact CE2-CD1 3.58Å; F1197-L1239 HydrophobicContact CE2-CD2 4.18Å; F1197-L1239 HydrophobicContact CG-CD2 4.5Å; F1197-L1239 HydrophobicContact CZ-CD1 3.68Å; F1197-L1239 HydrophobicContact CZ-CD2 3.76Å; F1197-L1239 HydrophobicContact CZ-CG 4.34Å; L1228-L1239 HydrophobicContact CD2-CD2 3.53Å; L1231-L1239 HydrophobicContact CD1-CD2 3.37Å; N1235-L1239 VanDerWaalsContact O-CB 3.27Å; N1235-L1239 WeakPolarHBondContact O-CB 3.48Å; N1235-L1239 PolarHBondContact O-N 3.32Å; Q1236-L1239 PolarHBondContact O-N 2.95Å; L1239-Y1241 PolarHBondContact O-N 2.91Å; L1239-L1242 PolarHBondContact O-N 2.89Å; L1239-L1243 HydrophobicContact CD1-CD1 4.26Å; L1239-L1243 HydrophobicContact CD1-CD2 4.48Å; L1239-L1243 HydrophobicContact CD1-CG 4.02Å; L1239-L1243 HydrophobicContact CD2-CD1 4.4Å; L1239-L1243 HydrophobicContact CG-CD1 3.9Å; L1239-L1243 HydrophobicContact CG-CG 4.14Å; L1239-L1243 WeakPolarHBondContact O-CB 3.34Å; L1239-L1243 WeakPolarHBondContact O-CG 3.38Å; L1239-L1243 PolarHBondContact O-N 3.32Å
1240L91.4Very high92.8Very high40 Ų4026.6 Ų26.621%0.20915%0.147CC..Hα-helixtrans-59.1-46.5176.2-71.8172.3000111.5Q1236 I1238 L1242 L1243 D1244 W1303Q1236-L1240 HydrophobicContact CG-CD1 4.21Å; Q1236-L1240 HydrophobicContact CG-CG 4.41Å; Q1236-L1240 WeakPolarHBondContact O-CB 3.13Å; Q1236-L1240 WeakPolarHBondContact O-CG 3.27Å; Q1236-L1240 PolarHBondContact O-N 3.06Å; I1238-L1240 PolarHBondContact O-N 2.87Å; L1240-L1242 VanDerWaalsContact C-N 3.31Å; L1240-L1242 PolarHBondContact O-N 2.92Å; L1240-L1243 PolarHBondContact O-N 2.94Å; L1240-D1244 PolarHBondContact O-N 3.11Å; L1240-D1244 VanDerWaalsContact O-N 3.14Å; L1240-W1303 HydrophobicContact CD2-CH2 3.43Å; L1240-W1303 VanDerWaalsContact CD2-CH2 3.43Å; L1240-W1303 HydrophobicContact CD2-CZ2 3.85Å
1241Y91.9Very high92.9Very high44 Ų4426.5 Ų26.517%0.17314%0.14CC..Hα-helixtrans-61.2-39176.3177.4-108.5000112.4I1104 I1108 V1112 E1237 I1238 L1239 H1245I1104-Y1241 HydrophobicContact CD1-CD1 4.01Å; I1104-Y1241 HydrophobicContact CD1-CD2 3.53Å; I1104-Y1241 HydrophobicContact CD1-CE1 4.39Å; I1104-Y1241 HydrophobicContact CD1-CE2 3.95Å; I1104-Y1241 HydrophobicContact CD1-CG 3.55Å; I1104-Y1241 HydrophobicContact CG1-CD1 4.5Å; I1104-Y1241 HydrophobicContact CG1-CG 4.33Å; I1104-Y1241 HydrophobicContact CG2-CD1 3.99Å; I1104-Y1241 HydrophobicContact CG2-CE1 4.01Å; I1108-Y1241 HydrophobicContact CG2-CD1 4.18Å; I1108-Y1241 HydrophobicContact CG2-CE1 4.1Å; V1112-Y1241 HydrophobicContact CB-CE1 3.85Å; V1112-Y1241 HydrophobicContact CG1-CE1 3.85Å; V1112-Y1241 WeakPolarHBondContact CG1-OH 3.39Å; V1112-Y1241 HydrophobicContact CG2-CE1 3.92Å; E1237-Y1241 PolarHBondContact O-N 3.38Å; I1238-Y1241 PolarHBondContact O-N 2.86Å; L1239-Y1241 PolarHBondContact O-N 2.91Å; Y1241-H1245 PolarHBondContact O-N 3.05Å
1242L94.7Very high92.9Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-75.7-37.5178.9-66.1-176.2000113.5I1108 V1112 F1185 L1189 L1196 I1238 L1239 L1240 D1244 H1245 F1246I1108-L1242 HydrophobicContact CG2-CD2 3.98Å; V1112-L1242 HydrophobicContact CG2-CD2 3.74Å; F1185-L1242 HydrophobicContact CE2-CD2 4.31Å; F1185-L1242 HydrophobicContact CZ-CD1 3.91Å; F1185-L1242 HydrophobicContact CZ-CD2 3.6Å; F1185-L1242 HydrophobicContact CZ-CG 4.42Å; L1189-L1242 HydrophobicContact CD2-CD1 4.48Å; L1196-L1242 HydrophobicContact CD2-CD1 3.93Å; I1238-L1242 HydrophobicContact CG2-CD1 3.95Å; I1238-L1242 HydrophobicContact CG2-CG 4.34Å; I1238-L1242 WeakPolarHBondContact O-CG 3.4Å; I1238-L1242 PolarHBondContact O-N 2.9Å; L1239-L1242 PolarHBondContact O-N 2.89Å; L1240-L1242 VanDerWaalsContact C-N 3.31Å; L1240-L1242 PolarHBondContact O-N 2.92Å; L1242-D1244 VanDerWaalsContact C-N 3.35Å; L1242-H1245 WeakPolarHBondContact O-CB 3.12Å; L1242-H1245 PolarHBondContact O-N 2.85Å; L1242-H1245 VanDerWaalsContact O-N 3.15Å; L1242-F1246 HydrophobicContact CB-CD2 4.35Å; L1242-F1246 HydrophobicContact CB-CE2 3.77Å; L1242-F1246 HydrophobicContact CB-CZ 4.15Å; L1242-F1246 WeakPolarHBondContact O-CD2 3.18Å; L1242-F1246 WeakPolarHBondContact O-CG 3.16Å; L1242-F1246 PolarHBondContact O-N 3.39Å
1243L94.2Very high92.9Very high1 Ų127.4 Ų27.41%0.00515%0.145CC..Hα-helixtrans-62.3-42.4174.4-73.4172.9000111.3L1239 L1240 H1245 F1246 K1247 F1296 I1299 L1300 W1303L1239-L1243 HydrophobicContact CD1-CD1 4.26Å; L1239-L1243 HydrophobicContact CD1-CD2 4.48Å; L1239-L1243 HydrophobicContact CD1-CG 4.02Å; L1239-L1243 HydrophobicContact CD2-CD1 4.4Å; L1239-L1243 HydrophobicContact CG-CD1 3.9Å; L1239-L1243 HydrophobicContact CG-CG 4.14Å; L1239-L1243 WeakPolarHBondContact O-CB 3.34Å; L1239-L1243 WeakPolarHBondContact O-CG 3.38Å; L1239-L1243 PolarHBondContact O-N 3.32Å; L1240-L1243 PolarHBondContact O-N 2.94Å; L1243-H1245 VanDerWaalsContact C-N 3.29Å; L1243-H1245 PolarHBondContact O-N 2.96Å; L1243-F1246 PolarHBondContact O-N 2.9Å; L1243-K1247 WeakPolarHBondContact O-CB 2.99Å; L1243-K1247 PolarHBondContact O-N 2.76Å; L1243-F1296 HydrophobicContact CD2-CE2 3.93Å; L1243-F1296 HydrophobicContact CD2-CZ 4.31Å; L1243-I1299 HydrophobicContact CD1-CG2 4.3Å; L1243-I1299 HydrophobicContact CD2-CG2 3.84Å; L1243-L1300 HydrophobicContact CD2-CD2 4Å; L1243-W1303 HydrophobicContact CB-CD2 4.06Å; L1243-W1303 HydrophobicContact CB-CG 4.43Å; L1243-W1303 HydrophobicContact CB-CZ2 4.14Å; L1243-W1303 HydrophobicContact CD1-CD2 4.22Å; L1243-W1303 HydrophobicContact CD1-CE3 3.96Å; L1243-W1303 HydrophobicContact CD1-CH2 4.08Å; L1243-W1303 HydrophobicContact CD1-CZ2 4.29Å; L1243-W1303 HydrophobicContact CD1-CZ3 3.88Å
1244D92.3Very high93.1Very high19 Ų1932.5 Ų32.510%0.10216%0.158CC..Hα-helixtrans-62.1-34.8173.6-80.6-8.6000112L1240 L1242 R1248 W1303L1240-D1244 PolarHBondContact O-N 3.11Å; L1240-D1244 VanDerWaalsContact O-N 3.14Å; L1242-D1244 VanDerWaalsContact C-N 3.35Å; D1244-R1248 WeakPolarHBondContact O-CG 3.35Å; D1244-R1248 PolarHBondContact O-N 3.15Å; D1244-R1248 PolarHBondContact O-NH1 2.78Å; D1244-W1303 PolarHBondContact OD1-NE1 3.42Å
1245H93.8Very high93.2Very high0 Ų034.4 Ų34.40%017%0.171CC..Hα-helixtrans-69.8-49.1173.5169.760.6000112.7V1112 D1116 Y1126 Y1241 L1242 L1243 K1247 R1248 L1249V1112-H1245 HydrophobicContact CG1-CB 3.95Å; D1116-H1245 IonicContact OD1-CE1 2.67Å; D1116-H1245 PolarHBondContact OD1-CE1 3.3Å; D1116-H1245 IonicContact OD1-ND1 3.6Å; D1116-H1245 PolarHBondContact OD1-ND1 2.87Å; D1116-H1245 IonicContact OD2-ND1 3.55Å; Y1126-H1245 AromaticContact CE2-NE2 3.7Å; Y1126-H1245 AromaticContact CZ-NE2 3.87Å; Y1126-H1245 PolarHBondContact OH-NE2 2.79Å; Y1126-H1245 VanDerWaalsContact OH-NE2 3.13Å; Y1241-H1245 PolarHBondContact O-N 3.05Å; L1242-H1245 WeakPolarHBondContact O-CB 3.12Å; L1242-H1245 PolarHBondContact O-N 2.85Å; L1242-H1245 VanDerWaalsContact O-N 3.15Å; L1243-H1245 VanDerWaalsContact C-N 3.29Å; L1243-H1245 PolarHBondContact O-N 2.96Å; H1245-K1247 VanDerWaalsContact C-N 3.25Å; H1245-K1247 PolarHBondContact O-N 2.8Å; H1245-R1248 WeakPolarHBondContact O-CB 3.12Å; H1245-R1248 PolarHBondContact O-N 2.79Å; H1245-R1248 VanDerWaalsContact O-N 3.1Å; H1245-L1249 PolarHBondContact O-N 2.79Å; H1245-L1249 VanDerWaalsContact O-N 3.13Å
1246F95.9Very high93.3Very high0 Ų034 Ų340%017%0.169CC..Hα-helixtrans-61.2-36.3178.5-60.1-38.7000111.6Y1126 F1185 L1242 L1243 L1249 T1250 L1263 L1267 L1271 F1296 L1300Y1126-F1246 HydrophobicContact CE2-CD1 4.24Å; Y1126-F1246 AromaticContact CE2-CE1 3.96Å; Y1126-F1246 HydrophobicContact CE2-CE1 3.96Å; Y1126-F1246 AromaticContact CZ-CE1 4Å; F1185-F1246 HydrophobicContact CE1-CZ 4.4Å; L1242-F1246 HydrophobicContact CB-CD2 4.35Å; L1242-F1246 HydrophobicContact CB-CE2 3.77Å; L1242-F1246 HydrophobicContact CB-CZ 4.15Å; L1242-F1246 WeakPolarHBondContact O-CD2 3.18Å; L1242-F1246 WeakPolarHBondContact O-CG 3.16Å; L1242-F1246 PolarHBondContact O-N 3.39Å; L1243-F1246 PolarHBondContact O-N 2.9Å; F1246-L1249 PolarHBondContact O-N 3.48Å; F1246-T1250 PolarHBondContact O-N 3.22Å; F1246-T1250 PolarHBondContact O-OG1 2.67Å; F1246-L1263 HydrophobicContact CB-CD2 3.9Å; F1246-L1263 HydrophobicContact CD1-CD2 4.42Å; F1246-L1263 HydrophobicContact CG-CD2 4.44Å; F1246-L1267 HydrophobicContact CD1-CD1 3.68Å; F1246-L1267 HydrophobicContact CD2-CD1 4.33Å; F1246-L1267 HydrophobicContact CE1-CD1 3.44Å; F1246-L1267 VanDerWaalsContact CE1-CD1 3.44Å; F1246-L1267 HydrophobicContact CE2-CD1 4.1Å; F1246-L1267 HydrophobicContact CG-CD1 4.15Å; F1246-L1267 HydrophobicContact CZ-CD1 3.67Å; F1246-L1271 HydrophobicContact CE2-CD1 4.3Å; F1246-F1296 HydrophobicContact CD2-CE1 4.5Å; F1246-F1296 AromaticContact CD2-CZ 3.75Å; F1246-F1296 HydrophobicContact CD2-CZ 3.75Å; F1246-F1296 HydrophobicContact CE2-CZ 4.1Å; F1246-L1300 HydrophobicContact CB-CD2 3.88Å
1247K94.3Very high93.4Very high18 Ų1837.3 Ų37.38%0.07818%0.182CC..Hα-helixtrans-64.4-41.1173.3-165.574.1-175.8-152.50112.6L1243 H1245 L1249 T1250 N1251 L1300 W1303 D1305L1243-K1247 WeakPolarHBondContact O-CB 2.99Å; L1243-K1247 PolarHBondContact O-N 2.76Å; H1245-K1247 VanDerWaalsContact C-N 3.25Å; H1245-K1247 PolarHBondContact O-N 2.8Å; K1247-L1249 VanDerWaalsContact C-N 3.28Å; K1247-L1249 PolarHBondContact O-N 3.31Å; K1247-T1250 WeakPolarHBondContact CA-OG1 3.44Å; K1247-T1250 PolarHBondContact O-N 3.15Å; K1247-T1250 PolarHBondContact O-OG1 3.32Å; K1247-N1251 WeakPolarHBondContact O-CB 3.2Å; K1247-N1251 PolarHBondContact O-N 3.33Å; K1247-N1251 PolarHBondContact O-OD1 3.41Å; K1247-N1251 VanDerWaalsContact O-OD1 3.07Å; K1247-L1300 PolarHBondContact NZ-O 2.94Å; K1247-W1303 HydrophobicContact CD-CB 4.33Å; K1247-W1303 WeakPolarHBondContact CE-O 3.39Å; K1247-W1303 PolarHBondContact NZ-O 3.46Å; K1247-D1305 WeakPolarHBondContact CE-OD1 3.13Å; K1247-D1305 IonicContact NZ-OD1 2.84Å
1248R93.1Very high93.7Very high86 Ų8635.6 Ų35.633%0.32517%0.174SC..Hα-helixtrans-56.6-42.6172.6-75-174.3-64.4-85.819.2111.6D1116 D1244 H1245 N1251 N1252D1116-R1248 IonicContact OD1-CZ 3.53Å; D1116-R1248 IonicContact OD1-NE 3.12Å; D1116-R1248 PolarHBondContact OD1-NE 3.1Å; D1116-R1248 IonicContact OD1-NH2 2.88Å; D1116-R1248 IonicContact OD2-CZ 3.42Å; D1116-R1248 IonicContact OD2-NE 3.55Å; D1116-R1248 PolarHBondContact OD2-NE 2.83Å; D1116-R1248 VanDerWaalsContact OD2-NE 3.17Å; D1116-R1248 IonicContact OD2-NH2 2.72Å; D1116-R1248 PolarHBondContact OD2-NH2 3.13Å; D1244-R1248 WeakPolarHBondContact O-CG 3.35Å; D1244-R1248 PolarHBondContact O-N 3.15Å; D1244-R1248 PolarHBondContact O-NH1 2.78Å; H1245-R1248 WeakPolarHBondContact O-CB 3.12Å; H1245-R1248 PolarHBondContact O-N 2.79Å; H1245-R1248 VanDerWaalsContact O-N 3.1Å; R1248-N1251 PolarHBondContact O-N 2.76Å; R1248-N1252 PolarHBondContact O-N 2.84Å
