A0A5K4EMH9_SCHMA Loading...

RPAP1_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EMH9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,657 aa.

>A0A5K4EMH9_SCHMA|A0A5K4EMH9
MILQRSNAPLLLDMFDKHAKSDEQLLLEQAKFISSRCAADSSNTTMVSSGNRRKSIPLSNYVASVEKETKIPCFLPTIVEHQRTLSEGNITKAHQSFCEVNNSSHKCGAPKSIFGREMERAGFTRSTYNQSHFSIPEQSNCHLECLKYLKETGPQIITGTGLGTRANEVERIHQENLERLSQLTEKEILEEREKILSFADPNVLSFLIQKGRNMKNADTVKTRCEIQELSSKPTNSDISSSPLSPDPKILHMDVLEVDKLEWTRDLPPVAKKAPSVELSNTNSMETSANEASSDHLEANDHEIGKHECGRNTHQARFDLSGLVVPPDADVDTYLGLHHHGEEPERAGYTIGEMFHLCRSSVPAQRRLAISMLGSSLVQTRLGRHIRYLAPVNSPSLITCLLLSKNTSSEIPNANQTGGCGGILFLLRWCLDEAVSTLTSTNSVGGNRDAGGASLALVIECIRCLANLICDTQSELFLNYAYEWPIESIYKSCLFIAPPIKPINTSVTSQQSTGEEHDDSELAANDPVEFLFIRSKLARRIAWLLAPGKGRAGVCLTADAAGLWLPSLIIRGLRHSSSTAYEIFRTPELVSALLMHYLPINEYQLYNKESSKINRPNHLSSVNNIPLPSIMRLCRIWTQISDSILLAFVNDHHLIERCLSYLCYKDSTGNQSNLTTSNLVGFLHNALPICLAIQLQIESIRCLNSCFVNRTPPYKAVCLLQNNLSDIFHSAQNCWILYHSKFITERQTSLIEEDYFLTPLLTSWIHFLINLSFCLMEGENNNSTNIHQTIQMIIENVLNWCCELENHISKKLQSNLITPVWESFEKDLTEAGLNTSLMAVVITSSLKCIQLLSRINSQLNTSFHKQLTNHWNNSLTPIFKLPFWNQMLCRFMQNESILTGSPVQVRDVSPCLLPESSINVHTNEGVKLDWTSLDQNTLLDDGVLQLVSLSPSCLPNYGTVLYFCYDPHYSQLSGLTWPKVVSQSINSATQEIKNTNIQNECDQVSFNPKQMNTRYLPLMSAIVNILESIIIQFKLHMITLRELSPISDLLLPLIDWIKRVYQKSFFLKWKSLTMFQQKFSTITSTDEVDNDEPHLLISIESELITRILLLFSQILELNESNLSVYLKSSLCCNSTLGEYVNSGNIIHLAALRILPYLRKGQEELRTRLILEVIFNNRQIELNSFNDTLNVEYVLRRLHEIRELYYHELVLGTTSTSIARNDGVTDNINDNEDSRLSLSPILEDMPEVNPDHSLKYQSIFQLNHVISKPRSVCDRLISKEWVYMPFIHAYLLSKCKKINEEDETYRKLILDRSLNCLTWINYLQKIANLCDSSDSYNFGFMDPVESIVRLTLGSISYPGAGGLGFEPTGQLLAEILYSIGPIKPSSTFRNDKQTNTSLEVVKLPVNFPSYYDLYIDLVNHYNALSYNSPVFANLVLWPCQQLCHVKYRRALWGEHQQVLNSLRIVLSQLVIPLSSFLEPVESNSSMIRVYAAAILSGTVQITRQPLLFLIAVHHLNRYLYNKDNWNSEFTQQFVRLCKLFPHVTNIKPTSSSSIQKVDGDKTDILNLLRFYKQPNKQWLQQTKSIKLNTNLHVGIHDSLVHLIHNNDNDSNNDYANITNAKTFNEAILKASIECYNTDTLPKHRQLYWNELFKRDNIKK
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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
1M29.1Very low26.3Very low247 Ų247161.4 Ų161.4100%1.21785%0.848SS**  0129.60-88.6-176-100.100108.2
2I25.6Very low26.3Very low162 Ų162161.4 Ų161.483%0.83185%0.848SS**  trans-82.8148.4-173.5-58.8169.7000108.9
3L25.2Very low26.5Very low159 Ų159158.5 Ų158.583%0.83283%0.833SS**  trans105.794.5167.7-62.3163.9000115.6
4Q27.8Very low26.6Very low188 Ų188158.6 Ų158.688%0.87983%0.83SS**  -167.4103112-102.5177.9-0.700109.7S6Q4-S6 PolarHBondContact O-N 3.36Å
5R23.5Very low26.7Very low255 Ų255160.5 Ų160.596%0.96283%0.83SS**  trans-75.9108.8156.7-82.8178.6170.5175.5-4106.7
6S27.4Very low26.9Very low105 Ų105159.8 Ų159.873%0.73483%0.828SS**  trans-112.3112.8159.954.30000108.2Q4 A8Q4-S6 PolarHBondContact O-N 3.36Å; S6-A8 PolarHBondContact O-N 3.25Å
7N26.3Very low27.2Very low159 Ų159159.5 Ų159.585%0.8582%0.819SS**  trans-52121.2169.7-69.7-33.3000110.6
8A25.4Very low27.9Very low82 Ų82160.6 Ų160.668%0.67882%0.819SS**  trans-139.181.8161.800000109.5S6 L10S6-A8 PolarHBondContact O-N 3.25Å; A8-L10 VanDerWaalsContact C-N 3.31Å; A8-L10 PolarHBondContact O-N 3.03Å
9P26.6Very low28.3Very low122 Ų122157.3 Ų157.379%0.79282%0.819SS**  trans-82.582.8162.433.5-25.6000107.2
10L26.6Very low28.9Very low144 Ų144154.6 Ų154.675%0.75480%0.8SS**  trans-124.38.3175.9-96.3165.8000113.5A8A8-L10 VanDerWaalsContact C-N 3.31Å; A8-L10 PolarHBondContact O-N 3.03Å
11L26.2Very low29.8Very low152 Ų152150.1 Ų150.180%0.79678%0.782SS**SBendtrans-108-2.7-177.7-103.3152.3000114.9
12L25.5Very low30.4Very low162 Ų162144.6 Ų144.685%0.84876%0.757SS**SBendtrans-92.8-9.3176.3-14673.3000113.8
13D28.8Very low31.7Very low123 Ų123144.4 Ų144.466%0.65875%0.753SS**SBendtrans-100.31.8-173.1-134.427.1000114.2
14M28Very low33Very low161 Ų161141.8 Ų141.879%0.79374%0.737SS**SBendtrans-98-17.2178.2-92.1-174.354.800114.7
15F29.2Very low34Very low187 Ų187137 Ų13782%0.8272%0.717SS**SBendtrans-94.6-4.2-178.5-90.8-76.9000115.1
16D29.5Very low35.5Very low149 Ų149130 Ų13080%0.79770%0.698SS**SBendtrans-104.813.4-172.7-114.2-1.2000115.6
17K31.4Very low37.1Very low155 Ų155129.9 Ų129.967%0.67469%0.688SS**SBendtrans-104.1-11.6-173.1-85.7-174.1179.1172.30119.6
18H39.3Very low38.6Very low179 Ų179127.1 Ų127.183%0.82967%0.67SS**  trans-145.218.4-178.9-73.7-56.4000117.6K20H18-K20 VanDerWaalsContact C-N 3.31Å; H18-K20 PolarHBondContact O-N 2.85Å
19A37Very low39.6Very low98 Ų98128.5 Ų128.581%0.8166%0.663SS**  trans-75.789.4162.800000108.6S21A19-S21 PolarHBondContact O-N 3.03Å
20K39.2Very low40.9Very low102 Ų102125.2 Ų125.244%0.44365%0.646SS.*  trans-55.6123.2170.4-72.9-177.5170.8-177.40107.8H18 Q24 E28H18-K20 VanDerWaalsContact C-N 3.31Å; H18-K20 PolarHBondContact O-N 2.85Å; K20-Q24 HydrophobicContact CB-CB 4.36Å; K20-E28 IonicContact NZ-OE1 3.78Å; K20-E28 PolarHBondContact NZ-OE1 2.89Å; K20-E28 IonicContact NZ-OE2 3.62Å; K20-E28 PolarHBondContact NZ-OE2 2.72Å
21S48.2Very low41.8Very low61 Ų61124.4 Ų124.443%0.42764%0.636SS.*  trans-63152175.855.20000110.5A19 E23 Q24 L25A19-S21 PolarHBondContact O-N 3.03Å; S21-E23 PolarHBondContact O-N 2.78Å; S21-E23 VanDerWaalsContact O-N 3.07Å; S21-Q24 WeakPolarHBondContact O-CA 3.31Å; S21-Q24 WeakPolarHBondContact O-CB 3.12Å; S21-Q24 PolarHBondContact O-N 2.97Å; S21-L25 PolarHBondContact O-N 3.22Å
22D41.7Very low42.7Very low131 Ų131124 Ų12470%0.70163%0.628SS**Hα-helixtrans-53.8-30.6178.1-69.4-30.5000112.5Q24 L25 L26D22-Q24 PolarHBondContact O-N 3.33Å; D22-L25 PolarHBondContact O-N 2.93Å; D22-L26 WeakPolarHBondContact O-CB 3.3Å; D22-L26 WeakPolarHBondContact O-CG 3.34Å; D22-L26 PolarHBondContact O-N 2.85Å
23E52.4Low43.3Very low159 Ų159121.9 Ų121.974%0.74362%0.617SS**Hα-helixtrans-62.4-38.5171.7-76.8-169.6156.700113.2S21 L27S21-E23 PolarHBondContact O-N 2.78Å; S21-E23 VanDerWaalsContact O-N 3.07Å; E23-L27 VanDerWaalsContact O-CB 3.24Å; E23-L27 WeakPolarHBondContact O-CB 3.37Å; E23-L27 PolarHBondContact O-N 3.43Å
24Q53.8Low43.8Very low104 Ų104119.1 Ų119.149%0.48661%0.607SS.*Hα-helixtrans-71.3-34.4176-73.8-175.9-8.500111.8K20 S21 D22 L27 E28K20-Q24 HydrophobicContact CB-CB 4.36Å; S21-Q24 WeakPolarHBondContact O-CA 3.31Å; S21-Q24 WeakPolarHBondContact O-CB 3.12Å; S21-Q24 PolarHBondContact O-N 2.97Å; D22-Q24 PolarHBondContact O-N 3.33Å; Q24-L27 PolarHBondContact O-N 2.85Å; Q24-E28 WeakPolarHBondContact O-CB 3.26Å; Q24-E28 PolarHBondContact O-N 3.37Å
25L48.3Very low44.1Very low88 Ų88114.7 Ų114.746%0.46159%0.592SS.*Hα-helixtrans-68.4-40.9175.9-123.7149.4000111S21 D22 E28 Q29S21-L25 PolarHBondContact O-N 3.22Å; D22-L25 PolarHBondContact O-N 2.93Å; L25-E28 PolarHBondContact O-N 3.41Å; L25-Q29 PolarHBondContact O-N 2.85Å
26L55.5Low44.1Very low108 Ų108116 Ų11657%0.56559%0.591SS**Hα-helixtrans-66.7-37.9170.7-79.3164.4000112.1D22 Q29 A30D22-L26 WeakPolarHBondContact O-CB 3.3Å; D22-L26 WeakPolarHBondContact O-CG 3.34Å; D22-L26 PolarHBondContact O-N 2.85Å; L26-Q29 PolarHBondContact O-N 3.19Å; L26-A30 WeakPolarHBondContact O-CB 3.17Å; L26-A30 PolarHBondContact O-N 3.4Å
27L59.7Low44.2Very low101 Ų101114.1 Ų114.153%0.52959%0.589SS.*Hα-helixtrans-69.9-33.6175.4-160.679.3000111.5E23 Q24 K31E23-L27 VanDerWaalsContact O-CB 3.24Å; E23-L27 WeakPolarHBondContact O-CB 3.37Å; E23-L27 PolarHBondContact O-N 3.43Å; Q24-L27 PolarHBondContact O-N 2.85Å; L27-K31 WeakPolarHBondContact O-CB 3.48Å; L27-K31 WeakPolarHBondContact O-CG 3.49Å; L27-K31 PolarHBondContact O-N 3.23Å
28E57.8Low44.2Very low101 Ų101110 Ų11047%0.47258%0.584SS.*Hα-helixtrans-70.7-40.5171.2-94.1-178.417200111.4K20 Q24 L25 K31 F32K20-E28 IonicContact NZ-OE1 3.78Å; K20-E28 PolarHBondContact NZ-OE1 2.89Å; K20-E28 IonicContact NZ-OE2 3.62Å; K20-E28 PolarHBondContact NZ-OE2 2.72Å; Q24-E28 WeakPolarHBondContact O-CB 3.26Å; Q24-E28 PolarHBondContact O-N 3.37Å; L25-E28 PolarHBondContact O-N 3.41Å; E28-K31 CarbonylContact O-C 3.57Å; E28-K31 PolarHBondContact O-N 2.68Å; E28-F32 WeakPolarHBondContact O-CB 3.36Å; E28-F32 PolarHBondContact O-N 3.32Å
29Q46.7Very low43.6Very low112 Ų112105.5 Ų105.552%0.52358%0.578SS.*Hα-helixtrans-62.4-44.1171.2-84.3-175.9-19.600111.4L25 L26 K31 F32 I33L25-Q29 PolarHBondContact O-N 2.85Å; L26-Q29 PolarHBondContact O-N 3.19Å; Q29-K31 VanDerWaalsContact C-N 3.35Å; Q29-F32 PolarHBondContact O-N 3.24Å; Q29-I33 WeakPolarHBondContact O-CB 3.17Å; Q29-I33 WeakPolarHBondContact O-CD1 3.46Å; Q29-I33 WeakPolarHBondContact O-CG1 3.22Å; Q29-I33 PolarHBondContact O-N 3.44Å
30A54.4Low43.2Very low53 Ų53108.7 Ų108.744%0.43858%0.581SS.*Hα-helixtrans-64.8-39.9175.400000111.2L26 I33 S34L26-A30 WeakPolarHBondContact O-CB 3.17Å; L26-A30 PolarHBondContact O-N 3.4Å; A30-I33 PolarHBondContact O-N 3.13Å; A30-S34 VanDerWaalsContact O-CB 3.23Å; A30-S34 WeakPolarHBondContact O-CB 3.13Å; A30-S34 PolarHBondContact O-N 3.44Å; A30-S34 PolarHBondContact O-OG 3.08Å
31K46Very low42.5Very low126 Ų126108.5 Ų108.555%0.54859%0.593SS.*Hα-helixtrans-65-41.3173.6-83.4177.5179.1179.90111.4L27 E28 Q29 S34 S35L27-K31 WeakPolarHBondContact O-CB 3.48Å; L27-K31 WeakPolarHBondContact O-CG 3.49Å; L27-K31 PolarHBondContact O-N 3.23Å; E28-K31 CarbonylContact O-C 3.57Å; E28-K31 PolarHBondContact O-N 2.68Å; Q29-K31 VanDerWaalsContact C-N 3.35Å; K31-S34 WeakPolarHBondContact CA-OG 3.44Å; K31-S34 CarbonylContact O-C 3.32Å; K31-S34 PolarHBondContact O-N 3.17Å; K31-S34 PolarHBondContact O-OG 3.33Å; K31-S35 WeakPolarHBondContact O-CB 3.39Å; K31-S35 PolarHBondContact O-N 3Å; K31-S35 PolarHBondContact O-OG 2.98Å; K31-S35 VanDerWaalsContact O-OG 3.11Å
32F44.3Very low41.4Very low143 Ų143110.8 Ų110.863%0.62761%0.609SS**Hα-helixtrans-65.7-41.4178.5-171.5-95.8000111.4E28 Q29 S35 R36E28-F32 WeakPolarHBondContact O-CB 3.36Å; E28-F32 PolarHBondContact O-N 3.32Å; Q29-F32 PolarHBondContact O-N 3.24Å; F32-S35 WeakPolarHBondContact CA-OG 3.42Å; F32-S35 PolarHBondContact O-OG 3.48Å; F32-R36 PolarHBondContact O-N 3.48Å
33I38.5Very low40.7Very low118 Ų118112.1 Ų112.161%0.60562%0.616SS**Hα-helixtrans-66.7-42.3173.1-65.9164.5000109.8Q29 A30 R36Q29-I33 WeakPolarHBondContact O-CB 3.17Å; Q29-I33 WeakPolarHBondContact O-CD1 3.46Å; Q29-I33 WeakPolarHBondContact O-CG1 3.22Å; Q29-I33 PolarHBondContact O-N 3.44Å; A30-I33 PolarHBondContact O-N 3.13Å; I33-R36 PolarHBondContact O-N 3.17Å
34S38.6Very low39.5Very low65 Ų65111.4 Ų111.446%0.45562%0.622SS.*Hα-helixtrans-70-32.3178.478.10000113.4A30 K31 R36 C37 A38A30-S34 VanDerWaalsContact O-CB 3.23Å; A30-S34 WeakPolarHBondContact O-CB 3.13Å; A30-S34 PolarHBondContact O-N 3.44Å; A30-S34 PolarHBondContact O-OG 3.08Å; K31-S34 WeakPolarHBondContact CA-OG 3.44Å; K31-S34 CarbonylContact O-C 3.32Å; K31-S34 PolarHBondContact O-N 3.17Å; K31-S34 PolarHBondContact O-OG 3.33Å; S34-R36 PolarHBondContact O-N 3.08Å; S34-C37 CarbonylContact O-C 3.55Å; S34-C37 PolarHBondContact O-N 3.41Å; S34-A38 WeakPolarHBondContact O-CB 3.49Å; S34-A38 PolarHBondContact O-N 3.12Å
35S34.5Very low38.1Very low68 Ų68112.4 Ų112.448%0.47664%0.636SS.*Hα-helixtrans-70.8-23.3179.455.90000111.8K31 F32 C37K31-S35 WeakPolarHBondContact O-CB 3.39Å; K31-S35 PolarHBondContact O-N 3Å; K31-S35 PolarHBondContact O-OG 2.98Å; K31-S35 VanDerWaalsContact O-OG 3.11Å; F32-S35 WeakPolarHBondContact CA-OG 3.42Å; F32-S35 PolarHBondContact O-OG 3.48Å; S35-C37 VanDerWaalsContact C-N 3.34Å
36R29.2Very low36.8Very low214 Ų214116.3 Ų116.381%0.80865%0.654SS**Hα-helixtrans-78.1-19.6170.5-139.3168.3-172.11632.1113F32 I33 S34F32-R36 PolarHBondContact O-N 3.48Å; I33-R36 PolarHBondContact O-N 3.17Å; S34-R36 PolarHBondContact O-N 3.08Å
37C32Very low35.4Very low110 Ų110117.2 Ų117.274%0.74366%0.663SS**Hα-helixtrans-92.6-10.7171.4-71.30000113.9S34 S35S34-C37 CarbonylContact O-C 3.55Å; S34-C37 PolarHBondContact O-N 3.41Å; S35-C37 VanDerWaalsContact C-N 3.34Å
38A30.1Very low33.7Very low70 Ų70117.7 Ų117.758%0.57968%0.675SS**SBendtrans-98.8-1.5-175.800000114.8S34S34-A38 WeakPolarHBondContact O-CB 3.49Å; S34-A38 PolarHBondContact O-N 3.12Å
39A28.6Very low32.2Very low84 Ų84118.3 Ų118.369%0.69469%0.691SS**SBendtrans-91.93.1-177.900000115.2
40D27.4Very low31.1Very low164 Ų164116.3 Ų116.388%0.87770%0.7SS**SBendtrans-117.951.7171.9-82.6-21.8000111.4
41S24.7Very low29.6Very low99 Ų99121.2 Ų121.269%0.69272%0.719SS**  trans-166.378.7161.750.80000114.2
42S25.6Very low28.5Very low109 Ų109126.7 Ų126.776%0.76274%0.736SS**  trans-158.789.8155.7610000111.4
43N26.4Very low27.3Very low159 Ų159131.1 Ų131.185%0.8575%0.749SS**  trans168.689.3154.3-86.2-20.5000105.5
44T27.5Very low26.6Very low143 Ų143134.7 Ų134.788%0.87776%0.76SS**  -171.4143.990.111.70000111
45T23.2Very low25.8Very low125 Ų125136.8 Ų136.877%0.76778%0.775SS**  trans-63.6148.9178.340.90000115.6
46M22.1Very low25.2Very low170 Ų170141 Ų14184%0.83779%0.79SS**  trans77.3116.1146.9-60.5-86.9-80.900118.2
47V26Very low25Very low127 Ų127136 Ų13677%0.7779%0.786SS**  168.1120.4110.3162.90000109
48S23.2Very low24.5Very low112 Ų112139.1 Ų139.178%0.78379%0.794SS**  trans-69.5129.2165.154.10000111.7
49S27.1Very low24.1Very low114 Ų114140 Ų14080%0.79780%0.796SS**  trans175.4131.8141.351.90000110.7
50G24.4Very low23.9Very low70 Ų70142.8 Ų142.872%0.72280%0.799SS**  trans-77.7172.8-177.700000115.8
51N21.7Very low23.6Very low156 Ų156146.2 Ų146.283%0.83480%0.801SS**  trans48.8105.2151.9-78.1-17.9000118.1
52R23.1Very low23.5Very low241 Ų241148.6 Ų148.691%0.90981%0.811SS**  166127113.2-89.8164.7-175.4-163.22.9112
53R20Very low23.4Very low236 Ų236147.8 Ų147.889%0.89181%0.811SS**  trans10.6124.6139.4-65.9176.7175.4174.5-2.4117.3
54K23.9Very low23.2Very low193 Ų193145.4 Ų145.484%0.83981%0.807SS**  trans158100.3136.5-87.9165-177.6-170.40108.9
55S20.6Very low23Very low109 Ų109145.9 Ų145.976%0.76281%0.809SS**  55.99195.372.20000114.6
56I22.3Very low22.9Very low157 Ų157148.9 Ų148.981%0.80582%0.815SS**  trans-140.4131.8147.4-61.9-176.7000107.8
57P24.2Very low23Very low109 Ų109149.8 Ų149.871%0.70881%0.814SS**  trans-93.5145.3-175.636.3-31.1000111.8
58L22Very low22.7Very low175 Ų175152 Ų15292%0.91682%0.816SS**  trans-125.596.7152.5-100.6104.4000109
59S22.1Very low22.6Very low89 Ų89153.4 Ų153.462%0.62282%0.82SS**  trans-62143.2147.450.20000110.3
60N25Very low22.3Very low141 Ų141157.9 Ų157.975%0.75483%0.825SS**  trans130.676.7150.8-68-8.5000111.6
61Y20.9Very low22.1Very low237 Ų237162.5 Ų162.593%0.92983%0.832SS**  trans-167.867.9137.6-110.6-79.9000107.7
62V22.7Very low22.2Very low149 Ų149159.9 Ų159.990%0.90382%0.823SS**  trans-136.8105.4164.6177.80000107.8
63A23Very low21.9Very low91 Ų91154.5 Ų154.575%0.75282%0.821SS**  trans178.3121.1156.100000102.5
64S22.5Very low22Very low110 Ų110152.5 Ų152.577%0.76982%0.819SS**SBendcis-179.897.844.631.10000108.5
65V22.6Very low21.7Very low153 Ų153150.8 Ų150.893%0.92782%0.818SS**  trans-15283.5150.4-173.30000107.7
66E20.9Very low21.9Very low187 Ų187150.7 Ų150.787%0.87482%0.815SS**  trans-94.9131.6158.9-77.1-179.3151.700108.2
67K24.2Very low21.8Very low190 Ų190149.5 Ų149.583%0.82682%0.815SS**  trans-172.5100.9136.7-103.1171.6-175.1-174.80110.5
68E20.7Very low21.7Very low173 Ų173152 Ų15281%0.80882%0.821SS**  trans32.8118.6136.9-60.6174.5156.600117.5
69T21.4Very low21.7Very low142 Ų142149 Ų14987%0.87181%0.81SS**  -167.5118.382.128.60000110
70K20.7Very low21.6Very low207 Ų207153 Ų15390%0.982%0.819SS**  trans-112.2125.1167.8-81.8180176.1176.40107.9
71I20.7Very low21.5Very low168 Ų168155 Ų15586%0.86282%0.823SS**  trans-131.4114.8156.9-59.2178.9000106.8
72P22.2Very low21.5Very low101 Ų101152.7 Ų152.766%0.65682%0.821SS**  trans-89.4155.1-170.634.5-33.5000113.6F74P72-F74 PolarHBondContact O-N 3.15Å
73C18.1Very low21.4Very low127 Ų127156.4 Ų156.486%0.85882%0.818SS**  trans-57.9123.4174.3-64.50000112.1
74F21.3Very low21.3Very low195 Ų195158.6 Ų158.686%0.85582%0.822SS**  trans-98.5111.8162.9-94.9-87.9000109.1P72P72-F74 PolarHBondContact O-N 3.15Å
75L18.9Very low21.3Very low157 Ų157160.9 Ų160.982%0.82283%0.825SS**  trans-83.4128156.5-89.5106.4000108.5
76P23.9Very low21.3Very low106 Ų106158.3 Ų158.369%0.68881%0.814SS**  trans-116.8108.4159.226.8-9.3000110.4
77T20.2Very low21.3Very low133 Ų133158.6 Ų158.682%0.81682%0.815SS**  trans-64.5120156.241.80000109.5
78I22.6Very low21.3Very low160 Ų160152.9 Ų152.982%0.82181%0.81SS**  trans-130.5116.7166.7-64.6-179.6000109.6
79V21.6Very low21.4Very low114 Ų114151.9 Ų151.969%0.69181%0.811SS**  trans-78.5135.4174.6167.70000109.9
80E20.2Very low21.5Very low173 Ų173152.6 Ų152.681%0.80881%0.807SS**  trans16.6111.1149.4-59.7176159.800117.7
81H21.8Very low21.6Very low181 Ų181148.2 Ų148.284%0.83880%0.799SS**  trans-128.6108.5151.8-103.153.9000109.8R83H81-R83 PolarHBondContact O-N 3.05Å
82Q20.8Very low21.7Very low190 Ų190150.1 Ų150.189%0.88880%0.8SS**  trans-58114.8166.9-66.2172.8-25.700109.3
83R20.5Very low21.7Very low226 Ų226149.4 Ų149.485%0.85380%0.803SS**  trans-12397.5159.5-85-173178.2173.40.9108.9H81 L85H81-R83 PolarHBondContact O-N 3.05Å; R83-L85 PolarHBondContact O-N 2.92Å
84T22Very low21.9Very low137 Ų137152.1 Ų152.184%0.8480%0.803SS**  trans-61.2109.2158.947.90000109.1
85L21.5Very low21.9Very low158 Ų158152 Ų15283%0.82781%0.805SS**  trans-130.5105.2161.2-89.3167.3000108.7R83R83-L85 PolarHBondContact O-N 2.92Å
86S22.2Very low22Very low99 Ų99150 Ų15069%0.69280%0.804SS**  trans-57.3138.6165.546.10000112.7
87E21.9Very low21.8Very low193 Ų193154.6 Ų154.690%0.90281%0.814SS**  trans50.377.3137.6-61.4-179.4171.800117.5
88G24.4Very low21.9Very low70 Ų70152.9 Ų152.972%0.72281%0.806SS**  trans-111.710515900000110.3I90G88-I90 PolarHBondContact O-N 3.14Å; G88-I90 VanDerWaalsContact O-N 3.07Å
89N22.9Very low21.8Very low153 Ų153154.3 Ų154.382%0.81881%0.81SS**  trans-48.9103.9178.9-71-43.4000113.7
90I22.6Very low21.7Very low156 Ų156155.1 Ų155.180%0.881%0.814SS**  trans-120.763.7159.9-53.9177.8000108G88G88-I90 PolarHBondContact O-N 3.14Å; G88-I90 VanDerWaalsContact O-N 3.07Å
91T22.8Very low21.8Very low116 Ų116154.3 Ų154.371%0.71282%0.815SS**  trans-91.991.7156.749.90000107.2
92K23.2Very low21.7Very low207 Ų207153.1 Ų153.190%0.982%0.815SS**SBendtrans172.168.5159.3-97.1165.3-171.5-174.10110.3
93A21.3Very low21.8Very low87 Ų87148.9 Ų148.972%0.71981%0.807SS**SBendtrans-1651.4162.200000114.8
94H22.6Very low21.8Very low184 Ų184143.7 Ų143.785%0.85281%0.805SS**SBendtrans-126.992.2179.6-82.824.3000109
95Q21.8Very low21.9Very low191 Ų191145.8 Ų145.889%0.89381%0.805SS**SBendtrans162.179154.2-92.7169.5400108.9
96S20.5Very low22Very low116 Ų116148.5 Ų148.581%0.81181%0.81SS**  trans-177.464.6151.950.40000111.1
97F20.4Very low22.1Very low202 Ų202150.1 Ų150.189%0.88682%0.82SS**SBendtrans-145.9118.3160.4-124.6-86.5000105.8
98C21.8Very low22.2Very low97 Ų97144.8 Ų144.866%0.65582%0.817SS**  cis-157110.6-14.7-102.90000103.1
99E20.7Very low22.3Very low191 Ų191145 Ų14589%0.89381%0.812SS**  trans-73.1135.4155.3-89.4-178.7160.200108N101E99-N101 PolarHBondContact O-N 3.02Å
100V20.8Very low22.6Very low131 Ų131144.2 Ų144.279%0.79482%0.815SS**  trans-58.8110.7-175.3176.60000109.8
101N21.8Very low22.9Very low155 Ų155145.3 Ų145.383%0.82981%0.814SS**  trans-133.3117.1161.9-98.6-27.8000110.9E99 S103E99-N101 PolarHBondContact O-N 3.02Å; N101-S103 PolarHBondContact O-N 2.95Å
102N19.7Very low23.5Very low157 Ų157143.7 Ų143.784%0.8481%0.808SS**  trans-50113.2176.6-67.3-42.9000111.7
103S22.9Very low24Very low101 Ų101140 Ų14071%0.70680%0.796SS**  trans-151.7122.7150.958.10000110.7N101 H105N101-S103 PolarHBondContact O-N 2.95Å; S103-H105 PolarHBondContact O-N 2.61Å
104S20.7Very low24.5Very low116 Ų116143.1 Ų143.181%0.81179%0.794SS**  trans-64.7105.9-178.5510000112
105H23.8Very low25Very low181 Ų181136.2 Ų136.284%0.83877%0.773SS**  trans-118.6112.1158.7-86.1-70.1000110.7S103 C107S103-H105 PolarHBondContact O-N 2.61Å; H105-C107 PolarHBondContact O-N 2.92Å
106K22.4Very low25.6Very low216 Ų216135.5 Ų135.594%0.93976%0.762SS**  trans-61.8103.6178.2-68.4170.7174.2174.70110.2
107C24.4Very low26.4Very low132 Ų132135.7 Ų135.789%0.89275%0.75SS**  trans-93.8111163.3-168.90000108.8H105 A109H105-C107 PolarHBondContact O-N 2.92Å; C107-A109 PolarHBondContact O-N 2.95Å
108G24.4Very low26.9Very low82 Ų82133.4 Ų133.485%0.84574%0.744SS**  trans-77.4111.3-174.700000112.7
109A26.9Very low27.5Very low75 Ų75137.1 Ų137.162%0.6275%0.752SS**  trans-130.4134.214900000107C107 K111C107-A109 PolarHBondContact O-N 2.95Å; A109-K111 PolarHBondContact O-N 3.06Å
110P28.7Very low28.3Very low136 Ų136138.5 Ų138.588%0.88375%0.749SS**  trans-71.9101-172.429.5-31.7000109.1
111K30.5Very low28.8Very low178 Ų178135 Ų13577%0.77473%0.733SS**  trans-75.5139.1174-67.9-179.7179.6-179.80109.9A109A109-K111 PolarHBondContact O-N 3.06Å
112S34.7Very low29.1Very low83 Ų83130.3 Ų130.358%0.5872%0.721SS**  trans-46.9146.6179.5166.60000113.3F114 G115S112-F114 PolarHBondContact O-N 2.98Å; S112-F114 VanDerWaalsContact O-N 3.14Å; S112-F114 PolarHBondContact OG-N 3.1Å; S112-G115 PolarHBondContact O-N 3.13Å
113I33.7Very low29.4Very low128 Ų128132.3 Ų132.366%0.65672%0.723SS**Hα-helixtrans-48.6-36.9176.4-87.5162000112.6G115 R116 E117I113-G115 VanDerWaalsContact C-N 3.3Å; I113-G115 PolarHBondContact O-N 3.14Å; I113-R116 WeakPolarHBondContact O-CB 3.44Å; I113-R116 PolarHBondContact O-N 3.42Å; I113-E117 PolarHBondContact O-N 3.4Å
114F31.7Very low29.4Very low153 Ų153133.6 Ų133.667%0.67173%0.727SS**Hα-helixtrans-62.6-35.5177-102.5-88.7000113.3S112 R116 E117 M118S112-F114 PolarHBondContact O-N 2.98Å; S112-F114 VanDerWaalsContact O-N 3.14Å; S112-F114 PolarHBondContact OG-N 3.1Å; F114-R116 PolarHBondContact O-N 2.95Å; F114-E117 PolarHBondContact O-N 3.16Å; F114-M118 PolarHBondContact O-N 3Å
115G33.5Very low29.5Very low40 Ų40140.5 Ų140.541%0.41274%0.735SS.*Hα-helixtrans-67-26.6175.800000112.8S112 I113S112-G115 PolarHBondContact O-N 3.13Å; I113-G115 VanDerWaalsContact C-N 3.3Å; I113-G115 PolarHBondContact O-N 3.14Å
116R33.9Very low29.3Very low175 Ų175136.3 Ų136.366%0.6673%0.726SS**Hα-helixtrans-79.3-29.8176.5-77.2-178.3177.3165.40.6113.2I113 F114I113-R116 WeakPolarHBondContact O-CB 3.44Å; I113-R116 PolarHBondContact O-N 3.42Å; F114-R116 PolarHBondContact O-N 2.95Å
117E37.8Very low29.2Very low120 Ų120132 Ų13256%0.56172%0.719SS**Hα-helixtrans-76.6-35178.7-81.4-168.6151.100112.7I113 F114 E119 R120 A121I113-E117 PolarHBondContact O-N 3.4Å; F114-E117 PolarHBondContact O-N 3.16Å; E117-E119 VanDerWaalsContact C-N 3.32Å; E117-E119 PolarHBondContact O-N 3.5Å; E117-R120 PolarHBondContact O-N 3.36Å; E117-R120 VanDerWaalsContact O-N 3.11Å; E117-A121 PolarHBondContact O-N 3.17Å
118M30.9Very low29Very low155 Ų155136.3 Ų136.376%0.76472%0.717SS**Hα-helixtrans-65-31.5179.1-78.8-145-81.600113.9F114F114-M118 PolarHBondContact O-N 3Å
119E34.2Very low28.9Very low174 Ų174139.5 Ų139.581%0.81372%0.715SS**Hα-helixtrans-76.6-29.6173-77.8-176.9172.100112.7E117 A121E117-E119 VanDerWaalsContact C-N 3.32Å; E117-E119 PolarHBondContact O-N 3.5Å; E119-A121 PolarHBondContact O-N 3.33Å
120R36.2Very low28.5Very low221 Ų221145 Ų14583%0.83473%0.728SS**Hα-helixtrans-68.9-23.8176.1-81.2-176.7177.7169.7-1.7113.1E117 G122E117-R120 PolarHBondContact O-N 3.36Å; E117-R120 VanDerWaalsContact O-N 3.11Å; R120-G122 PolarHBondContact O-N 2.81Å
121A33.1Very low28.2Very low56 Ų56143.5 Ų143.546%0.46372%0.721SS.*THydrogen-bonded Turntrans-83.7-1.6-175.900000115.2E117 E119 F123E117-A121 PolarHBondContact O-N 3.17Å; E119-A121 PolarHBondContact O-N 3.33Å; A121-F123 VanDerWaalsContact C-N 3.31Å; A121-F123 HydrophobicContact CB-CD2 4.19Å; A121-F123 HydrophobicContact CB-CE2 4.34Å; A121-F123 VanDerWaalsContact O-CD2 3.31Å; A121-F123 WeakPolarHBondContact O-CD2 3.48Å; A121-F123 PolarHBondContact O-N 3.29Å
122G27.2Very low27.7Very low57 Ų57143.8 Ų143.859%0.58872%0.724SS**  trans52.531.5157.300000118.3R120 T124R120-G122 PolarHBondContact O-N 2.81Å; G122-T124 PolarHBondContact O-N 2.8Å
123F25.4Very low27Very low200 Ų200149.3 Ų149.388%0.87774%0.738SS**  trans-70101.5-173.9-91.6-85.8000112.5A121A121-F123 VanDerWaalsContact C-N 3.31Å; A121-F123 HydrophobicContact CB-CD2 4.19Å; A121-F123 HydrophobicContact CB-CE2 4.34Å; A121-F123 VanDerWaalsContact O-CD2 3.31Å; A121-F123 WeakPolarHBondContact O-CD2 3.48Å; A121-F123 PolarHBondContact O-N 3.29Å
124T24.2Very low26.4Very low128 Ų128148.5 Ų148.579%0.78574%0.744SS**  trans-87129.9167.341.30000109.4G122 S126G122-T124 PolarHBondContact O-N 2.8Å; T124-S126 PolarHBondContact O-N 3.45Å
125R21Very low25.9Very low260 Ų260148.9 Ų148.998%0.98175%0.752SS**  trans-56.7103.5176.7-86.4173.8165.4170.9-5.6110.4
126S21.2Very low25.5Very low93 Ų93152.7 Ų152.765%0.6577%0.769SS**  trans-95.6127.7168.6-177.50000110.5T124T124-S126 PolarHBondContact O-N 3.45Å
127T20Very low25Very low127 Ų127152.4 Ų152.478%0.77978%0.775SS**  trans-69.3115.1173.8460000110.5
128Y20.6Very low24.3Very low221 Ų221155.1 Ų155.187%0.86779%0.788SS**PPolyproline II helixtrans-95.7121.4175.2-98.8-87.8000111.6