1249L94.7Very high93.8Very high0 Ų038.4 Ų38.40%019%0.189CC..Hα-helixtrans-68.4-44.7178.7-65.4-178.7000113I1115 V1125 Y1126 H1245 F1246 K1247 N1251 N1252 C1253 N1256I1115-L1249 HydrophobicContact CG2-CD1 4.45Å; V1125-L1249 HydrophobicContact CG1-CD1 4.24Å; V1125-L1249 HydrophobicContact CG1-CD2 4.49Å; V1125-L1249 HydrophobicContact CG2-CD1 4.45Å; Y1126-L1249 HydrophobicContact CD2-CD1 3.9Å; Y1126-L1249 HydrophobicContact CE2-CD1 3.54Å; H1245-L1249 PolarHBondContact O-N 2.79Å; H1245-L1249 VanDerWaalsContact O-N 3.13Å; F1246-L1249 PolarHBondContact O-N 3.48Å; K1247-L1249 VanDerWaalsContact C-N 3.28Å; K1247-L1249 PolarHBondContact O-N 3.31Å; L1249-N1251 PolarHBondContact O-N 2.94Å; L1249-N1252 CarbonylContact O-C 3.6Å; L1249-N1252 PolarHBondContact O-N 2.92Å; L1249-N1252 VanDerWaalsContact O-N 3.1Å; L1249-C1253 PolarHBondContact O-N 3.15Å; L1249-N1256 PolarHBondContact O-ND2 3.33Å
1250T94.6Very high93.9Very high7 Ų739.6 Ų39.64%0.04320%0.197CC..Hα-helixtrans-63.3-31.6176.554.50000112.3F1246 K1247 N1252 C1253 T1260 L1263 L1300F1246-T1250 PolarHBondContact O-N 3.22Å; F1246-T1250 PolarHBondContact O-OG1 2.67Å; K1247-T1250 WeakPolarHBondContact CA-OG1 3.44Å; K1247-T1250 PolarHBondContact O-N 3.15Å; K1247-T1250 PolarHBondContact O-OG1 3.32Å; T1250-N1252 PolarHBondContact O-N 2.83Å; T1250-C1253 WeakPolarHBondContact O-CB 3.21Å; T1250-C1253 PolarHBondContact O-N 2.95Å; T1250-C1253 VanDerWaalsContact O-N 3.12Å; T1250-C1253 PolarHBondContact O-SG 3.04Å; T1250-T1260 HydrophobicContact CG2-CG2 4.07Å; T1250-L1263 HydrophobicContact CG2-CB 4.41Å; T1250-L1263 HydrophobicContact CG2-CD2 3.69Å; T1250-L1300 HydrophobicContact CG2-CD1 4.45Å
1251N93.2Very high94Very high86 Ų8640.9 Ų40.946%0.4620%0.202SC..Hα-helixtrans-74.2-12.6178.8-67.513.3000112.8K1247 R1248 L1249 D1305K1247-N1251 WeakPolarHBondContact O-CB 3.2Å; K1247-N1251 PolarHBondContact O-N 3.33Å; K1247-N1251 PolarHBondContact O-OD1 3.41Å; K1247-N1251 VanDerWaalsContact O-OD1 3.07Å; R1248-N1251 PolarHBondContact O-N 2.76Å; L1249-N1251 PolarHBondContact O-N 2.94Å; N1251-D1305 PolarHBondContact ND2-OD1 2.93Å; N1251-D1305 PolarHBondContact OD1-OD1 2.93Å
1252N93.1Very high94.1Very high44 Ų4440.8 Ų40.824%0.23520%0.204CC..THydrogen-bonded Turntrans-106.122.1168.9-158.934.5000113.1S1120 D1121 R1248 L1249 T1250 E1254 V1255 N1256S1120-N1252 PolarHBondContact O-ND2 3.21Å; D1121-N1252 PolarHBondContact OD1-ND2 3.23Å; R1248-N1252 PolarHBondContact O-N 2.84Å; L1249-N1252 CarbonylContact O-C 3.6Å; L1249-N1252 PolarHBondContact O-N 2.92Å; L1249-N1252 VanDerWaalsContact O-N 3.1Å; T1250-N1252 PolarHBondContact O-N 2.83Å; N1252-E1254 PolarHBondContact O-N 3.38Å; N1252-E1254 VanDerWaalsContact O-N 3.11Å; N1252-V1255 PolarHBondContact O-N 2.82Å; N1252-V1255 WeakPolarHBondContact OD1-CG2 3.34Å; N1252-N1256 PolarHBondContact O-N 3.14Å; N1252-N1256 PolarHBondContact O-ND2 2.92Å; N1252-N1256 PolarHBondContact O-OD1 3.17Å
1253C93.8Very high94.2Very high46 Ų4640.8 Ų40.831%0.31120%0.204SC..Hα-helixtrans-57.6-24.5179.764.10000113.9L1249 T1250 V1255 N1256 K1257 M1258 D1259L1249-C1253 PolarHBondContact O-N 3.15Å; T1250-C1253 WeakPolarHBondContact O-CB 3.21Å; T1250-C1253 PolarHBondContact O-N 2.95Å; T1250-C1253 VanDerWaalsContact O-N 3.12Å; T1250-C1253 PolarHBondContact O-SG 3.04Å; C1253-V1255 PolarHBondContact O-N 2.89Å; C1253-N1256 WeakPolarHBondContact CA-OD1 3.22Å; C1253-K1257 WeakPolarHBondContact O-CA 3.42Å; C1253-K1257 PolarHBondContact O-N 2.64Å; C1253-M1258 WeakPolarHBondContact CB-O 3.43Å; C1253-D1259 HydrophobicContact CB-CB 4.42Å
1254E93.8Very high94.2Very high167 Ų16740.8 Ų40.878%0.7820%0.204SC*.Hα-helixtrans-60-31.7172.4-67.9-163.317700112.8N1252 K1257N1252-E1254 PolarHBondContact O-N 3.38Å; N1252-E1254 VanDerWaalsContact O-N 3.11Å; E1254-K1257 WeakPolarHBondContact O-CE 3.01Å; E1254-K1257 PolarHBondContact O-NZ 2.82Å
1255V94Very high94.3Very high64 Ų6441.9 Ų41.939%0.38821%0.212SC..Hα-helixtrans-95-61.2176.8-172.70000110.1D1121 N1252 C1253 K1257D1121-V1255 HydrophobicContact CB-CG1 3.87Å; N1252-V1255 PolarHBondContact O-N 2.82Å; N1252-V1255 WeakPolarHBondContact OD1-CG2 3.34Å; C1253-V1255 PolarHBondContact O-N 2.89Å; V1255-K1257 VanDerWaalsContact C-N 3.31Å; V1255-K1257 PolarHBondContact O-N 3.32Å
1256N94Very high94.3Very high0 Ų042.6 Ų42.60%022%0.216CC..Hα-helixtrans-78.2-8.2-170.767.637.7000115.1S1120 V1122 V1123 G1124 V1125 L1249 N1252 C1253 M1258S1120-N1256 WeakPolarHBondContact O-CB 3.42Å; S1120-N1256 PolarHBondContact O-ND2 2.67Å; V1122-N1256 WeakPolarHBondContact O-CB 3.5Å; V1123-N1256 CarbonylContact C-O 3.51Å; V1123-N1256 VanDerWaalsContact CA-O 3.3Å; V1123-N1256 WeakPolarHBondContact CA-O 3.28Å; G1124-N1256 PolarHBondContact N-O 2.91Å; V1125-N1256 HydrophobicContact CG1-CB 4.4Å; L1249-N1256 PolarHBondContact O-ND2 3.33Å; N1252-N1256 PolarHBondContact O-N 3.14Å; N1252-N1256 PolarHBondContact O-ND2 2.92Å; N1252-N1256 PolarHBondContact O-OD1 3.17Å; C1253-N1256 WeakPolarHBondContact CA-OD1 3.22Å; N1256-M1258 PolarHBondContact O-N 2.96Å; N1256-M1258 WeakPolarHBondContact OD1-CB 3.27Å; N1256-M1258 PolarHBondContact OD1-N 3.02Å
1257K94.4Very high94.3Very high118 Ų11842.6 Ų42.651%0.51322%0.216SC..  trans59.926.5178.8-45.6-53.4-178.4-177.50114.9V1123 C1253 E1254 V1255V1123-K1257 HydrophobicContact CG1-CB 4.33Å; V1123-K1257 HydrophobicContact CG1-CG 3.99Å; V1123-K1257 HydrophobicContact CG2-CG 4.49Å; C1253-K1257 WeakPolarHBondContact O-CA 3.42Å; C1253-K1257 PolarHBondContact O-N 2.64Å; E1254-K1257 WeakPolarHBondContact O-CE 3.01Å; E1254-K1257 PolarHBondContact O-NZ 2.82Å; V1255-K1257 VanDerWaalsContact C-N 3.31Å; V1255-K1257 PolarHBondContact O-N 3.32Å
1258M94.4Very high94.3Very high0 Ų041.7 Ų41.70%021%0.213CC..  trans-112.689.2174.5-62.8-58.4-64.700110.1V1125 R1127 C1253 N1256 N1262 L1263V1125-M1258 HydrophobicContact CG1-CG 3.92Å; R1127-M1258 HydrophobicContact CB-CE 3.77Å; R1127-M1258 HydrophobicContact CB-SD 3.7Å; R1127-M1258 HydrophobicContact CG-SD 4.4Å; C1253-M1258 WeakPolarHBondContact CB-O 3.43Å; N1256-M1258 PolarHBondContact O-N 2.96Å; N1256-M1258 WeakPolarHBondContact OD1-CB 3.27Å; N1256-M1258 PolarHBondContact OD1-N 3.02Å; M1258-N1262 VanDerWaalsContact CE-C 3.49Å; M1258-N1262 HydrophobicContact CE-CB 3.94Å; M1258-N1262 WeakPolarHBondContact CE-O 3.44Å; M1258-N1262 HydrophobicContact SD-CB 4.15Å; M1258-L1263 HydrophobicContact CE-CB 4.23Å; M1258-L1263 HydrophobicContact CE-CD1 4.17Å
1259D94.8Very high94.2Very high63 Ų6338.5 Ų38.534%0.33720%0.203SC..  trans-73.7177.2167.365-2.7000111.7C1253 Q1261 N1262 L1263C1253-D1259 HydrophobicContact CB-CB 4.42Å; D1259-Q1261 PolarHBondContact O-N 2.9Å; D1259-Q1261 PolarHBondContact OD1-N 3.04Å; D1259-N1262 PolarHBondContact O-N 3.21Å; D1259-N1262 WeakPolarHBondContact OD1-CB 3.4Å; D1259-N1262 PolarHBondContact OD1-N 3.18Å; D1259-N1262 PolarHBondContact OD1-ND2 3.5Å; D1259-L1263 VanDerWaalsContact O-CB 3.32Å; D1259-L1263 WeakPolarHBondContact O-CB 3.33Å; D1259-L1263 PolarHBondContact O-N 3.14Å
1260T95.2Very high94.1Very high28 Ų2838.9 Ų38.917%0.17221%0.205CC..Hα-helixtrans-54.8-39.3178.654.70000112T1250 A1264 L1300 E1301T1250-T1260 HydrophobicContact CG2-CG2 4.07Å; T1260-A1264 WeakPolarHBondContact O-CB 3.43Å; T1260-A1264 PolarHBondContact O-N 3.03Å; T1260-L1300 HydrophobicContact CG2-CB 4.18Å; T1260-E1301 HydrophobicContact CG2-CG 4Å; T1260-E1301 PolarHBondContact OG1-OE1 2.88Å; T1260-E1301 VanDerWaalsContact OG1-OE1 3.06Å
1261Q94.5Very high94.1Very high68 Ų6838.6 Ų38.632%0.31820%0.203SC..Hα-helixtrans-66.8-56179.4-176.665.168.700112.4D1259 L1263 A1264 T1265D1259-Q1261 PolarHBondContact O-N 2.9Å; D1259-Q1261 PolarHBondContact OD1-N 3.04Å; Q1261-L1263 VanDerWaalsContact C-N 3.29Å; Q1261-L1263 PolarHBondContact O-N 3.33Å; Q1261-A1264 PolarHBondContact O-N 3.48Å; Q1261-T1265 WeakPolarHBondContact O-CB 3.43Å; Q1261-T1265 PolarHBondContact O-N 2.63Å; Q1261-T1265 PolarHBondContact O-OG1 3.12Å
1262N93.8Very high94.1Very high42 Ų4234.5 Ų34.523%0.22518%0.181CC..Hα-helixtrans-64.8-35-177.5-74.2-82.2000111.2R1127 M1258 D1259 C1266R1127-N1262 VanDerWaalsContact NH1-CG 3.33Å; R1127-N1262 PolarHBondContact NH1-OD1 3.23Å; R1127-N1262 PolarHBondContact NH2-OD1 3.3Å; R1127-N1262 VanDerWaalsContact NH2-OD1 3.09Å; M1258-N1262 VanDerWaalsContact CE-C 3.49Å; M1258-N1262 HydrophobicContact CE-CB 3.94Å; M1258-N1262 WeakPolarHBondContact CE-O 3.44Å; M1258-N1262 HydrophobicContact SD-CB 4.15Å; D1259-N1262 PolarHBondContact O-N 3.21Å; D1259-N1262 WeakPolarHBondContact OD1-CB 3.4Å; D1259-N1262 PolarHBondContact OD1-N 3.18Å; D1259-N1262 PolarHBondContact OD1-ND2 3.5Å; N1262-C1266 PolarHBondContact O-N 2.89Å; N1262-C1266 PolarHBondContact O-SG 3.28Å
1263L95.6Very high94Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-70-42.9176.2-170.761.6000111.5Y1126 F1246 T1250 M1258 D1259 Q1261 C1266 L1267 L1300Y1126-L1263 HydrophobicContact CD2-CD1 3.86Å; Y1126-L1263 HydrophobicContact CG-CD1 4.35Å; F1246-L1263 HydrophobicContact CB-CD2 3.9Å; F1246-L1263 HydrophobicContact CD1-CD2 4.42Å; F1246-L1263 HydrophobicContact CG-CD2 4.44Å; T1250-L1263 HydrophobicContact CG2-CB 4.41Å; T1250-L1263 HydrophobicContact CG2-CD2 3.69Å; M1258-L1263 HydrophobicContact CE-CB 4.23Å; M1258-L1263 HydrophobicContact CE-CD1 4.17Å; D1259-L1263 VanDerWaalsContact O-CB 3.32Å; D1259-L1263 WeakPolarHBondContact O-CB 3.33Å; D1259-L1263 PolarHBondContact O-N 3.14Å; Q1261-L1263 VanDerWaalsContact C-N 3.29Å; Q1261-L1263 PolarHBondContact O-N 3.33Å; L1263-C1266 PolarHBondContact O-N 2.89Å; L1263-C1266 VanDerWaalsContact O-N 3.12Å; L1263-L1267 HydrophobicContact CD1-CD1 3.7Å; L1263-L1267 HydrophobicContact CD1-CG 4.24Å; L1263-L1267 HydrophobicContact CG-CD1 3.89Å; L1263-L1267 PolarHBondContact O-N 3.26Å; L1263-L1267 VanDerWaalsContact O-N 3.13Å; L1263-L1300 HydrophobicContact CD2-CD1 4.3Å
1264A95.7Very high93.6Very high0 Ų030.8 Ų30.80%016%0.158CC..Hα-helixtrans-64.3-43.4177.500000113.1T1260 Q1261 C1266 L1267 A1268 A1293 F1296 K1297T1260-A1264 WeakPolarHBondContact O-CB 3.43Å; T1260-A1264 PolarHBondContact O-N 3.03Å; Q1261-A1264 PolarHBondContact O-N 3.48Å; A1264-C1266 PolarHBondContact O-N 3.28Å; A1264-L1267 PolarHBondContact O-N 3.18Å; A1264-A1268 VanDerWaalsContact O-CB 3.23Å; A1264-A1268 WeakPolarHBondContact O-CB 3.36Å; A1264-A1268 PolarHBondContact O-N 3.14Å; A1264-A1293 HydrophobicContact CB-CB 4.45Å; A1264-F1296 HydrophobicContact CB-CB 4.23Å; A1264-F1296 HydrophobicContact CB-CD1 3.8Å; A1264-K1297 HydrophobicContact CB-CB 4.04Å
1265T93.2Very high92.8Very high43 Ų4322.9 Ų22.926%0.26412%0.121SC..Hα-helixtrans-51.3-34.8170.4-75.70000112.8E955 Q1261E955-T1265 WeakPolarHBondContact OE2-CG2 3.32Å; Q1261-T1265 WeakPolarHBondContact O-CB 3.43Å; Q1261-T1265 PolarHBondContact O-N 2.63Å; Q1261-T1265 PolarHBondContact O-OG1 3.12Å
1266C93.6Very high91.9Very high14 Ų1421 Ų2110%0.09511%0.11CC..Hα-helixtrans-89.6-19.3-178.1-60.90000114.9N1262 L1263 A1264N1262-C1266 PolarHBondContact O-N 2.89Å; N1262-C1266 PolarHBondContact O-SG 3.28Å; L1263-C1266 PolarHBondContact O-N 2.89Å; L1263-C1266 VanDerWaalsContact O-N 3.12Å; A1264-C1266 PolarHBondContact O-N 3.28Å
1267L95.7Very high91Very high0 Ų024.4 Ų24.40%013%0.134CC..Hα-helixtrans-116.9-30.2-171.6-66.9-179.5000114.3Y1126 K1186 F1246 L1263 A1264 V1270 L1271 F1296Y1126-L1267 HydrophobicContact CD1-CD2 3.95Å; Y1126-L1267 HydrophobicContact CE1-CD2 4.46Å; Y1126-L1267 HydrophobicContact CG-CD2 4.16Å; K1186-L1267 HydrophobicContact CD-CD2 4.15Å; K1186-L1267 HydrophobicContact CG-CD2 4.15Å; F1246-L1267 HydrophobicContact CD1-CD1 3.68Å; F1246-L1267 HydrophobicContact CD2-CD1 4.33Å; F1246-L1267 HydrophobicContact CE1-CD1 3.44Å; F1246-L1267 VanDerWaalsContact CE1-CD1 3.44Å; F1246-L1267 HydrophobicContact CE2-CD1 4.1Å; F1246-L1267 HydrophobicContact CG-CD1 4.15Å; F1246-L1267 HydrophobicContact CZ-CD1 3.67Å; L1263-L1267 HydrophobicContact CD1-CD1 3.7Å; L1263-L1267 HydrophobicContact CD1-CG 4.24Å; L1263-L1267 HydrophobicContact CG-CD1 3.89Å; L1263-L1267 PolarHBondContact O-N 3.26Å; L1263-L1267 VanDerWaalsContact O-N 3.13Å; A1264-L1267 PolarHBondContact O-N 3.18Å; L1267-V1270 WeakPolarHBondContact O-CB 3.32Å; L1267-V1270 PolarHBondContact O-N 2.87Å; L1267-L1271 HydrophobicContact CB-CD1 3.92Å; L1267-L1271 WeakPolarHBondContact O-CG 3.5Å; L1267-L1271 PolarHBondContact O-N 3.26Å; L1267-F1296 HydrophobicContact CB-CE1 4.23Å; L1267-F1296 HydrophobicContact CD1-CE1 4.38Å
1268A94.7Very high90.3Very high0 Ų020.7 Ų20.70%012%0.122CC..Hα-helixtrans-61.8-40.3-17100000114.3A1264 V1270 L1271 F1272 M1292 A1293 F1296A1264-A1268 VanDerWaalsContact O-CB 3.23Å; A1264-A1268 WeakPolarHBondContact O-CB 3.36Å; A1264-A1268 PolarHBondContact O-N 3.14Å; A1268-V1270 VanDerWaalsContact C-N 3.28Å; A1268-V1270 PolarHBondContact O-N 3.21Å; A1268-L1271 PolarHBondContact O-N 2.9Å; A1268-F1272 HydrophobicContact CB-CD2 4.29Å; A1268-F1272 WeakPolarHBondContact O-CB 3.32Å; A1268-F1272 PolarHBondContact O-N 3.4Å; A1268-M1292 HydrophobicContact CB-CB 3.83Å; A1268-M1292 VanDerWaalsContact CB-O 3.27Å; A1268-M1292 WeakPolarHBondContact CB-O 3.36Å; A1268-A1293 HydrophobicContact CB-CB 4.4Å; A1268-F1296 HydrophobicContact CB-CB 3.8Å; A1268-F1296 HydrophobicContact CB-CG 4.41Å
1269P91.5Very high89.7Confident19 Ų1921.3 Ų21.312%0.12313%0.128CC..Hα-helixtrans-60.2-37.9173.2-24.736.1000112.6F1045 L1271 Y1273 P1289F1045-P1269 HydrophobicContact CE2-CB 4.25Å; F1045-P1269 HydrophobicContact CZ-CB 4.29Å; F1045-P1269 WeakPolarHBondContact CZ-O 3.34Å; P1269-L1271 VanDerWaalsContact C-N 3.34Å; P1269-L1271 PolarHBondContact O-N 3.24Å; P1269-Y1273 WeakPolarHBondContact O-CB 3.45Å; P1269-Y1273 PolarHBondContact O-N 2.97Å; P1269-Y1273 VanDerWaalsContact O-N 3.1Å; P1269-P1289 HydrophobicContact CG-CB 4.09Å
1270V93.1Very high88.9Confident7 Ų727.6 Ų27.64%0.04215%0.147CC..Hα-helixtrans-66.7-37.8178.2-1750000111.7F1045 R1047 K1186 L1189 R1190 L1267 A1268F1045-V1270 HydrophobicContact CZ-CG2 4.32Å; R1047-V1270 PolarHBondContact NH2-O 3.28Å; K1186-V1270 HydrophobicContact CD-CG2 4.46Å; K1186-V1270 WeakPolarHBondContact O-CG1 3.24Å; L1189-V1270 HydrophobicContact CB-CG1 3.56Å; R1190-V1270 HydrophobicContact CB-CG1 4.26Å; L1267-V1270 WeakPolarHBondContact O-CB 3.32Å; L1267-V1270 PolarHBondContact O-N 2.87Å; A1268-V1270 VanDerWaalsContact C-N 3.28Å; A1268-V1270 PolarHBondContact O-N 3.21Å
1271L94.7Very high88.1Confident1 Ų133.3 Ų33.31%0.00518%0.176CC..Hα-helixtrans-85.7-30.1-173.9-71.9171.6000114.5L1189 P1195 L1196 F1197 F1246 L1267 A1268 P1269 F1296L1189-L1271 HydrophobicContact CD1-CD2 4.04Å; P1195-L1271 WeakPolarHBondContact CB-O 3.16Å; L1196-L1271 HydrophobicContact CB-CD2 4.29Å; L1196-L1271 HydrophobicContact CD2-CD2 4.08Å; F1197-L1271 HydrophobicContact CD2-CB 3.92Å; F1197-L1271 HydrophobicContact CE2-CB 4.04Å; F1197-L1271 HydrophobicContact CE2-CD1 4.33Å; F1197-L1271 PolarHBondContact N-O 2.81Å; F1246-L1271 HydrophobicContact CE2-CD1 4.3Å; L1267-L1271 HydrophobicContact CB-CD1 3.92Å; L1267-L1271 WeakPolarHBondContact O-CG 3.5Å; L1267-L1271 PolarHBondContact O-N 3.26Å; A1268-L1271 PolarHBondContact O-N 2.9Å; P1269-L1271 VanDerWaalsContact C-N 3.34Å; P1269-L1271 PolarHBondContact O-N 3.24Å; L1271-F1296 HydrophobicContact CD1-CD2 4.16Å; L1271-F1296 HydrophobicContact CD1-CE1 4.03Å; L1271-F1296 HydrophobicContact CD1-CE2 3.56Å; L1271-F1296 HydrophobicContact CD1-CZ 3.46Å; L1271-F1296 VanDerWaalsContact CD1-CZ 3.46Å
1272F93.1Very high87.6Confident0 Ų031.9 Ų31.90%017%0.171CC..Hα-helixtrans-113.1-26.2-173.8-75.4-81.7000115.6F1197 Y1202 F1205 A1268 P1274 M1292 I1295 F1296 I1299F1197-F1272 HydrophobicContact CB-CD1 3.69Å; F1197-F1272 HydrophobicContact CB-CE1 3.61Å; F1197-F1272 HydrophobicContact CB-CG 4.43Å; F1197-F1272 HydrophobicContact CB-CZ 4.25Å; F1197-F1272 HydrophobicContact CD1-CD1 4.33Å; F1197-F1272 AromaticContact CD1-CE1 3.39Å; F1197-F1272 HydrophobicContact CD1-CE1 3.39Å; F1197-F1272 HydrophobicContact CD1-CE2 4.36Å; F1197-F1272 AromaticContact CD1-CZ 3.42Å; F1197-F1272 HydrophobicContact CD1-CZ 3.42Å; F1197-F1272 VanDerWaalsContact CD1-CZ 3.42Å; F1197-F1272 HydrophobicContact CD2-CD1 4.28Å; F1197-F1272 HydrophobicContact CD2-CD2 4.24Å; F1197-F1272 AromaticContact CD2-CE1 3.93Å; F1197-F1272 HydrophobicContact CD2-CE1 3.93Å; F1197-F1272 AromaticContact CD2-CE2 3.82Å; F1197-F1272 HydrophobicContact CD2-CE2 3.82Å; F1197-F1272 HydrophobicContact CD2-CG 4.45Å; F1197-F1272 AromaticContact CD2-CZ 3.68Å; F1197-F1272 HydrophobicContact CD2-CZ 3.68Å; F1197-F1272 AromaticContact CE1-CE1 3.95Å; F1197-F1272 HydrophobicContact CE1-CE1 3.95Å; F1197-F1272 HydrophobicContact CE1-CE2 4.29Å; F1197-F1272 AromaticContact CE1-CZ 3.47Å; F1197-F1272 HydrophobicContact CE1-CZ 3.47Å; F1197-F1272 VanDerWaalsContact CE1-CZ 3.47Å; F1197-F1272 HydrophobicContact CE2-CD2 4.49Å; F1197-F1272 HydrophobicContact CE2-CE1 4.43Å; F1197-F1272 AromaticContact CE2-CE2 3.75Å; F1197-F1272 HydrophobicContact CE2-CE2 3.75Å; F1197-F1272 AromaticContact CE2-CZ 3.73Å; F1197-F1272 HydrophobicContact CE2-CZ 3.73Å; F1197-F1272 AromaticContact CG-CD1 3.86Å; F1197-F1272 HydrophobicContact CG-CD1 3.86Å; F1197-F1272 AromaticContact CG-CE1 3.36Å; F1197-F1272 HydrophobicContact CG-CE1 3.36Å; F1197-F1272 HydrophobicContact CG-CE2 4.12Å; F1197-F1272 HydrophobicContact CG-CG 4.46Å; F1197-F1272 AromaticContact CG-CZ 3.51Å; F1197-F1272 HydrophobicContact CG-CZ 3.51Å; F1197-F1272 HydrophobicContact CZ-CE1 4.43Å; F1197-F1272 AromaticContact CZ-CE2 3.99Å; F1197-F1272 HydrophobicContact CZ-CE2 3.99Å; F1197-F1272 AromaticContact CZ-CZ 3.62Å; F1197-F1272 HydrophobicContact CZ-CZ 3.62Å; Y1202-F1272 HydrophobicContact CD2-CB 4.07Å; Y1202-F1272 AromaticContact CD2-CD1 3.55Å; Y1202-F1272 HydrophobicContact CD2-CD1 3.55Å; Y1202-F1272 HydrophobicContact CD2-CE1 4.37Å; Y1202-F1272 HydrophobicContact CD2-CG 4.15Å; Y1202-F1272 HydrophobicContact CE2-CB 4.2Å; Y1202-F1272 HydrophobicContact CE2-CD1 4.22Å; Y1202-F1272 HydrophobicContact CE2-CG 4.44Å; Y1202-F1272 HydrophobicContact CG-CD1 4.4Å; F1205-F1272 HydrophobicContact CB-CE1 4.49Å; F1205-F1272 HydrophobicContact CD2-CE1 4.04Å; F1205-F1272 HydrophobicContact CG-CE1 4.28Å; A1268-F1272 HydrophobicContact CB-CD2 4.29Å; A1268-F1272 WeakPolarHBondContact O-CB 3.32Å; A1268-F1272 PolarHBondContact O-N 3.4Å; F1272-P1274 VanDerWaalsContact O-CD 3.29Å; F1272-P1274 WeakPolarHBondContact O-CD 3.36Å; F1272-M1292 HydrophobicContact CB-CB 4.32Å; F1272-M1292 HydrophobicContact CB-CG 4.1Å; F1272-M1292 HydrophobicContact CB-SD 4.03Å; F1272-I1295 HydrophobicContact CE1-CG2 4.04Å; F1272-I1295 HydrophobicContact CE2-CG2 4.32Å; F1272-I1295 HydrophobicContact CZ-CG2 3.71Å; F1272-F1296 HydrophobicContact CE2-CB 3.85Å; F1272-F1296 AromaticContact CE2-CD2 3.81Å; F1272-F1296 HydrophobicContact CE2-CD2 3.81Å; F1272-F1296 HydrophobicContact CE2-CG 4.19Å; F1272-F1296 HydrophobicContact CZ-CD2 4.49Å; F1272-I1299 HydrophobicContact CZ-CD1 3.93Å
1273Y89.5Confident87.1Confident13 Ų1333.4 Ų33.45%0.05118%0.179CC..PPolyproline II helixtrans-62.9117.2-167-163.1-78000111.1L1041 F1045 R1047 P1269 M1292L1041-Y1273 HydrophobicContact CD2-CD2 3.86Å; L1041-Y1273 HydrophobicContact CD2-CE2 3.4Å; L1041-Y1273 VanDerWaalsContact CD2-CE2 3.4Å; L1041-Y1273 HydrophobicContact CG-CD2 3.98Å; L1041-Y1273 HydrophobicContact CG-CE2 3.63Å; F1045-Y1273 HydrophobicContact CB-CD1 3.31Å; F1045-Y1273 HydrophobicContact CB-CE1 3.85Å; F1045-Y1273 HydrophobicContact CB-CG 4.02Å; F1045-Y1273 AromaticContact CD2-CD1 3.99Å; F1045-Y1273 HydrophobicContact CD2-CD1 3.99Å; F1045-Y1273 HydrophobicContact CD2-CD2 4.39Å; F1045-Y1273 AromaticContact CD2-CG 3.85Å; F1045-Y1273 HydrophobicContact CD2-CG 3.85Å; F1045-Y1273 AromaticContact CG-CD1 3.76Å; F1045-Y1273 HydrophobicContact CG-CD1 3.76Å; F1045-Y1273 AromaticContact CG-CG 3.93Å; F1045-Y1273 HydrophobicContact CG-CG 3.93Å; R1047-Y1273 PolarHBondContact NE-O 3.48Å; P1269-Y1273 WeakPolarHBondContact O-CB 3.45Å; P1269-Y1273 PolarHBondContact O-N 2.97Å; P1269-Y1273 VanDerWaalsContact O-N 3.1Å; Y1273-M1292 HydrophobicContact CD2-CE 3.58Å; Y1273-M1292 HydrophobicContact CD2-SD 4.07Å; Y1273-M1292 HydrophobicContact CE2-CE 4.29Å; Y1273-M1292 HydrophobicContact CG-CE 4.2Å
1274P85.8Confident86.4Confident0 Ų038 Ų380%021%0.208CC..PPolyproline II helixtrans-75.2164.1-170.930.3-35.1000111.9Y1202 F1272 A1279 L1282 L1287Y1202-P1274 HydrophobicContact CD1-CG 4.39Å; F1272-P1274 VanDerWaalsContact O-CD 3.29Å; F1272-P1274 WeakPolarHBondContact O-CD 3.36Å; P1274-A1279 HydrophobicContact CG-CB 4.17Å; P1274-L1282 HydrophobicContact CG-CD1 4.18Å; P1274-L1287 HydrophobicContact CG-CD2 3.61Å
1275S78.3Confident85.8Confident1 Ų142.8 Ų42.81%0.00723%0.234CC..PPolyproline II helixtrans-58.8146.8174.7850000110.7S1277 S1278 A1279S1275-S1277 PolarHBondContact O-N 3.34Å; S1275-S1277 PolarHBondContact OG-N 3.44Å; S1275-S1278 WeakPolarHBondContact O-CA 3.45Å; S1275-S1278 WeakPolarHBondContact O-CB 3.36Å; S1275-S1278 PolarHBondContact O-N 2.9Å; S1275-S1278 PolarHBondContact OG-N 2.86Å; S1275-S1278 VanDerWaalsContact OG-N 3.1Å; S1275-S1278 PolarHBondContact OG-OG 2.9Å; S1275-A1279 WeakPolarHBondContact O-CB 3.4Å; S1275-A1279 PolarHBondContact O-N 2.84Å
1276P74.4Confident85.4Confident24 Ų2442 Ų4216%0.15623%0.228CC..THydrogen-bonded Turntrans-63.4-10.2175.3-29.639.6000114.8F1045 H1046 R1280F1045-P1276 WeakPolarHBondContact O-CD 3.35Å; H1046-P1276 HydrophobicContact CB-CG 4.32Å; P1276-R1280 WeakPolarHBondContact O-CD 3.38Å; P1276-R1280 VanDerWaalsContact O-CG 3.29Å; P1276-R1280 WeakPolarHBondContact O-CG 3.38Å; P1276-R1280 PolarHBondContact O-NE 3.35Å; P1276-R1280 VanDerWaalsContact O-NE 3.15Å
1277S74.1Confident85.1Confident71 Ų7142.3 Ų42.350%0.49723%0.229SC..THydrogen-bonded Turntrans-77.4-45.2167.2-61.20000111.1S1275S1275-S1277 PolarHBondContact O-N 3.34Å; S1275-S1277 PolarHBondContact OG-N 3.44Å
1278S80.6Confident84.6Confident40 Ų4046.3 Ų46.328%0.2825%0.247SC..THydrogen-bonded Turntrans-69.5-39.4176.5-470000112.3S1275 R1280 N1281S1275-S1278 WeakPolarHBondContact O-CA 3.45Å; S1275-S1278 WeakPolarHBondContact O-CB 3.36Å; S1275-S1278 PolarHBondContact O-N 2.9Å; S1275-S1278 PolarHBondContact OG-N 2.86Å; S1275-S1278 VanDerWaalsContact OG-N 3.1Å; S1275-S1278 PolarHBondContact OG-OG 2.9Å; S1278-R1280 VanDerWaalsContact C-N 3.27Å; S1278-R1280 PolarHBondContact O-N 3.42Å; S1278-N1281 PolarHBondContact O-N 3.37Å