129N20.6Very low24.2Very low150 Ų150153 Ų15380%0.80279%0.788SS**PPolyproline II helixtrans-80.3149.8175.8-85.7-33.2000111.9
130Q19.7Very low24Very low191 Ų191151.6 Ų151.689%0.89379%0.786SS**PPolyproline II helixtrans-54.5134.6176.4-66.3163-21.500113
131S21.7Very low23.4Very low104 Ų104145.7 Ų145.773%0.72778%0.778SS**  trans-135.4130.9158.856.20000110.8
132H20.1Very low23.1Very low183 Ų183150.8 Ų150.885%0.84779%0.792SS**  trans-63.6133.1179.4-75.2-102.5000111.7
133F20.5Very low23.3Very low199 Ų199152.7 Ų152.787%0.87379%0.788SS**  trans-130.3126.6160.6-97.9-84000111
134S22.1Very low23.7Very low112 Ų112150 Ų15078%0.78378%0.778SS**PPolyproline II helixtrans-81145.3-177.7-39.10000111.2
135I21.3Very low24.1Very low161 Ų161148.6 Ų148.683%0.82677%0.773SS**PPolyproline II helixtrans-75.5129.1-174.5-60.2156.2000110.6
136P23.9Very low24.7Very low120 Ų120138.9 Ų138.978%0.77974%0.739SS**PPolyproline II helixtrans-86.9138.1164.724.4-13.6000111.3
137E23.5Very low25.7Very low169 Ų169139 Ų13979%0.7973%0.729SS**PPolyproline II helixtrans-72.9148.4-176-66.6170.6146.200113.5
138Q23.2Very low26.6Very low177 Ų177137.7 Ų137.783%0.82771%0.71SS**  trans50.5102.7146.1-64.6175.6-0.800118.8
139S28.4Very low27.4Very low110 Ų110128.7 Ų128.777%0.76968%0.677SS**  trans177.3136.6132.340.50000114.3
140N30.3Very low28.3Very low144 Ų144127.5 Ų127.577%0.7766%0.664SS**  trans62.5108.7152.1-62.4-11000121.1H142 L143N140-H142 PolarHBondContact O-N 3.17Å; N140-L143 PolarHBondContact O-N 3.31Å
141C24.1Very low29.2Very low98 Ų98125.6 Ų125.666%0.66266%0.655SS**THydrogen-bonded Turntrans-49.8-14.9178-172.60000117.3L143 E144C141-L143 PolarHBondContact O-N 3Å; C141-L143 VanDerWaalsContact O-N 3.17Å; C141-E144 PolarHBondContact O-N 3.26Å
142H26.1Very low30Very low163 Ų163122.2 Ų122.276%0.75563%0.63SS**Hα-helixtrans-63.6-21177.7-119.827.8000113.1N140 E144N140-H142 PolarHBondContact O-N 3.17Å; H142-E144 VanDerWaalsContact C-N 3.32Å; H142-E144 PolarHBondContact O-N 3.24Å
143L31.2Very low30.7Very low96 Ų96114.4 Ų114.450%0.50360%0.599SS.*Hα-helixtrans-72.7-20.7-177.9-161.964.2000113.3N140 C141 K147N140-L143 PolarHBondContact O-N 3.31Å; C141-L143 PolarHBondContact O-N 3Å; C141-L143 VanDerWaalsContact O-N 3.17Å; L143-K147 HydrophobicContact CD2-CD 4.4Å; L143-K147 HydrophobicContact CG-CD 4.05Å; L143-K147 HydrophobicContact CG-CG 4.21Å; L143-K147 WeakPolarHBondContact O-CB 3.5Å; L143-K147 WeakPolarHBondContact O-CG 3.42Å; L143-K147 PolarHBondContact O-N 3.48Å
144E34.3Very low31.5Very low145 Ų145106.6 Ų106.668%0.67857%0.569SS**Hα-helixtrans-78.7-41.9-174.4-78.9-174.8168.900114.3C141 H142 L146 K147 Y148C141-E144 PolarHBondContact O-N 3.26Å; H142-E144 VanDerWaalsContact C-N 3.32Å; H142-E144 PolarHBondContact O-N 3.24Å; E144-L146 VanDerWaalsContact C-N 3.35Å; E144-L146 PolarHBondContact O-N 2.95Å; E144-K147 PolarHBondContact O-N 2.85Å; E144-Y148 WeakPolarHBondContact O-CB 3.43Å; E144-Y148 PolarHBondContact O-N 3.39Å
145C31.8Very low32.4Very low98 Ų98105.1 Ų105.166%0.66255%0.549SS*.Hα-helixtrans-64.8-39.4174.6-80.60000112Y148 L149C145-Y148 PolarHBondContact O-N 3.06Å; C145-L149 WeakPolarHBondContact O-CG 3.1Å; C145-L149 PolarHBondContact O-N 3.41Å
146L35.1Very low33.5Very low55 Ų55103.6 Ų103.629%0.28854%0.541SS..Hα-helixtrans-69.6-37.1174.5-80.5166.2000112.2E144 L149 K150E144-L146 VanDerWaalsContact C-N 3.35Å; E144-L146 PolarHBondContact O-N 2.95Å; L146-L149 PolarHBondContact O-N 3.2Å; L146-K150 WeakPolarHBondContact O-CB 3.21Å; L146-K150 PolarHBondContact O-N 3.03Å
147K40.5Very low34.3Very low97 Ų97101.1 Ų101.142%0.42252%0.521SS..Hα-helixtrans-63.4-45.4170.8-86.7175.1174.6177.10111.3L143 E144 L149 K150 E151L143-K147 HydrophobicContact CD2-CD 4.4Å; L143-K147 HydrophobicContact CG-CD 4.05Å; L143-K147 HydrophobicContact CG-CG 4.21Å; L143-K147 WeakPolarHBondContact O-CB 3.5Å; L143-K147 WeakPolarHBondContact O-CG 3.42Å; L143-K147 PolarHBondContact O-N 3.48Å; E144-K147 PolarHBondContact O-N 2.85Å; K147-L149 PolarHBondContact O-N 3.45Å; K147-K150 CarbonylContact O-C 3.58Å; K147-K150 PolarHBondContact O-N 3.04Å; K147-E151 WeakPolarHBondContact O-CB 3.3Å; K147-E151 WeakPolarHBondContact O-CG 3.49Å; K147-E151 PolarHBondContact O-N 3.33Å
148Y40.6Very low35.3Very low99 Ų9995.1 Ų95.139%0.38850%0.496SS..Hα-helixtrans-56.4-50.6175.4177.9-93.7000110.6E144 C145 K150 E151 T152 L322E144-Y148 WeakPolarHBondContact O-CB 3.43Å; E144-Y148 PolarHBondContact O-N 3.39Å; C145-Y148 PolarHBondContact O-N 3.06Å; Y148-K150 VanDerWaalsContact C-N 3.34Å; Y148-K150 PolarHBondContact O-N 2.97Å; Y148-E151 PolarHBondContact O-N 3.4Å; Y148-E151 VanDerWaalsContact O-N 3.1Å; Y148-T152 HydrophobicContact CD2-CG2 3.86Å; Y148-T152 HydrophobicContact CE1-CG2 4.47Å; Y148-T152 WeakPolarHBondContact CE1-OG1 3.12Å; Y148-T152 HydrophobicContact CE2-CG2 3.63Å; Y148-T152 HydrophobicContact CG-CG2 4.39Å; Y148-T152 WeakPolarHBondContact O-CB 3.45Å; Y148-T152 PolarHBondContact O-N 3.04Å; Y148-T152 PolarHBondContact O-OG1 2.84Å; Y148-L322 HydrophobicContact CE1-CD1 3.97Å; Y148-L322 WeakPolarHBondContact OH-CD1 3.25Å
149L36.2Very low35.8Very low32 Ų3286.8 Ų86.817%0.16846%0.457CS..Hα-helixtrans-60.8-39176.6-73.8169.9000113.1C145 L146 K147 G153 V330C145-L149 WeakPolarHBondContact O-CG 3.1Å; C145-L149 PolarHBondContact O-N 3.41Å; L146-L149 PolarHBondContact O-N 3.2Å; K147-L149 PolarHBondContact O-N 3.45Å; L149-G153 PolarHBondContact O-N 3.49Å; L149-V330 HydrophobicContact CD1-CG2 4.05Å
150K39.8Very low36.4Very low125 Ų12584.6 Ų84.654%0.54344%0.439SS..Hα-helixtrans-65.7-37.6172.6-90.4-175.1174.5178.40112.9L146 K147 Y148 Y333L146-K150 WeakPolarHBondContact O-CB 3.21Å; L146-K150 PolarHBondContact O-N 3.03Å; K147-K150 CarbonylContact O-C 3.58Å; K147-K150 PolarHBondContact O-N 3.04Å; Y148-K150 VanDerWaalsContact C-N 3.34Å; Y148-K150 PolarHBondContact O-N 2.97Å; K150-Y333 WeakPolarHBondContact CE-OH 3.28Å
151E39.2Very low36.7Very low150 Ų15080 Ų8070%0.70143%0.426SS*.Hα-helixtrans-85.4-27.4-173.9-72.2173-168.700112.8K147 Y148K147-E151 WeakPolarHBondContact O-CB 3.3Å; K147-E151 WeakPolarHBondContact O-CG 3.49Å; K147-E151 PolarHBondContact O-N 3.33Å; Y148-E151 PolarHBondContact O-N 3.4Å; Y148-E151 VanDerWaalsContact O-N 3.1Å
152T37Very low37.2Very low33 Ų3379.8 Ų79.820%0.20242%0.418CS..Hα-helixtrans-113.11.8-174.668.40000115.1Y148Y148-T152 HydrophobicContact CD2-CG2 3.86Å; Y148-T152 HydrophobicContact CE1-CG2 4.47Å; Y148-T152 WeakPolarHBondContact CE1-OG1 3.12Å; Y148-T152 HydrophobicContact CE2-CG2 3.63Å; Y148-T152 HydrophobicContact CG-CG2 4.39Å; Y148-T152 WeakPolarHBondContact O-CB 3.45Å; Y148-T152 PolarHBondContact O-N 3.04Å; Y148-T152 PolarHBondContact O-OG1 2.84Å
153G36.2Very low37.8Very low19 Ų1974.3 Ų74.320%0.19641%0.406CS..SBendtrans-57.8146.9173.800000112L149 Q155L149-G153 PolarHBondContact O-N 3.49Å; G153-Q155 PolarHBondContact O-N 2.97Å
154P37.4Very low38.3Very low35 Ų3576.3 Ų76.323%0.22742%0.422CS..  trans-61.1141.3-176.533.2-43.3000109.9I156 I157 T158 L319P154-I156 PolarHBondContact O-N 2.82Å; P154-I157 PolarHBondContact O-N 3.28Å; P154-T158 PolarHBondContact O-N 2.76Å; P154-T158 PolarHBondContact O-OG1 3Å; P154-L319 HydrophobicContact CB-CB 4.1Å; P154-L319 HydrophobicContact CG-CB 3.25Å; P154-L319 HydrophobicContact CG-CD1 3.37Å; P154-L319 HydrophobicContact CG-CD2 4.03Å; P154-L319 HydrophobicContact CG-CG 3.7Å
155Q40.3Very low38.4Very low82 Ų8277.2 Ų77.238%0.38342%0.419SS..THydrogen-bonded Turntrans-72.1-4.7-167.8-50.4-166-3000114.5G153 T158 G159 T160 G161G153-Q155 PolarHBondContact O-N 2.97Å; Q155-T158 WeakPolarHBondContact CA-OG1 3.23Å; Q155-G159 CarbonylContact O-C 3.43Å; Q155-G159 VanDerWaalsContact O-CA 3.29Å; Q155-G159 WeakPolarHBondContact O-CA 3.48Å; Q155-G159 PolarHBondContact O-N 3.5Å; Q155-G159 VanDerWaalsContact O-N 3.08Å; Q155-T160 WeakPolarHBondContact CA-OG1 3.4Å; Q155-T160 WeakPolarHBondContact CB-OG1 3.27Å; Q155-T160 WeakPolarHBondContact CG-OG1 3.41Å; Q155-T160 PolarHBondContact O-N 3.33Å; Q155-G161 VanDerWaalsContact CB-CA 3.49Å; Q155-G161 PolarHBondContact O-N 3.38Å
156I43.4Very low38.8Very low128 Ų12873.4 Ų73.466%0.65640%0.395SS*.THydrogen-bonded Turntrans-71.3-40.9175-62.9168.1000110.6P154P154-I156 PolarHBondContact O-N 2.82Å
157I42.5Very low39.5Very low69 Ų6976.2 Ų76.235%0.35441%0.41SS..THydrogen-bonded Turntrans-92.9-41.7-178.8-53.8-177.8000110.3P154 G159 L319P154-I157 PolarHBondContact O-N 3.28Å; I157-G159 PolarHBondContact O-N 3.34Å; I157-L319 HydrophobicContact CD1-CD1 3.77Å
158T43.3Very low39.9Very low42 Ų4275.2 Ų75.226%0.25841%0.407SS..SBendtrans-70.8-9.9175630000112.7P154 Q155 T160P154-T158 PolarHBondContact O-N 2.76Å; P154-T158 PolarHBondContact O-OG1 3Å; Q155-T158 WeakPolarHBondContact CA-OG1 3.23Å; T158-T160 PolarHBondContact O-N 3.15Å; T158-T160 VanDerWaalsContact O-N 3.12Å; T158-T160 PolarHBondContact OG1-OG1 3.21Å
159G34.5Very low40.3Very low2 Ų273.5 Ų73.52%0.02141%0.407CS..SBendtrans72.8-3.3178.400000114.9Q155 I157 G161 L162Q155-G159 CarbonylContact O-C 3.43Å; Q155-G159 VanDerWaalsContact O-CA 3.29Å; Q155-G159 WeakPolarHBondContact O-CA 3.48Å; Q155-G159 PolarHBondContact O-N 3.5Å; Q155-G159 VanDerWaalsContact O-N 3.08Å; I157-G159 PolarHBondContact O-N 3.34Å; G159-G161 PolarHBondContact O-N 2.83Å; G159-G161 VanDerWaalsContact O-N 3.1Å; G159-L162 WeakPolarHBondContact O-CB 3.37Å; G159-L162 PolarHBondContact O-N 2.87Å
160T39.9Very low41.2Very low64 Ų6478.5 Ų78.539%0.39343%0.429SS..G310 helixtrans-63.9-17.2-178.249.90000113.5Q155 T158 L162 A166Q155-T160 WeakPolarHBondContact CA-OG1 3.4Å; Q155-T160 WeakPolarHBondContact CB-OG1 3.27Å; Q155-T160 WeakPolarHBondContact CG-OG1 3.41Å; Q155-T160 PolarHBondContact O-N 3.33Å; T158-T160 PolarHBondContact O-N 3.15Å; T158-T160 VanDerWaalsContact O-N 3.12Å; T158-T160 PolarHBondContact OG1-OG1 3.21Å; T160-L162 VanDerWaalsContact C-N 3.28Å; T160-L162 PolarHBondContact O-N 2.96Å; T160-A166 HydrophobicContact CG2-CB 4.26Å
161G37.5Very low42.2Very low48 Ų4879.1 Ų79.150%0.49543%0.428SS..G310 helixtrans-88.1-4.9-175.700000112Q155 G159 G163Q155-G161 VanDerWaalsContact CB-CA 3.49Å; Q155-G161 PolarHBondContact O-N 3.38Å; G159-G161 PolarHBondContact O-N 2.83Å; G159-G161 VanDerWaalsContact O-N 3.1Å; G161-G163 PolarHBondContact O-N 3.44Å
162L34.8Very low43.1Very low94 Ų9475.7 Ų75.749%0.49241%0.414SS..G310 helixtrans-84.412172.5-61.7155.5000111.7G159 T160 T164 R165G159-L162 WeakPolarHBondContact O-CB 3.37Å; G159-L162 PolarHBondContact O-N 2.87Å; T160-L162 VanDerWaalsContact C-N 3.28Å; T160-L162 PolarHBondContact O-N 2.96Å; L162-T164 PolarHBondContact O-N 3.03Å; L162-R165 HydrophobicContact CB-CB 3.52Å; L162-R165 HydrophobicContact CB-CG 4.47Å; L162-R165 HydrophobicContact CD1-CB 4.5Å; L162-R165 PolarHBondContact O-N 2.96Å
163G38.5Very low44.4Very low48 Ų4879.5 Ų79.550%0.49543%0.429SS..G310 helixtrans60.4-121.7-179.300000111G161 R165 A166G161-G163 PolarHBondContact O-N 3.44Å; G163-R165 PolarHBondContact O-N 3.28Å; G163-A166 WeakPolarHBondContact O-CB 3.17Å; G163-A166 PolarHBondContact O-N 2.71Å
164T41.9Very low45.8Very low138 Ų13883.7 Ų83.785%0.84744%0.444SS*.G310 helixtrans-61.9-6.9-18053.80000114.9L162L162-T164 PolarHBondContact O-N 3.03Å
165R36.3Very low47.4Very low163 Ų16384.9 Ų84.962%0.61545%0.446SS*.G310 helixtrans-89.3-5.5173.9-76.2176.7177.6-176.1-0.6114.3L162 G163 N167 E168L162-R165 HydrophobicContact CB-CB 3.52Å; L162-R165 HydrophobicContact CB-CG 4.47Å; L162-R165 HydrophobicContact CD1-CB 4.5Å; L162-R165 PolarHBondContact O-N 2.96Å; G163-R165 PolarHBondContact O-N 3.28Å; R165-N167 PolarHBondContact O-N 3.06Å; R165-E168 WeakPolarHBondContact O-CA 3.22Å; R165-E168 WeakPolarHBondContact O-CB 3.25Å; R165-E168 PolarHBondContact O-N 3.42Å
166A40.1Very low48.7Very low18 Ų1884.6 Ų84.615%0.14945%0.447CS..Hα-helixtrans-53.4-44.3171.700000111.3T160 G163 E168 V169T160-A166 HydrophobicContact CG2-CB 4.26Å; G163-A166 WeakPolarHBondContact O-CB 3.17Å; G163-A166 PolarHBondContact O-N 2.71Å; A166-E168 PolarHBondContact O-N 3.11Å; A166-V169 PolarHBondContact O-N 3.46Å
167N48.7Very low50Low114 Ų11482.6 Ų82.661%0.6144%0.438SS*.Hα-helixtrans-58.2-22175.7-61.81.4000113R165 R171R165-N167 PolarHBondContact O-N 3.06Å; N167-R171 WeakPolarHBondContact O-CB 3.41Å; N167-R171 PolarHBondContact O-N 3.15Å
168E50.7Low51.4Low76 Ų7684 Ų8436%0.35544%0.443SS..Hα-helixtrans-74.6-38.4178.4-162.377.5177.500111.3R165 A166 R171 I172R165-E168 WeakPolarHBondContact O-CA 3.22Å; R165-E168 WeakPolarHBondContact O-CB 3.25Å; R165-E168 PolarHBondContact O-N 3.42Å; A166-E168 PolarHBondContact O-N 3.11Å; E168-R171 VanDerWaalsContact CD-CZ 3.49Å; E168-R171 PolarHBondContact O-N 3.41Å; E168-R171 IonicContact OE1-CZ 2.7Å; E168-R171 IonicContact OE1-NH1 3.93Å; E168-R171 IonicContact OE1-NH2 2.72Å; E168-R171 PolarHBondContact OE1-NH2 3.07Å; E168-R171 IonicContact OE2-CZ 2.62Å; E168-R171 IonicContact OE2-NH1 2.89Å; E168-R171 PolarHBondContact OE2-NH1 2.93Å; E168-R171 IonicContact OE2-NH2 3.04Å; E168-R171 PolarHBondContact OE2-NH2 3.13Å; E168-I172 HydrophobicContact CG-CD1 4.02Å; E168-I172 WeakPolarHBondContact O-CB 3.46Å; E168-I172 WeakPolarHBondContact O-CD1 3.46Å; E168-I172 WeakPolarHBondContact O-CG1 3.46Å; E168-I172 PolarHBondContact O-N 3.03Å
169V48.6Very low52.7Low63 Ų6388.7 Ų88.738%0.38246%0.456SS..Hα-helixtrans-68.3-44.9-179.9177.80000110.7A166 R171 I172 H173A166-V169 PolarHBondContact O-N 3.46Å; V169-R171 VanDerWaalsContact C-N 3.33Å; V169-I172 PolarHBondContact O-N 2.9Å; V169-H173 WeakPolarHBondContact O-CB 3.49Å; V169-H173 PolarHBondContact O-N 3.41Å
170E54.3Low54.1Low138 Ų13893.8 Ų93.865%0.64548%0.482SS*.Hα-helixtrans-63-39.8172.9-82.6166.1153.400111.5H173 Q174E170-H173 PolarHBondContact O-N 3.27Å; E170-Q174 VanDerWaalsContact O-CB 3.31Å; E170-Q174 WeakPolarHBondContact O-CB 3.5Å; E170-Q174 PolarHBondContact O-N 2.94Å
171R61.7Low55.7Low137 Ų13795.2 Ų95.252%0.51750%0.495SS..Hα-helixtrans-63.7-43.1174.5-164-177.382.1-146.5-0.2112N167 E168 V169 H173 Q174 E175N167-R171 WeakPolarHBondContact O-CB 3.41Å; N167-R171 PolarHBondContact O-N 3.15Å; E168-R171 VanDerWaalsContact CD-CZ 3.49Å; E168-R171 PolarHBondContact O-N 3.41Å; E168-R171 IonicContact OE1-CZ 2.7Å; E168-R171 IonicContact OE1-NH1 3.93Å; E168-R171 IonicContact OE1-NH2 2.72Å; E168-R171 PolarHBondContact OE1-NH2 3.07Å; E168-R171 IonicContact OE2-CZ 2.62Å; E168-R171 IonicContact OE2-NH1 2.89Å; E168-R171 PolarHBondContact OE2-NH1 2.93Å; E168-R171 IonicContact OE2-NH2 3.04Å; E168-R171 PolarHBondContact OE2-NH2 3.13Å; V169-R171 VanDerWaalsContact C-N 3.33Å; R171-H173 VanDerWaalsContact C-N 3.34Å; R171-Q174 PolarHBondContact O-N 3.27Å; R171-E175 WeakPolarHBondContact O-CB 3.43Å; R171-E175 PolarHBondContact O-N 3.21Å
172I57.8Low57.3Low78 Ų7899.9 Ų99.940%0.450%0.503SS..Hα-helixtrans-63.7-40.9176.8-70.4162.7000110.4E168 V169 E175 N176E168-I172 HydrophobicContact CG-CD1 4.02Å; E168-I172 WeakPolarHBondContact O-CB 3.46Å; E168-I172 WeakPolarHBondContact O-CD1 3.46Å; E168-I172 WeakPolarHBondContact O-CG1 3.46Å; E168-I172 PolarHBondContact O-N 3.03Å; V169-I172 PolarHBondContact O-N 2.9Å; I172-E175 PolarHBondContact O-N 2.93Å; I172-N176 WeakPolarHBondContact O-CB 3.3Å; I172-N176 VanDerWaalsContact O-CG 3.23Å; I172-N176 PolarHBondContact O-N 3.41Å; I172-N176 PolarHBondContact O-ND2 3.16Å
173H63.5Low58.8Low113 Ų11398.4 Ų98.452%0.52350%0.496SS..Hα-helixtrans-65.8-47.4177.3-174.268.9000111.6V169 E170 R171 E175 N176 L177V169-H173 WeakPolarHBondContact O-CB 3.49Å; V169-H173 PolarHBondContact O-N 3.41Å; E170-H173 PolarHBondContact O-N 3.27Å; R171-H173 VanDerWaalsContact C-N 3.34Å; H173-E175 VanDerWaalsContact C-N 3.31Å; H173-E175 PolarHBondContact O-N 3.21Å; H173-N176 PolarHBondContact O-N 3.03Å; H173-L177 WeakPolarHBondContact O-CG 3.26Å; H173-L177 PolarHBondContact O-N 3.18Å
174Q65.9Low60.4Low108 Ų10899.7 Ų99.751%0.50549%0.494SS..Hα-helixtrans-61.5-41.2176.4-156.573.89.800111.1E170 R171 L177 E178E170-Q174 VanDerWaalsContact O-CB 3.31Å; E170-Q174 WeakPolarHBondContact O-CB 3.5Å; E170-Q174 PolarHBondContact O-N 2.94Å; R171-Q174 PolarHBondContact O-N 3.27Å; Q174-L177 PolarHBondContact O-N 2.96Å; Q174-E178 WeakPolarHBondContact O-CB 3.31Å; Q174-E178 VanDerWaalsContact O-CG 3.31Å; Q174-E178 WeakPolarHBondContact O-CG 3.22Å; Q174-E178 PolarHBondContact O-N 3.36Å
175E71.7Confident61.6Low60 Ų60100.9 Ų100.928%0.2849%0.49SS..Hα-helixtrans-64.2-39.6176.1-175.1-176.8161.400111.9R171 I172 H173 E178 R179R171-E175 WeakPolarHBondContact O-CB 3.43Å; R171-E175 PolarHBondContact O-N 3.21Å; I172-E175 PolarHBondContact O-N 2.93Å; H173-E175 VanDerWaalsContact C-N 3.31Å; H173-E175 PolarHBondContact O-N 3.21Å; E175-E178 PolarHBondContact O-N 3.35Å; E175-R179 WeakPolarHBondContact O-CB 3.49Å; E175-R179 WeakPolarHBondContact O-CG 3.48Å; E175-R179 PolarHBondContact O-N 3.45Å; E175-R179 IonicContact OE1-CZ 2.68Å; E175-R179 IonicContact OE1-NH1 3.67Å; E175-R179 PolarHBondContact OE1-NH1 3.47Å; E175-R179 IonicContact OE1-NH2 2.8Å; E175-R179 PolarHBondContact OE1-NH2 3.13Å
176N66.3Low63.3Low76 Ų76101 Ų10141%0.40650%0.495SS..Hα-helixtrans-66.1-42.3174.8-76.1-20.6000111.6I172 H173 R179 L180I172-N176 WeakPolarHBondContact O-CB 3.3Å; I172-N176 VanDerWaalsContact O-CG 3.23Å; I172-N176 PolarHBondContact O-N 3.41Å; I172-N176 PolarHBondContact O-ND2 3.16Å; H173-N176 PolarHBondContact O-N 3.03Å; N176-R179 PolarHBondContact O-N 3.29Å; N176-L180 WeakPolarHBondContact O-CB 3.36Å; N176-L180 VanDerWaalsContact O-CG 3.27Å; N176-L180 WeakPolarHBondContact O-CG 3.33Å; N176-L180 PolarHBondContact O-N 3.22Å
177L71.6Confident64.8Low86 Ų86104.5 Ų104.545%0.4551%0.508SS..Hα-helixtrans-64.2-42.5174.6-71.8176.8000111.6H173 Q174 L180 S181H173-L177 WeakPolarHBondContact O-CG 3.26Å; H173-L177 PolarHBondContact O-N 3.18Å; Q174-L177 PolarHBondContact O-N 2.96Å; L177-L180 PolarHBondContact O-N 3.32Å; L177-S181 WeakPolarHBondContact O-CB 3.37Å; L177-S181 PolarHBondContact O-N 2.96Å
178E72.8Confident65.6Low99 Ų99102.9 Ų102.946%0.46350%0.499SS..Hα-helixtrans-64.3-45.6176.3-77.7177.9-172.500111.3Q174 E175 L180 S181 Q182Q174-E178 WeakPolarHBondContact O-CB 3.31Å; Q174-E178 VanDerWaalsContact O-CG 3.31Å; Q174-E178 WeakPolarHBondContact O-CG 3.22Å; Q174-E178 PolarHBondContact O-N 3.36Å; E175-E178 PolarHBondContact O-N 3.35Å; E178-L180 VanDerWaalsContact C-N 3.33Å; E178-L180 PolarHBondContact O-N 2.93Å; E178-S181 WeakPolarHBondContact CA-OG 3.41Å; E178-S181 PolarHBondContact O-N 3.42Å; E178-S181 VanDerWaalsContact O-N 3.12Å; E178-S181 PolarHBondContact O-OG 3.3Å; E178-Q182 WeakPolarHBondContact O-CB 3.44Å; E178-Q182 VanDerWaalsContact O-CG 3.32Å; E178-Q182 WeakPolarHBondContact O-CG 3.42Å; E178-Q182 PolarHBondContact O-N 2.92Å
179R69.3Low66.3Low139 Ų139103.9 Ų103.953%0.52551%0.506SS..Hα-helixtrans-58.5-44.8173.9-84.5-166.8179.5105.312111.9E175 N176 S181 Q182 L183E175-R179 WeakPolarHBondContact O-CB 3.49Å; E175-R179 WeakPolarHBondContact O-CG 3.48Å; E175-R179 PolarHBondContact O-N 3.45Å; E175-R179 IonicContact OE1-CZ 2.68Å; E175-R179 IonicContact OE1-NH1 3.67Å; E175-R179 PolarHBondContact OE1-NH1 3.47Å; E175-R179 IonicContact OE1-NH2 2.8Å; E175-R179 PolarHBondContact OE1-NH2 3.13Å; N176-R179 PolarHBondContact O-N 3.29Å; R179-S181 VanDerWaalsContact C-N 3.28Å; R179-S181 PolarHBondContact O-N 3.1Å; R179-Q182 PolarHBondContact O-N 2.89Å; R179-L183 WeakPolarHBondContact O-CG 3.42Å; R179-L183 PolarHBondContact O-N 3.15Å
180L65.2Low67.5Low110 Ų110107 Ų10758%0.57652%0.516SS*.Hα-helixtrans-63.9-33.9176.8-75.4167.9000112.2N176 L177 E178 L183N176-L180 WeakPolarHBondContact O-CB 3.36Å; N176-L180 VanDerWaalsContact O-CG 3.27Å; N176-L180 WeakPolarHBondContact O-CG 3.33Å; N176-L180 PolarHBondContact O-N 3.22Å; L177-L180 PolarHBondContact O-N 3.32Å; E178-L180 VanDerWaalsContact C-N 3.33Å; E178-L180 PolarHBondContact O-N 2.93Å; L180-L183 HydrophobicContact CD2-CD1 4.24Å
181S73.7Confident68.3Low94 Ų94104.7 Ų104.766%0.65751%0.506SS*.Hα-helixtrans-75.5-27.9176.376.40000113.9L177 E178 R179L177-S181 WeakPolarHBondContact O-CB 3.37Å; L177-S181 PolarHBondContact O-N 2.96Å; E178-S181 WeakPolarHBondContact CA-OG 3.41Å; E178-S181 PolarHBondContact O-N 3.42Å; E178-S181 VanDerWaalsContact O-N 3.12Å; E178-S181 PolarHBondContact O-OG 3.3Å; R179-S181 VanDerWaalsContact C-N 3.28Å; R179-S181 PolarHBondContact O-N 3.1Å
182Q69.7Low68.2Low145 Ų145106 Ų10668%0.67851%0.51SS*.Hα-helixtrans-85.6-21.3179.3-72.4176.916.400113E178 R179 T184E178-Q182 WeakPolarHBondContact O-CB 3.44Å; E178-Q182 VanDerWaalsContact O-CG 3.32Å; E178-Q182 WeakPolarHBondContact O-CG 3.42Å; E178-Q182 PolarHBondContact O-N 2.92Å; R179-Q182 PolarHBondContact O-N 2.89Å; Q182-T184 PolarHBondContact O-N 3.15Å
183L66.4Low68.6Low63 Ų63108.9 Ų108.933%0.3352%0.522SS..SBendtrans-59.2124.5175.1-90.1160.9000109.7R179 L180 E187 I188R179-L183 WeakPolarHBondContact O-CG 3.42Å; R179-L183 PolarHBondContact O-N 3.15Å; L180-L183 HydrophobicContact CD2-CD1 4.24Å; L183-E187 HydrophobicContact CD2-CB 3.63Å; L183-E187 HydrophobicContact CD2-CG 4.3Å; L183-I188 HydrophobicContact CB-CD1 4.26Å; L183-I188 HydrophobicContact CB-CG1 3.9Å
184T73.5Confident69.1Low76 Ų76108.9 Ų108.947%0.46652%0.521SS..  trans-66.1149.1-179.856.20000110.3Q182 K186 E187 I188Q182-T184 PolarHBondContact O-N 3.15Å; T184-K186 PolarHBondContact O-N 3.24Å; T184-E187 PolarHBondContact N-OE2 3.37Å; T184-E187 PolarHBondContact O-N 3Å; T184-E187 PolarHBondContact OG1-N 3.05Å; T184-E187 PolarHBondContact OG1-OE2 3.4Å; T184-I188 WeakPolarHBondContact O-CG1 3.22Å; T184-I188 PolarHBondContact O-N 3.08Å
185E66Low68.8Low162 Ų162109.1 Ų109.176%0.75753%0.525SS*.Hα-helixtrans-54.1-28.2178.2-162.9177-165.600112.2L189E185-L189 WeakPolarHBondContact O-CB 3.22Å; E185-L189 VanDerWaalsContact O-CG 3.25Å; E185-L189 WeakPolarHBondContact O-CG 3.39Å; E185-L189 PolarHBondContact O-N 3.42Å
186K72.3Confident68.3Low165 Ų165109.8 Ų109.872%0.71753%0.529SS*.Hα-helixtrans-69.9-46.5172.3-72.3-173.9176.8-178.30113.8T184 I188 L189 E190T184-K186 PolarHBondContact O-N 3.24Å; K186-I188 VanDerWaalsContact C-N 3.3Å; K186-I188 PolarHBondContact O-N 3.12Å; K186-L189 WeakPolarHBondContact O-CB 3.47Å; K186-L189 PolarHBondContact O-N 3.29Å; K186-L189 VanDerWaalsContact O-N 3.13Å; K186-E190 PolarHBondContact O-N 2.85Å
187E71.8Confident68.5Low92 Ų92110.4 Ų110.443%0.4354%0.54SS..Hα-helixtrans-64.8-37.7175.5-78.9169.5134.300111.4L183 T184 L189 E190 E191L183-E187 HydrophobicContact CD2-CB 3.63Å; L183-E187 HydrophobicContact CD2-CG 4.3Å; T184-E187 PolarHBondContact N-OE2 3.37Å; T184-E187 PolarHBondContact O-N 3Å; T184-E187 PolarHBondContact OG1-N 3.05Å; T184-E187 PolarHBondContact OG1-OE2 3.4Å; E187-L189 VanDerWaalsContact C-N 3.27Å; E187-L189 PolarHBondContact O-N 2.98Å; E187-E190 PolarHBondContact O-N 3.32Å; E187-E191 WeakPolarHBondContact O-CB 3.48Å; E187-E191 PolarHBondContact O-N 3.2Å
188I64.6Low68Low81 Ų81114.9 Ų114.942%0.41556%0.556SS.*Hα-helixtrans-60.7-41.2172.5-62.3173.2000109.7L183 T184 K186 R192L183-I188 HydrophobicContact CB-CD1 4.26Å; L183-I188 HydrophobicContact CB-CG1 3.9Å; T184-I188 WeakPolarHBondContact O-CG1 3.22Å; T184-I188 PolarHBondContact O-N 3.08Å; K186-I188 VanDerWaalsContact C-N 3.3Å; K186-I188 PolarHBondContact O-N 3.12Å; I188-R192 WeakPolarHBondContact O-CB 3.37Å; I188-R192 PolarHBondContact O-N 3.16Å
189L65.8Low67.1Low96 Ų96111.7 Ų111.750%0.50355%0.547SS..Hα-helixtrans-66.3-41.1175.6-78.8167.1000112.9E185 K186 E187 R192 E193E185-L189 WeakPolarHBondContact O-CB 3.22Å; E185-L189 VanDerWaalsContact O-CG 3.25Å; E185-L189 WeakPolarHBondContact O-CG 3.39Å; E185-L189 PolarHBondContact O-N 3.42Å; K186-L189 WeakPolarHBondContact O-CB 3.47Å; K186-L189 PolarHBondContact O-N 3.29Å; K186-L189 VanDerWaalsContact O-N 3.13Å; E187-L189 VanDerWaalsContact C-N 3.27Å; E187-L189 PolarHBondContact O-N 2.98Å; L189-R192 CarbonylContact O-C 3.58Å; L189-R192 PolarHBondContact O-N 3.01Å; L189-E193 WeakPolarHBondContact O-CB 3.47Å; L189-E193 PolarHBondContact O-N 2.86Å
190E73.3Confident66.8Low128 Ų128110 Ų11060%0.59855%0.548SS*.Hα-helixtrans-67.5-44.4177.8-75.8-177.5-176.400112.3K186 E187 R192 E193 K194K186-E190 PolarHBondContact O-N 2.85Å; E187-E190 PolarHBondContact O-N 3.32Å; E190-R192 VanDerWaalsContact C-N 3.32Å; E190-E193 PolarHBondContact O-N 3.44Å; E190-K194 PolarHBondContact O-N 2.77Å
191E70.6Confident66.8Low91 Ų91109.2 Ų109.243%0.42555%0.549SS..Hα-helixtrans-67.6-36174-80.9-59.814400110.9E187 E193 K194 I195E187-E191 WeakPolarHBondContact O-CB 3.48Å; E187-E191 PolarHBondContact O-N 3.2Å; E191-E193 VanDerWaalsContact C-N 3.35Å; E191-E193 PolarHBondContact O-N 3.22Å; E191-K194 PolarHBondContact O-N 3.12Å; E191-K194 WeakPolarHBondContact OE1-CD 3Å; E191-K194 IonicContact OE1-NZ 2.79Å; E191-K194 PolarHBondContact OE1-NZ 3.14Å; E191-I195 WeakPolarHBondContact O-CB 3.01Å; E191-I195 WeakPolarHBondContact O-CD1 3.42Å; E191-I195 WeakPolarHBondContact O-CG1 3.25Å; E191-I195 PolarHBondContact O-N 3.28Å