1279A81.1Confident84.3Confident13 Ų1346.8 Ų46.811%0.10725%0.25CS..G310 helixtrans-63.2-27.7-176.900000113.7P1274 S1275 N1281 L1282 L1287P1274-A1279 HydrophobicContact CG-CB 4.17Å; S1275-A1279 WeakPolarHBondContact O-CB 3.4Å; S1275-A1279 PolarHBondContact O-N 2.84Å; A1279-N1281 PolarHBondContact O-N 2.84Å; A1279-N1281 VanDerWaalsContact O-N 3.12Å; A1279-L1282 PolarHBondContact O-N 3.46Å; A1279-L1282 VanDerWaalsContact O-N 3.11Å; A1279-L1287 HydrophobicContact CB-CD1 3.97Å
1280R77.9Confident84.2Confident195 Ų19552 Ų5274%0.73627%0.268SS*.G310 helixtrans-56.8-26.6179.4-75.6163.2-167.8-1591114.1P1276 S1278P1276-R1280 WeakPolarHBondContact O-CD 3.38Å; P1276-R1280 VanDerWaalsContact O-CG 3.29Å; P1276-R1280 WeakPolarHBondContact O-CG 3.38Å; P1276-R1280 PolarHBondContact O-NE 3.35Å; P1276-R1280 VanDerWaalsContact O-NE 3.15Å; S1278-R1280 VanDerWaalsContact C-N 3.27Å; S1278-R1280 PolarHBondContact O-N 3.42Å
1281N78.8Confident84.1Confident149 Ų14954.5 Ų54.580%0.79728%0.278SS*.G310 helixtrans-99.21.4-175.3-61.8-17.8000112.8S1278 A1279S1278-N1281 PolarHBondContact O-N 3.37Å; A1279-N1281 PolarHBondContact O-N 2.84Å; A1279-N1281 VanDerWaalsContact O-N 3.12Å
1282L84.3Confident84Confident38 Ų3854.4 Ų54.420%0.19928%0.277CS..SBendtrans-103.8153.6179.6-57.4-179.3000110.4Y1202 P1203 P1274 A1279 L1287Y1202-L1282 HydrophobicContact CD1-CD1 4.18Å; Y1202-L1282 HydrophobicContact CE1-CD1 4.41Å; P1203-L1282 HydrophobicContact CB-CD2 4.49Å; P1203-L1282 HydrophobicContact CG-CD1 4.34Å; P1203-L1282 HydrophobicContact CG-CD2 3.65Å; P1274-L1282 HydrophobicContact CG-CD1 4.18Å; A1279-L1282 PolarHBondContact O-N 3.46Å; A1279-L1282 VanDerWaalsContact O-N 3.11Å; L1282-L1287 HydrophobicContact CD1-CD2 4.23Å
1283D82.6Confident84Confident74 Ų7454.5 Ų54.540%0.39628%0.278SS..  trans-65.9124.8170.7176.25.2000109.4N1285 I1286D1283-N1285 VanDerWaalsContact CG-ND2 3.27Å; D1283-N1285 PolarHBondContact O-N 2.87Å; D1283-N1285 VanDerWaalsContact O-N 3.08Å; D1283-N1285 VanDerWaalsContact OD1-CG 3.32Å; D1283-N1285 PolarHBondContact OD1-N 3.01Å; D1283-N1285 PolarHBondContact OD1-ND2 3.38Å; D1283-N1285 PolarHBondContact OD2-ND2 2.94Å; D1283-I1286 HydrophobicContact CB-CD1 4Å; D1283-I1286 HydrophobicContact CB-CG1 4.05Å; D1283-I1286 WeakPolarHBondContact O-CB 3.36Å; D1283-I1286 PolarHBondContact O-N 3.31Å
1284P81.7Confident84.1Confident96 Ų9658.4 Ų58.462%0.62330%0.297SS*.THydrogen-bonded Turntrans-55.4-23.2175.522.7-35.2000114.5I1286 L1287P1284-I1286 VanDerWaalsContact C-N 3.25Å; P1284-I1286 PolarHBondContact O-N 3.35Å; P1284-L1287 PolarHBondContact O-N 2.92Å
1285N82.4Confident84.4Confident100 Ų10058.6 Ų58.654%0.53530%0.298SS..THydrogen-bonded Turntrans-66-27.3174-55.3-51.5000112.8D1283D1283-N1285 VanDerWaalsContact CG-ND2 3.27Å; D1283-N1285 PolarHBondContact O-N 2.87Å; D1283-N1285 VanDerWaalsContact O-N 3.08Å; D1283-N1285 VanDerWaalsContact OD1-CG 3.32Å; D1283-N1285 PolarHBondContact OD1-N 3.01Å; D1283-N1285 PolarHBondContact OD1-ND2 3.38Å; D1283-N1285 PolarHBondContact OD2-ND2 2.94Å
1286I86.4Confident85.2Confident26 Ų2658.5 Ų58.513%0.13330%0.297CS..THydrogen-bonded Turntrans-72.8-38177.2-59.5176.9000109.7Y1202 Y1206 D1283 P1284 E1288Y1202-I1286 HydrophobicContact CE1-CG2 3.97Å; Y1202-I1286 PolarHBondContact OH-O 3.17Å; Y1206-I1286 HydrophobicContact CD1-CD1 3.98Å; Y1206-I1286 HydrophobicContact CD1-CG1 4Å; Y1206-I1286 HydrophobicContact CD1-CG2 3.95Å; Y1206-I1286 HydrophobicContact CD2-CG2 3.91Å; Y1206-I1286 HydrophobicContact CE1-CD1 3.95Å; Y1206-I1286 HydrophobicContact CE1-CG1 3.66Å; Y1206-I1286 HydrophobicContact CE1-CG2 4.31Å; Y1206-I1286 HydrophobicContact CE2-CG2 4.27Å; Y1206-I1286 HydrophobicContact CG-CG2 3.74Å; D1283-I1286 HydrophobicContact CB-CD1 4Å; D1283-I1286 HydrophobicContact CB-CG1 4.05Å; D1283-I1286 WeakPolarHBondContact O-CB 3.36Å; D1283-I1286 PolarHBondContact O-N 3.31Å; P1284-I1286 VanDerWaalsContact C-N 3.25Å; P1284-I1286 PolarHBondContact O-N 3.35Å; I1286-E1288 PolarHBondContact O-N 3.29Å
1287L85.7Confident86.2Confident22 Ų2260 Ų6012%0.11530%0.302CS..THydrogen-bonded Turntrans-71.88.2-174.7-64.3171.1000114.8Y1202 P1274 A1279 L1282 P1284 M1292Y1202-L1287 HydrophobicContact CE1-CD2 4Å; P1274-L1287 HydrophobicContact CG-CD2 3.61Å; A1279-L1287 HydrophobicContact CB-CD1 3.97Å; L1282-L1287 HydrophobicContact CD1-CD2 4.23Å; P1284-L1287 PolarHBondContact O-N 2.92Å; L1287-M1292 HydrophobicContact CD2-CE 4.2Å
1288E86.7Confident87Confident83 Ų8357.7 Ų57.739%0.38828%0.282SS..  trans-66.8131.8174.3-70.6-167.3165.600111.7I1286 R1290 K1291 M1292I1286-E1288 PolarHBondContact O-N 3.29Å; E1288-R1290 PolarHBondContact O-N 2.9Å; E1288-R1290 VanDerWaalsContact O-N 3.12Å; E1288-K1291 HydrophobicContact CB-CG 4.26Å; E1288-K1291 PolarHBondContact O-N 3.5Å; E1288-M1292 PolarHBondContact O-N 3.34Å
1289P88.7Confident87.6Confident10 Ų1055.8 Ų55.87%0.06527%0.269CS..Hα-helixtrans-50.8-38.1176.1-3137000114.1E955 L1041 P1269 K1291 M1292 A1293E955-P1289 HydrophobicContact CG-CB 4.12Å; L1041-P1289 HydrophobicContact CD2-CG 3.76Å; P1269-P1289 HydrophobicContact CG-CB 4.09Å; P1289-K1291 VanDerWaalsContact C-N 3.29Å; P1289-K1291 PolarHBondContact O-N 2.87Å; P1289-M1292 WeakPolarHBondContact O-CB 3.43Å; P1289-M1292 PolarHBondContact O-N 3.39Å; P1289-A1293 PolarHBondContact O-N 2.94Å
1290R89.1Confident88.2Confident130 Ų13055.2 Ų55.249%0.49126%0.264SS..Hα-helixtrans-55.6-41.2175.7-63.3176.8-176.5-116.7-5112.6E955 D956 E1288 A1293 E1294E955-R1290 VanDerWaalsContact OE1-CG 3.25Å; E955-R1290 WeakPolarHBondContact OE1-CG 3.38Å; E955-R1290 PolarHBondContact OE1-N 3.41Å; D956-R1290 IonicContact OD2-CZ 2.68Å; D956-R1290 IonicContact OD2-NE 2.76Å; D956-R1290 PolarHBondContact OD2-NE 2.84Å; D956-R1290 IonicContact OD2-NH2 2.74Å; D956-R1290 PolarHBondContact OD2-NH2 3.36Å; E1288-R1290 PolarHBondContact O-N 2.9Å; E1288-R1290 VanDerWaalsContact O-N 3.12Å; R1290-A1293 PolarHBondContact O-N 2.9Å; R1290-E1294 WeakPolarHBondContact O-CG 3.35Å; R1290-E1294 PolarHBondContact O-N 3.45Å
1291K90.5Very high88.8Confident58 Ų5850.5 Ų50.525%0.25225%0.25SS..Hα-helixtrans-73.6-35.7-179.7-64.2-46.8-170.8-172.40112.3Y1206 E1288 P1289 A1293 E1294 I1295Y1206-K1291 HydrophobicContact CD2-CB 4.42Å; Y1206-K1291 HydrophobicContact CE2-CB 4.14Å; Y1206-K1291 HydrophobicContact CE2-CD 4.45Å; Y1206-K1291 HydrophobicContact CE2-CG 4.13Å; E1288-K1291 HydrophobicContact CB-CG 4.26Å; E1288-K1291 PolarHBondContact O-N 3.5Å; P1289-K1291 VanDerWaalsContact C-N 3.29Å; P1289-K1291 PolarHBondContact O-N 2.87Å; K1291-A1293 VanDerWaalsContact C-N 3.33Å; K1291-E1294 VanDerWaalsContact CD-OE2 3.24Å; K1291-E1294 WeakPolarHBondContact CD-OE2 3.21Å; K1291-E1294 IonicContact NZ-OE1 2.66Å; K1291-E1294 PolarHBondContact NZ-OE1 2.89Å; K1291-E1294 IonicContact NZ-OE2 2.76Å; K1291-E1294 PolarHBondContact NZ-OE2 2.96Å; K1291-E1294 PolarHBondContact O-N 3.32Å; K1291-I1295 WeakPolarHBondContact O-CD1 3.47Å; K1291-I1295 VanDerWaalsContact O-CG1 3.26Å; K1291-I1295 WeakPolarHBondContact O-CG1 3.43Å; K1291-I1295 PolarHBondContact O-N 3.4Å; K1291-I1295 VanDerWaalsContact O-N 3.1Å
1292M92Very high89.2Confident0 Ų045.5 Ų45.50%022%0.223CC..Hα-helixtrans-61.8-42.6168.4-58.1179.4-178.300110.9Y1202 A1268 F1272 Y1273 L1287 E1288 P1289 I1295 F1296Y1202-M1292 HydrophobicContact CE1-CE 4.07Å; Y1202-M1292 HydrophobicContact CE2-CE 4.37Å; Y1202-M1292 HydrophobicContact CE2-CG 3.99Å; Y1202-M1292 VanDerWaalsContact OH-CE 3.25Å; Y1202-M1292 WeakPolarHBondContact OH-CE 3.36Å; Y1202-M1292 WeakPolarHBondContact OH-CG 3.46Å; A1268-M1292 HydrophobicContact CB-CB 3.83Å; A1268-M1292 VanDerWaalsContact CB-O 3.27Å; A1268-M1292 WeakPolarHBondContact CB-O 3.36Å; F1272-M1292 HydrophobicContact CB-CB 4.32Å; F1272-M1292 HydrophobicContact CB-CG 4.1Å; F1272-M1292 HydrophobicContact CB-SD 4.03Å; Y1273-M1292 HydrophobicContact CD2-CE 3.58Å; Y1273-M1292 HydrophobicContact CD2-SD 4.07Å; Y1273-M1292 HydrophobicContact CE2-CE 4.29Å; Y1273-M1292 HydrophobicContact CG-CE 4.2Å; L1287-M1292 HydrophobicContact CD2-CE 4.2Å; E1288-M1292 PolarHBondContact O-N 3.34Å; P1289-M1292 WeakPolarHBondContact O-CB 3.43Å; P1289-M1292 PolarHBondContact O-N 3.39Å; M1292-I1295 PolarHBondContact O-N 2.96Å; M1292-F1296 PolarHBondContact O-N 3.41Å
1293A93.2Very high89.5Confident2 Ų244.2 Ų44.22%0.01722%0.216CC..Hα-helixtrans-66.8-38.7177.900000113.1A1264 A1268 P1289 R1290 K1291 K1297A1264-A1293 HydrophobicContact CB-CB 4.45Å; A1268-A1293 HydrophobicContact CB-CB 4.4Å; P1289-A1293 PolarHBondContact O-N 2.94Å; R1290-A1293 PolarHBondContact O-N 2.9Å; K1291-A1293 VanDerWaalsContact C-N 3.33Å; A1293-K1297 WeakPolarHBondContact O-CB 3.44Å; A1293-K1297 PolarHBondContact O-N 2.97Å
1294E91.9Very high89.6Confident95 Ų9543.7 Ų43.744%0.44422%0.216SC..Hα-helixtrans-58.2-49.4171.6-76.2170.6-153.600111.5R1290 K1291 F1298R1290-E1294 WeakPolarHBondContact O-CG 3.35Å; R1290-E1294 PolarHBondContact O-N 3.45Å; K1291-E1294 VanDerWaalsContact CD-OE2 3.24Å; K1291-E1294 WeakPolarHBondContact CD-OE2 3.21Å; K1291-E1294 IonicContact NZ-OE1 2.66Å; K1291-E1294 PolarHBondContact NZ-OE1 2.89Å; K1291-E1294 IonicContact NZ-OE2 2.76Å; K1291-E1294 PolarHBondContact NZ-OE2 2.96Å; K1291-E1294 PolarHBondContact O-N 3.32Å; E1294-F1298 PolarHBondContact O-N 2.92Å
1295I93Very high89.2Confident3 Ų343 Ų432%0.01521%0.207CC..Hα-helixtrans-57.9-53176.9-66.8160.1000111.2Y1202 F1205 Y1206 M1209 F1272 K1291 M1292 K1297 F1298 I1299Y1202-I1295 HydrophobicContact CD2-CD1 4.34Å; Y1202-I1295 HydrophobicContact CE2-CD1 3.75Å; F1205-I1295 HydrophobicContact CB-CG2 3.9Å; F1205-I1295 HydrophobicContact CG-CG2 4.5Å; Y1206-I1295 HydrophobicContact CD2-CD1 4.27Å; M1209-I1295 HydrophobicContact CB-CG1 4.42Å; M1209-I1295 HydrophobicContact CG-CB 4.46Å; M1209-I1295 HydrophobicContact CG-CG1 3.97Å; F1272-I1295 HydrophobicContact CE1-CG2 4.04Å; F1272-I1295 HydrophobicContact CE2-CG2 4.32Å; F1272-I1295 HydrophobicContact CZ-CG2 3.71Å; K1291-I1295 WeakPolarHBondContact O-CD1 3.47Å; K1291-I1295 VanDerWaalsContact O-CG1 3.26Å; K1291-I1295 WeakPolarHBondContact O-CG1 3.43Å; K1291-I1295 PolarHBondContact O-N 3.4Å; K1291-I1295 VanDerWaalsContact O-N 3.1Å; M1292-I1295 PolarHBondContact O-N 2.96Å; I1295-K1297 PolarHBondContact O-N 3.14Å; I1295-F1298 PolarHBondContact O-N 3.43Å; I1295-I1299 HydrophobicContact CG2-CD1 3.95Å; I1295-I1299 WeakPolarHBondContact O-CG1 3.37Å; I1295-I1299 PolarHBondContact O-N 3.32Å; I1295-I1299 VanDerWaalsContact O-N 3.13Å
1296F94.9Very high88Confident0 Ų042.6 Ų42.60%021%0.205CC..Hα-helixtrans-69.8-34.4-174-168.4-113.4000112.9F1197 L1243 F1246 A1264 L1267 A1268 L1271 F1272 M1292 I1299 L1300F1197-F1296 HydrophobicContact CE2-CD2 4.04Å; F1197-F1296 AromaticContact CE2-CE2 3.94Å; F1197-F1296 HydrophobicContact CE2-CE2 3.94Å; F1197-F1296 AromaticContact CZ-CD2 3.92Å; F1197-F1296 HydrophobicContact CZ-CD2 3.92Å; F1197-F1296 AromaticContact CZ-CE2 3.92Å; F1197-F1296 HydrophobicContact CZ-CE2 3.92Å; L1243-F1296 HydrophobicContact CD2-CE2 3.93Å; L1243-F1296 HydrophobicContact CD2-CZ 4.31Å; F1246-F1296 HydrophobicContact CD2-CE1 4.5Å; F1246-F1296 AromaticContact CD2-CZ 3.75Å; F1246-F1296 HydrophobicContact CD2-CZ 3.75Å; F1246-F1296 HydrophobicContact CE2-CZ 4.1Å; A1264-F1296 HydrophobicContact CB-CB 4.23Å; A1264-F1296 HydrophobicContact CB-CD1 3.8Å; L1267-F1296 HydrophobicContact CB-CE1 4.23Å; L1267-F1296 HydrophobicContact CD1-CE1 4.38Å; A1268-F1296 HydrophobicContact CB-CB 3.8Å; A1268-F1296 HydrophobicContact CB-CG 4.41Å; L1271-F1296 HydrophobicContact CD1-CD2 4.16Å; L1271-F1296 HydrophobicContact CD1-CE1 4.03Å; L1271-F1296 HydrophobicContact CD1-CE2 3.56Å; L1271-F1296 HydrophobicContact CD1-CZ 3.46Å; L1271-F1296 VanDerWaalsContact CD1-CZ 3.46Å; F1272-F1296 HydrophobicContact CE2-CB 3.85Å; F1272-F1296 AromaticContact CE2-CD2 3.81Å; F1272-F1296 HydrophobicContact CE2-CD2 3.81Å; F1272-F1296 HydrophobicContact CE2-CG 4.19Å; F1272-F1296 HydrophobicContact CZ-CD2 4.49Å; M1292-F1296 PolarHBondContact O-N 3.41Å; F1296-I1299 PolarHBondContact O-N 2.98Å; F1296-L1300 HydrophobicContact CD1-CD1 3.97Å; F1296-L1300 HydrophobicContact CD1-CG 4.31Å; F1296-L1300 HydrophobicContact CE1-CD1 3.63Å; F1296-L1300 HydrophobicContact CE1-CD2 4.4Å; F1296-L1300 HydrophobicContact CE1-CG 4.03Å; F1296-L1300 HydrophobicContact CZ-CD1 4.28Å; F1296-L1300 HydrophobicContact CZ-CD2 4.24Å; F1296-L1300 HydrophobicContact CZ-CG 4.27Å; F1296-L1300 PolarHBondContact O-N 3.29Å
1297K94.2Very high86.6Confident56 Ų5645.6 Ų45.624%0.24322%0.215CC..Hα-helixtrans-57.5-49.1171.8174.4-175.1-178.9176.50111A1264 A1293 I1295 I1299 L1300 E1301A1264-K1297 HydrophobicContact CB-CB 4.04Å; A1293-K1297 WeakPolarHBondContact O-CB 3.44Å; A1293-K1297 PolarHBondContact O-N 2.97Å; I1295-K1297 PolarHBondContact O-N 3.14Å; K1297-I1299 VanDerWaalsContact C-N 3.3Å; K1297-I1299 PolarHBondContact O-N 3.4Å; K1297-L1300 PolarHBondContact O-N 2.94Å; K1297-L1300 VanDerWaalsContact O-N 3.16Å; K1297-E1301 WeakPolarHBondContact CE-OE1 3.41Å; K1297-E1301 HydrophobicContact CG-CG 4.42Å; K1297-E1301 VanDerWaalsContact CG-OE1 3.28Å; K1297-E1301 WeakPolarHBondContact CG-OE1 3.35Å; K1297-E1301 WeakPolarHBondContact O-CB 3.46Å; K1297-E1301 WeakPolarHBondContact O-CG 3.25Å; K1297-E1301 PolarHBondContact O-N 3.26Å
1298F91.3Very high84.4Confident22 Ų2247 Ų4710%0.09623%0.226CC..Hα-helixtrans-60.4-40.7178.2-178-109.5000111.8M1209 A1221 V1224 E1294 I1295 L1300 E1301 I1302M1209-F1298 HydrophobicContact CE-CB 3.8Å; M1209-F1298 HydrophobicContact CE-CD1 3.48Å; M1209-F1298 VanDerWaalsContact CE-CD1 3.48Å; M1209-F1298 HydrophobicContact CE-CD2 3.73Å; M1209-F1298 HydrophobicContact CE-CE1 3.9Å; M1209-F1298 HydrophobicContact CE-CE2 4.12Å; M1209-F1298 HydrophobicContact CE-CG 3.38Å; M1209-F1298 HydrophobicContact CE-CZ 4.19Å; M1209-F1298 HydrophobicContact SD-CB 3.35Å; M1209-F1298 WeakPolarHBondContact SD-CB 3.41Å; M1209-F1298 HydrophobicContact SD-CD1 3.69Å; M1209-F1298 HydrophobicContact SD-CD2 4.44Å; M1209-F1298 HydrophobicContact SD-CG 3.59Å; M1209-F1298 VanDerWaalsContact SD-CG 3.59Å; A1221-F1298 HydrophobicContact CB-CE1 4.48Å; A1221-F1298 HydrophobicContact CB-CZ 4.07Å; V1224-F1298 HydrophobicContact CB-CE1 4.29Å; V1224-F1298 HydrophobicContact CG2-CD1 4.11Å; V1224-F1298 HydrophobicContact CG2-CE1 3.91Å; E1294-F1298 PolarHBondContact O-N 2.92Å; I1295-F1298 PolarHBondContact O-N 3.43Å; F1298-L1300 PolarHBondContact O-N 3.39Å; F1298-E1301 PolarHBondContact O-N 3.33Å; F1298-I1302 HydrophobicContact CD1-CD1 4.36Å; F1298-I1302 HydrophobicContact CD2-CG2 4.26Å; F1298-I1302 HydrophobicContact CE1-CD1 4.09Å; F1298-I1302 HydrophobicContact CE1-CG2 4.17Å; F1298-I1302 HydrophobicContact CE2-CG2 3.89Å; F1298-I1302 HydrophobicContact CZ-CG2 3.84Å; F1298-I1302 WeakPolarHBondContact O-CG1 3.43Å; F1298-I1302 WeakPolarHBondContact O-CG2 3.44Å; F1298-I1302 PolarHBondContact O-N 3.42Å
1299I93.1Very high82Confident0 Ų050.1 Ų50.10%024%0.239CC..Hα-helixtrans-58.1-46.6174.2-68.1164000111.3F1197 F1205 V1224 L1228 L1243 F1272 I1295 F1296 K1297 E1301 I1302 W1303F1197-I1299 HydrophobicContact CE1-CD1 3.76Å; F1197-I1299 HydrophobicContact CZ-CD1 4.11Å; F1205-I1299 HydrophobicContact CD1-CD1 4.28Å; F1205-I1299 HydrophobicContact CE1-CD1 4.28Å; V1224-I1299 HydrophobicContact CG1-CD1 4.27Å; V1224-I1299 HydrophobicContact CG1-CG1 3.59Å; L1228-I1299 HydrophobicContact CD1-CG2 4.4Å; L1243-I1299 HydrophobicContact CD1-CG2 4.3Å; L1243-I1299 HydrophobicContact CD2-CG2 3.84Å; F1272-I1299 HydrophobicContact CZ-CD1 3.93Å; I1295-I1299 HydrophobicContact CG2-CD1 3.95Å; I1295-I1299 WeakPolarHBondContact O-CG1 3.37Å; I1295-I1299 PolarHBondContact O-N 3.32Å; I1295-I1299 VanDerWaalsContact O-N 3.13Å; F1296-I1299 PolarHBondContact O-N 2.98Å; K1297-I1299 VanDerWaalsContact C-N 3.3Å; K1297-I1299 PolarHBondContact O-N 3.4Å; I1299-E1301 VanDerWaalsContact C-N 3.34Å; I1299-E1301 PolarHBondContact O-N 3.08Å; I1299-I1302 WeakPolarHBondContact O-CG1 3.48Å; I1299-I1302 PolarHBondContact O-N 3.32Å; I1299-W1303 WeakPolarHBondContact O-CB 3.39Å; I1299-W1303 PolarHBondContact O-N 3.42Å
1300L92.9Very high79.4Confident0 Ų053.3 Ų53.30%026%0.261CS..Hα-helixtrans-68.8-29176.8-67.8179.1000113.7L1243 F1246 K1247 T1250 T1260 L1263 F1296 K1297 F1298L1243-L1300 HydrophobicContact CD2-CD2 4Å; F1246-L1300 HydrophobicContact CB-CD2 3.88Å; K1247-L1300 PolarHBondContact NZ-O 2.94Å; T1250-L1300 HydrophobicContact CG2-CD1 4.45Å; T1260-L1300 HydrophobicContact CG2-CB 4.18Å; L1263-L1300 HydrophobicContact CD2-CD1 4.3Å; F1296-L1300 HydrophobicContact CD1-CD1 3.97Å; F1296-L1300 HydrophobicContact CD1-CG 4.31Å; F1296-L1300 HydrophobicContact CE1-CD1 3.63Å; F1296-L1300 HydrophobicContact CE1-CD2 4.4Å; F1296-L1300 HydrophobicContact CE1-CG 4.03Å; F1296-L1300 HydrophobicContact CZ-CD1 4.28Å; F1296-L1300 HydrophobicContact CZ-CD2 4.24Å; F1296-L1300 HydrophobicContact CZ-CG 4.27Å; F1296-L1300 PolarHBondContact O-N 3.29Å; K1297-L1300 PolarHBondContact O-N 2.94Å; K1297-L1300 VanDerWaalsContact O-N 3.16Å; F1298-L1300 PolarHBondContact O-N 3.39Å
1301E90.6Very high76.9Confident96 Ų9650 Ų5045%0.44925%0.249SC..Hα-helixtrans-74.3-36.8177.1-75.5172.6-177.800112.1T1260 K1297 F1298 I1299T1260-E1301 HydrophobicContact CG2-CG 4Å; T1260-E1301 PolarHBondContact OG1-OE1 2.88Å; T1260-E1301 VanDerWaalsContact OG1-OE1 3.06Å; K1297-E1301 WeakPolarHBondContact CE-OE1 3.41Å; K1297-E1301 HydrophobicContact CG-CG 4.42Å; K1297-E1301 VanDerWaalsContact CG-OE1 3.28Å; K1297-E1301 WeakPolarHBondContact CG-OE1 3.35Å; K1297-E1301 WeakPolarHBondContact O-CB 3.46Å; K1297-E1301 WeakPolarHBondContact O-CG 3.25Å; K1297-E1301 PolarHBondContact O-N 3.26Å; F1298-E1301 PolarHBondContact O-N 3.33Å; I1299-E1301 VanDerWaalsContact C-N 3.34Å; I1299-E1301 PolarHBondContact O-N 3.08Å
1302I89.1Confident73.8Confident44 Ų4456.1 Ų56.123%0.22628%0.276CS..Hα-helixtrans-83.2-12.4173.572.5179.5000113.5A1221 V1224 L1225 F1298 I1299A1221-I1302 HydrophobicContact CB-CB 4.28Å; A1221-I1302 HydrophobicContact CB-CD1 4.01Å; A1221-I1302 HydrophobicContact CB-CG2 3.75Å; V1224-I1302 HydrophobicContact CB-CD1 4.22Å; V1224-I1302 HydrophobicContact CG1-CD1 3.97Å; L1225-I1302 HydrophobicContact CD2-CD1 4.48Å; L1225-I1302 HydrophobicContact CG-CD1 4.14Å; F1298-I1302 HydrophobicContact CD1-CD1 4.36Å; F1298-I1302 HydrophobicContact CD2-CG2 4.26Å; F1298-I1302 HydrophobicContact CE1-CD1 4.09Å; F1298-I1302 HydrophobicContact CE1-CG2 4.17Å; F1298-I1302 HydrophobicContact CE2-CG2 3.89Å; F1298-I1302 HydrophobicContact CZ-CG2 3.84Å; F1298-I1302 WeakPolarHBondContact O-CG1 3.43Å; F1298-I1302 WeakPolarHBondContact O-CG2 3.44Å; F1298-I1302 PolarHBondContact O-N 3.42Å; I1299-I1302 WeakPolarHBondContact O-CG1 3.48Å; I1299-I1302 PolarHBondContact O-N 3.32Å
1303W89.5Confident71Confident12 Ų1262.2 Ų62.25%0.04530%0.302CS..SBendtrans-69.8131.7-179.4-158.2-105.3000111.9L1225 L1228 L1240 L1243 D1244 K1247 I1299L1225-W1303 HydrophobicContact CD2-CZ3 4.24Å; L1228-W1303 HydrophobicContact CD1-CZ3 4.31Å; L1240-W1303 HydrophobicContact CD2-CH2 3.43Å; L1240-W1303 VanDerWaalsContact CD2-CH2 3.43Å; L1240-W1303 HydrophobicContact CD2-CZ2 3.85Å; L1243-W1303 HydrophobicContact CB-CD2 4.06Å; L1243-W1303 HydrophobicContact CB-CG 4.43Å; L1243-W1303 HydrophobicContact CB-CZ2 4.14Å; L1243-W1303 HydrophobicContact CD1-CD2 4.22Å; L1243-W1303 HydrophobicContact CD1-CE3 3.96Å; L1243-W1303 HydrophobicContact CD1-CH2 4.08Å; L1243-W1303 HydrophobicContact CD1-CZ2 4.29Å; L1243-W1303 HydrophobicContact CD1-CZ3 3.88Å; D1244-W1303 PolarHBondContact OD1-NE1 3.42Å; K1247-W1303 HydrophobicContact CD-CB 4.33Å; K1247-W1303 WeakPolarHBondContact CE-O 3.39Å; K1247-W1303 PolarHBondContact NZ-O 3.46Å; I1299-W1303 WeakPolarHBondContact O-CB 3.39Å; I1299-W1303 PolarHBondContact O-N 3.42Å
1304P84.8Confident67.9Low62 Ų6266.2 Ų66.240%0.40332%0.323SS..  trans-73.6130.8-175.729.1-35.5000112.8D1306 R1307P1304-D1306 VanDerWaalsContact C-N 3.27Å; P1304-D1306 PolarHBondContact O-N 3Å; P1304-R1307 HydrophobicContact CG-CG 4.27Å
1305D73.9Confident64.9Low82 Ų8266.4 Ų66.444%0.43933%0.333SS..G310 helixtrans-61.4-34.3176-54.2-80.7000113.5K1247 N1251 S1308K1247-D1305 WeakPolarHBondContact CE-OD1 3.13Å; K1247-D1305 IonicContact NZ-OD1 2.84Å; N1251-D1305 PolarHBondContact ND2-OD1 2.93Å; N1251-D1305 PolarHBondContact OD1-OD1 2.93Å; D1305-S1308 PolarHBondContact O-OG 2.7Å
1306D56.9Low61.9Low91 Ų9169.7 Ų69.749%0.48736%0.361SS..G310 helixtrans-97.94.9-155.1-116.312000115.5P1304 S1308 K1309P1304-D1306 VanDerWaalsContact C-N 3.27Å; P1304-D1306 PolarHBondContact O-N 3Å; D1306-S1308 PolarHBondContact O-N 3.47Å; D1306-K1309 PolarHBondContact O-N 3.17Å; D1306-K1309 VanDerWaalsContact OD1-CD 3.24Å; D1306-K1309 WeakPolarHBondContact OD1-CD 3.34Å; D1306-K1309 WeakPolarHBondContact OD1-CE 3.27Å; D1306-K1309 IonicContact OD1-NZ 3.74Å; D1306-K1309 PolarHBondContact OD1-NZ 3.08Å; D1306-K1309 IonicContact OD2-NZ 2.7Å; D1306-K1309 PolarHBondContact OD2-NZ 2.9Å
1307R56.6Low58.9Low90 Ų9075.3 Ų75.334%0.3439%0.387SS..G310 helixtrans-53.2-34.7162.5-79.2-173.2174.4-130.11110.7Y1095 P1304 K1309 S1310 Y1311Y1095-R1307 PolarHBondContact OH-NH1 2.89Å; P1304-R1307 HydrophobicContact CG-CG 4.27Å; R1307-K1309 PolarHBondContact O-N 3.31Å; R1307-K1309 VanDerWaalsContact O-N 3.07Å; R1307-S1310 PolarHBondContact O-N 3.31Å; R1307-S1310 PolarHBondContact O-OG 3.1Å; R1307-S1310 VanDerWaalsContact O-OG 3.07Å; R1307-Y1311 VanDerWaalsContact O-CD2 3.3Å; R1307-Y1311 WeakPolarHBondContact O-CD2 3.39Å
1308S40.3Very low55.8Low51 Ų5175.8 Ų75.836%0.35740%0.397SS..G310 helixtrans-56.9-20.7180600000115.5D1305 D1306 S1310 Y1311D1305-S1308 PolarHBondContact O-OG 2.7Å; D1306-S1308 PolarHBondContact O-N 3.47Å; S1308-S1310 PolarHBondContact O-N 3.04Å; S1308-Y1311 CarbonylContact O-C 3.47Å; S1308-Y1311 WeakPolarHBondContact O-CA 3.32Å; S1308-Y1311 PolarHBondContact O-N 2.93Å
1309K36Very low52.7Low149 Ų14980.9 Ų80.965%0.64842%0.416SS*.G310 helixtrans-75.4-19.7-177.7-76.3178.1-177.7145.50114.9D1306 R1307D1306-K1309 PolarHBondContact O-N 3.17Å; D1306-K1309 VanDerWaalsContact OD1-CD 3.24Å; D1306-K1309 WeakPolarHBondContact OD1-CD 3.34Å; D1306-K1309 WeakPolarHBondContact OD1-CE 3.27Å; D1306-K1309 IonicContact OD1-NZ 3.74Å; D1306-K1309 PolarHBondContact OD1-NZ 3.08Å; D1306-K1309 IonicContact OD2-NZ 2.7Å; D1306-K1309 PolarHBondContact OD2-NZ 2.9Å; R1307-K1309 PolarHBondContact O-N 3.31Å; R1307-K1309 VanDerWaalsContact O-N 3.07Å