192R61Low66.3Low163 Ų163110.6 Ų110.662%0.61555%0.549SS*.Hα-helixtrans-63.3-41.9171.6-163.4178.1-165.6175.25.5110.8I188 L189 E190 I195 L196I188-R192 WeakPolarHBondContact O-CB 3.37Å; I188-R192 PolarHBondContact O-N 3.16Å; L189-R192 CarbonylContact O-C 3.58Å; L189-R192 PolarHBondContact O-N 3.01Å; E190-R192 VanDerWaalsContact C-N 3.32Å; R192-I195 PolarHBondContact O-N 2.78Å; R192-L196 HydrophobicContact CG-CD1 4.19Å; R192-L196 HydrophobicContact CG-CG 4.49Å; R192-L196 VanDerWaalsContact O-CB 3.27Å; R192-L196 WeakPolarHBondContact O-CB 2.91Å; R192-L196 WeakPolarHBondContact O-CD1 3.49Å; R192-L196 WeakPolarHBondContact O-CG 3.38Å; R192-L196 PolarHBondContact O-N 3.23Å
193E66.7Low65.8Low139 Ų139107.4 Ų107.465%0.6554%0.54SS*.Hα-helixtrans-64.4-40.1174-84.1-161.7163.700112.6L189 E190 E191 L196 S197L189-E193 WeakPolarHBondContact O-CB 3.47Å; L189-E193 PolarHBondContact O-N 2.86Å; E190-E193 PolarHBondContact O-N 3.44Å; E191-E193 VanDerWaalsContact C-N 3.35Å; E191-E193 PolarHBondContact O-N 3.22Å; E193-L196 CarbonylContact O-C 3.56Å; E193-L196 WeakPolarHBondContact O-CB 3.26Å; E193-L196 PolarHBondContact O-N 2.88Å; E193-S197 WeakPolarHBondContact O-CB 3.38Å; E193-S197 PolarHBondContact O-N 2.97Å
194K72.2Confident65.3Low113 Ų113105.8 Ų105.849%0.49153%0.531SS..Hα-helixtrans-60.7-47.5172.1-83.4178.4-174.1167.40111.5E190 E191 L196 S197 F198E190-K194 PolarHBondContact O-N 2.77Å; E191-K194 PolarHBondContact O-N 3.12Å; E191-K194 WeakPolarHBondContact OE1-CD 3Å; E191-K194 IonicContact OE1-NZ 2.79Å; E191-K194 PolarHBondContact OE1-NZ 3.14Å; K194-L196 VanDerWaalsContact C-N 3.29Å; K194-L196 PolarHBondContact O-N 2.85Å; K194-S197 PolarHBondContact O-N 3.01Å; K194-S197 VanDerWaalsContact O-N 3.11Å; K194-S197 PolarHBondContact O-OG 3.38Å; K194-F198 PolarHBondContact O-N 2.99Å; K194-F198 VanDerWaalsContact O-N 3.1Å
195I60.9Low64.6Low114 Ų114105.1 Ų105.159%0.58553%0.53SS*.Hα-helixtrans-62-41.5177.1-66.9163.5000109.9E191 R192 S197 F198 A199E191-I195 WeakPolarHBondContact O-CB 3.01Å; E191-I195 WeakPolarHBondContact O-CD1 3.42Å; E191-I195 WeakPolarHBondContact O-CG1 3.25Å; E191-I195 PolarHBondContact O-N 3.28Å; R192-I195 PolarHBondContact O-N 2.78Å; I195-S197 VanDerWaalsContact C-N 3.31Å; I195-S197 PolarHBondContact O-N 2.64Å; I195-F198 PolarHBondContact O-N 2.94Å; I195-A199 VanDerWaalsContact O-CB 3.25Å; I195-A199 WeakPolarHBondContact O-CB 3.13Å; I195-A199 PolarHBondContact O-N 3.23Å
196L60.9Low64.4Low73 Ų73103.6 Ų103.638%0.38252%0.521SS..Hα-helixtrans-62.4-36.5174.5-71.8166.6000112R192 E193 K194 F198 A199 L204R192-L196 HydrophobicContact CG-CD1 4.19Å; R192-L196 HydrophobicContact CG-CG 4.49Å; R192-L196 VanDerWaalsContact O-CB 3.27Å; R192-L196 WeakPolarHBondContact O-CB 2.91Å; R192-L196 WeakPolarHBondContact O-CD1 3.49Å; R192-L196 WeakPolarHBondContact O-CG 3.38Å; R192-L196 PolarHBondContact O-N 3.23Å; E193-L196 CarbonylContact O-C 3.56Å; E193-L196 WeakPolarHBondContact O-CB 3.26Å; E193-L196 PolarHBondContact O-N 2.88Å; K194-L196 VanDerWaalsContact C-N 3.29Å; K194-L196 PolarHBondContact O-N 2.85Å; L196-F198 VanDerWaalsContact C-N 3.31Å; L196-F198 PolarHBondContact O-N 3.47Å; L196-A199 PolarHBondContact O-N 3.48Å; L196-L204 HydrophobicContact CD2-CD1 3.98Å; L196-L204 HydrophobicContact CD2-CD2 3.1Å; L196-L204 HydrophobicContact CD2-CG 4.02Å; L196-L204 WeakPolarHBondContact O-CD1 3.46Å
197S69.5Low63.5Low89 Ų89100.7 Ų100.762%0.62251%0.513SS*.Hα-helixtrans-70.9-27.2178.777.50000113.1E193 K194 I195E193-S197 WeakPolarHBondContact O-CB 3.38Å; E193-S197 PolarHBondContact O-N 2.97Å; K194-S197 PolarHBondContact O-N 3.01Å; K194-S197 VanDerWaalsContact O-N 3.11Å; K194-S197 PolarHBondContact O-OG 3.38Å; I195-S197 VanDerWaalsContact C-N 3.31Å; I195-S197 PolarHBondContact O-N 2.64Å
198F62.3Low63.1Low181 Ų181100.2 Ų100.279%0.79451%0.512SS*.Hα-helixtrans-95.1-15177.2-89.8-83.5000113.5K194 I195 L196K194-F198 PolarHBondContact O-N 2.99Å; K194-F198 VanDerWaalsContact O-N 3.1Å; I195-F198 PolarHBondContact O-N 2.94Å; L196-F198 VanDerWaalsContact C-N 3.31Å; L196-F198 PolarHBondContact O-N 3.47Å
199A54.4Low62.9Low32 Ų32102.1 Ų102.126%0.26452%0.519SS..SBendtrans-78.3134.5-179.800000111.3I195 L196 L204I195-A199 VanDerWaalsContact O-CB 3.25Å; I195-A199 WeakPolarHBondContact O-CB 3.13Å; I195-A199 PolarHBondContact O-N 3.23Å; L196-A199 PolarHBondContact O-N 3.48Å; A199-L204 HydrophobicContact CB-CD1 3.78Å; A199-L204 HydrophobicContact CB-CG 3.93Å
200D61.6Low62.2Low102 Ų102104.2 Ų104.255%0.54552%0.524SS..  trans-58.8128.7176.1-155.2-22.4000110.1N202 V203 L204D200-N202 PolarHBondContact O-N 3.42Å; D200-V203 HydrophobicContact CB-CB 4.43Å; D200-V203 HydrophobicContact CB-CG2 4.1Å; D200-V203 PolarHBondContact O-N 2.96Å; D200-L204 PolarHBondContact O-N 3.04Å
201P64.8Low61.1Low94 Ų94100.4 Ų100.461%0.6152%0.519SS*.Hα-helixtrans-51.6-29.5-176.7-30.234.2000114.5L204 S205P201-L204 WeakPolarHBondContact O-CB 3.31Å; P201-S205 WeakPolarHBondContact O-CB 3.14Å; P201-S205 PolarHBondContact O-N 3.23Å; P201-S205 PolarHBondContact O-OG 3.15Å
202N64.9Low60Low123 Ų123104.4 Ų104.466%0.65853%0.531SS*.Hα-helixtrans-74-37.7177.2-74-16.9000113.2D200 L204 S205 F206D200-N202 PolarHBondContact O-N 3.42Å; N202-L204 VanDerWaalsContact C-N 3.29Å; N202-S205 WeakPolarHBondContact CA-OG 3.31Å; N202-S205 PolarHBondContact O-OG 3.11Å; N202-F206 WeakPolarHBondContact O-CB 3.4Å; N202-F206 PolarHBondContact O-N 2.85Å; N202-F206 VanDerWaalsContact O-N 3.07Å
203V58.5Low59Low79 Ų79102.2 Ų102.248%0.47953%0.531SS..Hα-helixtrans-68.9-38.1172.9177.40000109.3D200 F206 L207D200-V203 HydrophobicContact CB-CB 4.43Å; D200-V203 HydrophobicContact CB-CG2 4.1Å; D200-V203 PolarHBondContact O-N 2.96Å; V203-F206 PolarHBondContact O-N 3.1Å; V203-L207 HydrophobicContact CG1-CD1 3.99Å; V203-L207 HydrophobicContact CG1-CG 4.38Å; V203-L207 WeakPolarHBondContact O-CB 3.41Å; V203-L207 WeakPolarHBondContact O-CG 3.44Å; V203-L207 PolarHBondContact O-N 2.86Å
204L56.7Low57.6Low29 Ų29103.3 Ų103.315%0.15254%0.538CS..Hα-helixtrans-63.6-47.1175.5-105.4167.4000113L196 A199 D200 P201 N202 F206 L207 I208L196-L204 HydrophobicContact CD2-CD1 3.98Å; L196-L204 HydrophobicContact CD2-CD2 3.1Å; L196-L204 HydrophobicContact CD2-CG 4.02Å; L196-L204 WeakPolarHBondContact O-CD1 3.46Å; A199-L204 HydrophobicContact CB-CD1 3.78Å; A199-L204 HydrophobicContact CB-CG 3.93Å; D200-L204 PolarHBondContact O-N 3.04Å; P201-L204 WeakPolarHBondContact O-CB 3.31Å; N202-L204 VanDerWaalsContact C-N 3.29Å; L204-F206 VanDerWaalsContact C-N 3.28Å; L204-F206 PolarHBondContact O-N 3.19Å; L204-L207 PolarHBondContact O-N 2.86Å; L204-I208 HydrophobicContact CD2-CD1 3.86Å; L204-I208 HydrophobicContact CD2-CG1 4.26Å; L204-I208 VanDerWaalsContact O-CB 3.28Å; L204-I208 WeakPolarHBondContact O-CB 3.46Å; L204-I208 WeakPolarHBondContact O-CD1 3.29Å; L204-I208 WeakPolarHBondContact O-CG1 2.99Å; L204-I208 PolarHBondContact O-N 2.96Å
205S57.4Low56Low61 Ų61106.7 Ų106.743%0.42755%0.553SS.*Hα-helixtrans-62.2-38.6176.166.60000110.9P201 N202 Q209P201-S205 WeakPolarHBondContact O-CB 3.14Å; P201-S205 PolarHBondContact O-N 3.23Å; P201-S205 PolarHBondContact O-OG 3.15Å; N202-S205 WeakPolarHBondContact CA-OG 3.31Å; N202-S205 PolarHBondContact O-OG 3.11Å; S205-Q209 WeakPolarHBondContact O-CB 3.23Å; S205-Q209 PolarHBondContact O-N 2.66Å
206F62.6Low54.7Low131 Ų131107.2 Ų107.258%0.57556%0.557SS**Hα-helixtrans-64.3-47.1174-174.9-95.6000113N202 V203 L204 Q209 K210N202-F206 WeakPolarHBondContact O-CB 3.4Å; N202-F206 PolarHBondContact O-N 2.85Å; N202-F206 VanDerWaalsContact O-N 3.07Å; V203-F206 PolarHBondContact O-N 3.1Å; L204-F206 VanDerWaalsContact C-N 3.28Å; L204-F206 PolarHBondContact O-N 3.19Å; F206-Q209 PolarHBondContact O-N 3.23Å; F206-K210 WeakPolarHBondContact O-CB 3.37Å; F206-K210 PolarHBondContact O-N 2.8Å
207L53Low53.2Low104 Ų104107.9 Ų107.955%0.54557%0.573SS.*Hα-helixtrans-67.3-40.3178.8-73.2173000112V203 L204 Q209 K210 G211V203-L207 HydrophobicContact CG1-CD1 3.99Å; V203-L207 HydrophobicContact CG1-CG 4.38Å; V203-L207 WeakPolarHBondContact O-CB 3.41Å; V203-L207 WeakPolarHBondContact O-CG 3.44Å; V203-L207 PolarHBondContact O-N 2.86Å; L204-L207 PolarHBondContact O-N 2.86Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; L207-K210 PolarHBondContact O-N 2.82Å; L207-G211 PolarHBondContact O-N 2.98Å
208I63.8Low51.1Low82 Ų82110.8 Ų110.842%0.42158%0.582SS.*Hα-helixtrans-66.6-39.3174.5-67.5167.2000110L204 G211 R212L204-I208 HydrophobicContact CD2-CD1 3.86Å; L204-I208 HydrophobicContact CD2-CG1 4.26Å; L204-I208 VanDerWaalsContact O-CB 3.28Å; L204-I208 WeakPolarHBondContact O-CB 3.46Å; L204-I208 WeakPolarHBondContact O-CD1 3.29Å; L204-I208 WeakPolarHBondContact O-CG1 2.99Å; L204-I208 PolarHBondContact O-N 2.96Å; I208-G211 PolarHBondContact O-N 3.49Å; I208-R212 HydrophobicContact CG2-CG 4.37Å; I208-R212 WeakPolarHBondContact O-CB 3.35Å; I208-R212 WeakPolarHBondContact O-CG 3.44Å; I208-R212 PolarHBondContact O-N 3.15Å
209Q60.2Low49.5Very low120 Ų120109.2 Ų109.256%0.56159%0.587SS**Hα-helixtrans-65.5-42.3176.2-174.1160.323.500111.2S205 F206 L207 R212 N213S205-Q209 WeakPolarHBondContact O-CB 3.23Å; S205-Q209 PolarHBondContact O-N 2.66Å; F206-Q209 PolarHBondContact O-N 3.23Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; Q209-R212 PolarHBondContact O-N 2.91Å; Q209-N213 WeakPolarHBondContact O-CB 3.47Å; Q209-N213 VanDerWaalsContact O-CG 3.22Å; Q209-N213 PolarHBondContact O-N 3.03Å; Q209-N213 PolarHBondContact O-OD1 3.24Å
210K49.9Very low48Very low141 Ų141113.5 Ų113.561%0.61361%0.609SS**Hα-helixtrans-63.2-42173.3-168171.9-178.5176.60111.7F206 L207F206-K210 WeakPolarHBondContact O-CB 3.37Å; F206-K210 PolarHBondContact O-N 2.8Å; L207-K210 PolarHBondContact O-N 2.82Å
211G50.2Low46.2Very low48 Ų48117.6 Ų117.650%0.49562%0.622SS.*Hα-helixtrans-66.9-36.4176.700000114L207 I208L207-G211 PolarHBondContact O-N 2.98Å; I208-G211 PolarHBondContact O-N 3.49Å
212R47.8Very low44.3Very low175 Ų175119.7 Ų119.766%0.6663%0.634SS**Hα-helixtrans-76.5-34.4176.9-77.9-178.2173.2169.2-0.7112.8I208 Q209 M214 K215 N216I208-R212 HydrophobicContact CG2-CG 4.37Å; I208-R212 WeakPolarHBondContact O-CB 3.35Å; I208-R212 WeakPolarHBondContact O-CG 3.44Å; I208-R212 PolarHBondContact O-N 3.15Å; Q209-R212 PolarHBondContact O-N 2.91Å; R212-M214 PolarHBondContact O-N 3.22Å; R212-M214 VanDerWaalsContact O-N 3.17Å; R212-K215 PolarHBondContact O-N 3.06Å; R212-N216 PolarHBondContact O-N 3.21Å
213N39.8Very low42.1Very low116 Ų116123.9 Ų123.962%0.6264%0.64SS**Hα-helixtrans-63.1-19.8176.1-77.5-2.6000113Q209Q209-N213 WeakPolarHBondContact O-CB 3.47Å; Q209-N213 VanDerWaalsContact O-CG 3.22Å; Q209-N213 PolarHBondContact O-N 3.03Å; Q209-N213 PolarHBondContact O-OD1 3.24Å
214M37.9Very low40.3Very low163 Ų163126.4 Ų126.480%0.80366%0.66SS**THydrogen-bonded Turntrans-80.6-16.7173.2-73.2-124.679.400114.6R212R212-M214 PolarHBondContact O-N 3.22Å; R212-M214 VanDerWaalsContact O-N 3.17Å
215K39.1Very low38.7Very low183 Ų183132.4 Ų132.480%0.79669%0.687SS**THydrogen-bonded Turntrans-111.6-15.9-176-73.7-168.4175.5-176.20115.7R212R212-K215 PolarHBondContact O-N 3.06Å
216N32.9Very low37Very low126 Ų126137.4 Ų137.467%0.67471%0.708SS**  trans-121.236.3-173.8-67.1-0.6000113.9R212 D218R212-N216 PolarHBondContact O-N 3.21Å; N216-D218 PolarHBondContact O-N 2.96Å
217A29.5Very low35.2Very low87 Ų87140.4 Ų140.472%0.71972%0.723SS**  trans-71.872.3160.800000109.2
218D26.6Very low33.7Very low150 Ų150144 Ų14480%0.80274%0.737SS**SBendtrans-178.773.4159.5-91.6-17.9000109.1N216N216-D218 PolarHBondContact O-N 2.96Å
219T28.2Very low31.8Very low147 Ų147148.5 Ų148.590%0.90276%0.761SS**  trans168.8146.6141.531.90000111.9
220V23Very low29.9Very low122 Ų122148 Ų14874%0.73977%0.771SS**  trans-101.5154.1-156.1160.90000112.9
221K23.1Very low28.9Very low188 Ų188146.1 Ų146.182%0.81778%0.776SS**  trans77.4121.9163.6-75.7156.3-171-177.20117.8
222T25.4Very low27.6Very low139 Ų139153.4 Ų153.485%0.85379%0.794SS**  174.4138.289.5-50.20000110.8
223R19.3Very low26.7Very low210 Ų210151.1 Ų151.179%0.79280%0.802SS**  trans-54141.2176.5179.6178.2178.9156.10.8114.1E225R223-E225 IonicContact NE-OE1 3.69Å
224C20.3Very low26.1Very low133 Ų133152 Ų15290%0.89981%0.811SS**  trans-133.4131.4163.7-133.90000109.7
225E23.4Very low25.4Very low154 Ų154152 Ų15272%0.7282%0.815SS**  trans-90145.1-166.2-68.2171.3159.100111.8R223R223-E225 IonicContact NE-OE1 3.69Å
226I21.3Very low25.1Very low167 Ų167148.1 Ų148.186%0.85681%0.811SS**  trans-76.5121.1-180-63.7162.2000107.9
227Q25.4Very low25Very low193 Ų193149.6 Ų149.690%0.90282%0.818SS**  trans-107.7112172.3-138.1170.124.100109.1
228E21Very low24.9Very low179 Ų179153.6 Ų153.684%0.83683%0.826SS**  trans-59.2128.8175-64.6172.6141.200110.9
229L22.7Very low25.3Very low177 Ų177151.8 Ų151.893%0.92783%0.825SS**  trans-118.196.6159-135.587.5000109.2
230S21.1Very low25.8Very low109 Ų109150.5 Ų150.576%0.76282%0.822SS**  trans-77.6120.2169150.20000109.9
231S29.5Very low26.6Very low103 Ų103148.8 Ų148.872%0.7282%0.815SS**  trans-147.8113.2151.456.70000110.6
232K23.3Very low27.8Very low201 Ų201146.1 Ų146.187%0.87482%0.818SS**PPolyproline II helixtrans-71.6130.2171.6-68.8174.1175.5176.90109.3
233P28.8Very low28.9Very low126 Ų126144.4 Ų144.482%0.81880%0.803SS**PPolyproline II helixtrans-97.3133.7162.128.7-16000110.4
234T26.5Very low30.6Very low135 Ų135139.1 Ų139.183%0.82880%0.798SS**PPolyproline II helixtrans-71.7147.4-175.6-42.90000111.9
235N23.6Very low32Very low163 Ų163136.3 Ų136.387%0.87278%0.778SS**  trans-43.2126.9171.9-71.3-26.9000114.8
236S32.9Very low33.3Very low102 Ų102132.4 Ų132.471%0.71376%0.762SS**  trans-162.9116.3145.857.20000110.6
237D30.1Very low34.9Very low156 Ų156129.4 Ų129.483%0.83475%0.754SS**  trans46.997.5143.7-56.7-23.3000120.4S239D237-S239 PolarHBondContact O-N 3.42Å
238I27.1Very low36.6Very low171 Ų171129.1 Ų129.188%0.87775%0.749SS**  trans-0.9101.7134.5-52.1165.5000114.9
239S34.7Very low37.9Very low113 Ų113124.5 Ų124.579%0.7973%0.729SS**  trans163.374.313263.60000112.3D237D237-S239 PolarHBondContact O-N 3.42Å
240S40.2Very low38.8Very low119 Ų119123.1 Ų123.183%0.83272%0.722SS**  trans-156.7124.7162.448.90000111.1
241S39.8Very low40.1Very low86 Ų86125.2 Ų125.260%0.60172%0.72SS**  trans-60.2153.2174.3-81.60000111.7L243S241-L243 VanDerWaalsContact C-N 3.3Å; S241-L243 PolarHBondContact O-N 2.84Å
242P46.8Very low41Very low133 Ų133123.7 Ų123.786%0.86470%0.702SS**SBendtrans-79.3-6-171.51.813.9000114.9
243L48.5Very low42.6Very low103 Ų103119 Ų11954%0.53969%0.687SS.*  trans-123.1116.1-178.8-80.6146000109.5S241 L255 L260S241-L243 VanDerWaalsContact C-N 3.3Å; S241-L243 PolarHBondContact O-N 2.84Å; L243-L255 WeakPolarHBondContact O-CD1 3.19Å; L243-L260 HydrophobicContact CD1-CD2 4.21Å
244S55.1Low43.7Very low99 Ų99118.2 Ų118.269%0.69268%0.679SS**  trans-85.7142.6168.1550000110.1D246S244-D246 PolarHBondContact O-N 3.31Å
245P49.5Very low44.9Very low74 Ų74114 Ų11448%0.48165%0.651SS.*  trans-59.7124.6175.723.8-31.6000109.9L255P245-L255 HydrophobicContact CB-CD1 4.23Å; P245-L255 HydrophobicContact CB-CG 4.15Å
246D51.4Low46.7Very low72 Ų72111.2 Ų111.239%0.38563%0.633SS.*  trans-113.8102.6176-164-9.4000109.6S244 K248 I249 M252S244-D246 PolarHBondContact O-N 3.31Å; D246-K248 PolarHBondContact O-N 2.87Å; D246-K248 PolarHBondContact OD1-N 3.34Å; D246-I249 HydrophobicContact CB-CD1 4.45Å; D246-I249 PolarHBondContact O-N 3.47Å; D246-M252 PolarHBondContact N-O 3.36Å
247P55.9Low47.9Very low104 Ų104111 Ų11168%0.67563%0.627SS**THydrogen-bonded Turntrans-67.3-7.1-177.327.4-34.2000113.5I249P247-I249 PolarHBondContact O-N 3.5Å
248K59.6Low48.9Very low186 Ų186109.8 Ų109.881%0.80962%0.62SS**THydrogen-bonded Turntrans-70.8-19.9170.6-77.8178.8177.71750113D246D246-K248 PolarHBondContact O-N 2.87Å; D246-K248 PolarHBondContact OD1-N 3.34Å
249I49.6Very low50Low82 Ų82107.5 Ų107.542%0.42160%0.604SS.*SBendtrans-96.8115.2175.7-54.3171.8000107.1D246 P247 H251 M252D246-I249 HydrophobicContact CB-CD1 4.45Å; D246-I249 PolarHBondContact O-N 3.47Å; P247-I249 PolarHBondContact O-N 3.5Å; I249-H251 PolarHBondContact O-N 2.68Å; I249-M252 HydrophobicContact CB-CB 3.75Å; I249-M252 HydrophobicContact CB-CE 4.29Å; I249-M252 HydrophobicContact CB-CG 4.5Å; I249-M252 HydrophobicContact CD1-CE 4.1Å; I249-M252 HydrophobicContact CG2-CB 4.04Å; I249-M252 HydrophobicContact CG2-CE 3.7Å; I249-M252 WeakPolarHBondContact O-CB 3.49Å; I249-M252 PolarHBondContact O-N 2.9Å
250L41.3Very low50.7Low148 Ų148104.2 Ų104.278%0.77558%0.578SS**THydrogen-bonded Turntrans-53.6122.8179.6-165.378.5000109.6
251H48.4Very low51.1Low154 Ų154104.3 Ų104.371%0.71357%0.565SS**THydrogen-bonded Turntrans75.215.3-176.5-49.2-60.3000116.8I249 D253I249-H251 PolarHBondContact O-N 2.68Å; H251-D253 WeakPolarHBondContact CA-OD1 3.21Å; H251-D253 PolarHBondContact N-OD1 3.49Å
252M48.9Very low51.5Low71 Ų71109.9 Ų109.935%0.3557%0.573SS.*  trans-105.516.1171.6-154.584.967.700112.8D246 I249 L255D246-M252 PolarHBondContact N-O 3.36Å; I249-M252 HydrophobicContact CB-CB 3.75Å; I249-M252 HydrophobicContact CB-CE 4.29Å; I249-M252 HydrophobicContact CB-CG 4.5Å; I249-M252 HydrophobicContact CD1-CE 4.1Å; I249-M252 HydrophobicContact CG2-CB 4.04Å; I249-M252 HydrophobicContact CG2-CE 3.7Å; I249-M252 WeakPolarHBondContact O-CB 3.49Å; I249-M252 PolarHBondContact O-N 2.9Å; M252-L255 HydrophobicContact CG-CD2 4.06Å; M252-L255 HydrophobicContact SD-CD2 4.01Å
253D56.1Low51.4Low103 Ų103107.1 Ų107.155%0.55155%0.554SS**SBendtrans-79-27.2176.242.9-43000112.4H251H251-D253 WeakPolarHBondContact CA-OD1 3.21Å; H251-D253 PolarHBondContact N-OD1 3.49Å
254V51.6Low51.3Low109 Ų109110.7 Ų110.766%0.66156%0.56SS**SBendtrans-123.7102.9173.9-176.50000108.8E256V254-E256 PolarHBondContact O-N 3.24Å
255L50.8Low50.8Low46 Ų46112 Ų11224%0.24156%0.56CS.*  trans-73110.9173.9-68.4179.7000109.7L243 P245 M252 V257 L260L243-L255 WeakPolarHBondContact O-CD1 3.19Å; P245-L255 HydrophobicContact CB-CD1 4.23Å; P245-L255 HydrophobicContact CB-CG 4.15Å; M252-L255 HydrophobicContact CG-CD2 4.06Å; M252-L255 HydrophobicContact SD-CD2 4.01Å; L255-V257 PolarHBondContact O-N 3.46Å; L255-V257 VanDerWaalsContact O-N 3.11Å; L255-L260 HydrophobicContact CB-CD1 3.77Å; L255-L260 HydrophobicContact CD1-CD1 4.08Å; L255-L260 HydrophobicContact CD2-CD1 4.18Å; L255-L260 HydrophobicContact CG-CD1 4.22Å
256E61.9Low50.4Low105 Ų105113.7 Ų113.749%0.49156%0.564SS.*  trans-69.9103.3170.7-72.8179.2-147.500109.3V254 D258 K259 L260V254-E256 PolarHBondContact O-N 3.24Å; E256-D258 VanDerWaalsContact C-N 3.26Å; E256-D258 PolarHBondContact O-N 3.3Å; E256-K259 HydrophobicContact CB-CB 4.04Å; E256-K259 HydrophobicContact CB-CD 4.32Å; E256-K259 HydrophobicContact CB-CG 4.29Å; E256-K259 CarbonylContact O-C 3.58Å; E256-K259 WeakPolarHBondContact O-CA 3.35Å; E256-K259 PolarHBondContact O-N 3.47Å; E256-K259 IonicContact OE1-NZ 3.83Å; E256-K259 PolarHBondContact OE1-NZ 2.88Å; E256-K259 WeakPolarHBondContact OE2-CD 3.37Å; E256-K259 WeakPolarHBondContact OE2-CE 3.36Å; E256-K259 WeakPolarHBondContact OE2-CG 3.23Å; E256-K259 IonicContact OE2-NZ 3.38Å; E256-K259 PolarHBondContact OE2-NZ 3.01Å; E256-L260 PolarHBondContact O-N 3.02Å
257V58.3Low50Low97 Ų97114.3 Ų114.359%0.58857%0.572SS**Hα-helixtrans-53.6-43-175.9-178.30000111.5L255 K259 L260 E261L255-V257 PolarHBondContact O-N 3.46Å; L255-V257 VanDerWaalsContact O-N 3.11Å; V257-K259 VanDerWaalsContact C-N 3.3Å; V257-K259 PolarHBondContact O-N 3.41Å; V257-L260 CarbonylContact O-C 3.37Å; V257-L260 WeakPolarHBondContact O-CA 3.35Å; V257-L260 PolarHBondContact O-N 3.03Å; V257-E261 WeakPolarHBondContact O-CG 3.17Å; V257-E261 PolarHBondContact O-N 3.28Å
258D51.8Low49.4Very low130 Ų130114.4 Ų114.470%0.69557%0.572SS**Hα-helixtrans-61.7-35.4179-55.1-6.6000112.5E256 L260E256-D258 VanDerWaalsContact C-N 3.26Å; E256-D258 PolarHBondContact O-N 3.3Å; D258-L260 VanDerWaalsContact C-N 3.29Å
259K49.8Very low48.4Very low123 Ų123111.4 Ų111.454%0.53557%0.569SS.*Hα-helixtrans-79.6-6.3173.3-77.6-172.6-173.7142.80113.1E256 V257 W262E256-K259 HydrophobicContact CB-CB 4.04Å; E256-K259 HydrophobicContact CB-CD 4.32Å; E256-K259 HydrophobicContact CB-CG 4.29Å; E256-K259 CarbonylContact O-C 3.58Å; E256-K259 WeakPolarHBondContact O-CA 3.35Å; E256-K259 PolarHBondContact O-N 3.47Å; E256-K259 IonicContact OE1-NZ 3.83Å; E256-K259 PolarHBondContact OE1-NZ 2.88Å; E256-K259 WeakPolarHBondContact OE2-CD 3.37Å; E256-K259 WeakPolarHBondContact OE2-CE 3.36Å; E256-K259 WeakPolarHBondContact OE2-CG 3.23Å; E256-K259 IonicContact OE2-NZ 3.38Å; E256-K259 PolarHBondContact OE2-NZ 3.01Å; V257-K259 VanDerWaalsContact C-N 3.3Å; V257-K259 PolarHBondContact O-N 3.41Å; K259-W262 VanDerWaalsContact C-CD1 3.44Å; K259-W262 PolarHBondContact O-NE1 3.33Å
260L49Very low47.7Very low45 Ų45110 Ų11024%0.23657%0.57CS.*Hα-helixtrans-99.8-22.9170.3-69.8168.4000111.2L243 L255 E256 V257 D258 W262 T263L243-L260 HydrophobicContact CD1-CD2 4.21Å; L255-L260 HydrophobicContact CB-CD1 3.77Å; L255-L260 HydrophobicContact CD1-CD1 4.08Å; L255-L260 HydrophobicContact CD2-CD1 4.18Å; L255-L260 HydrophobicContact CG-CD1 4.22Å; E256-L260 PolarHBondContact O-N 3.02Å; V257-L260 CarbonylContact O-C 3.37Å; V257-L260 WeakPolarHBondContact O-CA 3.35Å; V257-L260 PolarHBondContact O-N 3.03Å; D258-L260 VanDerWaalsContact C-N 3.29Å; L260-W262 PolarHBondContact O-N 3.47Å; L260-T263 PolarHBondContact O-N 2.99Å; L260-T263 PolarHBondContact O-OG1 3.33Å
261E49.3Very low47.4Very low121 Ų121108.8 Ų108.857%0.56556%0.558SS**Hα-helixtrans-56.9-35.1176.4-75.9-170.9163.900113.1V257 T263 R264V257-E261 WeakPolarHBondContact O-CG 3.17Å; V257-E261 PolarHBondContact O-N 3.28Å; E261-T263 VanDerWaalsContact C-N 3.25Å; E261-T263 PolarHBondContact O-N 3.48Å; E261-R264 WeakPolarHBondContact O-CB 3.31Å; E261-R264 PolarHBondContact O-N 3.42Å
262W48.4Very low46.4Very low202 Ų202109.7 Ų109.777%0.76556%0.56SS**THydrogen-bonded Turntrans-70.7-18.417777.3-85.7000114K259 L260 R264K259-W262 VanDerWaalsContact C-CD1 3.44Å; K259-W262 PolarHBondContact O-NE1 3.33Å; L260-W262 PolarHBondContact O-N 3.47Å; W262-R264 VanDerWaalsContact C-N 3.35Å
263T44.3Very low45.7Very low76 Ų76109.7 Ų109.747%0.46657%0.571SS.*THydrogen-bonded Turntrans-87.4-6.1174.964.60000112.9L260 E261L260-T263 PolarHBondContact O-N 2.99Å; L260-T263 PolarHBondContact O-OG1 3.33Å; E261-T263 VanDerWaalsContact C-N 3.25Å; E261-T263 PolarHBondContact O-N 3.48Å
264R46.8Very low44.3Very low178 Ų178110.7 Ų110.767%0.67258%0.583SS**SBendtrans-68.9137.4173.8-63.3-177.269.7113.62.8109.1E261 W262 L266E261-R264 WeakPolarHBondContact O-CB 3.31Å; E261-R264 PolarHBondContact O-N 3.42Å; W262-R264 VanDerWaalsContact C-N 3.35Å; R264-L266 PolarHBondContact O-N 2.8Å
265D43.5Very low43Very low127 Ų127110.2 Ų110.268%0.67959%0.585SS**PPolyproline II helixtrans-48.3130.3165.3-94.3-1.1000110.5K271D265-K271 VanDerWaalsContact CG-NZ 3.3Å; D265-K271 IonicContact OD2-NZ 2.98Å; D265-K271 PolarHBondContact OD2-NZ 2.99Å
266L41Very low41.7Very low109 Ų109114.9 Ų114.957%0.57162%0.615SS**PPolyproline II helixtrans-47.2139175.3-76.9157.7000110.3R264 A270 K271R264-L266 PolarHBondContact O-N 2.8Å; L266-A270 HydrophobicContact CB-CB 4.07Å; L266-A270 HydrophobicContact CD2-CB 3.94Å; L266-A270 HydrophobicContact CG-CB 4.5Å; L266-K271 HydrophobicContact CB-CG 4.11Å; L266-K271 WeakPolarHBondContact O-CE 3.28Å
267P44Very low39.8Very low84 Ų84117.4 Ų117.455%0.54563%0.627SS.*PPolyproline II helixtrans-53.7148.4174.420.3-30000109.9V269 A270 K271P267-V269 PolarHBondContact O-N 3.12Å; P267-A270 HydrophobicContact CG-CB 4.25Å; P267-A270 WeakPolarHBondContact O-CA 2.92Å; P267-A270 PolarHBondContact O-N 2.97Å; P267-K271 PolarHBondContact O-N 2.92Å; P267-K271 VanDerWaalsContact O-N 3.16Å
268P42Very low38.1Very low106 Ų106118.9 Ų118.969%0.68863%0.631SS**THydrogen-bonded Turntrans-57.9-20.9-171.618.8-30.6000114.1
269V38.7Very low36.7Very low124 Ų124116.6 Ų116.675%0.75263%0.625SS**THydrogen-bonded Turntrans-69.6-36.8172.2-176.20000112.1P267 K272P267-V269 PolarHBondContact O-N 3.12Å; V269-K272 PolarHBondContact O-N 3.19Å
270A35.8Very low35.5Very low52 Ų52117.9 Ų117.943%0.4364%0.638SS.*THydrogen-bonded Turntrans-83.7-17.817700000113.1L266 P267 K272L266-A270 HydrophobicContact CB-CB 4.07Å; L266-A270 HydrophobicContact CD2-CB 3.94Å; L266-A270 HydrophobicContact CG-CB 4.5Å; P267-A270 HydrophobicContact CG-CB 4.25Å; P267-A270 WeakPolarHBondContact O-CA 2.92Å; P267-A270 PolarHBondContact O-N 2.97Å; A270-K272 PolarHBondContact O-N 2.97Å
271K35.8Very low34.2Very low122 Ų122120.5 Ų120.553%0.5366%0.656SS.*THydrogen-bonded Turntrans-72.4-13.6166.6-70.4-171.7177.3-173.20113D265 L266 P267 A273D265-K271 VanDerWaalsContact CG-NZ 3.3Å; D265-K271 IonicContact OD2-NZ 2.98Å; D265-K271 PolarHBondContact OD2-NZ 2.99Å; L266-K271 HydrophobicContact CB-CG 4.11Å; L266-K271 WeakPolarHBondContact O-CE 3.28Å; P267-K271 PolarHBondContact O-N 2.92Å; P267-K271 VanDerWaalsContact O-N 3.16Å; K271-A273 VanDerWaalsContact C-N 3.25Å; K271-A273 PolarHBondContact O-N 3.46Å