1310S34.6Very low49.5Very low76 Ų7686.3 Ų86.353%0.53145%0.449SS..THydrogen-bonded Turntrans-81.4-23.8162.553.60000112.2R1307 S1308 K1312R1307-S1310 PolarHBondContact O-N 3.31Å; R1307-S1310 PolarHBondContact O-OG 3.1Å; R1307-S1310 VanDerWaalsContact O-OG 3.07Å; S1308-S1310 PolarHBondContact O-N 3.04Å; S1310-K1312 PolarHBondContact O-N 3.07Å
1311Y35.2Very low46.3Very low62 Ų6289.9 Ų89.924%0.24347%0.474CS..  trans-98.163.2-178.2-61.8-64.6000113.1L1093 Y1095 R1307 S1308 F1313L1093-Y1311 HydrophobicContact CD2-CD1 4.29Å; L1093-Y1311 HydrophobicContact CD2-CE1 3.62Å; Y1095-Y1311 WeakPolarHBondContact CD2-OH 3.35Å; Y1095-Y1311 WeakPolarHBondContact CE2-OH 3.35Å; R1307-Y1311 VanDerWaalsContact O-CD2 3.3Å; R1307-Y1311 WeakPolarHBondContact O-CD2 3.39Å; S1308-Y1311 CarbonylContact O-C 3.47Å; S1308-Y1311 WeakPolarHBondContact O-CA 3.32Å; S1308-Y1311 PolarHBondContact O-N 2.93Å; Y1311-F1313 PolarHBondContact O-N 2.94Å
1312K26.5Very low43.4Very low186 Ų18691.1 Ų91.181%0.80949%0.49SS*.  trans-69.884.3154.9-75.2-173.3178.31780109S1310 N1314S1310-K1312 PolarHBondContact O-N 3.07Å; K1312-N1314 VanDerWaalsContact C-N 3.34Å; K1312-N1314 PolarHBondContact O-N 3.42Å
1313F32.3Very low40.6Very low128 Ų12898.9 Ų98.956%0.56152%0.518SS*.  trans-61.298.3166.5-169.3-85.4000107.8E1113 Y1311 P1315E1113-F1313 HydrophobicContact CG-CE2 4.23Å; E1113-F1313 HydrophobicContact CG-CZ 3.78Å; Y1311-F1313 PolarHBondContact O-N 2.94Å; F1313-P1315 WeakPolarHBondContact O-CD 3.37Å
1314N27.6Very low37.7Very low85 Ų85103.1 Ų103.146%0.45555%0.55SS.*  trans-84.9106.4-171-160.717.9000108.6K1312 A1316 E1317K1312-N1314 VanDerWaalsContact C-N 3.34Å; K1312-N1314 PolarHBondContact O-N 3.42Å; N1314-A1316 PolarHBondContact O-N 3.47Å; N1314-E1317 HydrophobicContact CB-CG 4.41Å; N1314-E1317 PolarHBondContact ND2-OE1 3.25Å; N1314-E1317 PolarHBondContact O-N 2.91Å
1315P29.6Very low35.2Very low99 Ų99105.4 Ų105.464%0.64357%0.568SS**THydrogen-bonded Turntrans-69.5-2-166.3-19.634.6000114.5F1313F1313-P1315 WeakPolarHBondContact O-CD 3.37Å
1316A29.7Very low33.3Very low73 Ų73109.1 Ų109.160%0.60359%0.587SS**THydrogen-bonded Turntrans-92.1-7.6175.900000114.1N1314N1314-A1316 PolarHBondContact O-N 3.47Å
1317E31.4Very low32.4Very low117 Ų117110 Ų11055%0.54760%0.598SS.*SBendtrans-99.2-2.8-175.9-73.3176.4-135.400114.1N1314 W1319N1314-E1317 HydrophobicContact CB-CG 4.41Å; N1314-E1317 PolarHBondContact ND2-OE1 3.25Å; N1314-E1317 PolarHBondContact O-N 2.91Å; E1317-W1319 PolarHBondContact O-N 2.9Å
1318S29.3Very low31.3Very low66 Ų66111.5 Ų111.546%0.46262%0.62SS.*SBendtrans-84.9106.1167.660.90000110.6
1319W27.7Very low31Very low130 Ų130117 Ų11749%0.49264%0.644SS.*  trans70.654.4174.1-48.1100.7000117L1087 I1165 Q1166 E1317L1087-W1319 HydrophobicContact CD2-CH2 4.39Å; I1165-W1319 HydrophobicContact CG2-CH2 4.37Å; I1165-W1319 HydrophobicContact CG2-CZ2 4.04Å; Q1166-W1319 HydrophobicContact CG-CD2 3.95Å; Q1166-W1319 HydrophobicContact CG-CE3 3.6Å; Q1166-W1319 HydrophobicContact CG-CH2 3.52Å; Q1166-W1319 HydrophobicContact CG-CZ2 3.87Å; Q1166-W1319 HydrophobicContact CG-CZ3 3.38Å; E1317-W1319 PolarHBondContact O-N 2.9Å
1320T25.5Very low31Very low114 Ų114115.6 Ų115.670%0.69965%0.65SS**  trans-73.7124.3139.743.60000109
1321S25.9Very low30.6Very low75 Ų75121.2 Ų121.252%0.52467%0.668SS.*  trans-62.3142.5170.5174.70000109.8Y1323S1321-Y1323 PolarHBondContact O-N 3.26Å
1322P28.5Very low30.5Very low121 Ų121127.6 Ų127.679%0.78670%0.7SS**THydrogen-bonded Turntrans-60.80.9175.9-24.435.1000115.9
1323Y30.9Very low30.5Very low207 Ų207126.5 Ų126.581%0.81270%0.698SS**THydrogen-bonded Turntrans-116.437.8-173.9-58.9-75.6000113.1S1321S1321-Y1323 PolarHBondContact O-N 3.26Å
1324S27.7Very low30.5Very low102 Ų102128.2 Ų128.271%0.71371%0.707SS**SBendtrans-153.4149163.4-165.10000112.3
1325S33.6Very low30.6Very low110 Ų110132 Ų13277%0.76972%0.722SS**  trans64.2114-175.3760000117.7
1326N33.6Very low30.6Very low159 Ų159134.6 Ų134.685%0.8574%0.736SS**PPolyproline II helixtrans-75.3134.1167.9-70.3-40.9000110.3
1327P37.1Very low30.6Very low109 Ų109134 Ų13471%0.70874%0.738SS**PPolyproline II helixtrans-67.5141.2165.1-15.229.7000110.7L1329P1327-L1329 PolarHBondContact O-N 3.45Å
1328P34.8Very low30.6Very low123 Ų123138.7 Ų138.780%0.79976%0.757SS**PPolyproline II helixtrans-67.2123.2168.628.2-32.6000109.7
1329L33.6Very low30.6Very low166 Ų166144 Ų14487%0.86977%0.774SS**PPolyproline II helixtrans-68.6132.5176.4-75.2168.9000110.6P1327 E1331P1327-L1329 PolarHBondContact O-N 3.45Å; L1329-E1331 PolarHBondContact O-N 3.39Å
1330P35.9Very low30.9Very low120 Ų120142.2 Ų142.278%0.77978%0.779SS**PPolyproline II helixtrans-70126.9168.9-15.630.2000110.8E1332P1330-E1332 PolarHBondContact O-N 2.9Å
1331E27.1Very low31.1Very low194 Ų194143.3 Ų143.391%0.90778%0.776SS**  trans-76.2113.7163.9-69.6-173.1116.700109.8L1329L1329-E1331 PolarHBondContact O-N 3.39Å
1332E32.2Very low31.4Very low195 Ų195147.6 Ų147.691%0.91178%0.782SS**  trans-123.8144.7150.8-80.1-152.9123.700110.7P1330P1330-E1332 PolarHBondContact O-N 2.9Å
1333Q27.1Very low31.6Very low163 Ų163148.9 Ų148.976%0.76278%0.777SS**  trans-88.8159.3-165.6-55.7166.6-0.700110.9
1334H32.5Very low31.8Very low165 Ų165146 Ų14676%0.76477%0.771SS**  -166.997.9126.5-101.135.1000112.9
1335Q28.8Very low32Very low164 Ų164149.4 Ų149.477%0.76678%0.775SS**  trans16.3131.1145.2-56.5175.24.900120.8
1336T29.2Very low32.2Very low153 Ų153148.1 Ų148.194%0.93976%0.764SS**  -169.6150.4114.616.10000111.1
1337G30.2Very low32.3Very low62 Ų62148.8 Ų148.864%0.63976%0.76SS**  trans11776.3159.700000119.6
1338F32.1Very low32.2Very low215 Ų215151.1 Ų151.194%0.94376%0.761SS**  trans60.6136.9143.8-64.3-79.5000124.2
1339H28.4Very low32Very low177 Ų177153.4 Ų153.482%0.81975%0.753SS**  trans-65.9175.9167.1-128.8-132.7000112.4
1340P34.1Very low31.9Very low92 Ų92153 Ų15360%0.59774%0.741SS**  cis-144.7177.612.140.7-20.1000119.3
1341Q29.7Very low31.9Very low137 Ų137151.9 Ų151.964%0.6473%0.729SS**  trans97145.5130.9-104.5164.75.400124.4
1342Y31.6Very low32.2Very low165 Ų165149.8 Ų149.865%0.64772%0.719SS**  trans65.9101.4168.8-53.3-63.4000118.7
1343H32.9Very low32.3Very low148 Ų148144.7 Ų144.769%0.68571%0.705SS**  97.613885.6-80.68.4000112.4
1344H35.4Very low32.5Very low148 Ų148141.3 Ų141.369%0.68570%0.7SS**  cis-141.5141-9.2-88.2-23.1000107.2
1345H31.6Very low32.8Very low173 Ų173141.1 Ų141.180%0.80170%0.698SS**  69.3146.773.5-111.827.2000115.6
1346P37.8Very low32.9Very low83 Ų83143.6 Ų143.654%0.53970%0.701SS.*  cis-146.6-169.6-44.934.3-12.4000115.3
1347K35.4Very low33Very low173 Ų173140.1 Ų140.175%0.75269%0.688SS**  trans82.7144.5161.2-57.1172.4-178.1174.80116.4
1348H35.3Very low32.9Very low158 Ų158142.4 Ų142.473%0.73169%0.694SS**  cis-169.9171.7-7.3-105.7-18.6000108.1
1349R31Very low32.9Very low170 Ų170137.6 Ų137.664%0.64269%0.687SS**  cis-159.5147.60.2-137.3-152.3168.8-179-7109.3
1350Y32.3Very low32.9Very low158 Ų158133.8 Ų133.862%0.6269%0.686SS**  trans62.4146.4149.9-79.2-143000118.8
1351D34.9Very low32.6Very low96 Ų96135.1 Ų135.151%0.51369%0.687SS.*  cis-152.3139.7-8.8-119.45.7000109.5
1352Q33.7Very low32.6Very low150 Ų150139 Ų13970%0.70170%0.696SS**  59.7135.6104.5-69.3-171.876.600117
1353S34.2Very low32.4Very low88 Ų88135.7 Ų135.762%0.61570%0.697SS**  cis-169.8139.6-7.346.40000113.8
1354S32.5Very low32.2Very low93 Ų93134 Ų13465%0.6570%0.697SS**  trans64.8166.6136.581.60000119.5
1355H38.2Very low31.9Very low160 Ų160134.1 Ų134.174%0.74170%0.701SS**  cis-154.8163.76.8-103-41000106.8
1356R31Very low31.9Very low217 Ų217131.3 Ų131.382%0.81970%0.7SS**  cis-167.1159.4-5.4178.1172.5-170.1159.30.8109.7
1357A31.1Very low31.4Very low80 Ų80130.6 Ų130.666%0.66171%0.708SS**  trans-45.5154.7174.900000115.5
1358S28Very low31.5Very low109 Ų109128.5 Ų128.576%0.76271%0.712SS**  cis75.4122.238.9-590000116.4
1359S31.6Very low31Very low115 Ų115126.2 Ų126.280%0.80472%0.721SS**  trans44114.2146.560.60000122
1360A28.6Very low30.9Very low96 Ų96120.9 Ų120.979%0.79372%0.719SS**  trans-169.7153.7149.800000109.5
1361I28.8Very low30.7Very low121 Ų121120.5 Ų120.562%0.62173%0.733SS**  cis-178.5160.5-30.8-111.6161.7000106.3
1362R29.2Very low30.4Very low219 Ų219119 Ų11983%0.82674%0.741SS**  trans71.2136.2-178-63.9142.7-165.2-94.4-2.7113.2
1363S27.8Very low30.1Very low95 Ų95120.1 Ų120.166%0.66475%0.751SS**  cis70.6143.542.294.60000112.2
1364T28.1Very low29.9Very low112 Ų112119.3 Ų119.369%0.68776%0.756SS**  cis-162.9178.426.3-23.90000110.3
1365I29.9Very low29.6Very low150 Ų150125 Ų12577%0.76977%0.765SS**  trans80.8145153.1-70156.7000118
1366S30.5Very low29.1Very low114 Ų114128.4 Ų128.480%0.79777%0.771SS**  trans-8.5155.6171.562.50000120.9
1367G28.2Very low29.2Very low68 Ų68123.3 Ų123.370%0.70177%0.769SS**  cis173.1-175.514.700000111.2
1368P36Very low29.2Very low129 Ų129124.3 Ų124.384%0.83877%0.769SS**  trans-104.7172.9-158.839.5-36.6000116.9
1369A26.2Very low29.1Very low110 Ų110127.1 Ų127.191%0.90977%0.769SS**  trans79.4158164.100000118.6
1370G28.4Very low28.8Very low59 Ų59127.3 Ų127.361%0.60877%0.766SS**  trans102.690.7-177.400000113
1371T27.9Very low28.8Very low149 Ų149129.2 Ų129.291%0.91477%0.767SS**  66.1124.677.666.40000115.8
1372G28.1Very low28.6Very low66 Ų66131.4 Ų131.468%0.6878%0.775SS**  trans126.5101.2175.800000110.9
1373L28.2Very low28.5Very low172 Ų172132 Ų13290%0.90178%0.777SS**  65109.971.6-62173.3000113.1
1374G30.2Very low28.5Very low71 Ų71132.2 Ų132.273%0.73278%0.779SS**  trans152.560.3-17400000111.9
1375Y26.7Very low28.6Very low213 Ų213132.3 Ų132.384%0.83578%0.784SS**  59.2135.289.5-84.1-80.1000116.5
1376R27.6Very low28.5Very low232 Ų232132.1 Ų132.188%0.87578%0.783SS**  trans7198.2165.1-68.2-171.9174.8-151.5-1.3119.4
1377S31.4Very low28.5Very low110 Ų110134.7 Ų134.777%0.76979%0.787SS**  -52.7144.7127.1-172.70000109.8
1378P31.4Very low28.7Very low101 Ų101135.6 Ų135.666%0.65679%0.788SS**  -153.716095.440.6-22.3000117.9
1379H26.1Very low28.3Very low168 Ų168134.9 Ų134.978%0.77879%0.786SS**  trans31.2128.6137.4-66.7-71.7000124.1
1380T24.9Very low28.5Very low118 Ų118139.3 Ų139.372%0.72479%0.785SS**  60.798.3122.8-46.60000121.1
1381V30Very low28.5Very low136 Ų136140 Ų14082%0.82478%0.784SS**  trans-151119.6143.81740000104.8
1382Q24.4Very low28.5Very low168 Ų168141.5 Ų141.579%0.78578%0.781SS**  cis72.184.339.5-141.8-161.335.500115.5
1383R27.6Very low28.5Very low231 Ų231143 Ų14387%0.87278%0.781SS**  trans172.8119.9146.5-93.2150.1-173.5-146.3-0108.2
1384S27.3Very low28.6Very low100 Ų100140.6 Ų140.670%0.69977%0.769SS**  cis86.2111.640.177.40000114.2
1385S30.9Very low28.5Very low113 Ų113145.3 Ų145.379%0.7977%0.77SS**  trans150.7150.1149.851.40000111.1
1386I26.9Very low28.5Very low146 Ų146139.4 Ų139.475%0.74976%0.76SS**  cis-162.8160-17.6-110.7163.7000106.8
1387L29.5Very low28.5Very low168 Ų168135.5 Ų135.588%0.8876%0.756SS**  trans66.6144.8175-69.6156.8000116.7
1388A32.8Very low28.4Very low88 Ų88141 Ų14173%0.72776%0.762SS**  cis-147.7133.6-14.400000111.9
1389S27.5Very low28.2Very low114 Ų114140.9 Ų140.980%0.79777%0.769SS**  trans-67.3153.7169.151.10000114.5
1390K31.2Very low28.3Very low203 Ų203136.5 Ų136.588%0.88377%0.769SS**  -151.7147.1116.5-158.4146.8-172.7173.80112.1
1391A28.5Very low28.4Very low73 Ų73139.3 Ų139.360%0.60378%0.778SS**  trans-137.3-162.2176.200000108.6
1392E27.9Very low28.3Very low181 Ų181136.5 Ų136.585%0.84678%0.776SS**  trans72.1153.7167.4-55.8171.7140.600116.6
1393S28.1Very low28.6Very low98 Ų98140.2 Ų140.269%0.68578%0.783SS**  cis-170.3163.3-28.456.70000110.2
1394D29.2Very low28.6Very low121 Ų121134.8 Ų134.865%0.64778%0.781SS**  trans50.4139.1138.4-83.529000125.8
1395K28.3Very low28.7Very low169 Ų169132.9 Ų132.974%0.73578%0.776SS**  trans87.2117.2134.1-79.6-179.8-176.485.70123.2
1396S28.2Very low28.5Very low90 Ų90133.8 Ų133.863%0.62978%0.777SS**  72.9116.7121.7730000123.4
1397D26.6Very low28.4Very low150 Ų150132.1 Ų132.180%0.80277%0.774SS**  85.1150.8117.6-62.5-4.4000124.6
1398Y28.5Very low28.2Very low225 Ų225131.6 Ų131.688%0.88277%0.765SS**  trans77.898158.3-100.8-106.4000122.5
1399A27.1Very low27.8Very low99 Ų99137.7 Ų137.782%0.81877%0.77SS**  27.7137129.200000122.5
1400G28.2Very low27.8Very low75 Ų75136.1 Ų136.177%0.77377%0.772SS**  trans-179.862.6170.700000119.8
1401I27.1Very low27.4Very low178 Ų178134.6 Ų134.691%0.91377%0.774SS**  trans21.2123.9144.7-54.3163000118.8
1402G29.4Very low27.4Very low76 Ų76134.3 Ų134.378%0.78478%0.778SS**  trans178.285.116400000121.1
1403R29.8Very low27.4Very low247 Ų247130.6 Ų130.693%0.93277%0.772SS**  trans-30.8164.7151.9-68.1172.6-178.7-173.40.1116.1
1404S28.6Very low27.3Very low117 Ų117133.3 Ų133.382%0.81878%0.779SS**  cis175159.1-12.8177.20000108.2
1405G28.5Very low27.4Very low59 Ų59131.3 Ų131.361%0.60879%0.787SS**  trans82.8165.7163.500000116.4
1406T26.7Very low27.6Very low132 Ų132128.5 Ų128.581%0.8179%0.788SS**  cis168.2149-20.520.80000106.3
1407V25.3Very low27.9Very low112 Ų112128.1 Ų128.168%0.67979%0.786SS**  trans75.1103.6147167.50000119.8
1408K25.9Very low28.2Very low157 Ų157130.8 Ų130.868%0.68378%0.784SS**  59.3156.5129.2-54-179.8-171175.90122.7
1409Y24.1Very low28.6Very low215 Ų215127.5 Ų127.584%0.84378%0.777SS**  trans71.4149.8161.1-55.8-67.4000116.9
1410G27.2Very low28.9Very low82 Ų82126.7 Ų126.785%0.84577%0.77SS**  trans148.877.9-177.200000111.9
1411N23.4Very low29.2Very low171 Ų171129.1 Ų129.191%0.91477%0.77SS**  trans-98.9136-178.9-157.515.7000110.5
1412G26.7Very low29.7Very low66 Ų66123.5 Ų123.568%0.6876%0.755SS**  trans79.7176.6171.300000116.8
1413S28.1Very low30Very low103 Ų103127.3 Ų127.372%0.7275%0.753SS**  cis-163.2162-11.851.20000113
1414N27.4Very low30.1Very low156 Ų156123.8 Ų123.883%0.83475%0.747SS**  trans65.2109.5151.5-61-17.5000121.9
1415G30.4Very low30.3Very low79 Ų79121 Ų12181%0.81474%0.738SS**  99.2161.7119.500000118.7
1416S32.2Very low30.7Very low109 Ų109125.8 Ų125.876%0.76274%0.744SS**  cis-164.8155.5-8.9-173.80000111.9
1417S35.2Very low30.8Very low83 Ų83127.9 Ų127.958%0.5874%0.736SS**  trans71.2145.8159.7-64.30000117.1
1418R33.6Very low31Very low206 Ų206132 Ų13278%0.77774%0.74SS**  cis-162.8165.9-0.4-116.4163.8-148.4-108.87.1109.5
1419Q35.4Very low31.2Very low155 Ų155130.5 Ų130.572%0.72474%0.744SS**  cis-142.5-83.3-0.6-170.1156.2-90.900113.4
1420A34.8Very low31.4Very low82 Ų82124.8 Ų124.868%0.67874%0.735SS**  trans-168.8-177.5-17000000107.4
1421V33.9Very low31.7Very low127 Ų127131.6 Ų131.677%0.7774%0.736SS**  cis-146152.516.7-175.20000107.4
1422G37.5Very low31.9Very low59 Ų59130.6 Ų130.661%0.60873%0.73SS**  cis149.7171.7-7.900000112.8
1423Q35Very low32.4Very low157 Ų157132.3 Ų132.373%0.73473%0.729SS**  trans65149.2170.7-57.2177-78.800116.1
1424E32Very low32.2Very low172 Ų172137.8 Ų137.880%0.80473%0.734SS**  cis-162.9158.5-14.7-109.8158.6-155.100106.5
1425G33.5Very low32.1Very low60 Ų60138.6 Ų138.662%0.61973%0.733SS**  cis167.2152.2-7.700000111.3
1426H36.4Very low31.8Very low159 Ų159140 Ų14074%0.73673%0.726SS**  trans71.6155162.2-672.9000118.4
1427R29.9Very low31.4Very low175 Ų175141.2 Ų141.266%0.6673%0.728SS**  cis-160.8133.9-15.1-111173.4-161-165.511112.1
1428R28.6Very low31Very low200 Ų200140.7 Ų140.776%0.75573%0.725SS**  trans61.5139132.8-69.4178.9180-173.4-1124.1
1429T29.6Very low30.6Very low125 Ų125139.9 Ų139.977%0.76773%0.727SS**  trans80.1105.9134.447.50000124.2
1430S28.2Very low30.2Very low94 Ų94135.6 Ų135.666%0.65773%0.725SS**  91.7132.4102.3-1570000122.1
1431R33.5Very low29.8Very low226 Ų226139.7 Ų139.785%0.85374%0.735SS**  trans75.4122.2155.1-73.2162.2-172.7-177.1-0.5121.4
1432D28.4Very low29.4Very low149 Ų149137 Ų13780%0.79773%0.726SS**  -3.3164.8127.4-72.6-70.5000120.9
1433P36.9Very low29Very low102 Ų102143.7 Ų143.766%0.66274%0.738SS**  cis-141.2-177-22.436.9-18.2000114.6
1434R23.6Very low28.7Very low219 Ų219141.6 Ų141.683%0.82674%0.737SS**  trans58.9143.3146.6-88.6-176.5176.2-169.90121.1
1435Q26.5Very low28.5Very low172 Ų172140.1 Ų140.180%0.80473%0.733SS**  trans66.7162155.6-70-174.73.200116.4
1436T23.3Very low28.1Very low108 Ų108147.8 Ų147.866%0.66374%0.743SS**  cis-154.9165.4-42.2-590000105.4
1437V24.6Very low28Very low136 Ų136146.3 Ų146.382%0.82475%0.745SS**  trans62.2162.7172.6-108.50000114.6
1438S25.2Very low28Very low72 Ų72146.1 Ų146.150%0.50375%0.752SS.*  cis-149.5-169-9.5-158.70000109.8
1439F26.2Very low28.3Very low189 Ų189142.7 Ų142.783%0.82976%0.758SS**  trans31.5114.9154.1-49.6-56000117.8
1440G26.1Very low28.2Very low65 Ų65140.9 Ų140.967%0.6776%0.756SS**  cis95.5151.820.800000111.9
1441N26.4Very low28.1Very low167 Ų167144.9 Ų144.989%0.89376%0.764SS**  trans67.2150-177-63-29.6000116
1442A26.6Very low27.6Very low71 Ų71145.6 Ų145.659%0.58777%0.767SS**  cis-169.1175.3-21.100000109
1443K28Very low27.6Very low199 Ų199147.3 Ų147.387%0.86577%0.767SS**  trans74157.8172.3-47.7163.6-175.4172.30111.3
1444T28.2Very low27Very low113 Ų113147.8 Ų147.869%0.69377%0.768SS**  cis-149.3124.829.1-56.90000112.5
1445I29.2Very low27.1Very low141 Ų141144.8 Ų144.872%0.72377%0.768SS**  trans50.1105.4145.1-60.2173.3000116.9
1446R24.7Very low27Very low221 Ų221140.3 Ų140.383%0.83476%0.756SS**  61.1104.279.5-70.4-179.2175.4170.3-2.7116
1447T33.4Very low27.1Very low128 Ų128143.3 Ų143.379%0.78576%0.762SS**  trans-151.1112.4142.315.70000107.1
1448H30.4Very low27.1Very low172 Ų172141.8 Ų141.880%0.79675%0.753SS**  51115.795.2-62.2-72.3000111.9
1449S34.2Very low27Very low127 Ų127144.8 Ų144.889%0.88876%0.764SS**  cis-148.4167.538.853.30000113.8
1450A27.8Very low27.2Very low87 Ų87142.9 Ų142.972%0.71976%0.761SS**  trans-111.1151.2-173.500000113.9
1451Q27Very low27.1Very low178 Ų178145.3 Ų145.383%0.83276%0.763SS**  trans-2.4151.8148.7-62.5161.5-49.800120
1452R23.8Very low27.2Very low241 Ų241145.1 Ų145.191%0.90976%0.761SS**  trans74.398.2171.6-67-170.7174-154.9-0.6117.6
1453K27Very low27.2Very low185 Ų185145 Ų14580%0.80477%0.767SS**  trans-162.1132.8130.1-101154.4-174.4-178.10105.9
1454T25.2Very low27.3Very low112 Ų112141.1 Ų141.169%0.68777%0.765SS**  cis60.6133.134.775.40000113.7
1455L25.2Very low27.3Very low156 Ų156141 Ų14182%0.81776%0.764SS**  trans84.2115.5-159.6-53.9156.6000110.4
1456S24Very low27.2Very low78 Ų78144.8 Ų144.855%0.54577%0.769SS.*  cis92136.733.375.60000113.9
1457Q25.5Very low27.4Very low171 Ų171141.4 Ų141.480%0.79976%0.763SS**  trans66.9144.9165.7-65.9166-88.700114.5
1458T25Very low27.1Very low104 Ų104146.5 Ų146.564%0.63877%0.769SS**  cis-156.8177.7-9.85.20000108.9
1459D23.1Very low27Very low135 Ų135143.1 Ų143.172%0.72276%0.761SS**  trans8.4126.6140.4-36.8-33.9000116.5
1460I29.4Very low26.7Very low150 Ų150143.4 Ų143.477%0.76976%0.757SS**  -170.5119.291.5-93.3153.1000106.7
1461T26Very low26.7Very low115 Ų115142 Ų14271%0.70675%0.75SS**  51.1142.991.249.90000114.9
1462L26.5Very low26.7Very low164 Ų164143 Ų14386%0.85975%0.753SS**  cis-159.4141.715.5-155.3138.2000112.6
1463G28.1Very low26.8Very low69 Ų69136.5 Ų136.571%0.71174%0.736SS**  trans76163.5158.100000118.5
1464S28.8Very low26.9Very low117 Ų117137.8 Ų137.882%0.81874%0.742SS**  cis-155.1158.1-10.8-166.40000113.1
1465T29.4Very low26.9Very low110 Ų110141.8 Ų141.868%0.67574%0.744SS**  trans-49.9169.8173.556.30000115.3
1466R27.1Very low26.9Very low220 Ų220140.2 Ų140.283%0.8374%0.737SS**  cis-144156.526.7-55.8168.4154.7133.3-9.8110.2
1467E27.8Very low27Very low151 Ų151144.3 Ų144.371%0.70675%0.747SS**  cis67.713041.9-83.4-170.1-174.600117.2
1468Y28.3Very low27Very low234 Ų234143.9 Ų143.992%0.91875%0.745SS**  trans-145.9137.3151-104.1-76.6000108.7
1469T27.2Very low27Very low102 Ų102143.1 Ų143.163%0.62674%0.74SS**  trans-147.4145.2-157.6-55.40000111.2
1470V28.8Very low27.1Very low132 Ų132144.8 Ų144.880%0.875%0.746SS**  trans-140.9128.4157-165.60000104.2
1471G27.1Very low27.3Very low57 Ų57145 Ų14559%0.58875%0.747SS**  cis105.4122.432.200000106.9
1472F27.7Very low27.4Very low201 Ų201143 Ų14388%0.88274%0.737SS**  cis-143.5-168.223-64-103.8000109.8
1473D26.2Very low27.3Very low103 Ų103140.2 Ų140.255%0.55173%0.731SS**  -174.8131.7-67.2-176.86.3000106.3
1474F28Very low27.3Very low213 Ų213144.5 Ų144.593%0.93474%0.737SS**  trans-168.694.8145.4-110.4-67.8000111.8
1475R25Very low27.2Very low196 Ų196148 Ų14874%0.7474%0.741SS**  trans-24156.4150.3-75.2175.7176175.2-1.4116.9
1476D25.3Very low27.1Very low122 Ų122147.5 Ų147.565%0.65274%0.742SS**  cis-163.2-177.216.7-136.2-45.3000116.1
1477Q27.5Very low27.1Very low165 Ų165143.3 Ų143.377%0.77174%0.736SS**  trans8860154.3-74.4179.159.300122.8
1478Q24.6Very low27.1Very low161 Ų161144.2 Ų144.275%0.75274%0.744SS**  trans31.7120131.7-58.6-179.2-4.100122.7K263K263-Q1478 PolarHBondContact NZ-O 2.91Å
1479V26.2Very low27Very low89 Ų89142.3 Ų142.354%0.53974%0.735SS.*  trans-147.5143.7133.3-163.20000110.2K263K263-V1479 HydrophobicContact CD-CG1 4.32Å; K263-V1479 HydrophobicContact CD-CG2 4.08Å
1480M24.9Very low27Very low169 Ų169143.4 Ų143.483%0.83374%0.741SS**  trans-82.6167.1-171.5-64.3-175.376.600116.9R535R535-M1480 PolarHBondContact NH1-O 3.41Å
1481L33.1Very low27.1Very low154 Ų154142.6 Ų142.681%0.80673%0.729SS**  trans-77.3162.7177.2-63.9163.2000115.7R535R535-L1481 PolarHBondContact NH1-O 3.02Å; R535-L1481 VanDerWaalsContact NH1-O 3.1Å; R535-L1481 PolarHBondContact NH2-O 3.11Å
1482P27.2Very low27.1Very low74 Ų74142.3 Ų142.348%0.48172%0.716SS.*  trans-109.1160.2137.538.3-27.5000111.5R535R535-P1482 HydrophobicContact CG-CG 4.13Å; R535-P1482 VanDerWaalsContact CZ-N 3.3Å; R535-P1482 VanDerWaalsContact NE-CD 3.34Å
1483S25.4Very low27.4Very low106 Ų106138.1 Ų138.174%0.74170%0.695SS**  trans-86.3139.5162.7-47.70000110.7
1484D28.6Very low28Very low158 Ų158137.8 Ų137.885%0.84569%0.689SS**  trans-138.4104.7149.4-100.5-44000106.6S1486D1484-S1486 PolarHBondContact O-N 2.97Å; D1484-S1486 VanDerWaalsContact O-N 3.15Å
1485E25.7Very low28.6Very low192 Ų192130.9 Ų130.990%0.89766%0.659SS**  trans-84.786.1-171.7-68.8-171.512300112