272K25.9Very low33Very low174 Ų174122.3 Ų122.376%0.75767%0.669SS**  trans-78.382.3163.6-72.9-174.9175.8-175.20108.5V269 A270V269-K272 PolarHBondContact O-N 3.19Å; A270-K272 PolarHBondContact O-N 2.97Å
273A34.3Very low32Very low70 Ų70118.7 Ų118.758%0.57968%0.675SS**  trans-53.3145.1149.500000107.5K271 S275K271-A273 VanDerWaalsContact C-N 3.25Å; K271-A273 PolarHBondContact O-N 3.46Å; A273-S275 PolarHBondContact O-N 3.48Å
274P27.1Very low31Very low124 Ų124123.7 Ų123.781%0.80570%0.695SS**SBendtrans-50.5112.4166.521.3-29.7000107V276P274-V276 PolarHBondContact O-N 2.94Å
275S24.5Very low30.1Very low100 Ų100123.6 Ų123.670%0.69970%0.702SS**  trans-65.8117.7-162.839.10000110.3A273 E277A273-S275 PolarHBondContact O-N 3.48Å; S275-E277 PolarHBondContact O-N 3.27Å
276V23.9Very low29.3Very low143 Ų143123 Ų12387%0.86770%0.703SS**  trans-86.688.4161.7179.50000106.3P274P274-V276 PolarHBondContact O-N 2.94Å
277E21.4Very low28.6Very low158 Ų158122.9 Ų122.974%0.73871%0.712SS**  trans-87.8103168.9-79.2-174.2177.800109.2S275 S279S275-E277 PolarHBondContact O-N 3.27Å; E277-S279 VanDerWaalsContact C-N 3.34Å; E277-S279 PolarHBondContact O-N 3.12Å
278L23.5Very low27.7Very low128 Ų128123.3 Ų123.367%0.6772%0.723SS**  trans-86.981.2158.2-167.173.4000107.2N280L278-N280 PolarHBondContact O-N 2.85Å
279S22.5Very low27Very low82 Ų82125.5 Ų125.557%0.57373%0.729SS**  trans-75.1109.6168.448.30000108.7E277 T281E277-S279 VanDerWaalsContact C-N 3.34Å; E277-S279 PolarHBondContact O-N 3.12Å; S279-T281 PolarHBondContact O-N 3.5Å
280N23.4Very low26.4Very low150 Ų150128.1 Ų128.180%0.80273%0.732SS**  trans-64.378.4164.5-76.7-22.3000109.4L278L278-N280 PolarHBondContact O-N 2.85Å
281T21.5Very low25.7Very low100 Ų100130.8 Ų130.861%0.61375%0.754SS**  trans-137.49716956.80000107.8S279S279-T281 PolarHBondContact O-N 3.5Å
282N25.2Very low25.4Very low159 Ų159130.3 Ų130.385%0.8577%0.766SS**  trans17569146.4-81.7-16.8000109.5
283S27.1Very low25.3Very low127 Ų127126.7 Ų126.789%0.88876%0.763SS**  trans-117.961.7143.250.50000107.6
284M23.7Very low25.2Very low180 Ų180130.7 Ų130.789%0.88778%0.775SS**  trans-106.658.8169-162.9141135.500108
285E27.2Very low25Very low176 Ų176133.3 Ų133.382%0.82278%0.776SS**  trans-90.1103.2163.3-78-169.4168.400108.8
286T26.5Very low25.1Very low115 Ų115135.5 Ų135.571%0.70678%0.779SS**  trans52.397.7133.254.30000118.4
287S26Very low25.3Very low106 Ų106136.8 Ų136.874%0.74178%0.776SS**  45.1102.512058.60000118.2
288A24.9Very low25.4Very low94 Ų94133.2 Ų133.278%0.77777%0.773SS**  trans44.699.1131.200000117.6
289N27.8Very low25.7Very low152 Ų152134.3 Ų134.381%0.81378%0.78SS**  trans-142109.1142.5-99.4-10.8000109.8
290E26.3Very low25.8Very low178 Ų178137.5 Ų137.583%0.83279%0.79SS**  trans53.6114.4134.8-61.4-177.2163.300119.6
291A21Very low26Very low108 Ų108138.3 Ų138.389%0.89379%0.789SS**  trans-65.8125.1164.200000111.5
292S29.8Very low26.2Very low112 Ų112142.8 Ų142.878%0.78380%0.803SS**  trans-160.1116.2145.758.30000110.5
293S24.4Very low26.2Very low99 Ų99142.6 Ų142.669%0.69280%0.8SS**  trans30.6113.4135.9-170.50000117.9
294D31.1Very low26.1Very low153 Ų153139.2 Ų139.282%0.81879%0.785SS**  -168.3125.7108.3-86.5-15.3000110.2
295H23.9Very low26Very low179 Ų179139.6 Ų139.683%0.82978%0.782SS**  trans-56.6143.6160.5-77.3-87.2000109.1
296L26.7Very low25.9Very low146 Ų146140.1 Ų140.176%0.76478%0.784SS**  170.6122.8124-85160.9000111.4
297E27.1Very low25.7Very low171 Ų171142.8 Ų142.880%0.79979%0.788SS**  trans76.1115.6138.3-64.8177.5-176.500121.5
298A24Very low25.6Very low82 Ų82143.9 Ų143.968%0.67879%0.794SS**  trans-60.4132.9165.800000111.8
299N29.7Very low25.7Very low152 Ų152142 Ų14281%0.81378%0.784SS**  trans-140.9102.6150.9-86.4-41.1000107.6H301N299-H301 PolarHBondContact O-N 3.24Å; N299-H301 VanDerWaalsContact O-N 3.08Å
300D23.9Very low25.9Very low148 Ų148145.7 Ų145.779%0.79179%0.787SS**  trans-65.198.2173.3-64.6-40.9000109.8
301H28.3Very low26.5Very low168 Ų168143.2 Ų143.278%0.77878%0.779SS**  trans-128.492.6156.2-83.3-58.3000108.6N299 I303N299-H301 PolarHBondContact O-N 3.24Å; N299-H301 VanDerWaalsContact O-N 3.08Å; H301-I303 VanDerWaalsContact C-N 3.33Å; H301-I303 PolarHBondContact O-N 2.87Å
302E24.9Very low27.8Very low194 Ų194144.3 Ų144.391%0.90778%0.775SS**  trans-58.189.1168-65.4-179.7151.800110.1
303I25.6Very low29.3Very low155 Ų155143.5 Ų143.580%0.79576%0.759SS**  trans-91.397.9160.1-62.5177.4000105.9H301 K305H301-I303 VanDerWaalsContact C-N 3.33Å; H301-I303 PolarHBondContact O-N 2.87Å; I303-K305 PolarHBondContact O-N 3.41Å
304G24.9Very low31.6Very low55 Ų55143.3 Ų143.357%0.56775%0.747SS**  trans-51.5119.117500000111H306G304-H306 VanDerWaalsContact C-N 3.35Å; G304-H306 PolarHBondContact O-N 2.97Å
305K23Very low33.8Very low189 Ų189137.3 Ų137.382%0.82272%0.718SS**  trans-63.192.8168.2-72.1176.9174.8179.80108.8I303 E307I303-K305 PolarHBondContact O-N 3.41Å; K305-E307 VanDerWaalsContact C-N 3.31Å; K305-E307 PolarHBondContact O-N 3.43Å; K305-E307 VanDerWaalsContact O-N 3.09Å
306H24.1Very low36.8Very low187 Ų187128.9 Ų128.987%0.86668%0.679SS**  trans-76.486.3165.5-84.5-86.4000108.8G304 C308G304-H306 VanDerWaalsContact C-N 3.35Å; G304-H306 PolarHBondContact O-N 2.97Å; H306-C308 PolarHBondContact O-N 3.36Å
307E23Very low39.6Very low171 Ų171122 Ų12280%0.79964%0.643SS**  trans-70110.9164.3-70.4-179.9176.500108.1K305 G309K305-E307 VanDerWaalsContact C-N 3.31Å; K305-E307 PolarHBondContact O-N 3.43Å; K305-E307 VanDerWaalsContact O-N 3.09Å; E307-G309 PolarHBondContact O-N 3.26Å
308C22.6Very low42.3Very low128 Ų128114.3 Ų114.387%0.86561%0.608SS**  trans-7270.8175.2-172.10000109.8H306 R310H306-C308 PolarHBondContact O-N 3.36Å; C308-R310 PolarHBondContact O-N 3.14Å
309G26.7Very low45.1Very low55 Ų55111.3 Ų111.357%0.56758%0.58SS**  trans-72.3110.3167.600000109.1E307 N311E307-G309 PolarHBondContact O-N 3.26Å; G309-N311 PolarHBondContact O-N 3.33Å
310R33.2Very low47.4Very low230 Ų230105.2 Ų105.287%0.86855%0.549SS*.  trans-62.5100.9165.9-75175.6174.6167.1-3107.5C308 T312C308-R310 PolarHBondContact O-N 3.14Å; R310-T312 PolarHBondContact O-N 3.32Å
311N38.5Very low50.1Low125 Ų12598.1 Ų98.167%0.66851%0.511SS*.  trans-63.598.7172.9-70-12.8000108.9G309 H313G309-N311 PolarHBondContact O-N 3.33Å; N311-H313 VanDerWaalsContact CB-NE2 3.33Å; N311-H313 WeakPolarHBondContact CB-NE2 3.35Å; N311-H313 PolarHBondContact O-CD2 3.38Å; N311-H313 PolarHBondContact O-N 3.36Å; N311-H313 VanDerWaalsContact O-N 3.11Å
312T49.3Very low52.7Low132 Ų13291.6 Ų91.681%0.8148%0.482SS*.  trans-75.896.7174.850.30000108.8R310R310-T312 PolarHBondContact O-N 3.32Å
313H60.5Low55.3Low94 Ų9483.1 Ų83.144%0.43544%0.444SS..PPolyproline II helixtrans-87.6148.1175.1-66.3-69.2000111.5N311N311-H313 VanDerWaalsContact CB-NE2 3.33Å; N311-H313 WeakPolarHBondContact CB-NE2 3.35Å; N311-H313 PolarHBondContact O-CD2 3.38Å; N311-H313 PolarHBondContact O-N 3.36Å; N311-H313 VanDerWaalsContact O-N 3.11Å
314Q71.7Confident57.8Low96 Ų9676.3 Ų76.345%0.44941%0.409SS..PPolyproline II helixtrans-70139.7170.3-166.4172.623.500110.3R316 R345 T349Q314-R316 PolarHBondContact O-N 2.99Å; Q314-R345 PolarHBondContact O-NH1 3.49Å; Q314-T349 HydrophobicContact CB-CG2 4.36Å; Q314-T349 HydrophobicContact CG-CG2 3.98Å
315A78.5Confident60.1Low26 Ų2676.2 Ų76.222%0.21540%0.398CS..PPolyproline II helixtrans-68.1127.617600000110.6F317 V323 L388A315-F317 HydrophobicContact CB-CE2 4.23Å; A315-F317 HydrophobicContact CB-CZ 4.4Å; A315-V323 HydrophobicContact CB-CG1 4.42Å; A315-L388 HydrophobicContact CB-CD2 4.09Å
316R85.8Confident62.2Low3 Ų370 Ų701%0.01138%0.377CS..EExtended strand (participates in β ladder)trans-110.6139.9175.9-72.5179.8171.7-82.9-13109.1Q314 V323 V324 E342 A346 G347 T349 E352Q314-R316 PolarHBondContact O-N 2.99Å; R316-V323 CarbonylContact O-C 3.57Å; R316-V323 WeakPolarHBondContact O-CA 3.13Å; R316-V324 PolarHBondContact O-N 2.6Å; R316-E342 IonicContact CZ-OE2 3.81Å; R316-E342 IonicContact NE-OE2 2.72Å; R316-E342 PolarHBondContact NE-OE2 3.47Å; R316-E342 IonicContact NH2-OE2 2.75Å; R316-E342 PolarHBondContact NH2-OE2 3.36Å; R316-A346 WeakPolarHBondContact CB-O 3.2Å; R316-G347 PolarHBondContact NH1-O 3.38Å; R316-T349 HydrophobicContact CG-CG2 3.74Å; R316-E352 IonicContact CZ-OE1 3.17Å; R316-E352 IonicContact CZ-OE2 3.2Å; R316-E352 IonicContact NH1-OE1 2.67Å; R316-E352 IonicContact NH1-OE2 3.3Å; R316-E352 PolarHBondContact NH1-OE2 3.42Å; R316-E352 IonicContact NH2-OE1 3.23Å; R316-E352 PolarHBondContact NH2-OE1 3.26Å; R316-E352 IonicContact NH2-OE2 3.78Å
317F86.6Confident64.3Low1 Ų168.2 Ų68.20%0.00437%0.374CS..EExtended strand (participates in β ladder)trans-114.8140.1-176.1-60.6-95.3000110.4A315 L322 V323 G347 Y348 I350 M353 H384 L388 L396A315-F317 HydrophobicContact CB-CE2 4.23Å; A315-F317 HydrophobicContact CB-CZ 4.4Å; F317-L322 CarbonylContact C-O 3.54Å; F317-L322 VanDerWaalsContact CA-O 3.23Å; F317-L322 WeakPolarHBondContact CA-O 3.33Å; F317-V323 HydrophobicContact CD1-CG2 3.86Å; F317-V323 HydrophobicContact CE1-CG2 3.47Å; F317-V323 VanDerWaalsContact CE1-CG2 3.47Å; F317-V323 HydrophobicContact CZ-CG2 4.03Å; F317-G347 CarbonylContact O-C 3.5Å; F317-G347 WeakPolarHBondContact O-CA 3.33Å; F317-Y348 PolarHBondContact N-O 2.92Å; F317-Y348 PolarHBondContact O-N 3.46Å; F317-I350 HydrophobicContact CD2-CG1 4.42Å; F317-I350 HydrophobicContact CE2-CD1 4.14Å; F317-I350 HydrophobicContact CE2-CG1 3.76Å; F317-M353 HydrophobicContact CB-CE 3.63Å; F317-M353 HydrophobicContact CD2-CE 4.34Å; F317-M353 HydrophobicContact CG-CE 4.28Å; F317-H384 AromaticContact CE1-CE1 3.83Å; F317-H384 AromaticContact CE1-NE2 3.81Å; F317-L388 HydrophobicContact CZ-CD2 4.48Å; F317-L396 HydrophobicContact CE1-CD2 4.32Å; F317-L396 HydrophobicContact CZ-CD1 4.28Å; F317-L396 HydrophobicContact CZ-CD2 4.25Å
318D83.4Confident66.4Low10 Ų1061.9 Ų61.95%0.05335%0.351CS..  trans-74.3178.616878.6-2.3000110.5S320 G321 L322 V324 L336D318-S320 PolarHBondContact O-N 3.49Å; D318-S320 VanDerWaalsContact OD1-C 3.29Å; D318-S320 VanDerWaalsContact OD1-CA 3.32Å; D318-S320 WeakPolarHBondContact OD1-CA 3.25Å; D318-S320 WeakPolarHBondContact OD1-CB 3.39Å; D318-S320 PolarHBondContact OD1-N 2.85Å; D318-S320 PolarHBondContact OD1-OG 3.47Å; D318-S320 PolarHBondContact OD2-OG 3.25Å; D318-G321 PolarHBondContact O-N 2.97Å; D318-G321 VanDerWaalsContact O-N 3.13Å; D318-G321 PolarHBondContact OD1-N 2.72Å; D318-L322 PolarHBondContact N-O 3.16Å; D318-L322 PolarHBondContact OD1-N 3.03Å; D318-V324 HydrophobicContact CB-CG2 3.94Å; D318-L336 HydrophobicContact CB-CD2 4.17Å
319L82.2Confident68.6Low18 Ų1862.6 Ų62.69%0.09435%0.346CS..THydrogen-bonded Turntrans-74.1-13.8-179.9-66.6145.5000113.7P154 I157 G321 L336 L367 M371P154-L319 HydrophobicContact CB-CB 4.1Å; P154-L319 HydrophobicContact CG-CB 3.25Å; P154-L319 HydrophobicContact CG-CD1 3.37Å; P154-L319 HydrophobicContact CG-CD2 4.03Å; P154-L319 HydrophobicContact CG-CG 3.7Å; I157-L319 HydrophobicContact CD1-CD1 3.77Å; L319-G321 VanDerWaalsContact C-N 3.27Å; L319-L336 HydrophobicContact CD1-CD2 3.94Å; L319-L336 HydrophobicContact CG-CD2 4.1Å; L319-L367 HydrophobicContact CD2-CD1 4.15Å; L319-L367 HydrophobicContact CD2-CD2 3.87Å; L319-L367 HydrophobicContact CD2-CG 4.01Å; L319-M371 HydrophobicContact CB-CG 4.49Å; L319-M371 HydrophobicContact CB-SD 4.46Å; L319-M371 HydrophobicContact CD2-CG 3.9Å; L319-M371 HydrophobicContact CD2-SD 3.49Å; L319-M371 WeakPolarHBondContact CD2-SD 3.49Å; L319-M371 HydrophobicContact CG-SD 4.02Å
320S78.4Confident70.9Confident24 Ų2460.4 Ų60.417%0.16832%0.322CS..THydrogen-bonded Turntrans-86-3.4171.882.40000112.5D318 L322 S374 Q378D318-S320 PolarHBondContact O-N 3.49Å; D318-S320 VanDerWaalsContact OD1-C 3.29Å; D318-S320 VanDerWaalsContact OD1-CA 3.32Å; D318-S320 WeakPolarHBondContact OD1-CA 3.25Å; D318-S320 WeakPolarHBondContact OD1-CB 3.39Å; D318-S320 PolarHBondContact OD1-N 2.85Å; D318-S320 PolarHBondContact OD1-OG 3.47Å; D318-S320 PolarHBondContact OD2-OG 3.25Å; S320-L322 WeakPolarHBondContact OG-CD1 3.32Å; S320-L322 WeakPolarHBondContact OG-CG 3.38Å; S320-S374 WeakPolarHBondContact O-CB 3.43Å; S320-Q378 WeakPolarHBondContact O-CG 3.31Å; S320-Q378 PolarHBondContact O-NE2 3.28Å; S320-Q378 VanDerWaalsContact O-NE2 3.11Å
321G81.9Confident72.6Confident0 Ų052.6 Ų52.60%030%0.298CS..SBendtrans82.913.7179.900000114.5D318 L319 S375 H384D318-G321 PolarHBondContact O-N 2.97Å; D318-G321 VanDerWaalsContact O-N 3.13Å; D318-G321 PolarHBondContact OD1-N 2.72Å; L319-G321 VanDerWaalsContact C-N 3.27Å; G321-S375 VanDerWaalsContact CA-OG 3.22Å; G321-S375 WeakPolarHBondContact CA-OG 3.36Å; G321-S375 WeakPolarHBondContact O-CA 3.4Å; G321-H384 PolarHBondContact O-CE1 3.36Å; G321-H384 PolarHBondContact O-NE2 3.48Å
322L81.7Confident74Confident30 Ų3051.6 Ų51.616%0.15730%0.296CS..PPolyproline II helixtrans-87.3147.5175.7-67172.4000111Y148 F317 D318 S320 Q378 R383Y148-L322 HydrophobicContact CE1-CD1 3.97Å; Y148-L322 WeakPolarHBondContact OH-CD1 3.25Å; F317-L322 CarbonylContact C-O 3.54Å; F317-L322 VanDerWaalsContact CA-O 3.23Å; F317-L322 WeakPolarHBondContact CA-O 3.33Å; D318-L322 PolarHBondContact N-O 3.16Å; D318-L322 PolarHBondContact OD1-N 3.03Å; S320-L322 WeakPolarHBondContact OG-CD1 3.32Å; S320-L322 WeakPolarHBondContact OG-CG 3.38Å; L322-Q378 HydrophobicContact CD2-CB 4.23Å; L322-Q378 HydrophobicContact CD2-CG 3.85Å; L322-Q378 HydrophobicContact CG-CG 4.24Å; L322-R383 HydrophobicContact CD2-CB 4.25Å
323V79.9Confident75Confident17 Ų1751.2 Ų51.210%0.10328%0.281CS..EExtended strand (participates in β ladder)trans-74.7128.8176.9179.70000110.3A315 R316 F317 Y387A315-V323 HydrophobicContact CB-CG1 4.42Å; R316-V323 CarbonylContact O-C 3.57Å; R316-V323 WeakPolarHBondContact O-CA 3.13Å; F317-V323 HydrophobicContact CD1-CG2 3.86Å; F317-V323 HydrophobicContact CE1-CG2 3.47Å; F317-V323 VanDerWaalsContact CE1-CG2 3.47Å; F317-V323 HydrophobicContact CZ-CG2 4.03Å; V323-Y387 HydrophobicContact CB-CD2 4.02Å; V323-Y387 HydrophobicContact CB-CG 3.95Å; V323-Y387 HydrophobicContact CG1-CD1 4.33Å; V323-Y387 HydrophobicContact CG1-CG 3.96Å
324V79Confident75.2Confident12 Ų1247.7 Ų47.77%0.07327%0.265CS..EExtended strand (participates in β ladder)trans-84.3122174.8-175.50000109R316 D318 A328 A346R316-V324 PolarHBondContact O-N 2.6Å; D318-V324 HydrophobicContact CB-CG2 3.94Å; V324-A328 HydrophobicContact CG1-CB 3.99Å; V324-A346 HydrophobicContact CG1-CB 4.24Å
325P71.6Confident75Confident52 Ų5244.2 Ų44.234%0.33826%0.255SS..PPolyproline II helixtrans-57.8144.7175-23.833.8000111.8D327 A328 Y387P325-D327 PolarHBondContact O-N 3.41Å; P325-A328 HydrophobicContact CB-CB 4.35Å; P325-A328 WeakPolarHBondContact O-CB 3.09Å; P325-A328 PolarHBondContact O-N 3.24Å; P325-Y387 HydrophobicContact CG-CE1 4.42Å
326P67.9Low74.9Confident59 Ų5943.3 Ų43.338%0.38325%0.247SC..THydrogen-bonded Turntrans-60.7-31.7-177.123.7-32.9000113.8
327D67.2Low74.2Confident149 Ų14945.3 Ų45.380%0.79726%0.256SS*.THydrogen-bonded Turntrans-93.59.6-176.9-50-37.7000113.1P325 D329P325-D327 PolarHBondContact O-N 3.41Å; D327-D329 PolarHBondContact O-N 3.13Å
328A67.7Low73.3Confident38 Ų3847 Ų4731%0.31426%0.264SS..  trans-73.7116.8-178.400000111V324 P325 V330V324-A328 HydrophobicContact CG1-CB 3.99Å; P325-A328 HydrophobicContact CB-CB 4.35Å; P325-A328 WeakPolarHBondContact O-CB 3.09Å; P325-A328 PolarHBondContact O-N 3.24Å; A328-V330 HydrophobicContact CB-CG2 3.95Å; A328-V330 PolarHBondContact O-N 2.88Å
329D69.9Low72.2Confident143 Ų14356 Ų5677%0.76531%0.305SS*.  trans-79.6103.9170.7-167.715.2000109.1D327D327-D329 PolarHBondContact O-N 3.13Å
330V73.2Confident71.3Confident9 Ų956.4 Ų56.46%0.05531%0.314CS..  trans-121.5136.2-173.2179.80000109.1L149 A328 L334 L336 H337 A346L149-V330 HydrophobicContact CD1-CG2 4.05Å; A328-V330 HydrophobicContact CB-CG2 3.95Å; A328-V330 PolarHBondContact O-N 2.88Å; V330-L334 HydrophobicContact CG1-CD1 3.7Å; V330-L336 HydrophobicContact CG1-CD1 3.85Å; V330-H337 PolarHBondContact O-NE2 3.26Å; V330-A346 HydrophobicContact CB-CB 3.62Å; V330-A346 HydrophobicContact CG1-CB 3.89Å; V330-A346 HydrophobicContact CG2-CB 3.89Å
331D70.4Confident70.6Confident67 Ų6763.8 Ų63.836%0.35835%0.346SS..  trans-69.4138.9-177.7-66.4-40000112.8Y333 L334D331-Y333 VanDerWaalsContact C-N 3.32Å; D331-Y333 HydrophobicContact CB-CD1 3.58Å; D331-Y333 HydrophobicContact CB-CE1 3.12Å; D331-Y333 HydrophobicContact CB-CG 4.45Å; D331-Y333 PolarHBondContact O-N 2.86Å; D331-Y333 WeakPolarHBondContact OD2-CE1 3.46Å; D331-Y333 VanDerWaalsContact OD2-CZ 3.3Å; D331-Y333 PolarHBondContact OD2-OH 3.49Å; D331-L334 HydrophobicContact CB-CD1 4.48Å; D331-L334 PolarHBondContact O-N 3.25Å
332T66.5Low70Confident104 Ų10466 Ų6664%0.63836%0.356SS*.G310 helixtrans-64.2-27.5-178.550.10000114.8L334 G335 H337T332-L334 PolarHBondContact O-N 3.45Å; T332-G335 PolarHBondContact O-N 3.46Å; T332-H337 HydrophobicContact CG2-CB 4.24Å
333Y70.2Confident69.4Low123 Ų12367.3 Ų67.348%0.48237%0.366SS..G310 helixtrans-69.2-13.6-179.567.1-98.6000113.8K150 D331 G335K150-Y333 WeakPolarHBondContact CE-OH 3.28Å; D331-Y333 VanDerWaalsContact C-N 3.32Å; D331-Y333 HydrophobicContact CB-CD1 3.58Å; D331-Y333 HydrophobicContact CB-CE1 3.12Å; D331-Y333 HydrophobicContact CB-CG 4.45Å; D331-Y333 PolarHBondContact O-N 2.86Å; D331-Y333 WeakPolarHBondContact OD2-CE1 3.46Å; D331-Y333 VanDerWaalsContact OD2-CZ 3.3Å; D331-Y333 PolarHBondContact OD2-OH 3.49Å; Y333-G335 PolarHBondContact O-N 2.97Å
334L66.3Low69Low20 Ų2073 Ų7311%0.10539%0.392CS..G310 helixtrans-70.8-6.9177.1-67.3170.7000112.6V330 D331 T332 L336V330-L334 HydrophobicContact CG1-CD1 3.7Å; D331-L334 HydrophobicContact CB-CD1 4.48Å; D331-L334 PolarHBondContact O-N 3.25Å; T332-L334 PolarHBondContact O-N 3.45Å; L334-L336 HydrophobicContact CB-CD1 4.12Å; L334-L336 HydrophobicContact CB-CG 4.27Å; L334-L336 HydrophobicContact CD1-CD1 4.49Å; L334-L336 PolarHBondContact O-N 2.98Å
335G67.8Low68.9Low23 Ų2373.9 Ų73.924%0.23739%0.394CS..SBendtrans71.318.3-179.100000113.1T332 Y333 Y348T332-G335 PolarHBondContact O-N 3.46Å; Y333-G335 PolarHBondContact O-N 2.97Å; G335-Y348 PolarHBondContact O-OH 3.01Å
336L75.3Confident69.3Low8 Ų871.7 Ų71.74%0.04238%0.38CS..  trans-89.8-11176.6-70.2170.6000112.6D318 L319 V330 L334 A346 G347D318-L336 HydrophobicContact CB-CD2 4.17Å; L319-L336 HydrophobicContact CD1-CD2 3.94Å; L319-L336 HydrophobicContact CG-CD2 4.1Å; V330-L336 HydrophobicContact CG1-CD1 3.85Å; L334-L336 HydrophobicContact CB-CD1 4.12Å; L334-L336 HydrophobicContact CB-CG 4.27Å; L334-L336 HydrophobicContact CD1-CD1 4.49Å; L334-L336 PolarHBondContact O-N 2.98Å; L336-A346 HydrophobicContact CB-CB 4Å; L336-G347 PolarHBondContact O-N 2.88Å
337H72Confident70.1Confident44 Ų4468.9 Ų68.920%0.20436%0.361CS..  trans-102.3128.8175.6-65.5-97.6000109.3V330 T332 P343 E344V330-H337 PolarHBondContact O-NE2 3.26Å; T332-H337 HydrophobicContact CG2-CB 4.24Å; H337-P343 PolarHBondContact ND1-O 3.43Å; H337-P343 VanDerWaalsContact ND1-O 3.16Å; H337-E344 PolarHBondContact CE1-O 3Å
338H67.6Low71Confident37 Ų3763 Ų6317%0.17133%0.328CS..  trans-144166.1-178.770.280000110.5G340 P343 Y348 E352H338-G340 PolarHBondContact ND1-N 3.43Å; H338-G340 PolarHBondContact O-N 2.96Å; H338-P343 WeakPolarHBondContact O-CA 3.37Å; H338-P343 WeakPolarHBondContact O-CB 3.25Å; H338-Y348 HydrophobicContact CB-CE1 4.13Å; H338-Y348 AromaticContact CD2-CD1 3.32Å; H338-Y348 WeakPolarHBondContact CD2-CD1 3.44Å; H338-Y348 AromaticContact CD2-CE1 3.17Å; H338-Y348 WeakPolarHBondContact CD2-CE1 3.24Å; H338-Y348 AromaticContact CD2-CZ 3.75Å; H338-Y348 AromaticContact CG-CE1 3.6Å; H338-Y348 AromaticContact NE2-CD1 3.36Å; H338-Y348 WeakPolarHBondContact NE2-CD1 3.32Å; H338-Y348 AromaticContact NE2-CE1 3.71Å; H338-E352 IonicContact CE1-OE1 2.75Å; H338-E352 PolarHBondContact CE1-OE1 2.73Å; H338-E352 IonicContact CE1-OE2 3.02Å; H338-E352 PolarHBondContact CE1-OE2 3.4Å; H338-E352 VanDerWaalsContact NE2-CD 3.3Å; H338-E352 IonicContact NE2-OE1 3.25Å; H338-E352 IonicContact NE2-OE2 3.35Å; H338-E352 PolarHBondContact NE2-OE2 3.15Å; H338-E352 VanDerWaalsContact NE2-OE2 3.12Å
339H59.6Low71.9Confident198 Ų19861.4 Ų61.492%0.91732%0.315SS*.SBendtrans-76.755.2-177.4-58.9-64.3000112.8
340G63.1Low72.7Confident27 Ų2756.6 Ų56.628%0.27829%0.288SS..SBendtrans-87.9-161.4171.500000112.4H338H338-G340 PolarHBondContact ND1-N 3.43Å; H338-G340 PolarHBondContact O-N 2.96Å
341E63.3Low73.2Confident180 Ų18058.1 Ų58.184%0.84131%0.306SS*.SBendtrans-72.5-26.7178.3-68.2-178.1172.500113.1
342E70.2Confident74Confident45 Ų4556.2 Ų56.221%0.2130%0.295CS..  trans-127.670.3176.9-48.3172.2143.900110.5R316 E344 R345R316-E342 IonicContact CZ-OE2 3.81Å; R316-E342 IonicContact NE-OE2 2.72Å; R316-E342 PolarHBondContact NE-OE2 3.47Å; R316-E342 IonicContact NH2-OE2 2.75Å; R316-E342 PolarHBondContact NH2-OE2 3.36Å; E342-E344 PolarHBondContact O-N 3.33Å; E342-R345 HydrophobicContact CB-CB 4.41Å; E342-R345 HydrophobicContact CB-CG 4.46Å; E342-R345 PolarHBondContact O-N 3.22Å; E342-R345 VanDerWaalsContact O-N 3.08Å; E342-R345 IonicContact OE1-NH1 3.73Å; E342-R345 WeakPolarHBondContact OE2-CD 3.43Å; E342-R345 IonicContact OE2-CZ 3.41Å; E342-R345 IonicContact OE2-NE 3.46Å; E342-R345 IonicContact OE2-NH1 3.92Å; E342-R345 PolarHBondContact OE2-NH1 3.48Å
343P68.2Low75.1Confident58 Ų5851.3 Ų51.338%0.37727%0.265SS..THydrogen-bonded Turntrans-63.5-23.5-174.227.1-35.8000114.1H337 H338 R345H337-P343 PolarHBondContact ND1-O 3.43Å; H337-P343 VanDerWaalsContact ND1-O 3.16Å; H338-P343 WeakPolarHBondContact O-CA 3.37Å; H338-P343 WeakPolarHBondContact O-CB 3.25Å; P343-R345 PolarHBondContact O-N 2.99Å
344E71.2Confident76Confident137 Ų13748.3 Ų48.364%0.6425%0.254SS*.THydrogen-bonded Turntrans-67.7-19.7174.964.1-73.9167.600113.4H337 E342H337-E344 PolarHBondContact CE1-O 3Å; E342-E344 PolarHBondContact O-N 3.33Å
345R78.4Confident77Confident31 Ų3153.2 Ų53.212%0.11728%0.277CS..SBendtrans-99.4133.7-179.1-67.2-175.565.2-144-1.4111.8Q314 E342 P343Q314-R345 PolarHBondContact O-NH1 3.49Å; E342-R345 HydrophobicContact CB-CB 4.41Å; E342-R345 HydrophobicContact CB-CG 4.46Å; E342-R345 PolarHBondContact O-N 3.22Å; E342-R345 VanDerWaalsContact O-N 3.08Å; E342-R345 IonicContact OE1-NH1 3.73Å; E342-R345 WeakPolarHBondContact OE2-CD 3.43Å; E342-R345 IonicContact OE2-CZ 3.41Å; E342-R345 IonicContact OE2-NE 3.46Å; E342-R345 IonicContact OE2-NH1 3.92Å; E342-R345 PolarHBondContact OE2-NH1 3.48Å; P343-R345 PolarHBondContact O-N 2.99Å
346A79.7Confident77.9Confident5 Ų553.8 Ų53.84%0.04127%0.274CS..  trans-73.7147.9177.400000112.9R316 V324 V330 L336R316-A346 WeakPolarHBondContact CB-O 3.2Å; V324-A346 HydrophobicContact CG1-CB 4.24Å; V330-A346 HydrophobicContact CB-CB 3.62Å; V330-A346 HydrophobicContact CG1-CB 3.89Å; V330-A346 HydrophobicContact CG2-CB 3.89Å; L336-A346 HydrophobicContact CB-CB 4Å
347G83.7Confident78.6Confident0 Ų053.4 Ų53.40%027%0.272CS..SBendtrans93.1168177.400000112.8R316 F317 L336R316-G347 PolarHBondContact NH1-O 3.38Å; F317-G347 CarbonylContact O-C 3.5Å; F317-G347 WeakPolarHBondContact O-CA 3.33Å; L336-G347 PolarHBondContact O-N 2.88Å
348Y86.3Confident79.4Confident27 Ų2758.7 Ų58.711%0.10629%0.29CS..EExtended strand (participates in β ladder)trans-106.5135-178-66.5-93.2000110.4F317 G335 H338 E352 L356 M371F317-Y348 PolarHBondContact N-O 2.92Å; F317-Y348 PolarHBondContact O-N 3.46Å; G335-Y348 PolarHBondContact O-OH 3.01Å; H338-Y348 HydrophobicContact CB-CE1 4.13Å; H338-Y348 AromaticContact CD2-CD1 3.32Å; H338-Y348 WeakPolarHBondContact CD2-CD1 3.44Å; H338-Y348 AromaticContact CD2-CE1 3.17Å; H338-Y348 WeakPolarHBondContact CD2-CE1 3.24Å; H338-Y348 AromaticContact CD2-CZ 3.75Å; H338-Y348 AromaticContact CG-CE1 3.6Å; H338-Y348 AromaticContact NE2-CD1 3.36Å; H338-Y348 WeakPolarHBondContact NE2-CD1 3.32Å; H338-Y348 AromaticContact NE2-CE1 3.71Å; Y348-E352 HydrophobicContact CD1-CB 4.38Å; Y348-L356 HydrophobicContact CD1-CD1 4.1Å; Y348-L356 HydrophobicContact CE1-CD1 3.89Å; Y348-M371 HydrophobicContact CD1-CE 4.15Å; Y348-M371 HydrophobicContact CD2-CE 3.55Å; Y348-M371 HydrophobicContact CD2-SD 3.58Å; Y348-M371 VanDerWaalsContact CD2-SD 3.58Å; Y348-M371 HydrophobicContact CE2-CE 4.02Å; Y348-M371 HydrophobicContact CE2-SD 4.09Å; Y348-M371 HydrophobicContact CG-CE 3.63Å; Y348-M371 HydrophobicContact CG-SD 4.18Å