1486S28.6Very low29Very low98 Ų98126 Ų12669%0.68565%0.648SS**  trans-118.562.5175.172.70000113.4D1484 I1488D1484-S1486 PolarHBondContact O-N 2.97Å; D1484-S1486 VanDerWaalsContact O-N 3.15Å; S1486-I1488 PolarHBondContact O-N 3.42Å
1487N26.6Very low29.6Very low133 Ų133122.4 Ų122.471%0.71163%0.628SS**  trans43.863.1161.8-75.8-86.1000115.8R1489N1487-R1489 PolarHBondContact O-N 2.93Å
1488I27.2Very low29.7Very low169 Ų169119.8 Ų119.887%0.86763%0.625SS**  trans-70.778.5161.6-55.3179.5000107.9S1486 V1490S1486-I1488 PolarHBondContact O-N 3.42Å; I1488-V1490 PolarHBondContact O-N 2.93Å
1489R25.4Very low30.1Very low194 Ų194115.5 Ų115.573%0.73261%0.61SS**  trans-76.4112.1173.9-169.3175.1-61.7-157.3-0.3107.1N1487 H1491N1487-R1489 PolarHBondContact O-N 2.93Å; R1489-H1491 PolarHBondContact O-N 3.29Å
1490V28.7Very low30.2Very low126 Ų126116.6 Ų116.676%0.76462%0.617SS**  trans-46134.2178.5179.50000109.6I1488 P1492I1488-V1490 PolarHBondContact O-N 2.93Å; V1490-P1492 WeakPolarHBondContact O-CD 3.45Å
1491H29.8Very low30.3Very low115 Ų115111.8 Ų111.853%0.53261%0.611SS.*PPolyproline II helixtrans-57.7124.7179.5-152.8-73000108.6R1489 R1493R1489-H1491 PolarHBondContact O-N 3.29Å; H1491-R1493 PolarHBondContact O-N 3.07Å
1492P27Very low29.9Very low50 Ų50109.4 Ų109.433%0.32561%0.607SS.*PPolyproline II helixtrans-56.2128173.8-22.132.7000108.3V1490 D1496V1490-P1492 WeakPolarHBondContact O-CD 3.45Å; P1492-D1496 HydrophobicContact CB-CB 4.37Å
1493R33.5Very low29.9Very low113 Ų113112.5 Ų112.543%0.42663%0.625SS.*PPolyproline II helixtrans-63.1155.7173-64.2174.2164.6162.5-4.7108.3H1491 Q1495 D1496H1491-R1493 PolarHBondContact O-N 3.07Å; R1493-Q1495 HydrophobicContact CB-CB 4.46Å; R1493-Q1495 PolarHBondContact O-N 2.93Å; R1493-D1496 WeakPolarHBondContact CB-OD2 3.46Å; R1493-D1496 PolarHBondContact N-OD2 3.22Å; R1493-D1496 PolarHBondContact O-N 3.46Å
1494F38.9Very low29.9Very low97 Ų97110.8 Ų110.843%0.42562%0.624SS.*THydrogen-bonded Turntrans-55.2-23.7171.1-77.9-87000112.7
1495Q40.9Very low29.8Very low67 Ų67109.5 Ų109.531%0.31362%0.622SS.*THydrogen-bonded Turntrans-79.9-23.4175.5-60.5177.8-54.700114R1118 R1493 I1497R1118-Q1495 PolarHBondContact O-NE2 3.18Å; R1493-Q1495 HydrophobicContact CB-CB 4.46Å; R1493-Q1495 PolarHBondContact O-N 2.93Å; Q1495-I1497 PolarHBondContact O-N 2.84Å
1496D33.3Very low29.8Very low94 Ų94107.9 Ų107.950%0.50362%0.619SS.*SBendtrans-82.45.2-174-57.7-26.6000113.1P1492 R1493 P1498P1492-D1496 HydrophobicContact CB-CB 4.37Å; R1493-D1496 WeakPolarHBondContact CB-OD2 3.46Å; R1493-D1496 PolarHBondContact N-OD2 3.22Å; R1493-D1496 PolarHBondContact O-N 3.46Å; D1496-P1498 WeakPolarHBondContact O-CD 3.43Å
1497I39.3Very low29.6Very low47 Ų47109 Ų10924%0.24163%0.627CS.*SBendtrans-95.6100.6-177.8-56.2169.2000108.7Y922 M936 Q1495 T1499Y922-I1497 HydrophobicContact CD1-CD1 4.44Å; Y922-I1497 HydrophobicContact CE1-CD1 3.94Å; M936-I1497 HydrophobicContact CE-CD1 4.2Å; Q1495-I1497 PolarHBondContact O-N 2.84Å; I1497-T1499 PolarHBondContact O-N 2.81Å
1498P27.8Very low29.7Very low110 Ų110106.3 Ų106.371%0.71463%0.631SS**  trans-63.9113.6178.826-34.4000109.9D1496 T1500D1496-P1498 WeakPolarHBondContact O-CD 3.43Å; P1498-T1500 PolarHBondContact O-N 3.05Å
1499T33.1Very low29.7Very low71 Ų71101.5 Ų101.544%0.43661%0.61SS.*  trans-63.9104.1174.848.60000109.4V1123 I1497 G1501V1123-T1499 HydrophobicContact CB-CG2 4.15Å; V1123-T1499 HydrophobicContact CG1-CG2 4.42Å; V1123-T1499 HydrophobicContact CG2-CG2 4Å; I1497-T1499 PolarHBondContact O-N 2.81Å; T1499-G1501 PolarHBondContact O-N 3.05Å
1500T29.6Very low30Very low112 Ų112102.7 Ų102.769%0.68762%0.615SS**  trans-60.3105171.451.50000108.7P1498 S1502P1498-T1500 PolarHBondContact O-N 3.05Å; T1500-S1502 PolarHBondContact O-N 2.85Å; T1500-S1502 VanDerWaalsContact O-N 3.14Å
1501G25.6Very low29.9Very low68 Ų6898.8 Ų98.870%0.70159%0.593SS**  trans-63.5113.9-175.500000111.4T1499 T1503T1499-G1501 PolarHBondContact O-N 3.05Å; G1501-T1503 PolarHBondContact O-N 3.08Å
1502S26.2Very low30.1Very low104 Ų10497.3 Ų97.373%0.72760%0.595SS**  trans-70.999.2155.250.10000107.6T1500 G1504T1500-S1502 PolarHBondContact O-N 2.85Å; T1500-S1502 VanDerWaalsContact O-N 3.14Å; S1502-G1504 PolarHBondContact O-N 3.14Å
1503T25.7Very low30.1Very low139 Ų139102.1 Ų102.185%0.85362%0.618SS**  trans-53.4130.9163.246.70000108.5G1501G1501-T1503 PolarHBondContact O-N 3.08Å
1504G26.2Very low30Very low70 Ų70102 Ų10272%0.72263%0.634SS**  trans-77.9161.3-162.800000115.1S1502S1502-G1504 PolarHBondContact O-N 3.14Å
1505T27.5Very low29.5Very low131 Ų131104.9 Ų104.980%0.80466%0.659SS**  trans-149.8137.7134.943.30000108
1506D24.9Very low29Very low157 Ų157104.5 Ų104.584%0.8467%0.674SS**SBendtrans-64.2153.7162.6-88.4-62.3000111.4
1507S25Very low29Very low121 Ų121105.9 Ų105.985%0.84669%0.69SS**  trans64.4130.3177.776.40000116.2
1508G27.8Very low28.5Very low78 Ų78112.4 Ų112.480%0.80471%0.712SS**  trans171.168.3-178.100000114.9
1509T27.4Very low28.7Very low68 Ų68116.2 Ų116.242%0.41772%0.72SS.*  trans-68.2129.7175.757.90000111.9S856S856-T1509 WeakPolarHBondContact OG-CA 3.43Å; S856-T1509 VanDerWaalsContact OG-CB 3.22Å; S856-T1509 WeakPolarHBondContact OG-CB 3.45Å
1510R32Very low28.8Very low219 Ų219118 Ų11883%0.82673%0.733SS**  trans178.2121.1137.2-105.1171.1170.5-159.2-7115.9
1511S26.5Very low28.7Very low44 Ų44118.2 Ų118.231%0.30874%0.738SS.*  trans-103.2113.1155.7-74.60000109.9C854C854-S1511 PolarHBondContact O-OG 3.27Å
1512S34.2Very low29.2Very low83 Ų83120.5 Ų120.558%0.5874%0.74SS**  trans-164.7103.2163.259.30000113.3
1513L26.7Very low29.5Very low152 Ų152121.3 Ų121.380%0.79674%0.743SS**  trans-104.1101153.8-83.2173.3000107.6
1514S31Very low29.8Very low110 Ų110119.2 Ų119.277%0.76973%0.734SS**  trans-109.1105.4174.854.30000109.6
1515V28.9Very low30Very low157 Ų157124.6 Ų124.695%0.95274%0.74SS**  trans-75.5123.3173.7177.30000108.9
1516G30.1Very low30.1Very low60 Ų60122 Ų12262%0.61973%0.732SS**  trans-153.9112.2-179.900000113.3
1517S34.4Very low30.3Very low122 Ų122119.9 Ų119.985%0.85373%0.729SS**  trans39.8110.9155.250.50000120.1
1518R28.1Very low30.5Very low185 Ų185118.8 Ų118.870%0.69872%0.721SS**  trans-76.7148.6154.3-63.9-179.4176.5-165.7-1.5110.6S1560R1518-S1560 PolarHBondContact NH1-OG 3.37Å; R1518-S1560 PolarHBondContact NH2-O 3.24Å
1519Q32.7Very low30.6Very low190 Ų190120.1 Ų120.189%0.88872%0.719SS**  -158.3161.1126.1-101.5-169.1-23.600109.8
1520P33.8Very low30.8Very low107 Ų107123.4 Ų123.470%0.69574%0.738SS**  trans-129.6-174.2-148.943-28.3000116.9
1521C29Very low30.7Very low117 Ų117120 Ų12079%0.79174%0.737SS**  trans79.9160.2166.1-57.90000117.1
1522P35.2Very low30.9Very low117 Ų117129.8 Ų129.876%0.7677%0.767SS**  cis-128.3169.5-48.537.6-24.3000112
1523P33.2Very low30.8Very low120 Ų120129.4 Ų129.478%0.77978%0.776SS**  trans-87.7143-17834-34.3000113.9
1524S30.3Very low30.8Very low96 Ų96130.9 Ų130.967%0.67178%0.779SS**  157.2141.912059.30000113.7
1525H31.2Very low30.9Very low183 Ų183133.4 Ų133.485%0.84778%0.783SS**  trans59164.2167-52.5-65.6000117.7
1526A29.7Very low30.9Very low76 Ų76132.5 Ų132.563%0.62877%0.772SS**  cis-160.1146.3-44.200000109.7
1527S28.4Very low31Very low112 Ų112140.8 Ų140.878%0.78379%0.785SS**  trans62153.2160.944.80000121.3
1528S30.1Very low30.8Very low98 Ų98139.7 Ų139.769%0.68578%0.777SS**  trans59.589.2150.856.10000121.3
1529S29.3Very low31Very low107 Ų107136.1 Ų136.175%0.74878%0.781SS**  69.4152.6110.167.80000123.6
1530V32.9Very low30.9Very low136 Ų136131.5 Ų131.582%0.82477%0.769SS**  trans94.1117.7161.6-172.40000116.5
1531D28.1Very low30.8Very low149 Ų149134.2 Ų134.280%0.79777%0.773SS**  trans-66.3144.1168.4-73.6-73.7000113.3
1532R32.4Very low30.8Very low249 Ų249134.3 Ų134.394%0.9476%0.762SS**  -178.6141.6125.8-104.5168.3-178.4-163.2-0114
1533G31.2Very low30.4Very low74 Ų74137.7 Ų137.776%0.76376%0.759SS**  85106123.800000118.4
1534E26.7Very low30.2Very low184 Ų184138.6 Ų138.686%0.8675%0.753SS**  trans-46153.9163.6-49.8163.8119.200114.8
1535L32.4Very low30.2Very low163 Ų163139.5 Ų139.585%0.85375%0.751SS**  -176.7167.4113.3-98.2166.7000114.7
1536N30.4Very low29.9Very low137 Ų137141.5 Ų141.573%0.73375%0.752SS**  trans-89.4155.9-169-61.8-80.2000114.9
1537R31Very low30Very low234 Ų234141.8 Ų141.888%0.88376%0.762SS**  170.4122.2108.7-92.7174.7177.4-179.60.2117.2
1538S30.6Very low30Very low100 Ų100147.8 Ų147.870%0.69977%0.768SS**  62143.6123-50.80000125.5
1539S32Very low29.9Very low110 Ų110148 Ų14877%0.76977%0.765SS**  trans71.6149.2146.655.70000120.5
1540S30Very low29.9Very low93 Ų93151.5 Ų151.565%0.6577%0.769SS**  cis-171.6159.2-15.9-96.80000111.5
1541Q32.2Very low29.6Very low164 Ų164156 Ų15677%0.76677%0.772SS**  trans65.2156.4153.4-72.9172.4-83.900119.2
1542E28.5Very low29.6Very low119 Ų119156.8 Ų156.856%0.55678%0.775SS**  cis-159.9161.6-24.7-123.2-177.9121.400112.7
1543R27.8Very low29.3Very low187 Ų187149.5 Ų149.571%0.70676%0.762SS**  trans61.2119.2147.3-71.3-170.9-163.7-137.5-3.5125.2
1544Q29.1Very low29.1Very low140 Ų140157.3 Ų157.365%0.65477%0.768SS**  87.8112.9116.8-72.1-173.64.500124.5
1545N29.4Very low29.1Very low115 Ų115159.9 Ų159.962%0.61577%0.77SS**  95.1139.6114.3-74.5-12.7000124.6
1546Y26.2Very low29.1Very low225 Ų225156.9 Ų156.988%0.88276%0.763SS**  trans62.1135.9155.6-67.1-59.5000121.5
1547G31.5Very low29Very low81 Ų81159.3 Ų159.384%0.83577%0.769SS**  trans167.195.7169.800000114.8
1548R27.6Very low29Very low238 Ų238152.9 Ų152.990%0.89876%0.758SS**  trans-76136.7-173.6-113-175.7-176.1174.80.8114.7
1549T27.9Very low28.8Very low104 Ų104157 Ų15764%0.63876%0.763SS**  trans33.7127.1137.758.90000121.6
1550H29.5Very low28.6Very low180 Ų180158.6 Ų158.683%0.83378%0.775SS**  -172.4168.7100.5-116.1-98.2000114
1551R26.5Very low28.6Very low231 Ų231161.9 Ų161.987%0.87278%0.781SS**  trans-69.1141172.5-67.2173.6170.8169.9-3.9111.5
1552L28Very low28.4Very low165 Ų165161.8 Ų161.886%0.86478%0.782SS**  -173.3120.4128.3-104165.4000114.5
1553S26.2Very low28.4Very low96 Ų96164.2 Ų164.267%0.67179%0.794SS**  trans17.6112.9137.1-1670000120.3
1554R28.5Very low28.4Very low237 Ų237162.8 Ų162.889%0.89480%0.8SS**  -175.3167.2108.1-99.6168.7-173.3-159.31.7114.4
1555R26.5Very low28.3Very low239 Ų239164.3 Ų164.390%0.90281%0.809SS**  trans-39.5147.3168.3-56.6167.5178175.6-4111.5
1556S31.9Very low28.3Very low99 Ų99167.5 Ų167.569%0.69282%0.822SS**  -169.2135.268.653.10000117
1557H29.1Very low28.4Very low189 Ų189163.4 Ų163.488%0.87582%0.817SS**  trans62.5162149.9-72.5-69.6000120.8
1558P30.3Very low28.2Very low98 Ų98169.8 Ų169.864%0.63682%0.816SS**  trans-121.1-162-15743-28.5000114.4
1559F25.5Very low28.2Very low186 Ų186164.1 Ų164.182%0.81681%0.809SS**  trans90.994.2177.1-66-76.8000117.7
1560S28.9Very low28.3Very low145 Ų145169.5 Ų169.5100%1.01483%0.825SS**  -157.40112.545.80000110.3R1518R1518-S1560 PolarHBondContact NH1-OG 3.37Å; R1518-S1560 PolarHBondContact NH2-O 3.24Å

Retrieved 1,560 of 1,560 residues in 1419.1 ms (Link to these results)