349T87.1Confident80.4Confident4 Ų458 Ų583%0.02529%0.29CS..EExtended strand (participates in β ladder)trans-73.5161.2167.266.90000110.6Q314 R316 G351 E352 M353Q314-T349 HydrophobicContact CB-CG2 4.36Å; Q314-T349 HydrophobicContact CG-CG2 3.98Å; R316-T349 HydrophobicContact CG-CG2 3.74Å; T349-G351 PolarHBondContact O-N 3.25Å; T349-E352 WeakPolarHBondContact CB-OE2 3.42Å; T349-E352 WeakPolarHBondContact CG2-OE2 3.49Å; T349-E352 PolarHBondContact N-OE2 3.35Å; T349-E352 PolarHBondContact O-N 3.36Å; T349-E352 WeakPolarHBondContact OG1-CB 3.38Å; T349-E352 WeakPolarHBondContact OG1-CG 3.09Å; T349-E352 PolarHBondContact OG1-N 3.28Å; T349-E352 PolarHBondContact OG1-OE2 3.14Å; T349-M353 WeakPolarHBondContact O-CG 3.48Å; T349-M353 PolarHBondContact O-N 2.81Å
350I85.9Confident81.5Confident41 Ų4154.1 Ų54.121%0.2129%0.285CS..Hα-helixtrans-59.4-38.1175.1-61.2162.7000111F317 M353 F354 L396 L400F317-I350 HydrophobicContact CD2-CG1 4.42Å; F317-I350 HydrophobicContact CE2-CD1 4.14Å; F317-I350 HydrophobicContact CE2-CG1 3.76Å; I350-M353 PolarHBondContact O-N 3.14Å; I350-F354 HydrophobicContact CG2-CD1 4.18Å; I350-F354 HydrophobicContact CG2-CD2 4.34Å; I350-F354 HydrophobicContact CG2-CE1 3.77Å; I350-F354 HydrophobicContact CG2-CE2 3.94Å; I350-F354 HydrophobicContact CG2-CG 4.46Å; I350-F354 HydrophobicContact CG2-CZ 3.64Å; I350-F354 WeakPolarHBondContact O-CD1 3.26Å; I350-F354 WeakPolarHBondContact O-CG 3.35Å; I350-F354 PolarHBondContact O-N 3.49Å; I350-L396 HydrophobicContact CD1-CD1 3.37Å; I350-L396 HydrophobicContact CG1-CD1 4.26Å; I350-L400 HydrophobicContact CG2-CD2 4.19Å
351G83.5Confident82.6Confident42 Ų4255.7 Ų55.743%0.43329%0.289SS..Hα-helixtrans-63.1-43.4178.200000112.4T349 F354 H355T349-G351 PolarHBondContact O-N 3.25Å; G351-F354 PolarHBondContact O-N 3.04Å; G351-H355 PolarHBondContact O-N 3.04Å
352E87.5Confident83.5Confident27 Ų2750.1 Ų50.113%0.12627%0.268CS..Hα-helixtrans-65.5-39.9175.9-68.9153.416400111.2R316 H338 Y348 T349 H355 L356R316-E352 IonicContact CZ-OE1 3.17Å; R316-E352 IonicContact CZ-OE2 3.2Å; R316-E352 IonicContact NH1-OE1 2.67Å; R316-E352 IonicContact NH1-OE2 3.3Å; R316-E352 PolarHBondContact NH1-OE2 3.42Å; R316-E352 IonicContact NH2-OE1 3.23Å; R316-E352 PolarHBondContact NH2-OE1 3.26Å; R316-E352 IonicContact NH2-OE2 3.78Å; H338-E352 IonicContact CE1-OE1 2.75Å; H338-E352 PolarHBondContact CE1-OE1 2.73Å; H338-E352 IonicContact CE1-OE2 3.02Å; H338-E352 PolarHBondContact CE1-OE2 3.4Å; H338-E352 VanDerWaalsContact NE2-CD 3.3Å; H338-E352 IonicContact NE2-OE1 3.25Å; H338-E352 IonicContact NE2-OE2 3.35Å; H338-E352 PolarHBondContact NE2-OE2 3.15Å; H338-E352 VanDerWaalsContact NE2-OE2 3.12Å; Y348-E352 HydrophobicContact CD1-CB 4.38Å; T349-E352 WeakPolarHBondContact CB-OE2 3.42Å; T349-E352 WeakPolarHBondContact CG2-OE2 3.49Å; T349-E352 PolarHBondContact N-OE2 3.35Å; T349-E352 PolarHBondContact O-N 3.36Å; T349-E352 WeakPolarHBondContact OG1-CB 3.38Å; T349-E352 WeakPolarHBondContact OG1-CG 3.09Å; T349-E352 PolarHBondContact OG1-N 3.28Å; T349-E352 PolarHBondContact OG1-OE2 3.14Å; E352-H355 WeakPolarHBondContact O-CB 3.27Å; E352-H355 PolarHBondContact O-N 2.92Å; E352-L356 WeakPolarHBondContact O-CG 3.3Å; E352-L356 PolarHBondContact O-N 2.67Å
353M89.4Confident84.2Confident1 Ų151.5 Ų51.51%0.00529%0.287CS..Hα-helixtrans-61.1-45.3173-67.4-179.2-175.600112.2F317 T349 I350 H355 L356 C357 M371 L372F317-M353 HydrophobicContact CB-CE 3.63Å; F317-M353 HydrophobicContact CD2-CE 4.34Å; F317-M353 HydrophobicContact CG-CE 4.28Å; T349-M353 WeakPolarHBondContact O-CG 3.48Å; T349-M353 PolarHBondContact O-N 2.81Å; I350-M353 PolarHBondContact O-N 3.14Å; M353-H355 VanDerWaalsContact C-N 3.28Å; M353-H355 PolarHBondContact O-N 2.97Å; M353-L356 PolarHBondContact O-N 3.1Å; M353-C357 PolarHBondContact O-N 3.46Å; M353-C357 PolarHBondContact O-SG 3.29Å; M353-M371 HydrophobicContact CE-CB 3.76Å; M353-M371 HydrophobicContact CE-CE 4.08Å; M353-M371 HydrophobicContact CE-SD 4.03Å; M353-M371 HydrophobicContact CG-CE 3.99Å; M353-M371 HydrophobicContact SD-CB 4.08Å; M353-L372 HydrophobicContact CB-CD1 4.41Å; M353-L372 HydrophobicContact CB-CD2 4.03Å; M353-L372 HydrophobicContact CB-CG 4.08Å; M353-L372 HydrophobicContact CG-CD2 4.49Å; M353-L372 HydrophobicContact SD-CD2 3.6Å; M353-L372 HydrophobicContact SD-CG 3.91Å
354F89.7Confident85.1Confident59 Ų5952.9 Ų52.926%0.25929%0.289SS..Hα-helixtrans-63.1-37.3177.5-74.72.7000111.9I350 G351 L372 L400 I422 L425I350-F354 HydrophobicContact CG2-CD1 4.18Å; I350-F354 HydrophobicContact CG2-CD2 4.34Å; I350-F354 HydrophobicContact CG2-CE1 3.77Å; I350-F354 HydrophobicContact CG2-CE2 3.94Å; I350-F354 HydrophobicContact CG2-CG 4.46Å; I350-F354 HydrophobicContact CG2-CZ 3.64Å; I350-F354 WeakPolarHBondContact O-CD1 3.26Å; I350-F354 WeakPolarHBondContact O-CG 3.35Å; I350-F354 PolarHBondContact O-N 3.49Å; G351-F354 PolarHBondContact O-N 3.04Å; F354-L372 HydrophobicContact CD1-CD1 4.1Å; F354-L372 HydrophobicContact CD1-CD2 4.39Å; F354-L372 HydrophobicContact CE1-CD1 4.1Å; F354-L372 HydrophobicContact CE1-CD2 4.01Å; F354-L400 HydrophobicContact CZ-CD2 3.82Å; F354-I422 HydrophobicContact CE1-CD1 4.29Å; F354-I422 HydrophobicContact CE1-CG1 4.38Å; F354-I422 HydrophobicContact CZ-CB 4.24Å; F354-I422 HydrophobicContact CZ-CD1 4.39Å; F354-I422 HydrophobicContact CZ-CG1 4.36Å; F354-L425 HydrophobicContact CB-CD2 4.19Å; F354-L425 HydrophobicContact CD1-CD2 3.59Å; F354-L425 HydrophobicContact CE1-CD2 4.05Å; F354-L425 HydrophobicContact CG-CD2 3.87Å
355H86.5Confident86.1Confident123 Ų12346.8 Ų46.857%0.56926%0.26SS*.Hα-helixtrans-61.5-50.5173.1-172.290.2000111.2G351 E352 M353 C357 R358G351-H355 PolarHBondContact O-N 3.04Å; E352-H355 WeakPolarHBondContact O-CB 3.27Å; E352-H355 PolarHBondContact O-N 2.92Å; M353-H355 VanDerWaalsContact C-N 3.28Å; M353-H355 PolarHBondContact O-N 2.97Å; H355-C357 VanDerWaalsContact C-N 3.32Å; H355-C357 PolarHBondContact O-N 3.4Å; H355-R358 PolarHBondContact O-N 3.2Å; H355-R358 VanDerWaalsContact O-N 3.08Å
356L88.4Confident86.5Confident35 Ų3548.6 Ų48.618%0.18327%0.266CS..Hα-helixtrans-64.6-30.6-179.7-69.9174.3000113.6Y348 E352 M353 R358 S359 Q364 R365 A368Y348-L356 HydrophobicContact CD1-CD1 4.1Å; Y348-L356 HydrophobicContact CE1-CD1 3.89Å; E352-L356 WeakPolarHBondContact O-CG 3.3Å; E352-L356 PolarHBondContact O-N 2.67Å; M353-L356 PolarHBondContact O-N 3.1Å; L356-R358 PolarHBondContact O-N 3.21Å; L356-S359 VanDerWaalsContact O-CB 3.28Å; L356-S359 WeakPolarHBondContact O-CB 3.36Å; L356-S359 PolarHBondContact O-N 3.28Å; L356-S359 VanDerWaalsContact O-N 3.08Å; L356-Q364 HydrophobicContact CD2-CB 4.46Å; L356-R365 WeakPolarHBondContact O-CA 3.48Å; L356-A368 HydrophobicContact CB-CB 3.49Å; L356-A368 VanDerWaalsContact CB-CB 3.49Å
357C89.9Confident86.9Confident0 Ų050.2 Ų50.20%027%0.274CS..Hα-helixtrans-58.9-26.6173.7-71.10000113M353 H355 R365 I369 L425M353-C357 PolarHBondContact O-N 3.46Å; M353-C357 PolarHBondContact O-SG 3.29Å; H355-C357 VanDerWaalsContact C-N 3.32Å; H355-C357 PolarHBondContact O-N 3.4Å; C357-R365 PolarHBondContact O-NE 3.09Å; C357-I369 HydrophobicContact CB-CG1 4.48Å; C357-L425 HydrophobicContact CB-CD1 4.2Å; C357-L425 HydrophobicContact CB-CD2 4.07Å; C357-L425 HydrophobicContact CB-CG 4.35Å
358R87.8Confident87.2Confident156 Ų15650.2 Ų50.259%0.58927%0.274SS*.THydrogen-bonded Turntrans-97.92.6179.1-55.3-175.3-54.1160.17.5113.8H355 L356 L425 W428H355-R358 PolarHBondContact O-N 3.2Å; H355-R358 VanDerWaalsContact O-N 3.08Å; L356-R358 PolarHBondContact O-N 3.21Å; R358-L425 HydrophobicContact CG-CD1 3.87Å; R358-W428 HydrophobicContact CB-CZ3 4.44Å; R358-W428 HydrophobicContact CG-CZ3 4.23Å
359S89.1Confident87.5Confident22 Ų2248.9 Ų48.915%0.15427%0.269CS..  trans-58.6149.3177.2175.70000111.1L356 V361 Q364 R365L356-S359 VanDerWaalsContact O-CB 3.28Å; L356-S359 WeakPolarHBondContact O-CB 3.36Å; L356-S359 PolarHBondContact O-N 3.28Å; L356-S359 VanDerWaalsContact O-N 3.08Å; S359-V361 PolarHBondContact O-N 3.45Å; S359-V361 PolarHBondContact OG-N 2.88Å; S359-V361 VanDerWaalsContact OG-N 3.11Å; S359-Q364 PolarHBondContact OG-OE1 3.01Å; S359-R365 WeakPolarHBondContact O-CD 3.37Å; S359-R365 WeakPolarHBondContact O-CG 3.43Å
360S83.4Confident87.7Confident116 Ų11650.2 Ų50.281%0.81128%0.279SS*.SBendtrans-71.6-15.8171.256.80000112.8P362S360-P362 WeakPolarHBondContact O-CD 3.33Å
361V85.9Confident87.9Confident61 Ų6148.4 Ų48.437%0.3727%0.269SS..  trans-89.7113.7-177-178.10000110.7S359 A363 Q364 R365S359-V361 PolarHBondContact O-N 3.45Å; S359-V361 PolarHBondContact OG-N 2.88Å; S359-V361 VanDerWaalsContact OG-N 3.11Å; V361-A363 VanDerWaalsContact C-N 3.28Å; V361-A363 HydrophobicContact CG1-CB 4.39Å; V361-A363 PolarHBondContact O-N 3.05Å; V361-A363 VanDerWaalsContact O-N 3.16Å; V361-Q364 HydrophobicContact CB-CB 4.28Å; V361-Q364 HydrophobicContact CB-CG 4.07Å; V361-Q364 HydrophobicContact CG1-CG 4.05Å; V361-Q364 PolarHBondContact O-N 3.36Å; V361-Q364 VanDerWaalsContact O-N 3.14Å; V361-R365 WeakPolarHBondContact O-CG 3.34Å; V361-R365 PolarHBondContact O-N 3.34Å
362P81.9Confident88.3Confident63 Ų6346.7 Ų46.741%0.40925%0.25SC..Hα-helixtrans-58.2-34.6-174.8-27.336000114.9S360 R366 L456S360-P362 WeakPolarHBondContact O-CD 3.33Å; P362-R366 PolarHBondContact O-N 2.76Å; P362-L456 HydrophobicContact CB-CD1 4.29Å
363A84Confident88.4Confident73 Ų7345.4 Ų45.460%0.60324%0.244SC*.Hα-helixtrans-65.8-42.5179.100000112.4V361 R366 L367V361-A363 VanDerWaalsContact C-N 3.28Å; V361-A363 HydrophobicContact CG1-CB 4.39Å; V361-A363 PolarHBondContact O-N 3.05Å; V361-A363 VanDerWaalsContact O-N 3.16Å; A363-R366 PolarHBondContact O-N 3.15Å; A363-L367 PolarHBondContact O-N 2.93Å; A363-L367 VanDerWaalsContact O-N 3.08Å
364Q88.7Confident88.3Confident88 Ų8846.5 Ų46.541%0.41125%0.252SS..Hα-helixtrans-65.3-43.2178-69177.9-6.700111.3L356 S359 V361 R366 L367 A368L356-Q364 HydrophobicContact CD2-CB 4.46Å; S359-Q364 PolarHBondContact OG-OE1 3.01Å; V361-Q364 HydrophobicContact CB-CB 4.28Å; V361-Q364 HydrophobicContact CB-CG 4.07Å; V361-Q364 HydrophobicContact CG1-CG 4.05Å; V361-Q364 PolarHBondContact O-N 3.36Å; V361-Q364 VanDerWaalsContact O-N 3.14Å; Q364-R366 VanDerWaalsContact C-N 3.34Å; Q364-R366 PolarHBondContact O-N 3.3Å; Q364-L367 PolarHBondContact O-N 3.37Å; Q364-A368 PolarHBondContact O-N 3.42Å
365R90.5Very high88.3Confident8 Ų843.8 Ų43.83%0.0324%0.24CC..Hα-helixtrans-59.2-46.3176.2-60.9171.169.6168.52.7111.8L356 C357 S359 V361 L367 A368 I369 E432 L456L356-R365 WeakPolarHBondContact O-CA 3.48Å; C357-R365 PolarHBondContact O-NE 3.09Å; S359-R365 WeakPolarHBondContact O-CD 3.37Å; S359-R365 WeakPolarHBondContact O-CG 3.43Å; V361-R365 WeakPolarHBondContact O-CG 3.34Å; V361-R365 PolarHBondContact O-N 3.34Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 3.01Å; R365-A368 PolarHBondContact O-N 3.26Å; R365-I369 VanDerWaalsContact O-CG1 3.29Å; R365-I369 WeakPolarHBondContact O-CG1 3.32Å; R365-I369 PolarHBondContact O-N 3.43Å; R365-E432 IonicContact CZ-OE1 2.87Å; R365-E432 IonicContact CZ-OE2 3.13Å; R365-E432 IonicContact NH1-OE1 3.43Å; R365-E432 PolarHBondContact NH1-OE1 2.84Å; R365-E432 IonicContact NH1-OE2 3.4Å; R365-E432 PolarHBondContact NH1-OE2 2.86Å; R365-E432 VanDerWaalsContact NH1-OE2 3.12Å; R365-E432 IonicContact NH2-OE1 2.72Å; R365-E432 IonicContact NH2-OE2 3.21Å; R365-E432 PolarHBondContact NH2-OE2 3.43Å; R365-L456 HydrophobicContact CB-CD2 3.92Å
366R88Confident88.4Confident69 Ų6938 Ų3826%0.2621%0.213SC..Hα-helixtrans-60.8-47.3179.7-179.5-175.1-69.3-143.62.6110.7P362 A363 Q364 A368 I369 S370 G451 A452 L456 E459P362-R366 PolarHBondContact O-N 2.76Å; A363-R366 PolarHBondContact O-N 3.15Å; Q364-R366 VanDerWaalsContact C-N 3.34Å; Q364-R366 PolarHBondContact O-N 3.3Å; R366-A368 VanDerWaalsContact C-N 3.29Å; R366-A368 PolarHBondContact O-N 3.34Å; R366-I369 PolarHBondContact O-N 3.42Å; R366-S370 WeakPolarHBondContact O-CB 3.46Å; R366-S370 PolarHBondContact O-N 2.91Å; R366-G451 PolarHBondContact NH2-O 2.85Å; R366-G451 VanDerWaalsContact NH2-O 3.14Å; R366-A452 PolarHBondContact NH2-O 2.85Å; R366-L456 HydrophobicContact CB-CD2 3.75Å; R366-E459 HydrophobicContact CG-CG 4.24Å
367L87.3Confident88.2Confident39 Ų3937.8 Ų37.820%0.20421%0.213CC..Hα-helixtrans-56.4-47.5177.9-175.5156.4000110.1L319 A363 Q364 R365 S370 M371L319-L367 HydrophobicContact CD2-CD1 4.15Å; L319-L367 HydrophobicContact CD2-CD2 3.87Å; L319-L367 HydrophobicContact CD2-CG 4.01Å; A363-L367 PolarHBondContact O-N 2.93Å; A363-L367 VanDerWaalsContact O-N 3.08Å; Q364-L367 PolarHBondContact O-N 3.37Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 3.01Å; L367-S370 PolarHBondContact O-N 3.31Å; L367-M371 HydrophobicContact CD2-CE 3.29Å; L367-M371 HydrophobicContact CD2-CG 4.19Å; L367-M371 HydrophobicContact CD2-SD 3.86Å; L367-M371 WeakPolarHBondContact O-CG 3.32Å; L367-M371 PolarHBondContact O-N 3.2Å
368A90.6Very high87.7Confident0 Ų038.9 Ų38.90%022%0.218CC..Hα-helixtrans-62-48179.600000113.8L356 Q364 R365 R366 S370 M371 L372L356-A368 HydrophobicContact CB-CB 3.49Å; L356-A368 VanDerWaalsContact CB-CB 3.49Å; Q364-A368 PolarHBondContact O-N 3.42Å; R365-A368 PolarHBondContact O-N 3.26Å; R366-A368 VanDerWaalsContact C-N 3.29Å; R366-A368 PolarHBondContact O-N 3.34Å; A368-S370 VanDerWaalsContact C-N 3.29Å; A368-S370 PolarHBondContact O-N 2.98Å; A368-M371 PolarHBondContact O-N 3.19Å; A368-L372 WeakPolarHBondContact O-CG 3.47Å; A368-L372 PolarHBondContact O-N 3.49Å
369I92.3Very high87.3Confident0 Ų031.6 Ų31.60%019%0.191CC..Hα-helixtrans-65.2-38.4177.6-60.7166.8000109.8C357 R365 R366 L372 G373 L426 C429 L456 E459 C463C357-I369 HydrophobicContact CB-CG1 4.48Å; R365-I369 VanDerWaalsContact O-CG1 3.29Å; R365-I369 WeakPolarHBondContact O-CG1 3.32Å; R365-I369 PolarHBondContact O-N 3.43Å; R366-I369 PolarHBondContact O-N 3.42Å; I369-L372 PolarHBondContact O-N 2.94Å; I369-G373 PolarHBondContact O-N 3.07Å; I369-L426 HydrophobicContact CG2-CD2 4.32Å; I369-C429 HydrophobicContact CD1-CB 4.07Å; I369-L456 HydrophobicContact CD1-CD2 4.08Å; I369-E459 HydrophobicContact CB-CB 4.31Å; I369-E459 HydrophobicContact CG2-CB 3.7Å; I369-C463 HydrophobicContact CG2-CB 4.43Å; I369-C463 VanDerWaalsContact CG2-SG 3.53Å; I369-C463 PolarHBondContact O-SG 2.97Å
370S91.1Very high86.8Confident32 Ų3233 Ų3322%0.22419%0.193CC..Hα-helixtrans-62.7-46.4178-170.60000111.7R366 L367 A368 L372 G373 S374 R462R366-S370 WeakPolarHBondContact O-CB 3.46Å; R366-S370 PolarHBondContact O-N 2.91Å; L367-S370 PolarHBondContact O-N 3.31Å; A368-S370 VanDerWaalsContact C-N 3.29Å; A368-S370 PolarHBondContact O-N 2.98Å; S370-L372 PolarHBondContact O-N 3.07Å; S370-G373 PolarHBondContact O-N 2.78Å; S370-S374 PolarHBondContact O-N 3.08Å; S370-S374 PolarHBondContact O-OG 3.45Å; S370-S374 VanDerWaalsContact O-OG 3.06Å; S370-R462 VanDerWaalsContact CA-NH2 3.31Å; S370-R462 PolarHBondContact O-NH2 3.11Å
371M90.9Very high86.2Confident2 Ų230.8 Ų30.81%0.0117%0.172CC..Hα-helixtrans-58.1-47.5173.6-69.9-165-66.600111.6L319 Y348 M353 L367 A368 G373 S374 S375L319-M371 HydrophobicContact CB-CG 4.49Å; L319-M371 HydrophobicContact CB-SD 4.46Å; L319-M371 HydrophobicContact CD2-CG 3.9Å; L319-M371 HydrophobicContact CD2-SD 3.49Å; L319-M371 WeakPolarHBondContact CD2-SD 3.49Å; L319-M371 HydrophobicContact CG-SD 4.02Å; Y348-M371 HydrophobicContact CD1-CE 4.15Å; Y348-M371 HydrophobicContact CD2-CE 3.55Å; Y348-M371 HydrophobicContact CD2-SD 3.58Å; Y348-M371 VanDerWaalsContact CD2-SD 3.58Å; Y348-M371 HydrophobicContact CE2-CE 4.02Å; Y348-M371 HydrophobicContact CE2-SD 4.09Å; Y348-M371 HydrophobicContact CG-CE 3.63Å; Y348-M371 HydrophobicContact CG-SD 4.18Å; M353-M371 HydrophobicContact CE-CB 3.76Å; M353-M371 HydrophobicContact CE-CE 4.08Å; M353-M371 HydrophobicContact CE-SD 4.03Å; M353-M371 HydrophobicContact CG-CE 3.99Å; M353-M371 HydrophobicContact SD-CB 4.08Å; L367-M371 HydrophobicContact CD2-CE 3.29Å; L367-M371 HydrophobicContact CD2-CG 4.19Å; L367-M371 HydrophobicContact CD2-SD 3.86Å; L367-M371 WeakPolarHBondContact O-CG 3.32Å; L367-M371 PolarHBondContact O-N 3.2Å; A368-M371 PolarHBondContact O-N 3.19Å; M371-G373 VanDerWaalsContact C-N 3.33Å; M371-G373 PolarHBondContact O-N 3.16Å; M371-S374 PolarHBondContact O-N 3.09Å; M371-S375 PolarHBondContact O-N 2.97Å; M371-S375 PolarHBondContact O-OG 3.08Å; M371-S375 VanDerWaalsContact O-OG 3.06Å
372L91.2Very high85.4Confident6 Ų628 Ų283%0.03116%0.156CC..Hα-helixtrans-57.1-47.2176.8-74.6171.9000111.6M353 F354 A368 I369 S370 S374 S375 L376M353-L372 HydrophobicContact CB-CD1 4.41Å; M353-L372 HydrophobicContact CB-CD2 4.03Å; M353-L372 HydrophobicContact CB-CG 4.08Å; M353-L372 HydrophobicContact CG-CD2 4.49Å; M353-L372 HydrophobicContact SD-CD2 3.6Å; M353-L372 HydrophobicContact SD-CG 3.91Å; F354-L372 HydrophobicContact CD1-CD1 4.1Å; F354-L372 HydrophobicContact CD1-CD2 4.39Å; F354-L372 HydrophobicContact CE1-CD1 4.1Å; F354-L372 HydrophobicContact CE1-CD2 4.01Å; A368-L372 WeakPolarHBondContact O-CG 3.47Å; A368-L372 PolarHBondContact O-N 3.49Å; I369-L372 PolarHBondContact O-N 2.94Å; S370-L372 PolarHBondContact O-N 3.07Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3.1Å; L372-S375 PolarHBondContact O-N 3.39Å; L372-L376 VanDerWaalsContact O-CG 3.29Å; L372-L376 WeakPolarHBondContact O-CG 3.42Å; L372-L376 PolarHBondContact O-N 3.26Å
373G89.5Confident85Confident0 Ų030.4 Ų30.40%016%0.157CC..Hα-helixtrans-60.7-41.8178.800000112.1I369 S370 M371 L376 V377 C463I369-G373 PolarHBondContact O-N 3.07Å; S370-G373 PolarHBondContact O-N 2.78Å; M371-G373 VanDerWaalsContact C-N 3.33Å; M371-G373 PolarHBondContact O-N 3.16Å; G373-L376 PolarHBondContact O-N 2.62Å; G373-V377 WeakPolarHBondContact O-CG2 3.05Å; G373-V377 PolarHBondContact O-N 3.42Å; G373-C463 WeakPolarHBondContact CA-SG 3.35Å; G373-C463 PolarHBondContact N-SG 3.37Å
374S88.6Confident84.3Confident25 Ų2527 Ų2718%0.17513%0.128CC..Hα-helixtrans-66.3-43.3176.2-57.90000111.7S320 S370 M371 L372 L376 V377 Q378S320-S374 WeakPolarHBondContact O-CB 3.43Å; S370-S374 PolarHBondContact O-N 3.08Å; S370-S374 PolarHBondContact O-OG 3.45Å; S370-S374 VanDerWaalsContact O-OG 3.06Å; M371-S374 PolarHBondContact O-N 3.09Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3.1Å; S374-L376 VanDerWaalsContact C-N 3.28Å; S374-L376 PolarHBondContact O-N 2.87Å; S374-V377 WeakPolarHBondContact O-CB 3.32Å; S374-V377 PolarHBondContact O-N 3.06Å; S374-V377 VanDerWaalsContact O-N 3.07Å; S374-Q378 WeakPolarHBondContact O-CG 3.45Å; S374-Q378 PolarHBondContact O-N 3.18Å
375S88.9Confident83.2Confident1 Ų123.1 Ų23.11%0.00711%0.11CC..Hα-helixtrans-59.6-38176.3-61.20000112.4G321 M371 L372 Q378 T379 H384G321-S375 VanDerWaalsContact CA-OG 3.22Å; G321-S375 WeakPolarHBondContact CA-OG 3.36Å; G321-S375 WeakPolarHBondContact O-CA 3.4Å; M371-S375 PolarHBondContact O-N 2.97Å; M371-S375 PolarHBondContact O-OG 3.08Å; M371-S375 VanDerWaalsContact O-OG 3.06Å; L372-S375 PolarHBondContact O-N 3.39Å; S375-Q378 PolarHBondContact O-N 3.07Å; S375-T379 PolarHBondContact O-N 2.91Å; S375-T379 PolarHBondContact O-OG1 3.34Å; S375-H384 PolarHBondContact O-NE2 3.45Å
376L88.8Confident81.7Confident2 Ų226.5 Ų26.51%0.0112%0.123CC..Hα-helixtrans-65.1-39.8174.9-67.2171.4000111.9L372 G373 S374 T379 R380 I397 L400 N466 L467L372-L376 VanDerWaalsContact O-CG 3.29Å; L372-L376 WeakPolarHBondContact O-CG 3.42Å; L372-L376 PolarHBondContact O-N 3.26Å; G373-L376 PolarHBondContact O-N 2.62Å; S374-L376 VanDerWaalsContact C-N 3.28Å; S374-L376 PolarHBondContact O-N 2.87Å; L376-T379 WeakPolarHBondContact O-CB 3.47Å; L376-T379 PolarHBondContact O-N 3.26Å; L376-R380 PolarHBondContact O-N 2.69Å; L376-I397 HydrophobicContact CD2-CG1 3.74Å; L376-L400 HydrophobicContact CD2-CD1 3.94Å; L376-N466 HydrophobicContact CB-CB 3.97Å; L376-N466 HydrophobicContact CD1-CB 4.43Å; L376-L467 HydrophobicContact CD1-CB 4.06Å; L376-L467 HydrophobicContact CD1-CD1 4.32Å; L376-L467 HydrophobicContact CD2-CD1 3.89Å
377V83.1Confident80.6Confident30 Ų3026.2 Ų26.218%0.18212%0.123CC..Hα-helixtrans-62.7-49.8173.91760000110.8G373 S374 T379 R380 L381 N466G373-V377 WeakPolarHBondContact O-CG2 3.05Å; G373-V377 PolarHBondContact O-N 3.42Å; S374-V377 WeakPolarHBondContact O-CB 3.32Å; S374-V377 PolarHBondContact O-N 3.06Å; S374-V377 VanDerWaalsContact O-N 3.07Å; V377-T379 PolarHBondContact O-N 3.1Å; V377-R380 PolarHBondContact O-N 2.87Å; V377-R380 VanDerWaalsContact O-N 3.07Å; V377-L381 HydrophobicContact CG1-CD1 4.27Å; V377-L381 PolarHBondContact O-N 3.04Å; V377-N466 HydrophobicContact CG2-CB 4.42Å; V377-N466 WeakPolarHBondContact CG2-ND2 3.2Å
378Q80.5Confident79.5Confident23 Ų2325.2 Ų25.211%0.10712%0.117CC..Hα-helixtrans-59.7-33.7179.2-58.6-54.6-18.600112.2S320 L322 S374 S375 L381 R383S320-Q378 WeakPolarHBondContact O-CG 3.31Å; S320-Q378 PolarHBondContact O-NE2 3.28Å; S320-Q378 VanDerWaalsContact O-NE2 3.11Å; L322-Q378 HydrophobicContact CD2-CB 4.23Å; L322-Q378 HydrophobicContact CD2-CG 3.85Å; L322-Q378 HydrophobicContact CG-CG 4.24Å; S374-Q378 WeakPolarHBondContact O-CG 3.45Å; S374-Q378 PolarHBondContact O-N 3.18Å; S375-Q378 PolarHBondContact O-N 3.07Å; Q378-L381 PolarHBondContact O-N 3.34Å; Q378-R383 PolarHBondContact O-N 3.39Å
379T80Confident77.9Confident3 Ų329.1 Ų29.12%0.01815%0.15CC..Hα-helixtrans-60.5-46.4175.1-52.70000111.9S375 L376 V377 L381 G382 H384 L396 I397S375-T379 PolarHBondContact O-N 2.91Å; S375-T379 PolarHBondContact O-OG1 3.34Å; L376-T379 WeakPolarHBondContact O-CB 3.47Å; L376-T379 PolarHBondContact O-N 3.26Å; V377-T379 PolarHBondContact O-N 3.1Å; T379-L381 VanDerWaalsContact C-N 3.26Å; T379-L381 PolarHBondContact O-N 2.9Å; T379-G382 PolarHBondContact O-N 3.16Å; T379-H384 PolarHBondContact OG1-CD2 3.14Å; T379-H384 PolarHBondContact OG1-NE2 2.99Å; T379-L396 HydrophobicContact CG2-CB 3.87Å; T379-L396 VanDerWaalsContact CG2-N 3.25Å; T379-L396 VanDerWaalsContact OG1-CB 3.27Å; T379-L396 WeakPolarHBondContact OG1-CB 3.49Å; T379-I397 HydrophobicContact CG2-CD1 4.23Å; T379-I397 HydrophobicContact CG2-CG1 4.2Å
380R76.9Confident76.1Confident52 Ų5232.5 Ų32.520%0.19617%0.172CC..Hα-helixtrans-68.2-28.3-178.9-68.3-171.3178.8-76.8-1.7112.9L376 V377 G382 I397 N466 L467 C469L376-R380 PolarHBondContact O-N 2.69Å; V377-R380 PolarHBondContact O-N 2.87Å; V377-R380 VanDerWaalsContact O-N 3.07Å; R380-G382 PolarHBondContact O-N 2.94Å; R380-I397 HydrophobicContact CG-CD1 3.74Å; R380-N466 VanDerWaalsContact CZ-O 3.24Å; R380-N466 PolarHBondContact NE-O 3.42Å; R380-N466 PolarHBondContact NH2-O 3.43Å; R380-L467 VanDerWaalsContact NH2-C 3.26Å; R380-L467 PolarHBondContact NH2-O 2.96Å; R380-C469 PolarHBondContact NE-O 2.9Å; R380-C469 PolarHBondContact NH2-O 3.35Å
381L71.6Confident74.4Confident70 Ų7033.4 Ų33.437%0.36618%0.176SC..THydrogen-bonded Turntrans-75.82.6172.7-61.8176.9000113.1V377 Q378 T379 R383V377-L381 HydrophobicContact CG1-CD1 4.27Å; V377-L381 PolarHBondContact O-N 3.04Å; Q378-L381 PolarHBondContact O-N 3.34Å; T379-L381 VanDerWaalsContact C-N 3.26Å; T379-L381 PolarHBondContact O-N 2.9Å; L381-R383 HydrophobicContact CB-CG 4.15Å; L381-R383 PolarHBondContact O-N 3.05Å
382G69.7Low72.6Confident3 Ų334.9 Ų34.93%0.03118%0.183CC..THydrogen-bonded Turntrans7011.7-179.800000114.2T379 R380 H384 I385T379-G382 PolarHBondContact O-N 3.16Å; R380-G382 PolarHBondContact O-N 2.94Å; G382-H384 VanDerWaalsContact C-N 3.25Å; G382-H384 PolarHBondContact O-N 2.82Å; G382-I385 WeakPolarHBondContact O-CB 3.24Å; G382-I385 WeakPolarHBondContact O-CD1 3.42Å; G382-I385 WeakPolarHBondContact O-CG1 3.34Å; G382-I385 PolarHBondContact O-N 3.21Å
383R72.2Confident71.2Confident113 Ų11336.2 Ų36.243%0.42619%0.193SC..THydrogen-bonded Turntrans-73.5-17.1-174.1-71.2170.5172.3-167.5-2.8113.7L322 Q378 L381L322-R383 HydrophobicContact CD2-CB 4.25Å; Q378-R383 PolarHBondContact O-N 3.39Å; L381-R383 HydrophobicContact CB-CG 4.15Å; L381-R383 PolarHBondContact O-N 3.05Å
384H70.4Confident70Confident1 Ų136.3 Ų36.31%0.00519%0.194CC..THydrogen-bonded Turntrans-88-5.5177.7-64.3-29.7000114.7F317 G321 S375 T379 G382 R386 Y387 L388F317-H384 AromaticContact CE1-CE1 3.83Å; F317-H384 AromaticContact CE1-NE2 3.81Å; G321-H384 PolarHBondContact O-CE1 3.36Å; G321-H384 PolarHBondContact O-NE2 3.48Å; S375-H384 PolarHBondContact O-NE2 3.45Å; T379-H384 PolarHBondContact OG1-CD2 3.14Å; T379-H384 PolarHBondContact OG1-NE2 2.99Å; G382-H384 VanDerWaalsContact C-N 3.25Å; G382-H384 PolarHBondContact O-N 2.82Å; H384-R386 PolarHBondContact O-N 3.4Å; H384-Y387 PolarHBondContact O-N 3.22Å; H384-L388 HydrophobicContact CB-CD1 3.52Å; H384-L388 HydrophobicContact CB-CG 3.93Å; H384-L388 PolarHBondContact O-N 3.28Å
385I65.4Low69.4Low6 Ų635.1 Ų35.13%0.03119%0.186CC..THydrogen-bonded Turntrans-50.3-37.5-169.8-72.3167.4000113.1G382 P394 L912 L948 Y961G382-I385 WeakPolarHBondContact O-CB 3.24Å; G382-I385 WeakPolarHBondContact O-CD1 3.42Å; G382-I385 WeakPolarHBondContact O-CG1 3.34Å; G382-I385 PolarHBondContact O-N 3.21Å; I385-P394 HydrophobicContact CB-CB 4.48Å; I385-P394 HydrophobicContact CB-CG 3.98Å; I385-P394 HydrophobicContact CG1-CG 3.64Å; I385-P394 HydrophobicContact CG2-CG 4.05Å; I385-L912 HydrophobicContact CB-CD2 4.29Å; I385-L948 HydrophobicContact CD1-CD2 4.28Å; I385-L948 HydrophobicContact CG1-CD2 4.13Å; I385-Y961 HydrophobicContact CD1-CD1 4.3Å
386R59.1Low69.1Low79 Ų7935.3 Ų35.330%0.29819%0.186SC..THydrogen-bonded Turntrans-80.8-25-179.5-76.6-173.2-179.1166.60.6115.4H384 L912 P913 L971H384-R386 PolarHBondContact O-N 3.4Å; R386-L912 HydrophobicContact CB-CD2 4.49Å; R386-L912 HydrophobicContact CG-CB 4.17Å; R386-L912 HydrophobicContact CG-CD1 3.86Å; R386-L912 HydrophobicContact CG-CD2 4Å; R386-L912 HydrophobicContact CG-CG 4.22Å; R386-L912 PolarHBondContact NH1-O 3.01Å; R386-P913 PolarHBondContact NH1-O 3.35Å; R386-L971 HydrophobicContact CG-CB 4.32Å; R386-L971 PolarHBondContact NE-O 3.06Å; R386-L971 PolarHBondContact NH2-O 2.8Å
387Y64.3Low68.9Low64 Ų6435.3 Ų35.325%0.25119%0.186SC..THydrogen-bonded Turntrans-104.7-17.2-166.6-56.8-72.8000113.3V323 P325 H384V323-Y387 HydrophobicContact CB-CD2 4.02Å; V323-Y387 HydrophobicContact CB-CG 3.95Å; V323-Y387 HydrophobicContact CG1-CD1 4.33Å; V323-Y387 HydrophobicContact CG1-CG 3.96Å; P325-Y387 HydrophobicContact CG-CE1 4.42Å; H384-Y387 PolarHBondContact O-N 3.22Å
388L64.2Low68.6Low18 Ų1834.2 Ų34.29%0.09418%0.18CC..SBendtrans-102.1136.8179.9-64.5179.8000111.5A315 F317 H384 P394 L396A315-L388 HydrophobicContact CB-CD2 4.09Å; F317-L388 HydrophobicContact CZ-CD2 4.48Å; H384-L388 HydrophobicContact CB-CD1 3.52Å; H384-L388 HydrophobicContact CB-CG 3.93Å; H384-L388 PolarHBondContact O-N 3.28Å; L388-P394 HydrophobicContact CB-CB 4.37Å; L388-L396 HydrophobicContact CD1-CB 3.91Å
389A57.7Low68.5Low82 Ų8235.4 Ų35.468%0.67819%0.19SC*.SBendtrans-106.9146173.600000110.7
390P55.3Low68.7Low71 Ų7135.8 Ų35.846%0.46119%0.192SC..SBendcis-73.8146.1-1.830.9-33.9000112.2N392 S393P390-N392 PolarHBondContact O-N 2.98Å; P390-N392 VanDerWaalsContact O-N 3.08Å; P390-S393 CarbonylContact O-C 3.55Å; P390-S393 PolarHBondContact O-N 2.84Å
391V54Low68.9Low51 Ų5133.3 Ų33.331%0.30918%0.183SC..THydrogen-bonded Turntrans-55.1-29179.6172.30000112.5S393 P394 L971V391-S393 VanDerWaalsContact C-N 3.29Å; V391-S393 PolarHBondContact O-N 3.39Å; V391-P394 WeakPolarHBondContact O-CD 3.25Å; V391-L971 HydrophobicContact CB-CD1 4.48Å; V391-L971 HydrophobicContact CG1-CD1 3.42Å; V391-L971 VanDerWaalsContact CG1-CD1 3.42Å; V391-L971 HydrophobicContact CG1-CD2 3.72Å; V391-L971 HydrophobicContact CG1-CG 4.15Å; V391-L971 HydrophobicContact CG2-CD1 4.24Å
392N52.9Low68.9Low32 Ų3232.7 Ų32.717%0.17118%0.179CC..THydrogen-bonded Turntrans-73.3-20.8-177.2-65.527.5000113.4P390 Q1075P390-N392 PolarHBondContact O-N 2.98Å; P390-N392 VanDerWaalsContact O-N 3.08Å; N392-Q1075 PolarHBondContact ND2-NE2 2.99Å; N392-Q1075 PolarHBondContact ND2-OE1 3.36Å
393S61.4Low68.4Low35 Ų3534.1 Ų34.125%0.24519%0.189CC..SBendtrans-142.868.2176.964.80000109.8P390 V391 S395P390-S393 CarbonylContact O-C 3.55Å; P390-S393 PolarHBondContact O-N 2.84Å; V391-S393 VanDerWaalsContact C-N 3.29Å; V391-S393 PolarHBondContact O-N 3.39Å; S393-S395 PolarHBondContact O-N 2.99Å
394P64.2Low67.5Low2 Ų235 Ų351%0.01320%0.196CC..  trans-86.338.3-166.239.6-39.1000111.7I385 L388 V391 V946 L948I385-P394 HydrophobicContact CB-CB 4.48Å; I385-P394 HydrophobicContact CB-CG 3.98Å; I385-P394 HydrophobicContact CG1-CG 3.64Å; I385-P394 HydrophobicContact CG2-CG 4.05Å; L388-P394 HydrophobicContact CB-CB 4.37Å; V391-P394 WeakPolarHBondContact O-CD 3.25Å; P394-V946 VanDerWaalsContact CD-CG1 3.48Å; P394-V946 HydrophobicContact CG-CG1 3.96Å; P394-L948 HydrophobicContact CG-CD2 4.33Å
395S75.9Confident66.2Low0 Ų041.2 Ų41.20%023%0.229CC..  trans-101118.1179.448.10000110.1S393 I397 T398 C399 L948S393-S395 PolarHBondContact O-N 2.99Å; S395-I397 PolarHBondContact O-N 3.49Å; S395-T398 WeakPolarHBondContact O-CA 3.13Å; S395-T398 WeakPolarHBondContact O-CB 3.44Å; S395-T398 PolarHBondContact O-N 3.4Å; S395-T398 WeakPolarHBondContact OG-CB 3.5Å; S395-T398 PolarHBondContact OG-OG1 2.86Å; S395-C399 PolarHBondContact O-N 2.89Å; S395-L948 VanDerWaalsContact CB-O 3.22Å; S395-L948 WeakPolarHBondContact CB-O 3.24Å; S395-L948 PolarHBondContact OG-O 3.4Å
396L82.9Confident64.6Low4 Ų447 Ų472%0.02127%0.265CS..Hα-helixtrans-51-38.6171.1179.161.3000111.8F317 I350 T379 L388 T398 C399 L400F317-L396 HydrophobicContact CE1-CD2 4.32Å; F317-L396 HydrophobicContact CZ-CD1 4.28Å; F317-L396 HydrophobicContact CZ-CD2 4.25Å; I350-L396 HydrophobicContact CD1-CD1 3.37Å; I350-L396 HydrophobicContact CG1-CD1 4.26Å; T379-L396 HydrophobicContact CG2-CB 3.87Å; T379-L396 VanDerWaalsContact CG2-N 3.25Å; T379-L396 VanDerWaalsContact OG1-CB 3.27Å; T379-L396 WeakPolarHBondContact OG1-CB 3.49Å; L388-L396 HydrophobicContact CD1-CB 3.91Å; L396-T398 VanDerWaalsContact C-N 3.27Å; L396-T398 PolarHBondContact O-N 3.49Å; L396-C399 PolarHBondContact O-N 3.36Å; L396-L400 HydrophobicContact CD1-CD1 4.1Å; L396-L400 HydrophobicContact CD1-CG 4.19Å; L396-L400 HydrophobicContact CD2-CD1 4.37Å; L396-L400 HydrophobicContact CG-CD1 3.75Å; L396-L400 HydrophobicContact CG-CG 4.29Å; L396-L400 WeakPolarHBondContact O-CB 3.47Å; L396-L400 WeakPolarHBondContact O-CG 3.24Å; L396-L400 PolarHBondContact O-N 3.26Å
397I85.3Confident63.1Low2 Ų248 Ų481%0.0128%0.284CS..Hα-helixtrans-56-43.4176.2-64.3164.2000110.8L376 T379 R380 S395 L400 L401 L467 P950L376-I397 HydrophobicContact CD2-CG1 3.74Å; T379-I397 HydrophobicContact CG2-CD1 4.23Å; T379-I397 HydrophobicContact CG2-CG1 4.2Å; R380-I397 HydrophobicContact CG-CD1 3.74Å; S395-I397 PolarHBondContact O-N 3.49Å; I397-L400 PolarHBondContact O-N 3.37Å; I397-L401 HydrophobicContact CG2-CD1 3.79Å; I397-L401 HydrophobicContact CG2-CG 4.48Å; I397-L401 WeakPolarHBondContact O-CB 3.46Å; I397-L401 WeakPolarHBondContact O-CG 3.44Å; I397-L401 PolarHBondContact O-N 3.06Å; I397-L467 HydrophobicContact CG2-CD1 4.33Å; I397-P950 HydrophobicContact CG2-CG 3.91Å
398T77.2Confident61.4Low8 Ų848.4 Ų48.45%0.04930%0.296CS..Hα-helixtrans-64.8-46177.7-62.40000111.5S395 L396 L400 L401 L402 P950S395-T398 WeakPolarHBondContact O-CA 3.13Å; S395-T398 WeakPolarHBondContact O-CB 3.44Å; S395-T398 PolarHBondContact O-N 3.4Å; S395-T398 WeakPolarHBondContact OG-CB 3.5Å; S395-T398 PolarHBondContact OG-OG1 2.86Å; L396-T398 VanDerWaalsContact C-N 3.27Å; L396-T398 PolarHBondContact O-N 3.49Å; T398-L400 VanDerWaalsContact C-N 3.25Å; T398-L400 PolarHBondContact O-N 3.02Å; T398-L401 PolarHBondContact O-N 2.93Å; T398-L402 HydrophobicContact CG2-CD1 3.27Å; T398-L402 HydrophobicContact CG2-CG 3.77Å; T398-L402 VanDerWaalsContact O-CB 3.3Å; T398-L402 WeakPolarHBondContact O-CB 3.38Å; T398-L402 VanDerWaalsContact O-CG 3.24Å; T398-L402 WeakPolarHBondContact O-CG 3.43Å; T398-L402 PolarHBondContact O-N 3.31Å; T398-P950 HydrophobicContact CG2-CB 4.38Å; T398-P950 VanDerWaalsContact OG1-CA 3.23Å; T398-P950 WeakPolarHBondContact OG1-CA 3.42Å; T398-P950 WeakPolarHBondContact OG1-CB 3.47Å
399C78Confident59.8Low48 Ų4856.6 Ų56.632%0.32433%0.334SS..Hα-helixtrans-60.7-34.9175.4-60.10000112.8S395 L396 G418S395-C399 PolarHBondContact O-N 2.89Å; L396-C399 PolarHBondContact O-N 3.36Å; C399-G418 PolarHBondContact O-N 2.78Å
400L84Confident58.5Low11 Ų1157 Ų576%0.05832%0.324CS..Hα-helixtrans-78.5-30.4-178.3-71.1171.4000113.8I350 F354 L376 L396 I397 T398 G418 I422I350-L400 HydrophobicContact CG2-CD2 4.19Å; F354-L400 HydrophobicContact CZ-CD2 3.82Å; L376-L400 HydrophobicContact CD2-CD1 3.94Å; L396-L400 HydrophobicContact CD1-CD1 4.1Å; L396-L400 HydrophobicContact CD1-CG 4.19Å; L396-L400 HydrophobicContact CD2-CD1 4.37Å; L396-L400 HydrophobicContact CG-CD1 3.75Å; L396-L400 HydrophobicContact CG-CG 4.29Å; L396-L400 WeakPolarHBondContact O-CB 3.47Å; L396-L400 WeakPolarHBondContact O-CG 3.24Å; L396-L400 PolarHBondContact O-N 3.26Å; I397-L400 PolarHBondContact O-N 3.37Å; T398-L400 VanDerWaalsContact C-N 3.25Å; T398-L400 PolarHBondContact O-N 3.02Å; L400-G418 CarbonylContact O-C 3.58Å; L400-G418 WeakPolarHBondContact O-CA 3.34Å; L400-I422 HydrophobicContact CB-CG2 4.17Å; L400-I422 HydrophobicContact CD1-CD1 3.75Å; L400-I422 HydrophobicContact CD2-CD1 4.31Å
401L81.3Confident57.3Low0 Ų059.2 Ų59.20%034%0.338CS..Hα-helixtrans-100.3-27.3-175.4-67.4178.1000114.3I397 T398 I422 L423 L467 A523 P526 P950 L953I397-L401 HydrophobicContact CG2-CD1 3.79Å; I397-L401 HydrophobicContact CG2-CG 4.48Å; I397-L401 WeakPolarHBondContact O-CB 3.46Å; I397-L401 WeakPolarHBondContact O-CG 3.44Å; I397-L401 PolarHBondContact O-N 3.06Å; T398-L401 PolarHBondContact O-N 2.93Å; L401-I422 HydrophobicContact CD2-CG2 4.29Å; L401-L423 HydrophobicContact CD2-CD1 4.08Å; L401-L423 HydrophobicContact CD2-CG 4.23Å; L401-L467 HydrophobicContact CD1-CD1 4.33Å; L401-L467 HydrophobicContact CD1-CG 4.48Å; L401-L467 HydrophobicContact CD2-CD1 4.37Å; L401-L467 HydrophobicContact CD2-CD2 4.26Å; L401-L467 HydrophobicContact CD2-CG 4.4Å; L401-L467 HydrophobicContact CG-CD1 4.27Å; L401-A523 WeakPolarHBondContact O-CA 3.46Å; L401-A523 WeakPolarHBondContact O-CB 3.25Å; L401-P526 HydrophobicContact CD1-CG 4.41Å; L401-P526 HydrophobicContact CD2-CB 4.3Å; L401-P950 HydrophobicContact CD1-CG 4.21Å; L401-L953 HydrophobicContact CD1-CD1 4.14Å
402L70.7Confident56.3Low56 Ų5662.4 Ų62.429%0.29335%0.354SS..  trans-60.8143.9-175.4-82.9172.8000113.5T398 G417 C419 S951T398-L402 HydrophobicContact CG2-CD1 3.27Å; T398-L402 HydrophobicContact CG2-CG 3.77Å; T398-L402 VanDerWaalsContact O-CB 3.3Å; T398-L402 WeakPolarHBondContact O-CB 3.38Å; T398-L402 VanDerWaalsContact O-CG 3.24Å; T398-L402 WeakPolarHBondContact O-CG 3.43Å; T398-L402 PolarHBondContact O-N 3.31Å; L402-G417 CarbonylContact O-C 3.47Å; L402-C419 WeakPolarHBondContact O-CA 3.29Å; L402-C419 PolarHBondContact O-N 2.94Å; L402-S951 WeakPolarHBondContact CD2-OG 3.32Å
403S61.2Low55.3Low33 Ų3364.1 Ų64.123%0.23137%0.372CS..  trans-74.3160.1172.6-173.70000111.9N405S403-N405 PolarHBondContact O-N 3.42Å
404K53.4Low54.1Low133 Ų13369.8 Ų69.858%0.57840%0.4SS*.  trans-60.9115.3167.1-79169.4-175.8175.70108.7T406K404-T406 PolarHBondContact O-N 3.41Å
405N42.6Very low52.8Low131 Ų13175.3 Ų75.370%0.70143%0.425SS*.  trans-65102.1164.2-79.2-3.4000108.1S403 S407S403-N405 PolarHBondContact O-N 3.42Å; N405-S407 PolarHBondContact O-N 3.09Å
406T30.8Very low51.2Low126 Ų12681.1 Ų81.177%0.77346%0.461SS*.  trans-76.9115168.943.70000108.5K404K404-T406 PolarHBondContact O-N 3.41Å
407S27.6Very low49.7Very low100 Ų10082.2 Ų82.270%0.69947%0.473SS*.  trans125.489.9162.665.20000115.2N405N405-S407 PolarHBondContact O-N 3.09Å
408S28.2Very low48.5Very low74 Ų7483.7 Ų83.752%0.51749%0.489SS..  172.5137.1129.9-176.40000110.1I410S408-I410 PolarHBondContact O-N 3.08Å
409E30.7Very low48.2Very low189 Ų18984.4 Ų84.488%0.88349%0.494SS*.  trans-70.251.1-170.7-59.5173.6150.700114.5P411E409-P411 WeakPolarHBondContact O-CD 3.44Å
410I30.3Very low48.1Very low92 Ų9282.1 Ų82.147%0.47248%0.478SS..  trans-101.8102164.7-54.4173.8000106.8S408 N412S408-I410 PolarHBondContact O-N 3.08Å; I410-N412 PolarHBondContact O-N 3.29Å
411P30.4Very low48Very low117 Ų11783.1 Ų83.176%0.7649%0.492SS*.THydrogen-bonded Turntrans-69.2-6.9-169.2-18.231.6000115E409E409-P411 WeakPolarHBondContact O-CD 3.44Å
412N33.4Very low48.4Very low118 Ų11883.2 Ų83.263%0.63149%0.492SS*.THydrogen-bonded Turntrans-122.59.5-164-67.4-8.7000116.1I410I410-N412 PolarHBondContact O-N 3.29Å
413A31.6Very low49.3Very low67 Ų6780.6 Ų80.655%0.55448%0.478SS*.SBendtrans-105.295.3174.700000110.9Q415A413-Q415 WeakPolarHBondContact O-CG 3.4Å; A413-Q415 PolarHBondContact O-N 3.47Å
414N36.1Very low50.6Low154 Ų15482.4 Ų82.482%0.82448%0.482SS*.  trans-1.780.1169.4-62.3-10000116.5T416N414-T416 VanDerWaalsContact C-N 3.27Å; N414-T416 PolarHBondContact O-N 3.36Å; N414-T416 VanDerWaalsContact O-N 3.16Å
415Q36.9Very low52.4Low119 Ų11977.2 Ų77.256%0.55646%0.461SS*.  trans-84.633.7-176.3-63.3-174.2-5.100114.3A413A413-Q415 WeakPolarHBondContact O-CG 3.4Å; A413-Q415 PolarHBondContact O-N 3.47Å
416T42.3Very low54.8Low122 Ų12271 Ų7175%0.74843%0.428SS*.  trans-117.272.4-173.7610000112N414N414-T416 VanDerWaalsContact C-N 3.27Å; N414-T416 PolarHBondContact O-N 3.36Å; N414-T416 VanDerWaalsContact O-N 3.16Å
417G51.5Low57.7Low27 Ų2766.4 Ų66.428%0.27840%0.396SS..  trans-62.6146.2159.400000110L402 C419L402-G417 CarbonylContact O-C 3.47Å; G417-C419 PolarHBondContact O-N 2.97Å; G417-C419 PolarHBondContact O-SG 3.39Å
418G60.4Low60.7Low33 Ų3367.4 Ų67.434%0.3439%0.385SS..  trans-62.8-10.6-176.200000115.1C399 L400 G420 G421C399-G418 PolarHBondContact O-N 2.78Å; L400-G418 CarbonylContact O-C 3.58Å; L400-G418 WeakPolarHBondContact O-CA 3.34Å; G418-G420 PolarHBondContact O-N 3.17Å; G418-G420 VanDerWaalsContact O-N 3.1Å; G418-G421 PolarHBondContact O-N 3.14Å
419C70.2Confident63.7Low22 Ų2264 Ų6415%0.14936%0.36CS..THydrogen-bonded Turntrans48.437177-59.30000113.5L402 G417 G421L402-C419 WeakPolarHBondContact O-CA 3.29Å; L402-C419 PolarHBondContact O-N 2.94Å; G417-C419 PolarHBondContact O-N 2.97Å; G417-C419 PolarHBondContact O-SG 3.39Å; C419-G421 PolarHBondContact O-N 3.33Å; C419-G421 VanDerWaalsContact O-N 3.13Å
420G75.6Confident66.6Low0 Ų055.1 Ų55.10%032%0.319CS..THydrogen-bonded Turntrans68.16.6-176.700000114.9G418 I422 L423 F424G418-G420 PolarHBondContact O-N 3.17Å; G418-G420 VanDerWaalsContact O-N 3.1Å; G420-I422 PolarHBondContact O-N 3.09Å; G420-I422 VanDerWaalsContact O-N 3.1Å; G420-L423 VanDerWaalsContact O-CB 3.29Å; G420-L423 WeakPolarHBondContact O-CB 3.27Å; G420-L423 PolarHBondContact O-N 3.29Å; G420-F424 WeakPolarHBondContact O-CD2 3.34Å
421G82.8Confident69.5Low33 Ų3353 Ų5334%0.3431%0.309SS..Hα-helixtrans-54.8-31.7-177.900000114.1G418 C419 L423 F424 L425G418-G421 PolarHBondContact O-N 3.14Å; C419-G421 PolarHBondContact O-N 3.33Å; C419-G421 VanDerWaalsContact O-N 3.13Å; G421-L423 PolarHBondContact O-N 2.81Å; G421-F424 PolarHBondContact O-N 3.28Å; G421-L425 PolarHBondContact O-N 3.32Å; G421-L425 VanDerWaalsContact O-N 3.07Å
422I89.2Confident72.3Confident2 Ų250.3 Ų50.31%0.0129%0.286CS..Hα-helixtrans-60.6-32.4174.8-170.8167.6000112.7F354 L400 L401 G420 L425 L426 L467F354-I422 HydrophobicContact CE1-CD1 4.29Å; F354-I422 HydrophobicContact CE1-CG1 4.38Å; F354-I422 HydrophobicContact CZ-CB 4.24Å; F354-I422 HydrophobicContact CZ-CD1 4.39Å; F354-I422 HydrophobicContact CZ-CG1 4.36Å; L400-I422 HydrophobicContact CB-CG2 4.17Å; L400-I422 HydrophobicContact CD1-CD1 3.75Å; L400-I422 HydrophobicContact CD2-CD1 4.31Å; L401-I422 HydrophobicContact CD2-CG2 4.29Å; G420-I422 PolarHBondContact O-N 3.09Å; G420-I422 VanDerWaalsContact O-N 3.1Å; I422-L425 PolarHBondContact O-N 3.48Å; I422-L426 HydrophobicContact CD1-CD1 4.43Å; I422-L426 HydrophobicContact CG1-CD1 3.96Å; I422-L426 HydrophobicContact CG1-CG 4.17Å; I422-L426 WeakPolarHBondContact O-CB 3.24Å; I422-L426 WeakPolarHBondContact O-CG 3.46Å; I422-L426 PolarHBondContact O-N 3.43Å; I422-L467 HydrophobicContact CG2-CD1 4.37Å; I422-L467 HydrophobicContact CG2-CD2 3.72Å
423L90.1Very high74.9Confident0 Ų044.7 Ų44.70%026%0.256CS..Hα-helixtrans-66.8-41.7178.2-64.3171.1000110.8L401 G420 G421 R427 L464 L467 I468 A522 P526 F529 L530L401-L423 HydrophobicContact CD2-CD1 4.08Å; L401-L423 HydrophobicContact CD2-CG 4.23Å; G420-L423 VanDerWaalsContact O-CB 3.29Å; G420-L423 WeakPolarHBondContact O-CB 3.27Å; G420-L423 PolarHBondContact O-N 3.29Å; G421-L423 PolarHBondContact O-N 2.81Å; L423-R427 WeakPolarHBondContact O-CB 3.45Å; L423-R427 PolarHBondContact O-N 3.47Å; L423-L464 HydrophobicContact CD2-CD2 4.25Å; L423-L467 HydrophobicContact CD2-CD2 3.42Å; L423-L467 VanDerWaalsContact CD2-CD2 3.42Å; L423-L467 HydrophobicContact CG-CD2 4.17Å; L423-I468 HydrophobicContact CD2-CD1 4.08Å; L423-A522 HydrophobicContact CD1-CB 4.17Å; L423-P526 HydrophobicContact CD1-CB 3.6Å; L423-F529 HydrophobicContact CB-CD1 4.37Å; L423-F529 HydrophobicContact CB-CE1 4.13Å; L423-F529 HydrophobicContact CD1-CD1 4.14Å; L423-L530 HydrophobicContact CB-CD2 4.28Å; L423-L530 HydrophobicContact CD2-CD1 3.98Å; L423-L530 HydrophobicContact CD2-CD2 3.99Å; L423-L530 HydrophobicContact CD2-CG 4Å
424F88.5Confident77.6Confident72 Ų7241.5 Ų41.532%0.31623%0.23SC..Hα-helixtrans-63.9-44.3174.6-64-91.7000111.5G420 G421 R427 W428 D518 A522 F529G420-F424 WeakPolarHBondContact O-CD2 3.34Å; G421-F424 PolarHBondContact O-N 3.28Å; F424-R427 PolarHBondContact O-N 2.73Å; F424-W428 VanDerWaalsContact O-CB 3.25Å; F424-W428 WeakPolarHBondContact O-CB 3.29Å; F424-W428 PolarHBondContact O-N 3.32Å; F424-D518 HydrophobicContact CE1-CB 4.04Å; F424-D518 HydrophobicContact CZ-CB 3.77Å; F424-A522 HydrophobicContact CE2-CB 3.88Å; F424-A522 HydrophobicContact CZ-CB 4.34Å; F424-F529 AromaticContact CD1-CZ 3.97Å; F424-F529 HydrophobicContact CD1-CZ 3.97Å; F424-F529 HydrophobicContact CD2-CZ 4.45Å; F424-F529 HydrophobicContact CE1-CE1 4.36Å; F424-F529 AromaticContact CE1-CE2 3.88Å; F424-F529 HydrophobicContact CE1-CE2 3.88Å; F424-F529 AromaticContact CE1-CZ 3.36Å; F424-F529 HydrophobicContact CE1-CZ 3.36Å; F424-F529 HydrophobicContact CE2-CE1 4.34Å; F424-F529 HydrophobicContact CE2-CE2 4.42Å; F424-F529 AromaticContact CE2-CZ 3.9Å; F424-F529 HydrophobicContact CE2-CZ 3.9Å; F424-F529 HydrophobicContact CG-CZ 4.48Å; F424-F529 HydrophobicContact CZ-CE1 4.17Å; F424-F529 AromaticContact CZ-CE2 3.62Å; F424-F529 HydrophobicContact CZ-CE2 3.62Å; F424-F529 AromaticContact CZ-CZ 3.31Å; F424-F529 HydrophobicContact CZ-CZ 3.31Å
425L90.8Very high80Confident24 Ų2437.2 Ų37.213%0.12621%0.212CC..Hα-helixtrans-60.4-52.3178.3-178.667.2000111.4F354 C357 R358 G421 I422 R427 W428 C429F354-L425 HydrophobicContact CB-CD2 4.19Å; F354-L425 HydrophobicContact CD1-CD2 3.59Å; F354-L425 HydrophobicContact CE1-CD2 4.05Å; F354-L425 HydrophobicContact CG-CD2 3.87Å; C357-L425 HydrophobicContact CB-CD1 4.2Å; C357-L425 HydrophobicContact CB-CD2 4.07Å; C357-L425 HydrophobicContact CB-CG 4.35Å; R358-L425 HydrophobicContact CG-CD1 3.87Å; G421-L425 PolarHBondContact O-N 3.32Å; G421-L425 VanDerWaalsContact O-N 3.07Å; I422-L425 PolarHBondContact O-N 3.48Å; L425-R427 VanDerWaalsContact C-N 3.34Å; L425-R427 PolarHBondContact O-N 3.15Å; L425-W428 PolarHBondContact O-N 3.11Å; L425-C429 PolarHBondContact O-N 3.04Å; L425-C429 PolarHBondContact O-SG 2.74Å
426L93Very high82.2Confident1 Ų134 Ų341%0.00520%0.201CC..Hα-helixtrans-64.3-39.2180-71174.8000111.8I369 I422 C429 L430 C463 L464 L467I369-L426 HydrophobicContact CG2-CD2 4.32Å; I422-L426 HydrophobicContact CD1-CD1 4.43Å; I422-L426 HydrophobicContact CG1-CD1 3.96Å; I422-L426 HydrophobicContact CG1-CG 4.17Å; I422-L426 WeakPolarHBondContact O-CB 3.24Å; I422-L426 WeakPolarHBondContact O-CG 3.46Å; I422-L426 PolarHBondContact O-N 3.43Å; L426-C429 PolarHBondContact O-N 3.48Å; L426-L430 VanDerWaalsContact O-CB 3.32Å; L426-L430 WeakPolarHBondContact O-CB 3.27Å; L426-L430 PolarHBondContact O-N 2.93Å; L426-C463 HydrophobicContact CD1-CB 3.79Å; L426-C463 HydrophobicContact CD2-CB 3.69Å; L426-C463 HydrophobicContact CG-CB 4.42Å; L426-L464 HydrophobicContact CB-CD2 3.85Å; L426-L464 HydrophobicContact CB-CG 4.17Å; L426-L464 HydrophobicContact CD1-CD2 3.88Å; L426-L464 HydrophobicContact CD1-CG 4.21Å; L426-L467 HydrophobicContact CD1-CD2 4.36Å
427R91.6Very high83.9Confident28 Ų2828.4 Ų28.411%0.10617%0.166CC..Hα-helixtrans-62.6-44.1175.1-175.173.7-172.5105.532.1111.3L423 F424 L425 L430 D431 S534 R539L423-R427 WeakPolarHBondContact O-CB 3.45Å; L423-R427 PolarHBondContact O-N 3.47Å; F424-R427 PolarHBondContact O-N 2.73Å; L425-R427 VanDerWaalsContact C-N 3.34Å; L425-R427 PolarHBondContact O-N 3.15Å; R427-L430 PolarHBondContact O-N 2.78Å; R427-D431 IonicContact CZ-OD1 3.67Å; R427-D431 VanDerWaalsContact CZ-OD1 3.27Å; R427-D431 IonicContact CZ-OD2 2.73Å; R427-D431 IonicContact NH1-OD1 2.67Å; R427-D431 PolarHBondContact NH1-OD1 3.39Å; R427-D431 IonicContact NH2-OD1 3.18Å; R427-D431 PolarHBondContact NH2-OD1 2.86Å; R427-D431 IonicContact NH2-OD2 3.99Å; R427-D431 PolarHBondContact NH2-OD2 2.88Å; R427-D431 VanDerWaalsContact NH2-OD2 3.07Å; R427-D431 PolarHBondContact O-N 2.86Å; R427-S534 WeakPolarHBondContact CD-OG 3.38Å; R427-S534 PolarHBondContact NE-O 2.86Å; R427-S534 VanDerWaalsContact NE-O 3.13Å; R427-S534 PolarHBondContact NE-OG 3.42Å; R427-R539 VanDerWaalsContact NH1-CB 3.27Å
428W90.3Very high85.2Confident122 Ų12228.6 Ų28.646%0.46216%0.161SC..Hα-helixtrans-64.6-46.9176.9176.885.3000111.8R358 F424 L425 L430 D431 E432R358-W428 HydrophobicContact CB-CZ3 4.44Å; R358-W428 HydrophobicContact CG-CZ3 4.23Å; F424-W428 VanDerWaalsContact O-CB 3.25Å; F424-W428 WeakPolarHBondContact O-CB 3.29Å; F424-W428 PolarHBondContact O-N 3.32Å; L425-W428 PolarHBondContact O-N 3.11Å; W428-L430 VanDerWaalsContact C-N 3.29Å; W428-L430 PolarHBondContact O-N 2.98Å; W428-D431 PolarHBondContact O-N 3.07Å; W428-D431 VanDerWaalsContact O-N 3.12Å; W428-E432 WeakPolarHBondContact CH2-OE2 3.27Å; W428-E432 WeakPolarHBondContact CZ2-OE2 3.39Å; W428-E432 WeakPolarHBondContact CZ3-OE2 3.36Å; W428-E432 PolarHBondContact O-N 3.48Å
429C92.3Very high85.9Confident1 Ų130.1 Ų30.11%0.00717%0.167CC..Hα-helixtrans-58.7-41.6175.9-68.80000111.8I369 L425 L426 A433I369-C429 HydrophobicContact CD1-CB 4.07Å; L425-C429 PolarHBondContact O-N 3.04Å; L425-C429 PolarHBondContact O-SG 2.74Å; L426-C429 PolarHBondContact O-N 3.48Å; C429-A433 VanDerWaalsContact O-CB 3.28Å; C429-A433 WeakPolarHBondContact O-CB 3.28Å; C429-A433 PolarHBondContact O-N 3.22Å
430L92.3Very high85.6Confident4 Ų431.1 Ų31.12%0.02117%0.173CC..Hα-helixtrans-62.7-45.7174.817964.9000111.2L426 R427 W428 E432 A433 V434 V457 C460 L464 L536L426-L430 VanDerWaalsContact O-CB 3.32Å; L426-L430 WeakPolarHBondContact O-CB 3.27Å; L426-L430 PolarHBondContact O-N 2.93Å; R427-L430 PolarHBondContact O-N 2.78Å; W428-L430 VanDerWaalsContact C-N 3.29Å; W428-L430 PolarHBondContact O-N 2.98Å; L430-E432 PolarHBondContact O-N 3.26Å; L430-A433 PolarHBondContact O-N 3.01Å; L430-V434 HydrophobicContact CD1-CG2 4.15Å; L430-V434 HydrophobicContact CG-CG2 4.43Å; L430-V434 WeakPolarHBondContact O-CB 3.42Å; L430-V434 VanDerWaalsContact O-CG2 3.23Å; L430-V434 WeakPolarHBondContact O-CG2 3.27Å; L430-V434 PolarHBondContact O-N 3.33Å; L430-V457 HydrophobicContact CD1-CB 4.28Å; L430-V457 HydrophobicContact CD1-CG1 3.84Å; L430-V457 HydrophobicContact CD1-CG2 4.2Å; L430-C460 HydrophobicContact CB-CB 4.01Å; L430-C460 HydrophobicContact CD1-CB 4.09Å; L430-L464 HydrophobicContact CD2-CD1 4.43Å; L430-L536 HydrophobicContact CD2-CD1 3.71Å
431D89.6Confident84.8Confident47 Ų4735.4 Ų35.425%0.25120%0.196SC..Hα-helixtrans-64.5-41.2-178.6-78.5-17.7000112.4R427 W428 V434 S435 R539R427-D431 IonicContact CZ-OD1 3.67Å; R427-D431 VanDerWaalsContact CZ-OD1 3.27Å; R427-D431 IonicContact CZ-OD2 2.73Å; R427-D431 IonicContact NH1-OD1 2.67Å; R427-D431 PolarHBondContact NH1-OD1 3.39Å; R427-D431 IonicContact NH2-OD1 3.18Å; R427-D431 PolarHBondContact NH2-OD1 2.86Å; R427-D431 IonicContact NH2-OD2 3.99Å; R427-D431 PolarHBondContact NH2-OD2 2.88Å; R427-D431 VanDerWaalsContact NH2-OD2 3.07Å; R427-D431 PolarHBondContact O-N 2.86Å; W428-D431 PolarHBondContact O-N 3.07Å; W428-D431 VanDerWaalsContact O-N 3.12Å; D431-V434 PolarHBondContact O-N 3.22Å; D431-S435 WeakPolarHBondContact O-CB 3.4Å; D431-S435 PolarHBondContact O-N 3.23Å; D431-R539 PolarHBondContact O-NH2 2.88Å; D431-R539 VanDerWaalsContact OD1-CD 3.27Å; D431-R539 WeakPolarHBondContact OD1-CD 3.31Å; D431-R539 VanDerWaalsContact OD1-CG 3.31Å; D431-R539 WeakPolarHBondContact OD1-CG 3.19Å; D431-R539 IonicContact OD1-CZ 3.12Å; D431-R539 IonicContact OD1-NE 3.64Å; D431-R539 PolarHBondContact OD1-NE 3.35Å
432E89.8Confident83.3Confident60 Ų6038.1 Ų38.128%0.2821%0.209SC..Hα-helixtrans-66.5-42.8175.5-160.7-164.9147.900111.8R365 W428 L430 V434 S435 T436R365-E432 IonicContact CZ-OE1 2.87Å; R365-E432 IonicContact CZ-OE2 3.13Å; R365-E432 IonicContact NH1-OE1 3.43Å; R365-E432 PolarHBondContact NH1-OE1 2.84Å; R365-E432 IonicContact NH1-OE2 3.4Å; R365-E432 PolarHBondContact NH1-OE2 2.86Å; R365-E432 VanDerWaalsContact NH1-OE2 3.12Å; R365-E432 IonicContact NH2-OE1 2.72Å; R365-E432 IonicContact NH2-OE2 3.21Å; R365-E432 PolarHBondContact NH2-OE2 3.43Å; W428-E432 WeakPolarHBondContact CH2-OE2 3.27Å; W428-E432 WeakPolarHBondContact CZ2-OE2 3.39Å; W428-E432 WeakPolarHBondContact CZ3-OE2 3.36Å; W428-E432 PolarHBondContact O-N 3.48Å; L430-E432 PolarHBondContact O-N 3.26Å; E432-V434 PolarHBondContact O-N 3.07Å; E432-S435 PolarHBondContact O-N 3.33Å; E432-T436 WeakPolarHBondContact O-CG2 3.37Å; E432-T436 PolarHBondContact O-N 3.19Å; E432-T436 PolarHBondContact O-OG1 2.87Å; E432-T436 VanDerWaalsContact O-OG1 3.12Å
433A88.7Confident81.1Confident0 Ų043.1 Ų43.10%024%0.24CC..Hα-helixtrans-63.4-40.517700000112.2C429 L430 T436 L437 L456 V457C429-A433 VanDerWaalsContact O-CB 3.28Å; C429-A433 WeakPolarHBondContact O-CB 3.28Å; C429-A433 PolarHBondContact O-N 3.22Å; L430-A433 PolarHBondContact O-N 3.01Å; A433-T436 WeakPolarHBondContact CA-OG1 3.5Å; A433-T436 PolarHBondContact O-OG1 2.9Å; A433-L437 WeakPolarHBondContact O-CG 3.45Å; A433-L437 PolarHBondContact O-N 2.92Å; A433-L437 VanDerWaalsContact O-N 3.07Å; A433-L456 HydrophobicContact CB-CB 3.89Å; A433-V457 HydrophobicContact CB-CG2 3.6Å
434V87.2Confident78.7Confident1 Ų147.4 Ų47.41%0.00628%0.284CS..Hα-helixtrans-66.4-40.2174174.20000111.1L430 D431 E432 L437 T438 V457 L543L430-V434 HydrophobicContact CD1-CG2 4.15Å; L430-V434 HydrophobicContact CG-CG2 4.43Å; L430-V434 WeakPolarHBondContact O-CB 3.42Å; L430-V434 VanDerWaalsContact O-CG2 3.23Å; L430-V434 WeakPolarHBondContact O-CG2 3.27Å; L430-V434 PolarHBondContact O-N 3.33Å; D431-V434 PolarHBondContact O-N 3.22Å; E432-V434 PolarHBondContact O-N 3.07Å; V434-L437 PolarHBondContact O-N 3.22Å; V434-T438 WeakPolarHBondContact O-CG2 3.48Å; V434-T438 PolarHBondContact O-N 2.64Å; V434-T438 PolarHBondContact O-OG1 3.34Å; V434-V457 HydrophobicContact CG2-CG2 3.94Å; V434-L543 HydrophobicContact CG2-CD1 4.23Å
435S86Confident76.2Confident64 Ų6447.2 Ų47.245%0.44830%0.302SS..Hα-helixtrans-62.1-47.4178-168.90000111.6D431 E432 L437 T438 S439D431-S435 WeakPolarHBondContact O-CB 3.4Å; D431-S435 PolarHBondContact O-N 3.23Å; E432-S435 PolarHBondContact O-N 3.33Å; S435-L437 VanDerWaalsContact C-N 3.35Å; S435-L437 PolarHBondContact O-N 2.86Å; S435-T438 WeakPolarHBondContact CA-OG1 3.33Å; S435-T438 PolarHBondContact O-N 2.93Å; S435-T438 VanDerWaalsContact O-N 3.16Å; S435-T438 PolarHBondContact O-OG1 2.82Å; S435-S439 PolarHBondContact O-N 3.3Å; S435-S439 PolarHBondContact O-OG 2.82Å
436T83.1Confident73.5Confident52 Ų5251.1 Ų51.132%0.31932%0.323SS..Hα-helixtrans-62.2-40.8177.653.40000111.8E432 A433 T438 S439 T440 S453E432-T436 WeakPolarHBondContact O-CG2 3.37Å; E432-T436 PolarHBondContact O-N 3.19Å; E432-T436 PolarHBondContact O-OG1 2.87Å; E432-T436 VanDerWaalsContact O-OG1 3.12Å; A433-T436 WeakPolarHBondContact CA-OG1 3.5Å; A433-T436 PolarHBondContact O-OG1 2.9Å; T436-T438 PolarHBondContact O-N 3.04Å; T436-S439 WeakPolarHBondContact CA-OG 3.13Å; T436-S439 PolarHBondContact O-N 2.88Å; T436-S439 PolarHBondContact O-OG 3.37Å; T436-T440 WeakPolarHBondContact O-CG2 3.44Å; T436-T440 PolarHBondContact O-N 3.47Å; T436-T440 PolarHBondContact O-OG1 3.23Å; T436-S453 WeakPolarHBondContact OG1-CB 3.48Å
437L79.3Confident71.1Confident4 Ų462.6 Ų62.62%0.02137%0.366CS..Hα-helixtrans-59.2-43.8171.8-78.7166.2000113.1A433 V434 S435 S439 T440 N441 G450 S453 L454 V457 L543 V553A433-L437 WeakPolarHBondContact O-CG 3.45Å; A433-L437 PolarHBondContact O-N 2.92Å; A433-L437 VanDerWaalsContact O-N 3.07Å; V434-L437 PolarHBondContact O-N 3.22Å; S435-L437 VanDerWaalsContact C-N 3.35Å; S435-L437 PolarHBondContact O-N 2.86Å; L437-S439 VanDerWaalsContact C-N 3.3Å; L437-S439 PolarHBondContact O-N 3.26Å; L437-T440 PolarHBondContact O-N 3.28Å; L437-T440 PolarHBondContact O-OG1 3.16Å; L437-T440 VanDerWaalsContact O-OG1 3.09Å; L437-N441 PolarHBondContact O-N 3.49Å; L437-G450 WeakPolarHBondContact CD2-O 3.4Å; L437-S453 WeakPolarHBondContact CD2-OG 3.32Å; L437-S453 VanDerWaalsContact CG-OG 3.29Å; L437-S453 WeakPolarHBondContact CG-OG 3.34Å; L437-L454 HydrophobicContact CD2-CB 4.18Å; L437-V457 HydrophobicContact CD1-CB 4.46Å; L437-V457 HydrophobicContact CD1-CG2 3.59Å; L437-L543 HydrophobicContact CD1-CD1 4.46Å; L437-V553 HydrophobicContact CD1-CG2 4.44Å
438T78.6Confident68.8Low30 Ų3068 Ų6818%0.18440%0.397CS..Hα-helixtrans-65.3-3517954.20000112.4V434 S435 T436 S442 A551V434-T438 WeakPolarHBondContact O-CG2 3.48Å; V434-T438 PolarHBondContact O-N 2.64Å; V434-T438 PolarHBondContact O-OG1 3.34Å; S435-T438 WeakPolarHBondContact CA-OG1 3.33Å; S435-T438 PolarHBondContact O-N 2.93Å; S435-T438 VanDerWaalsContact O-N 3.16Å; S435-T438 PolarHBondContact O-OG1 2.82Å; T436-T438 PolarHBondContact O-N 3.04Å; T438-S442 PolarHBondContact O-N 3.11Å; T438-A551 HydrophobicContact CG2-CB 3.78Å
439S74.1Confident66.6Low65 Ų6564.4 Ų64.446%0.45539%0.394SS..Hα-helixtrans-73.5-30.9176.356.80000113.8S435 T436 L437 S442S435-S439 PolarHBondContact O-N 3.3Å; S435-S439 PolarHBondContact O-OG 2.82Å; T436-S439 WeakPolarHBondContact CA-OG 3.13Å; T436-S439 PolarHBondContact O-N 2.88Å; T436-S439 PolarHBondContact O-OG 3.37Å; L437-S439 VanDerWaalsContact C-N 3.3Å; L437-S439 PolarHBondContact O-N 3.26Å; S439-S442 PolarHBondContact O-OG 2.96Å
440T64.3Low64.8Low44 Ų4464.9 Ų64.927%0.2740%0.399SS..Hα-helixtrans-80.3-35178.653.70000111.9T436 L437 S442 V443T436-T440 WeakPolarHBondContact O-CG2 3.44Å; T436-T440 PolarHBondContact O-N 3.47Å; T436-T440 PolarHBondContact O-OG1 3.23Å; L437-T440 PolarHBondContact O-N 3.28Å; L437-T440 PolarHBondContact O-OG1 3.16Å; L437-T440 VanDerWaalsContact O-OG1 3.09Å; T440-S442 VanDerWaalsContact C-N 3.31Å; T440-S442 PolarHBondContact O-N 3.44Å; T440-V443 PolarHBondContact O-N 3.3Å; T440-V443 VanDerWaalsContact O-O 3.11Å
441N59.4Low63.6Low90 Ų9066.4 Ų66.448%0.48142%0.416SS..Hα-helixtrans-70.9-23.1175.5-82.9-5.2000113.6L437 V443 A551L437-N441 PolarHBondContact O-N 3.49Å; N441-V443 VanDerWaalsContact C-N 3.32Å; N441-A551 PolarHBondContact ND2-O 3.44Å
442S50.5Low62.8Low89 Ų8966.4 Ų66.462%0.62242%0.422SS*.Hα-helixtrans-74.7-2217567.10000113.2T438 S439 T440T438-S442 PolarHBondContact O-N 3.11Å; S439-S442 PolarHBondContact O-OG 2.96Å; T440-S442 VanDerWaalsContact C-N 3.31Å; T440-S442 PolarHBondContact O-N 3.44Å
443V43.3Very low62.4Low108 Ų10864 Ų6466%0.65541%0.412SS*.SBendtrans-100.489.9176.3-173.10000108T440 N441 G445T440-V443 PolarHBondContact O-N 3.3Å; T440-V443 VanDerWaalsContact O-O 3.11Å; N441-V443 VanDerWaalsContact C-N 3.32Å; V443-G445 PolarHBondContact O-N 3.34Å
444G40.4Very low62.2Low90 Ų9066.1 Ų66.193%0.92842%0.423SS*.THydrogen-bonded Turntrans-6555.7-166.700000118
445G35.4Very low62.1Low68 Ų6867 Ų6770%0.70143%0.43SS*.THydrogen-bonded Turntrans-145.8-10.5-171.200000118.7V443V443-G445 PolarHBondContact O-N 3.34Å
446N35Very low62.3Low105 Ų10564.2 Ų64.256%0.56141%0.411SS*.  trans-144.487.7-176.1-140.69.6000113.3D448 A449N446-D448 PolarHBondContact O-N 3.49Å; N446-A449 HydrophobicContact CB-CB 4.26Å; N446-A449 PolarHBondContact O-N 2.97Å
447R41.9Very low62.7Low243 Ų24361.8 Ų61.892%0.91740%0.395SS*.THydrogen-bonded Turntrans-60.1-27.1176.8-68.5-172.6-172.1-160.82.3112.4G450R447-G450 PolarHBondContact O-N 3.45Å
448D43.7Very low63.2Low140 Ų14062.1 Ų62.175%0.74940%0.397SS*.THydrogen-bonded Turntrans-71.9-35.3-177.3-61.1-16.5000112.4N446 G450 G451N446-D448 PolarHBondContact O-N 3.49Å; D448-G450 VanDerWaalsContact C-N 3.27Å; D448-G450 PolarHBondContact O-N 2.65Å; D448-G451 PolarHBondContact O-N 3.16Å; D448-G451 VanDerWaalsContact O-N 3.1Å
449A44.7Very low63.9Low48 Ų4862.2 Ų62.240%0.39740%0.395SS..Hα-helixtrans-66.8-28179.400000112.7N446 G451N446-A449 HydrophobicContact CB-CB 4.26Å; N446-A449 PolarHBondContact O-N 2.97Å; A449-G451 VanDerWaalsContact C-N 3.3Å
450G53.9Low64.8Low10 Ų1059.1 Ų59.110%0.10337%0.374CS..Hα-helixtrans-73.1-18173.900000114.1L437 R447 D448 A452 S453 L454L437-G450 WeakPolarHBondContact CD2-O 3.4Å; R447-G450 PolarHBondContact O-N 3.45Å; D448-G450 VanDerWaalsContact C-N 3.27Å; D448-G450 PolarHBondContact O-N 2.65Å; G450-A452 PolarHBondContact O-N 3.09Å; G450-S453 PolarHBondContact O-N 3.49Å; G450-S453 PolarHBondContact O-OG 2.95Å; G450-L454 VanDerWaalsContact O-CB 3.24Å; G450-L454 WeakPolarHBondContact O-CB 3.32Å; G450-L454 PolarHBondContact O-N 3.42Å
451G67.4Low66.2Low37 Ų3757.2 Ų57.238%0.38136%0.362SS..Hα-helixtrans-66.8-35.4-176.200000113.6R366 D448 A449 A455R366-G451 PolarHBondContact NH2-O 2.85Å; R366-G451 VanDerWaalsContact NH2-O 3.14Å; D448-G451 PolarHBondContact O-N 3.16Å; D448-G451 VanDerWaalsContact O-N 3.1Å; A449-G451 VanDerWaalsContact C-N 3.3Å; G451-A455 PolarHBondContact O-N 3.43Å
452A72.8Confident67.8Low46 Ų4653.5 Ų53.538%0.3834%0.341SS..Hα-helixtrans-67.3-46.4178.800000111.8R366 G450 L456R366-A452 PolarHBondContact NH2-O 2.85Å; G450-A452 PolarHBondContact O-N 3.09Å; A452-L456 PolarHBondContact O-N 3.44Å
453S81.1Confident69.9Low10 Ų1049.2 Ų49.27%0.0731%0.311CS..Hα-helixtrans-74.8-33.9179.650.50000112.6T436 L437 G450 A455 L456 V457T436-S453 WeakPolarHBondContact OG1-CB 3.48Å; L437-S453 WeakPolarHBondContact CD2-OG 3.32Å; L437-S453 VanDerWaalsContact CG-OG 3.29Å; L437-S453 WeakPolarHBondContact CG-OG 3.34Å; G450-S453 PolarHBondContact O-N 3.49Å; G450-S453 PolarHBondContact O-OG 2.95Å; S453-A455 PolarHBondContact O-N 3.22Å; S453-L456 WeakPolarHBondContact O-CB 3.36Å; S453-L456 PolarHBondContact O-N 3.12Å; S453-V457 PolarHBondContact O-N 3.38Å
454L84.2Confident72.3Confident44 Ų4444.1 Ų44.123%0.2328%0.281CS..Hα-helixtrans-56.9-49.417317655.4000111.5L437 G450 L456 V457 I458 V553L437-L454 HydrophobicContact CD2-CB 4.18Å; G450-L454 VanDerWaalsContact O-CB 3.24Å; G450-L454 WeakPolarHBondContact O-CB 3.32Å; G450-L454 PolarHBondContact O-N 3.42Å; L454-L456 VanDerWaalsContact C-N 3.35Å; L454-V457 WeakPolarHBondContact O-CB 3.43Å; L454-V457 PolarHBondContact O-N 3.4Å; L454-I458 HydrophobicContact CD1-CD1 4.25Å; L454-I458 HydrophobicContact CG-CD1 4.04Å; L454-I458 WeakPolarHBondContact O-CG1 3.17Å; L454-I458 PolarHBondContact O-N 3.5Å; L454-V553 HydrophobicContact CD1-CG1 3.26Å
455A85.9Confident74.7Confident20 Ų2039.9 Ų39.917%0.16524%0.237CC..Hα-helixtrans-81.8-11.1-179.800000114.8G451 S453 I458 E459G451-A455 PolarHBondContact O-N 3.43Å; S453-A455 PolarHBondContact O-N 3.22Å; A455-I458 HydrophobicContact CB-CD1 4.11Å; A455-E459 VanDerWaalsContact O-CG 3.27Å; A455-E459 WeakPolarHBondContact O-CG 3.24Å; A455-E459 PolarHBondContact O-N 3.21Å
456L89.4Confident77.3Confident6 Ų637 Ų373%0.03121%0.205CC..Hα-helixtrans-65.6-42.9158.8-76.9171.1000111.5P362 R365 R366 I369 A433 A452 S453 L454 I458 E459 C460P362-L456 HydrophobicContact CB-CD1 4.29Å; R365-L456 HydrophobicContact CB-CD2 3.92Å; R366-L456 HydrophobicContact CB-CD2 3.75Å; I369-L456 HydrophobicContact CD1-CD2 4.08Å; A433-L456 HydrophobicContact CB-CB 3.89Å; A452-L456 PolarHBondContact O-N 3.44Å; S453-L456 WeakPolarHBondContact O-CB 3.36Å; S453-L456 PolarHBondContact O-N 3.12Å; L454-L456 VanDerWaalsContact C-N 3.35Å; L456-I458 VanDerWaalsContact C-N 3.32Å; L456-I458 PolarHBondContact O-N 3.32Å; L456-E459 PolarHBondContact O-N 3.29Å; L456-C460 PolarHBondContact O-N 3.44Å; L456-C460 PolarHBondContact O-SG 3.46Å
457V91.3Very high79.9Confident0 Ų032 Ų320%018%0.179CC..Hα-helixtrans-58.9-45.2174.5167.90000110.8L430 A433 V434 L437 S453 L454 C460 I461 L543L430-V457 HydrophobicContact CD1-CB 4.28Å; L430-V457 HydrophobicContact CD1-CG1 3.84Å; L430-V457 HydrophobicContact CD1-CG2 4.2Å; A433-V457 HydrophobicContact CB-CG2 3.6Å; V434-V457 HydrophobicContact CG2-CG2 3.94Å; L437-V457 HydrophobicContact CD1-CB 4.46Å; L437-V457 HydrophobicContact CD1-CG2 3.59Å; S453-V457 PolarHBondContact O-N 3.38Å; L454-V457 WeakPolarHBondContact O-CB 3.43Å; L454-V457 PolarHBondContact O-N 3.4Å; V457-C460 PolarHBondContact O-N 2.87Å; V457-I461 HydrophobicContact CG1-CD1 3.92Å; V457-I461 WeakPolarHBondContact O-CG1 3.49Å; V457-I461 PolarHBondContact O-N 3.19Å; V457-L543 HydrophobicContact CG1-CD1 4.28Å; V457-L543 HydrophobicContact CG1-CD2 3.57Å
458I90.3Very high82.1Confident11 Ų1120.8 Ų20.86%0.05614%0.136CC..Hα-helixtrans-61-48.2179.1-68.3161.5000111.3L454 A455 L456 C460 I461 R462 T556 A559 W563L454-I458 HydrophobicContact CD1-CD1 4.25Å; L454-I458 HydrophobicContact CG-CD1 4.04Å; L454-I458 WeakPolarHBondContact O-CG1 3.17Å; L454-I458 PolarHBondContact O-N 3.5Å; A455-I458 HydrophobicContact CB-CD1 4.11Å; L456-I458 VanDerWaalsContact C-N 3.32Å; L456-I458 PolarHBondContact O-N 3.32Å; I458-C460 VanDerWaalsContact C-N 3.31Å; I458-C460 PolarHBondContact O-N 3.4Å; I458-I461 PolarHBondContact O-N 3.05Å; I458-R462 PolarHBondContact O-N 3.4Å; I458-T556 HydrophobicContact CD1-CG2 3.47Å; I458-T556 VanDerWaalsContact CD1-CG2 3.47Å; I458-T556 WeakPolarHBondContact CD1-OG1 3.49Å; I458-A559 HydrophobicContact CG1-CB 4.22Å; I458-A559 HydrophobicContact CG2-CB 4.12Å; I458-W563 HydrophobicContact CG2-CE3 4.23Å; I458-W563 HydrophobicContact CG2-CZ3 3.62Å
459E92.1Very high84.2Confident32 Ų3214.1 Ų14.115%0.1510%0.101CC..Hα-helixtrans-62.8-37.2177.8-70-62.4163.800112.2R366 I369 A455 L456 R462 C463R366-E459 HydrophobicContact CG-CG 4.24Å; I369-E459 HydrophobicContact CB-CB 4.31Å; I369-E459 HydrophobicContact CG2-CB 3.7Å; A455-E459 VanDerWaalsContact O-CG 3.27Å; A455-E459 WeakPolarHBondContact O-CG 3.24Å; A455-E459 PolarHBondContact O-N 3.21Å; L456-E459 PolarHBondContact O-N 3.29Å; E459-R462 PolarHBondContact O-N 3.36Å; E459-R462 IonicContact OE2-CZ 3.49Å; E459-R462 VanDerWaalsContact OE2-CZ 3.22Å; E459-R462 IonicContact OE2-NE 2.78Å; E459-R462 PolarHBondContact OE2-NE 3.17Å; E459-R462 IonicContact OE2-NH2 2.76Å; E459-R462 PolarHBondContact OE2-NH2 3.36Å; E459-C463 WeakPolarHBondContact O-CB 3.28Å; E459-C463 PolarHBondContact O-N 2.9Å; E459-C463 PolarHBondContact O-SG 3.4Å
460C94.5Very high85.8Confident0 Ų014 Ų140%09%0.093CC..Hα-helixtrans-63-42.9174.2-66.90000112.1L430 L456 V457 I458 C463 L464L430-C460 HydrophobicContact CB-CB 4.01Å; L430-C460 HydrophobicContact CD1-CB 4.09Å; L456-C460 PolarHBondContact O-N 3.44Å; L456-C460 PolarHBondContact O-SG 3.46Å; V457-C460 PolarHBondContact O-N 2.87Å; I458-C460 VanDerWaalsContact C-N 3.31Å; I458-C460 PolarHBondContact O-N 3.4Å; C460-C463 PolarHBondContact O-N 2.74Å; C460-L464 WeakPolarHBondContact O-CB 3.41Å; C460-L464 WeakPolarHBondContact O-CG 3.41Å; C460-L464 PolarHBondContact O-N 2.94Å
461I93.7Very high86.6Confident4 Ų414.8 Ų14.82%0.02110%0.097CC..Hα-helixtrans-63.6-44.8177-67.3168.7000110.2V457 I458 L464 A465 L543 L555 W563 L564V457-I461 HydrophobicContact CG1-CD1 3.92Å; V457-I461 WeakPolarHBondContact O-CG1 3.49Å; V457-I461 PolarHBondContact O-N 3.19Å; I458-I461 PolarHBondContact O-N 3.05Å; I461-L464 PolarHBondContact O-N 3.06Å; I461-A465 WeakPolarHBondContact O-CB 3.23Å; I461-A465 PolarHBondContact O-N 3.29Å; I461-L543 HydrophobicContact CD1-CD2 4.47Å; I461-L555 HydrophobicContact CD1-CD1 4.36Å; I461-L555 HydrophobicContact CD1-CD2 4.26Å; I461-W563 HydrophobicContact CG2-CB 3.88Å; I461-L564 HydrophobicContact CG2-CB 4.21Å
462R92.4Very high86.9Confident12 Ų1217.3 Ų17.35%0.04510%0.099CC..Hα-helixtrans-58.6-48.4176.2-174.9175.873.189.14.1111.6S370 I458 E459 L464 A465 N466 W563S370-R462 VanDerWaalsContact CA-NH2 3.31Å; S370-R462 PolarHBondContact O-NH2 3.11Å; I458-R462 PolarHBondContact O-N 3.4Å; E459-R462 PolarHBondContact O-N 3.36Å; E459-R462 IonicContact OE2-CZ 3.49Å; E459-R462 VanDerWaalsContact OE2-CZ 3.22Å; E459-R462 IonicContact OE2-NE 2.78Å; E459-R462 PolarHBondContact OE2-NE 3.17Å; E459-R462 IonicContact OE2-NH2 2.76Å; E459-R462 PolarHBondContact OE2-NH2 3.36Å; R462-L464 PolarHBondContact O-N 2.91Å; R462-A465 PolarHBondContact O-N 2.9Å; R462-N466 WeakPolarHBondContact O-CB 3.47Å; R462-N466 VanDerWaalsContact O-CG 3.29Å; R462-N466 PolarHBondContact O-N 3.16Å; R462-N466 PolarHBondContact O-ND2 3.03Å; R462-W563 HydrophobicContact CB-CD2 3.76Å; R462-W563 HydrophobicContact CB-CE3 3.83Å; R462-W563 HydrophobicContact CB-CG 4.22Å; R462-W563 HydrophobicContact CB-CH2 4.48Å; R462-W563 HydrophobicContact CB-CZ2 4.37Å; R462-W563 HydrophobicContact CB-CZ3 4.22Å; R462-W563 HydrophobicContact CG-CD2 3.82Å; R462-W563 HydrophobicContact CG-CE3 4.26Å; R462-W563 HydrophobicContact CG-CG 4.27Å; R462-W563 HydrophobicContact CG-CH2 4.27Å; R462-W563 HydrophobicContact CG-CZ2 3.78Å; R462-W563 HydrophobicContact CG-CZ3 4.48Å
463C93.8Very high87Confident0 Ų015.2 Ų15.20%08%0.081CC..Hα-helixtrans-60.9-45.3177.4-73.30000112.8I369 G373 L426 E459 C460 N466 L467I369-C463 HydrophobicContact CG2-CB 4.43Å; I369-C463 VanDerWaalsContact CG2-SG 3.53Å; I369-C463 PolarHBondContact O-SG 2.97Å; G373-C463 WeakPolarHBondContact CA-SG 3.35Å; G373-C463 PolarHBondContact N-SG 3.37Å; L426-C463 HydrophobicContact CD1-CB 3.79Å; L426-C463 HydrophobicContact CD2-CB 3.69Å; L426-C463 HydrophobicContact CG-CB 4.42Å; E459-C463 WeakPolarHBondContact O-CB 3.28Å; E459-C463 PolarHBondContact O-N 2.9Å; E459-C463 PolarHBondContact O-SG 3.4Å; C460-C463 PolarHBondContact O-N 2.74Å; C463-N466 PolarHBondContact O-N 2.86Å; C463-L467 VanDerWaalsContact O-CB 3.24Å; C463-L467 WeakPolarHBondContact O-CB 3.42Å; C463-L467 PolarHBondContact O-N 3.25Å
464L94.5Very high86.8Confident1 Ų115 Ų151%0.0058%0.079CC..Hα-helixtrans-63.3-42.1177.5-73.1171.4000111.8L423 L426 L430 C460 I461 R462 L467 I468 L530 L536 L567L423-L464 HydrophobicContact CD2-CD2 4.25Å; L426-L464 HydrophobicContact CB-CD2 3.85Å; L426-L464 HydrophobicContact CB-CG 4.17Å; L426-L464 HydrophobicContact CD1-CD2 3.88Å; L426-L464 HydrophobicContact CD1-CG 4.21Å; L430-L464 HydrophobicContact CD2-CD1 4.43Å; C460-L464 WeakPolarHBondContact O-CB 3.41Å; C460-L464 WeakPolarHBondContact O-CG 3.41Å; C460-L464 PolarHBondContact O-N 2.94Å; I461-L464 PolarHBondContact O-N 3.06Å; R462-L464 PolarHBondContact O-N 2.91Å; L464-L467 PolarHBondContact O-N 3.32Å; L464-I468 PolarHBondContact O-N 3.44Å; L464-L530 HydrophobicContact CD2-CD1 4.07Å; L464-L530 HydrophobicContact CD2-CD2 4.26Å; L464-L536 HydrophobicContact CD1-CD1 4.31Å; L464-L536 HydrophobicContact CD1-CD2 4.4Å; L464-L567 HydrophobicContact CB-CD1 4.26Å; L464-L567 HydrophobicContact CB-CD2 4.09Å
465A91.4Very high86.3Confident1 Ų115.2 Ų15.21%0.0088%0.08CC..Hα-helixtrans-61.3-51175.100000110.9I461 R462 L467 I468 C469 W563 L567I461-A465 WeakPolarHBondContact O-CB 3.23Å; I461-A465 PolarHBondContact O-N 3.29Å; R462-A465 PolarHBondContact O-N 2.9Å; A465-L467 PolarHBondContact O-N 2.82Å; A465-I468 PolarHBondContact O-N 3.02Å; A465-C469 WeakPolarHBondContact O-CA 3.31Å; A465-C469 WeakPolarHBondContact O-CB 3.12Å; A465-C469 PolarHBondContact O-N 2.92Å; A465-C469 PolarHBondContact O-SG 3.21Å; A465-W563 HydrophobicContact CB-CB 3.87Å; A465-W563 HydrophobicContact CB-CG 4.42Å; A465-L567 HydrophobicContact CB-CB 4.42Å
466N88.8Confident85.7Confident8 Ų815.9 Ų15.94%0.0438%0.079CC..Hα-helixtrans-66.2-25.5-179.7-69.1-19000113L376 V377 R380 R462 C463L376-N466 HydrophobicContact CB-CB 3.97Å; L376-N466 HydrophobicContact CD1-CB 4.43Å; V377-N466 HydrophobicContact CG2-CB 4.42Å; V377-N466 WeakPolarHBondContact CG2-ND2 3.2Å; R380-N466 VanDerWaalsContact CZ-O 3.24Å; R380-N466 PolarHBondContact NE-O 3.42Å; R380-N466 PolarHBondContact NH2-O 3.43Å; R462-N466 WeakPolarHBondContact O-CB 3.47Å; R462-N466 VanDerWaalsContact O-CG 3.29Å; R462-N466 PolarHBondContact O-N 3.16Å; R462-N466 PolarHBondContact O-ND2 3.03Å; C463-N466 PolarHBondContact O-N 2.86Å
467L90.4Very high85Confident0 Ų015.8 Ų15.80%08%0.079CC..Hα-helixtrans-72.5-36.4177.6-175.163.1000112.6L376 R380 I397 L401 I422 L423 L426 C463 L464 A465L376-L467 HydrophobicContact CD1-CB 4.06Å; L376-L467 HydrophobicContact CD1-CD1 4.32Å; L376-L467 HydrophobicContact CD2-CD1 3.89Å; R380-L467 VanDerWaalsContact NH2-C 3.26Å; R380-L467 PolarHBondContact NH2-O 2.96Å; I397-L467 HydrophobicContact CG2-CD1 4.33Å; L401-L467 HydrophobicContact CD1-CD1 4.33Å; L401-L467 HydrophobicContact CD1-CG 4.48Å; L401-L467 HydrophobicContact CD2-CD1 4.37Å; L401-L467 HydrophobicContact CD2-CD2 4.26Å; L401-L467 HydrophobicContact CD2-CG 4.4Å; L401-L467 HydrophobicContact CG-CD1 4.27Å; I422-L467 HydrophobicContact CG2-CD1 4.37Å; I422-L467 HydrophobicContact CG2-CD2 3.72Å; L423-L467 HydrophobicContact CD2-CD2 3.42Å; L423-L467 VanDerWaalsContact CD2-CD2 3.42Å; L423-L467 HydrophobicContact CG-CD2 4.17Å; L426-L467 HydrophobicContact CD1-CD2 4.36Å; C463-L467 VanDerWaalsContact O-CB 3.24Å; C463-L467 WeakPolarHBondContact O-CB 3.42Å; C463-L467 PolarHBondContact O-N 3.25Å; L464-L467 PolarHBondContact O-N 3.32Å; A465-L467 PolarHBondContact O-N 2.82Å
468I89.1Confident84.2Confident6 Ų615.9 Ų15.93%0.0318%0.079CC..Hα-helixtrans-116.1-29-168.3-58.8-180000113.2L423 L464 A465 P526 V527 L530 R570 L953L423-I468 HydrophobicContact CD2-CD1 4.08Å; L464-I468 PolarHBondContact O-N 3.44Å; A465-I468 PolarHBondContact O-N 3.02Å; I468-P526 HydrophobicContact CD1-CB 4.46Å; I468-V527 HydrophobicContact CG2-CG2 3.54Å; I468-L530 HydrophobicContact CD1-CD1 3.14Å; I468-L530 HydrophobicContact CD1-CG 4.12Å; I468-R570 HydrophobicContact CG2-CG 3.76Å; I468-L953 HydrophobicContact CG2-CD2 3.94Å
469C86.3Confident83.1Confident0 Ų017.4 Ų17.40%09%0.085CC..  trans-96.8132.7-177.3-49.40000110.4R380 A465 S566 R570R380-C469 PolarHBondContact NE-O 2.9Å; R380-C469 PolarHBondContact NH2-O 3.35Å; A465-C469 WeakPolarHBondContact O-CA 3.31Å; A465-C469 WeakPolarHBondContact O-CB 3.12Å; A465-C469 PolarHBondContact O-N 2.92Å; A465-C469 PolarHBondContact O-SG 3.21Å; C469-S566 PolarHBondContact SG-O 3.26Å; C469-R570 VanDerWaalsContact SG-CB 3.58Å
470D78Confident81.6Confident45 Ų4516.4 Ų16.424%0.2418%0.081CC..  trans-96.4101.5163.1176.4-5.1000107.8Q472 S473 E474D470-Q472 VanDerWaalsContact C-N 3.32Å; D470-Q472 PolarHBondContact O-N 3.29Å; D470-Q472 PolarHBondContact OD1-N 2.94Å; D470-S473 VanDerWaalsContact CG-CB 3.45Å; D470-S473 VanDerWaalsContact CG-OG 3.23Å; D470-S473 PolarHBondContact O-N 3.06Å; D470-S473 PolarHBondContact OD1-N 3.14Å; D470-S473 VanDerWaalsContact OD2-CB 3.22Å; D470-S473 WeakPolarHBondContact OD2-CB 3.43Å; D470-S473 PolarHBondContact OD2-OG 3.25Å; D470-E474 WeakPolarHBondContact O-CB 3.26Å; D470-E474 VanDerWaalsContact O-CG 3.25Å; D470-E474 WeakPolarHBondContact O-CG 3.44Å; D470-E474 PolarHBondContact O-N 3.34Å
471T72.1Confident79.6Confident28 Ų2817.6 Ų17.617%0.1729%0.086CC..Hα-helixtrans-60.2-40.8-17352.10000112.1E474 L475T471-E474 PolarHBondContact O-N 2.94Å; T471-L475 WeakPolarHBondContact O-CB 3.28Å; T471-L475 WeakPolarHBondContact O-CG 3.36Å; T471-L475 PolarHBondContact O-N 3.41Å
472Q72.6Confident77.8Confident90 Ų9017.7 Ų17.742%0.4219%0.086SC..Hα-helixtrans-65.8-44179.1-175.6175.6-13.400111D470 L475 F476D470-Q472 VanDerWaalsContact C-N 3.32Å; D470-Q472 PolarHBondContact O-N 3.29Å; D470-Q472 PolarHBondContact OD1-N 2.94Å; Q472-L475 PolarHBondContact O-N 3.15Å; Q472-F476 PolarHBondContact O-N 3.37Å
473S75.3Confident76.3Confident1 Ų117.2 Ų17.21%0.0079%0.085CC..Hα-helixtrans-68.7-39.5177.7-67.30000113.1D470 L475 F476 L477 T958D470-S473 VanDerWaalsContact CG-CB 3.45Å; D470-S473 VanDerWaalsContact CG-OG 3.23Å; D470-S473 PolarHBondContact O-N 3.06Å; D470-S473 PolarHBondContact OD1-N 3.14Å; D470-S473 VanDerWaalsContact OD2-CB 3.22Å; D470-S473 WeakPolarHBondContact OD2-CB 3.43Å; D470-S473 PolarHBondContact OD2-OG 3.25Å; S473-L475 VanDerWaalsContact C-N 3.33Å; S473-L475 PolarHBondContact O-N 2.94Å; S473-F476 PolarHBondContact O-N 2.69Å; S473-L477 WeakPolarHBondContact O-CB 3.47Å; S473-L477 PolarHBondContact O-N 3.01Å; S473-T958 PolarHBondContact OG-OG1 3.46Å
474E77.3Confident74.4Confident5 Ų517.4 Ų17.42%0.0239%0.086CC..Hα-helixtrans-66.5-35.4176.6-72.3-73.7-177.400111.9D470 T471 N478 R570 R573 R631 Y956D470-E474 WeakPolarHBondContact O-CB 3.26Å; D470-E474 VanDerWaalsContact O-CG 3.25Å; D470-E474 WeakPolarHBondContact O-CG 3.44Å; D470-E474 PolarHBondContact O-N 3.34Å; T471-E474 PolarHBondContact O-N 2.94Å; E474-N478 PolarHBondContact O-N 3.34Å; E474-N478 VanDerWaalsContact O-N 3.12Å; E474-R570 WeakPolarHBondContact OE1-CD 3.45Å; E474-R573 PolarHBondContact O-NH1 2.9Å; E474-R573 IonicContact OE2-CZ 2.93Å; E474-R573 IonicContact OE2-NE 3.23Å; E474-R573 IonicContact OE2-NH1 3.71Å; E474-R573 PolarHBondContact OE2-NH1 3.45Å; E474-R631 PolarHBondContact O-NH2 3.42Å; E474-Y956 PolarHBondContact OE1-OH 3.03Å
475L72.6Confident72.4Confident50 Ų5017.3 Ų17.326%0.2629%0.086SC..Hα-helixtrans-67.1-48.5171.6-74.7169000110.9T471 Q472 S473 L477 N478 Y479T471-L475 WeakPolarHBondContact O-CB 3.28Å; T471-L475 WeakPolarHBondContact O-CG 3.36Å; T471-L475 PolarHBondContact O-N 3.41Å; Q472-L475 PolarHBondContact O-N 3.15Å; S473-L475 VanDerWaalsContact C-N 3.33Å; S473-L475 PolarHBondContact O-N 2.94Å; L475-L477 VanDerWaalsContact C-N 3.31Å; L475-L477 PolarHBondContact O-N 3.48Å; L475-N478 WeakPolarHBondContact O-CA 3.5Å; L475-N478 WeakPolarHBondContact O-CB 3.36Å; L475-N478 PolarHBondContact O-N 3.26Å; L475-Y479 HydrophobicContact CD2-CE2 4.14Å; L475-Y479 WeakPolarHBondContact O-CD2 3.04Å; L475-Y479 PolarHBondContact O-N 3.12Å; L475-Y479 VanDerWaalsContact O-N 3.14Å
476F73.5Confident70.8Confident34 Ų3418.4 Ų18.415%0.1499%0.09CC..Hα-helixtrans-55.3-47.9175.8173.3-100.5000111.6Q472 S473 N478 Y479 A480 T958 R1013 L1094 L1095Q472-F476 PolarHBondContact O-N 3.37Å; S473-F476 PolarHBondContact O-N 2.69Å; F476-N478 PolarHBondContact O-N 3.45Å; F476-Y479 PolarHBondContact O-N 3.48Å; F476-A480 HydrophobicContact CD1-CB 4.39Å; F476-A480 HydrophobicContact CD2-CB 4.26Å; F476-A480 HydrophobicContact CE1-CB 3.95Å; F476-A480 HydrophobicContact CE2-CB 3.76Å; F476-A480 HydrophobicContact CZ-CB 3.61Å; F476-A480 VanDerWaalsContact O-CB 3.3Å; F476-A480 WeakPolarHBondContact O-CB 3.35Å; F476-A480 PolarHBondContact O-N 3.35Å; F476-T958 HydrophobicContact CB-CG2 3.97Å; F476-T958 HydrophobicContact CD1-CG2 3.38Å; F476-T958 HydrophobicContact CE1-CG2 4.09Å; F476-T958 HydrophobicContact CG-CG2 3.81Å; F476-R1013 HydrophobicContact CE2-CG 3.93Å; F476-L1094 HydrophobicContact CD1-CD2 4.49Å; F476-L1094 HydrophobicContact CE1-CD2 4.44Å; F476-L1095 HydrophobicContact CE1-CD2 4.19Å; F476-L1095 HydrophobicContact CZ-CD2 4.16Å
477L74.4Confident69.3Low4 Ų420.1 Ų20.12%0.02110%0.103CC..Hα-helixtrans-64.7-23.7177.9-179.459.2000112.6S473 L475 Y481 I495 R573 Y956 L1094S473-L477 WeakPolarHBondContact O-CB 3.47Å; S473-L477 PolarHBondContact O-N 3.01Å; L475-L477 VanDerWaalsContact C-N 3.31Å; L475-L477 PolarHBondContact O-N 3.48Å; L477-Y481 HydrophobicContact CD1-CD2 3.72Å; L477-Y481 HydrophobicContact CD1-CE2 4.2Å; L477-Y481 HydrophobicContact CD1-CG 4.32Å; L477-Y481 WeakPolarHBondContact O-CB 3.26Å; L477-I495 HydrophobicContact CD2-CD1 3.29Å; L477-R573 VanDerWaalsContact CG-CZ 3.46Å; L477-Y956 HydrophobicContact CD2-CD1 4.47Å; L477-Y956 HydrophobicContact CD2-CE1 3.92Å; L477-L1094 HydrophobicContact CB-CD2 4.3Å; L477-L1094 HydrophobicContact CD1-CD1 3.8Å; L477-L1094 HydrophobicContact CD1-CD2 3.74Å; L477-L1094 HydrophobicContact CD1-CG 4.42Å; L477-L1094 HydrophobicContact CG-CD2 4.38Å
478N76.1Confident67.5Low1 Ų120.6 Ų20.61%0.00511%0.106CC..Hα-helixtrans-67.9-47.6169.6-15655.8000111.7E474 L475 F476 E482 R631 R634 R700E474-N478 PolarHBondContact O-N 3.34Å; E474-N478 VanDerWaalsContact O-N 3.12Å; L475-N478 WeakPolarHBondContact O-CA 3.5Å; L475-N478 WeakPolarHBondContact O-CB 3.36Å; L475-N478 PolarHBondContact O-N 3.26Å; F476-N478 PolarHBondContact O-N 3.45Å; N478-E482 WeakPolarHBondContact O-CG 3.49Å; N478-E482 PolarHBondContact OD1-OE1 3.25Å; N478-R631 WeakPolarHBondContact OD1-CD 3.43Å; N478-R631 VanDerWaalsContact OD1-CZ 3.3Å; N478-R631 PolarHBondContact OD1-NE 3.41Å; N478-R634 PolarHBondContact OD1-NH2 3.34Å; N478-R700 PolarHBondContact ND2-NH1 2.85Å
479Y67.3Low66Low44 Ų4420.9 Ų20.917%0.17311%0.106CC..Hα-helixtrans-90.1-34.6-167.5-67.3-68.6000114L475 F476 Y481 F1005 M1010L475-Y479 HydrophobicContact CD2-CE2 4.14Å; L475-Y479 WeakPolarHBondContact O-CD2 3.04Å; L475-Y479 PolarHBondContact O-N 3.12Å; L475-Y479 VanDerWaalsContact O-N 3.14Å; F476-Y479 PolarHBondContact O-N 3.48Å; Y479-Y481 VanDerWaalsContact C-N 3.3Å; Y479-Y481 PolarHBondContact O-N 2.98Å; Y479-F1005 HydrophobicContact CD1-CD2 4.48Å; Y479-F1005 AromaticContact CD1-CE2 3.91Å; Y479-F1005 HydrophobicContact CD1-CE2 3.91Å; Y479-F1005 HydrophobicContact CD1-CZ 4.24Å; Y479-F1005 AromaticContact CD2-CD2 3.85Å; Y479-F1005 HydrophobicContact CD2-CD2 3.85Å; Y479-F1005 AromaticContact CD2-CE2 3.56Å; Y479-F1005 HydrophobicContact CD2-CE2 3.56Å; Y479-F1005 AromaticContact CE1-CD2 3.94Å; Y479-F1005 HydrophobicContact CE1-CD2 3.94Å; Y479-F1005 AromaticContact CE1-CE2 3.79Å; Y479-F1005 HydrophobicContact CE1-CE2 3.79Å; Y479-F1005 HydrophobicContact CE1-CG 4.41Å; Y479-F1005 HydrophobicContact CE1-CZ 4.16Å; Y479-F1005 AromaticContact CE2-CD2 3.22Å; Y479-F1005 HydrophobicContact CE2-CD2 3.22Å; Y479-F1005 AromaticContact CE2-CE2 3.44Å; Y479-F1005 HydrophobicContact CE2-CE2 3.44Å; Y479-F1005 VanDerWaalsContact CE2-CE2 3.44Å; Y479-F1005 HydrophobicContact CE2-CG 4.19Å; Y479-F1005 HydrophobicContact CG-CD2 4.45Å; Y479-F1005 AromaticContact CG-CE2 3.82Å; Y479-F1005 HydrophobicContact CG-CE2 3.82Å; Y479-F1005 HydrophobicContact CG-CZ 4.46Å; Y479-F1005 AromaticContact CZ-CD2 3.27Å; Y479-F1005 AromaticContact CZ-CE2 3.55Å; Y479-F1005 AromaticContact CZ-CG 3.82Å; Y479-F1005 WeakPolarHBondContact OH-CD2 3.47Å; Y479-M1010 HydrophobicContact CD1-CE 3.69Å; Y479-M1010 HydrophobicContact CG-CE 4.17Å
480A60.3Low64.7Low10 Ų1027.4 Ų27.48%0.08314%0.135CC..Hα-helixtrans-63.5-40177.100000110.7F476 I485F476-A480 HydrophobicContact CD1-CB 4.39Å; F476-A480 HydrophobicContact CD2-CB 4.26Å; F476-A480 HydrophobicContact CE1-CB 3.95Å; F476-A480 HydrophobicContact CE2-CB 3.76Å; F476-A480 HydrophobicContact CZ-CB 3.61Å; F476-A480 VanDerWaalsContact O-CB 3.3Å; F476-A480 WeakPolarHBondContact O-CB 3.35Å; F476-A480 PolarHBondContact O-N 3.35Å; A480-I485 VanDerWaalsContact O-CB 3.31Å; A480-I485 WeakPolarHBondContact O-CB 3.2Å; A480-I485 WeakPolarHBondContact O-CD1 3.44Å
481Y52Low63.9Low25 Ų2528.7 Ų28.710%0.09815%0.147CC..Hα-helixtrans-81.3-17.5-166.6-125.1-99.1000115.9L477 Y479 I485 E486 Y489 L493 L1094 I1098L477-Y481 HydrophobicContact CD1-CD2 3.72Å; L477-Y481 HydrophobicContact CD1-CE2 4.2Å; L477-Y481 HydrophobicContact CD1-CG 4.32Å; L477-Y481 WeakPolarHBondContact O-CB 3.26Å; Y479-Y481 VanDerWaalsContact C-N 3.3Å; Y479-Y481 PolarHBondContact O-N 2.98Å; Y481-I485 HydrophobicContact CD1-CG2 4.37Å; Y481-I485 HydrophobicContact CD2-CG2 4.02Å; Y481-I485 HydrophobicContact CE2-CG2 4.22Å; Y481-I485 HydrophobicContact CG-CG2 4.11Å; Y481-I485 CarbonylContact O-C 3.55Å; Y481-E486 VanDerWaalsContact O-CA 3.31Å; Y481-E486 WeakPolarHBondContact O-CA 3.25Å; Y481-E486 WeakPolarHBondContact O-CB 3.44Å; Y481-E486 PolarHBondContact O-N 2.83Å; Y481-Y489 HydrophobicContact CD1-CD2 4.44Å; Y481-Y489 AromaticContact CE1-CD2 3.34Å; Y481-Y489 HydrophobicContact CE1-CD2 3.34Å; Y481-Y489 HydrophobicContact CE1-CE2 4.03Å; Y481-Y489 AromaticContact CE1-CG 3.62Å; Y481-Y489 HydrophobicContact CE1-CG 3.62Å; Y481-Y489 HydrophobicContact CE2-CD2 4.18Å; Y481-Y489 HydrophobicContact CE2-CE2 4.02Å; Y481-Y489 AromaticContact CZ-CD2 3.18Å; Y481-Y489 AromaticContact CZ-CE2 3.35Å; Y481-Y489 AromaticContact CZ-CG 3.65Å; Y481-Y489 AromaticContact CZ-CZ 3.95Å; Y481-Y489 WeakPolarHBondContact OH-CD1 3.48Å; Y481-Y489 WeakPolarHBondContact OH-CD2 3.17Å; Y481-Y489 WeakPolarHBondContact OH-CE1 3.2Å; Y481-Y489 WeakPolarHBondContact OH-CE2 3.42Å; Y481-L493 HydrophobicContact CE1-CD1 4.32Å; Y481-L493 HydrophobicContact CE1-CG 4.15Å; Y481-L493 HydrophobicContact CE2-CD1 3.49Å; Y481-L493 VanDerWaalsContact CE2-CD1 3.49Å; Y481-L493 HydrophobicContact CE2-CG 4.22Å; Y481-L493 WeakPolarHBondContact OH-CD1 3.28Å; Y481-L493 VanDerWaalsContact OH-CD2 3.28Å; Y481-L493 WeakPolarHBondContact OH-CD2 3.44Å; Y481-L493 WeakPolarHBondContact OH-CG 3.41Å; Y481-L1094 HydrophobicContact CE2-CD1 4.33Å; Y481-I1098 HydrophobicContact CD2-CD1 4.22Å; Y481-I1098 HydrophobicContact CE2-CD1 3.82Å; Y481-I1098 HydrophobicContact CE2-CG1 3.98Å
482E55Low63.8Low6 Ų628.4 Ų28.43%0.02815%0.146CC..THydrogen-bonded Turntrans-98.8-34.4-154.3-79.7163.4-156.400117.1N478 E486 R634 R700N478-E482 WeakPolarHBondContact O-CG 3.49Å; N478-E482 PolarHBondContact OD1-OE1 3.25Å; E482-E486 VanDerWaalsContact O-CB 3.22Å; E482-E486 WeakPolarHBondContact O-CB 3.4Å; E482-E486 VanDerWaalsContact O-OE2 3.14Å; E482-R634 VanDerWaalsContact CD-NH2 3.31Å; E482-R634 IonicContact OE1-CZ 2.98Å; E482-R634 IonicContact OE1-NE 3.91Å; E482-R634 IonicContact OE1-NH1 2.82Å; E482-R634 PolarHBondContact OE1-NH1 2.77Å; E482-R634 IonicContact OE1-NH2 4Å; E482-R634 PolarHBondContact OE1-NH2 2.92Å; E482-R634 IonicContact OE2-CZ 3.82Å; E482-R634 IonicContact OE2-NE 2.65Å; E482-R634 IonicContact OE2-NH1 3.16Å; E482-R634 IonicContact OE2-NH2 3.72Å; E482-R634 PolarHBondContact OE2-NH2 3Å; E482-R700 VanDerWaalsContact OE2-CD 3.22Å; E482-R700 WeakPolarHBondContact OE2-CD 3.22Å; E482-R700 IonicContact OE2-CZ 3.69Å; E482-R700 VanDerWaalsContact OE2-CZ 3.23Å; E482-R700 IonicContact OE2-NE 3.15Å; E482-R700 PolarHBondContact OE2-NE 3.49Å; E482-R700 IonicContact OE2-NH1 2.99Å; E482-R700 PolarHBondContact OE2-NH1 3.01Å
483W61.7Low63.8Low2 Ų224.7 Ų24.71%0.00813%0.129CC..THydrogen-bonded Turntrans-95.3-62.2-180-48.2109.9000113.1I699 R700 T761 S762 H765 V839W483-I699 HydrophobicContact CH2-CG2 4.09Å; W483-R700 HydrophobicContact CH2-CB 4.34Å; W483-R700 HydrophobicContact CH2-CG 3.31Å; W483-R700 HydrophobicContact CZ2-CG 3.18Å; W483-R700 VanDerWaalsContact CZ2-NE 3.33Å; W483-R700 HydrophobicContact CZ3-CG 4.32Å; W483-T761 HydrophobicContact CB-CG2 4.33Å; W483-T761 HydrophobicContact CG-CG2 4.06Å; W483-S762 WeakPolarHBondContact CZ2-OG 3.22Å; W483-H765 HydrophobicContact CD2-CB 4.46Å; W483-H765 HydrophobicContact CE3-CB 3.5Å; W483-H765 VanDerWaalsContact CE3-CB 3.5Å; W483-H765 AromaticContact CE3-CD2 3.48Å; W483-H765 VanDerWaalsContact CE3-CD2 3.48Å; W483-H765 AromaticContact CE3-CG 3.58Å; W483-H765 HydrophobicContact CZ3-CB 3.87Å; W483-H765 AromaticContact CZ3-CD2 3.85Å; W483-H765 PolarHBondContact O-CE1 2.9Å; W483-V839 HydrophobicContact CB-CG2 3.5Å; W483-V839 VanDerWaalsContact CB-CG2 3.5Å; W483-V839 HydrophobicContact CG-CG2 4.43Å
484P54.6Low64.3Low4 Ų426.4 Ų26.43%0.02614%0.136CC..THydrogen-bonded Turntrans-91.8-26.4-175.2-1437.6000111.7S487 A838 V839 P1016 S1019P484-S487 PolarHBondContact O-OG 3.49Å; P484-A838 HydrophobicContact CB-CB 3.76Å; P484-A838 HydrophobicContact CG-CB 3.5Å; P484-A838 VanDerWaalsContact CG-CB 3.5Å; P484-V839 HydrophobicContact CG-CG2 4.18Å; P484-P1016 HydrophobicContact CB-CB 4.23Å; P484-P1016 HydrophobicContact CG-CB 3.77Å; P484-S1019 PolarHBondContact O-OG 3.11Å
485I52.3Low64.4Low0 Ų026.6 Ų26.60%014%0.137CC..SBendtrans-88.6-18.7-175.7-70.4158.1000111.8A480 Y481 S487 I488 Y489 L1015 P1016A480-I485 VanDerWaalsContact O-CB 3.31Å; A480-I485 WeakPolarHBondContact O-CB 3.2Å; A480-I485 WeakPolarHBondContact O-CD1 3.44Å; Y481-I485 HydrophobicContact CD1-CG2 4.37Å; Y481-I485 HydrophobicContact CD2-CG2 4.02Å; Y481-I485 HydrophobicContact CE2-CG2 4.22Å; Y481-I485 HydrophobicContact CG-CG2 4.11Å; Y481-I485 CarbonylContact O-C 3.55Å; I485-S487 PolarHBondContact O-N 3.27Å; I485-S487 VanDerWaalsContact O-N 3.14Å; I485-I488 HydrophobicContact CB-CD1 4.3Å; I485-I488 HydrophobicContact CG1-CD1 4.11Å; I485-I488 HydrophobicContact CG2-CD1 4.05Å; I485-I488 HydrophobicContact CG2-CG1 4.49Å; I485-I488 WeakPolarHBondContact O-CA 3.35Å; I485-I488 WeakPolarHBondContact O-CB 3.37Å; I485-I488 WeakPolarHBondContact O-CG1 3.3Å; I485-I488 PolarHBondContact O-N 2.8Å; I485-Y489 HydrophobicContact CG2-CD2 4.41Å; I485-Y489 HydrophobicContact CG2-CE2 4.45Å; I485-L1015 HydrophobicContact CD1-CB 4.29Å; I485-L1015 HydrophobicContact CD1-CD2 3.85Å; I485-L1015 HydrophobicContact CD1-CG 3.86Å; I485-P1016 HydrophobicContact CD1-CG 4.45Å
486E58.1Low65Low23 Ų2324.3 Ų24.311%0.10713%0.126CC..THydrogen-bonded Turntrans-63.3-23.8174.7-164.6171.7-143.800111.1Y481 E482 I488 Y489 Q638 N703 V707Y481-E486 VanDerWaalsContact O-CA 3.31Å; Y481-E486 WeakPolarHBondContact O-CA 3.25Å; Y481-E486 WeakPolarHBondContact O-CB 3.44Å; Y481-E486 PolarHBondContact O-N 2.83Å; E482-E486 VanDerWaalsContact O-CB 3.22Å; E482-E486 WeakPolarHBondContact O-CB 3.4Å; E482-E486 VanDerWaalsContact O-OE2 3.14Å; E486-I488 PolarHBondContact O-N 3.37Å; E486-Y489 VanDerWaalsContact O-O 3.13Å; E486-Q638 PolarHBondContact OE1-NE2 3.36Å; E486-Q638 VanDerWaalsContact OE1-NE2 3.08Å; E486-N703 PolarHBondContact OE2-ND2 3.02Å; E486-N703 VanDerWaalsContact OE2-ND2 3.15Å; E486-V707 HydrophobicContact CG-CG1 4.28Å
487S56.1Low65.3Low44 Ų4423.2 Ų23.231%0.30812%0.122SC..THydrogen-bonded Turntrans-65.1-20.8170.370.20000114.3P484 I485 N1023P484-S487 PolarHBondContact O-OG 3.49Å; I485-S487 PolarHBondContact O-N 3.27Å; I485-S487 VanDerWaalsContact O-N 3.14Å; S487-N1023 PolarHBondContact OG-ND2 2.86Å
488I53.8Low65Low11 Ų1124.7 Ų24.76%0.05613%0.132CC..THydrogen-bonded Turntrans-78.4-48-179.4-58.2-174.8000109.3I485 E486 I1098 E1101 L1102I485-I488 HydrophobicContact CB-CD1 4.3Å; I485-I488 HydrophobicContact CG1-CD1 4.11Å; I485-I488 HydrophobicContact CG2-CD1 4.05Å; I485-I488 HydrophobicContact CG2-CG1 4.49Å; I485-I488 WeakPolarHBondContact O-CA 3.35Å; I485-I488 WeakPolarHBondContact O-CB 3.37Å; I485-I488 WeakPolarHBondContact O-CG1 3.3Å; I485-I488 PolarHBondContact O-N 2.8Å; E486-I488 PolarHBondContact O-N 3.37Å; I488-I1098 HydrophobicContact CD1-CG2 4.47Å; I488-E1101 HydrophobicContact CG2-CB 4.03Å; I488-E1101 HydrophobicContact CG2-CG 3.33Å; I488-E1101 WeakPolarHBondContact CG2-OE1 3.36Å; I488-E1101 VanDerWaalsContact O-OE1 3.07Å; I488-L1102 HydrophobicContact CD1-CD2 3.55Å; I488-L1102 HydrophobicContact CD1-CG 4.04Å; I488-L1102 HydrophobicContact CG1-CD2 4.48Å
489Y57.6Low64.3Low12 Ų1227.3 Ų27.35%0.04715%0.145CC..  trans-104.2125.7-171.2-66.2-90.7000113Y481 I485 E486 S491 L493 N708 S1097 I1098 E1101Y481-Y489 HydrophobicContact CD1-CD2 4.44Å; Y481-Y489 AromaticContact CE1-CD2 3.34Å; Y481-Y489 HydrophobicContact CE1-CD2 3.34Å; Y481-Y489 HydrophobicContact CE1-CE2 4.03Å; Y481-Y489 AromaticContact CE1-CG 3.62Å; Y481-Y489 HydrophobicContact CE1-CG 3.62Å; Y481-Y489 HydrophobicContact CE2-CD2 4.18Å; Y481-Y489 HydrophobicContact CE2-CE2 4.02Å; Y481-Y489 AromaticContact CZ-CD2 3.18Å; Y481-Y489 AromaticContact CZ-CE2 3.35Å; Y481-Y489 AromaticContact CZ-CG 3.65Å; Y481-Y489 AromaticContact CZ-CZ 3.95Å; Y481-Y489 WeakPolarHBondContact OH-CD1 3.48Å; Y481-Y489 WeakPolarHBondContact OH-CD2 3.17Å; Y481-Y489 WeakPolarHBondContact OH-CE1 3.2Å; Y481-Y489 WeakPolarHBondContact OH-CE2 3.42Å; I485-Y489 HydrophobicContact CG2-CD2 4.41Å; I485-Y489 HydrophobicContact CG2-CE2 4.45Å; E486-Y489 VanDerWaalsContact O-O 3.13Å; Y489-S491 VanDerWaalsContact C-N 3.27Å; Y489-S491 PolarHBondContact O-N 2.96Å; Y489-L493 HydrophobicContact CD1-CD2 3.85Å; Y489-L493 HydrophobicContact CE1-CD2 3.8Å; Y489-N708 PolarHBondContact O-ND2 2.85Å; Y489-S1097 PolarHBondContact OH-O 2.97Å; Y489-S1097 PolarHBondContact OH-OG 3.44Å; Y489-I1098 HydrophobicContact CE2-CG1 4.26Å; Y489-I1098 VanDerWaalsContact OH-CA 3.27Å; Y489-I1098 WeakPolarHBondContact OH-CA 3.32Å; Y489-I1098 PolarHBondContact OH-N 3Å; Y489-E1101 WeakPolarHBondContact CE1-OE2 3.34Å; Y489-E1101 PolarHBondContact OH-OE2 2.97Å
490K58.7Low63.7Low137 Ų13728.5 Ų28.560%0.59615%0.152SC*.SBendtrans-71.4-21.7172.7-67.3177.3-178.51700112.8E1162K490-E1162 IonicContact NZ-OE1 3.73Å; K490-E1162 IonicContact NZ-OE2 3.07Å; K490-E1162 PolarHBondContact NZ-OE2 2.93Å
491S60.8Low62.8Low71 Ų7131 Ų3150%0.49717%0.167SC..SBendtrans-138.6163.1-170.755.20000113.4Y489Y489-S491 VanDerWaalsContact C-N 3.27Å; Y489-S491 PolarHBondContact O-N 2.96Å
492C69.1Low62Low22 Ų2236.4 Ų36.415%0.14920%0.196CC..PPolyproline II helixtrans-65.4136.2175.3-171.70000111.1I639C492-I639 HydrophobicContact CB-CG1 4.44Å
493L74.1Confident60.8Low13 Ų1340.5 Ų40.57%0.06822%0.218CC..PPolyproline II helixtrans-77.1127.7171-68.4-172.7000111.4Y481 Y489 L1094 V1270Y481-L493 HydrophobicContact CE1-CD1 4.32Å; Y481-L493 HydrophobicContact CE1-CG 4.15Å; Y481-L493 HydrophobicContact CE2-CD1 3.49Å; Y481-L493 VanDerWaalsContact CE2-CD1 3.49Å; Y481-L493 HydrophobicContact CE2-CG 4.22Å; Y481-L493 WeakPolarHBondContact OH-CD1 3.28Å; Y481-L493 VanDerWaalsContact OH-CD2 3.28Å; Y481-L493 WeakPolarHBondContact OH-CD2 3.44Å; Y481-L493 WeakPolarHBondContact OH-CG 3.41Å; Y489-L493 HydrophobicContact CD1-CD2 3.85Å; Y489-L493 HydrophobicContact CE1-CD2 3.8Å; L493-L1094 HydrophobicContact CD1-CD1 3.32Å; L493-V1270 HydrophobicContact CB-CG2 3.83Å; L493-V1270 HydrophobicContact CD1-CG2 3.95Å; L493-V1270 HydrophobicContact CD2-CG2 3.61Å; L493-V1270 HydrophobicContact CG-CG2 3.99Å
494F84.8Confident59.2Low37 Ų3744 Ų4416%0.16224%0.239CC..PPolyproline II helixtrans-98143.9171.5-63.9-63.5000111.8R573 S575 S576 I639 S1269 V1270F494-R573 CarbonylContact C-O 3.29Å; F494-R573 VanDerWaalsContact CA-O 3.28Å; F494-R573 WeakPolarHBondContact CA-O 3.34Å; F494-S575 VanDerWaalsContact CD1-C 3.49Å; F494-S576 VanDerWaalsContact CE1-N 3.25Å; F494-I639 HydrophobicContact CE1-CG1 4.29Å; F494-I639 HydrophobicContact CE1-CG2 4.42Å; F494-I639 HydrophobicContact CZ-CG1 4.47Å; F494-I639 HydrophobicContact CZ-CG2 4.11Å; F494-S1269 WeakPolarHBondContact O-CA 3.4Å; F494-S1269 PolarHBondContact O-OG 3.11Å; F494-V1270 WeakPolarHBondContact O-CG2 3.36Å; F494-V1270 PolarHBondContact O-N 3.28Å
495I80.6Confident57.9Low8 Ų848.5 Ų48.54%0.04127%0.271CS..  trans-135.752.1-163-46.4178.2000107.9L477 R570 R573 P954 Y956L477-I495 HydrophobicContact CD2-CD1 3.29Å; I495-R570 PolarHBondContact O-NH1 3.39Å; I495-R570 PolarHBondContact O-NH2 2.95Å; I495-R570 VanDerWaalsContact O-NH2 3.11Å; I495-R573 HydrophobicContact CD1-CB 4.29Å; I495-R573 HydrophobicContact CG1-CB 4.49Å; I495-R573 PolarHBondContact N-O 3.39Å; I495-P954 HydrophobicContact CB-CG 4.4Å; I495-P954 HydrophobicContact CG2-CB 4.05Å; I495-P954 HydrophobicContact CG2-CG 3.19Å; I495-Y956 HydrophobicContact CD1-CD1 4.46Å; I495-Y956 HydrophobicContact CD1-CE1 3.5Å; I495-Y956 HydrophobicContact CG2-CE1 3.99Å
496A83.5Confident56.6Low2 Ų253.9 Ų53.92%0.01730%0.304CS..PPolyproline II helixtrans-78.2152.3167.300000110H574 P1267 S1269 C1271A496-H574 WeakPolarHBondContact CB-NE2 3.43Å; A496-H574 WeakPolarHBondContact CB-O 3.47Å; A496-H574 PolarHBondContact N-O 3.39Å; A496-P1267 HydrophobicContact CB-CG 4.1Å; A496-S1269 PolarHBondContact N-OG 3.5Å; A496-S1269 VanDerWaalsContact N-OG 3.1Å; A496-S1269 VanDerWaalsContact O-CB 3.26Å; A496-S1269 WeakPolarHBondContact O-CB 3.26Å; A496-S1269 PolarHBondContact O-OG 2.95Å; A496-C1271 PolarHBondContact O-SG 3.18Å; A496-C1271 VanDerWaalsContact O-SG 3.36Å
497P80.8Confident55.1Low12 Ų1257.2 Ų57.28%0.07833%0.326CS..PPolyproline II helixtrans-60.2154.9173.725.6-30.8000111.1I499 D525 H574 C952P497-I499 PolarHBondContact O-N 3.35Å; P497-D525 HydrophobicContact CG-CB 4.13Å; P497-H574 WeakPolarHBondContact CD-NE2 3.35Å; P497-C952 WeakPolarHBondContact CB-O 3.43Å
498P67.6Low53.5Low35 Ų3559.3 Ų59.323%0.22734%0.34CS..PPolyproline II helixtrans-58.7140.1176.123.8-31.1000110.6K500 N1089 C1271P498-K500 PolarHBondContact O-N 2.98Å; P498-N1089 WeakPolarHBondContact CG-OD1 3.16Å; P498-C1271 HydrophobicContact CB-CB 4.32Å
499I61.3Low52.3Low56 Ų5665.4 Ų65.429%0.28737%0.369SS..  trans-67109.2178.4-62.2150.9000108.4P497 V1263 K1266P497-I499 PolarHBondContact O-N 3.35Å; I499-V1263 HydrophobicContact CD1-CG1 3.63Å; I499-V1263 HydrophobicContact CG1-CG1 4.22Å; I499-V1263 HydrophobicContact CG2-CG1 4.26Å; I499-K1266 HydrophobicContact CG1-CB 4.42Å; I499-K1266 HydrophobicContact CG1-CD 4.3Å; I499-K1266 HydrophobicContact CG2-CD 4.24Å
500K54.8Low50.8Low69 Ų6973 Ų7330%0.340%0.404SS..PPolyproline II helixtrans-70.8128.3165.7-64.8-176.5-174.5173.70109P498 I502 N524P498-K500 PolarHBondContact O-N 2.98Å; K500-I502 PolarHBondContact O-N 2.9Å; K500-N524 PolarHBondContact NZ-OD1 3.24Å
501P41.4Very low49.2Very low62 Ų6272.2 Ų72.240%0.40342%0.416SS..PPolyproline II helixtrans-61.5123.3169.626.2-30.5000107.6N503P501-N503 PolarHBondContact O-N 3.25Å; P501-N503 VanDerWaalsContact O-N 3.11Å
502I35.4Very low47.8Very low139 Ų13974.5 Ų74.571%0.71343%0.428SS*.PPolyproline II helixtrans-63.7118.1173.2-62.8168.1000106K500 T504K500-I502 PolarHBondContact O-N 2.9Å; I502-T504 PolarHBondContact O-N 2.94Å
503N30.7Very low46.1Very low92 Ų9277 Ų7749%0.49246%0.457SS..  trans-59.799.9175.5-83.2-27000109.3P501 S505 V506P501-N503 PolarHBondContact O-N 3.25Å; P501-N503 VanDerWaalsContact O-N 3.11Å; N503-S505 PolarHBondContact O-N 3.5Å; N503-V506 PolarHBondContact O-N 2.99Å
504T27.1Very low44.4Very low74 Ų7482.7 Ų82.745%0.45448%0.483SS..THydrogen-bonded Turntrans-69.319.3176.338.80000114I502 V506I502-T504 PolarHBondContact O-N 2.94Å; T504-V506 VanDerWaalsContact C-N 3.31Å
505S26.8Very low42.5Very low99 Ų9990 Ų9069%0.69252%0.517SS*.THydrogen-bonded Turntrans-78.7-15.8166.756.80000112.6N503 T507N503-S505 PolarHBondContact O-N 3.5Å; S505-T507 VanDerWaalsContact C-N 3.28Å; S505-T507 PolarHBondContact O-N 3.08Å
506V26.3Very low41.2Very low114 Ų11496.4 Ų96.469%0.69155%0.547SS*.SBendtrans-81.286.3169.1-170.80000108.4N503 T504N503-V506 PolarHBondContact O-N 2.99Å; T504-V506 VanDerWaalsContact C-N 3.31Å
507T25.2Very low40.6Very low92 Ų92100.7 Ų100.756%0.56457%0.57SS**  trans7122.2148.435.80000116.8S505 Q509S505-T507 VanDerWaalsContact C-N 3.28Å; S505-T507 PolarHBondContact O-N 3.08Å; T507-Q509 PolarHBondContact O-N 3.33Å
508S24Very low40.5Very low88 Ų88102.1 Ų102.162%0.61558%0.577SS**  trans-53.271.3140.8520000110.5
509Q27Very low41Very low139 Ų139102.3 Ų102.365%0.6558%0.579SS**  trans-80.7125.7147.2-73-166.91.500105.8T507 S511T507-Q509 PolarHBondContact O-N 3.33Å; Q509-S511 PolarHBondContact O-N 3.39Å
510Q26.4Very low41.8Very low171 Ų171104.7 Ų104.780%0.79959%0.589SS**  trans-42.4134.7-175.4-68.3162.4-13.200110.7T512Q510-T512 VanDerWaalsContact C-N 3.26Å; Q510-T512 PolarHBondContact O-N 3.14Å
511S26.6Very low43Very low121 Ų121104.7 Ų104.785%0.84659%0.592SS**  trans-48.888.316953.30000111.6Q509Q509-S511 PolarHBondContact O-N 3.39Å
512T30.7Very low44.9Very low120 Ų120101.8 Ų101.874%0.73657%0.573SS**SBendtrans-107.978.3147.752.10000106.3Q510 E514Q510-T512 VanDerWaalsContact C-N 3.26Å; Q510-T512 PolarHBondContact O-N 3.14Å; T512-E514 VanDerWaalsContact C-N 3.26Å; T512-E514 PolarHBondContact O-N 2.64Å
513G32.7Very low47.2Very low73 Ų7395.2 Ų95.275%0.75354%0.54SS*.  trans37.548.3164.700000116.5E515G513-E515 VanDerWaalsContact C-N 3.34Å; G513-E515 PolarHBondContact O-N 3.3Å
514E39.7Very low49.6Very low133 Ų13393.2 Ų93.262%0.62153%0.529SS*.  trans-66.1101.7172-70.2-168.7167.600106.8T512 H516T512-E514 VanDerWaalsContact C-N 3.26Å; T512-E514 PolarHBondContact O-N 2.64Å; E514-H516 PolarHBondContact O-N 2.82Å
515E43.8Very low52.5Low190 Ų19090.7 Ų90.789%0.88851%0.512SS*.  trans-46.7111.2166.9-69-179.4151.600106.5G513 D517G513-E515 VanDerWaalsContact C-N 3.34Å; G513-E515 PolarHBondContact O-N 3.3Å; E515-D517 PolarHBondContact O-N 2.78Å
516H54Low55.6Low144 Ų14486 Ų8667%0.66748%0.479SS*.  trans-49.2129.8167.7-87.817.2000107.1E514 D518 L521E514-H516 PolarHBondContact O-N 2.82Å; H516-D518 VanDerWaalsContact C-N 3.33Å; H516-D518 PolarHBondContact O-N 3.24Å; H516-L521 HydrophobicContact CB-CD1 3.95Å; H516-L521 HydrophobicContact CB-CG 4.45Å
517D69.6Low58.7Low91 Ų9180.6 Ų80.649%0.48745%0.447SS..  trans-60.8102.5176.3-173.8-4.6000107.1E515 S519 E520 L521E515-D517 PolarHBondContact O-N 2.78Å; D517-S519 PolarHBondContact O-N 3.21Å; D517-S519 WeakPolarHBondContact OD1-CB 3.28Å; D517-S519 PolarHBondContact OD1-N 3.07Å; D517-S519 PolarHBondContact OD1-OG 3.18Å; D517-E520 HydrophobicContact CB-CB 4.09Å; D517-E520 WeakPolarHBondContact O-CA 3.37Å; D517-E520 WeakPolarHBondContact O-CB 3.32Å; D517-E520 PolarHBondContact O-N 2.92Å; D517-L521 PolarHBondContact O-N 3.15Å; D517-L521 VanDerWaalsContact O-N 3.14Å
518D78.5Confident61.8Low42 Ų4278.9 Ų78.923%0.22543%0.433CS..Hα-helixtrans-55.3-25.8-179.2-82.2-30.7000110F424 H516 A522 F529 R533F424-D518 HydrophobicContact CE1-CB 4.04Å; F424-D518 HydrophobicContact CZ-CB 3.77Å; H516-D518 VanDerWaalsContact C-N 3.33Å; H516-D518 PolarHBondContact O-N 3.24Å; D518-A522 VanDerWaalsContact O-CB 3.29Å; D518-A522 WeakPolarHBondContact O-CB 3.48Å; D518-A522 PolarHBondContact O-N 3.17Å; D518-F529 HydrophobicContact CB-CE2 4.16Å; D518-R533 IonicContact OD1-CZ 3.61Å; D518-R533 IonicContact OD1-NE 3.44Å; D518-R533 PolarHBondContact OD1-NE 3.41Å; D518-R533 IonicContact OD1-NH2 3.75Å; D518-R533 PolarHBondContact OD1-NH2 3.24Å; D518-R533 IonicContact OD2-CZ 3.63Å; D518-R533 IonicContact OD2-NE 3.42Å; D518-R533 PolarHBondContact OD2-NE 3.03Å; D518-R533 IonicContact OD2-NH2 3.04Å; D518-R533 PolarHBondContact OD2-NH2 3.32Å
519S78.7Confident65Low40 Ų4075.3 Ų75.328%0.2841%0.406SS..Hα-helixtrans-65.7-42.8174-35.70000111.9D517 A522 A523D517-S519 PolarHBondContact O-N 3.21Å; D517-S519 WeakPolarHBondContact OD1-CB 3.28Å; D517-S519 PolarHBondContact OD1-N 3.07Å; D517-S519 PolarHBondContact OD1-OG 3.18Å; S519-A522 PolarHBondContact O-N 3.28Å; S519-A523 WeakPolarHBondContact O-CB 3.43Å; S519-A523 PolarHBondContact O-N 3.15Å
520E77.5Confident68.1Low106 Ų10668.7 Ų68.750%0.49538%0.375SS..Hα-helixtrans-67.4-40.2177.4-168.8-178.6178.800110.9D517 A523 N524D517-E520 HydrophobicContact CB-CB 4.09Å; D517-E520 WeakPolarHBondContact O-CA 3.37Å; D517-E520 WeakPolarHBondContact O-CB 3.32Å; D517-E520 PolarHBondContact O-N 2.92Å; E520-A523 PolarHBondContact O-N 3.35Å; E520-N524 WeakPolarHBondContact O-CB 3.48Å; E520-N524 VanDerWaalsContact O-CG 3.3Å; E520-N524 PolarHBondContact O-N 3.39Å; E520-N524 PolarHBondContact O-ND2 2.69Å; E520-N524 VanDerWaalsContact O-ND2 3.14Å
521L79.9Confident71.3Confident69 Ų6961.2 Ų61.236%0.36134%0.34SS..Hα-helixtrans-61.3-45.9173.2-67.7178.6000111.6H516 D517 A523 N524 D525H516-L521 HydrophobicContact CB-CD1 3.95Å; H516-L521 HydrophobicContact CB-CG 4.45Å; D517-L521 PolarHBondContact O-N 3.15Å; D517-L521 VanDerWaalsContact O-N 3.14Å; L521-A523 VanDerWaalsContact C-N 3.33Å; L521-A523 PolarHBondContact O-N 3.04Å; L521-N524 PolarHBondContact O-N 2.76Å; L521-D525 PolarHBondContact O-N 3.34Å
522A83Confident74.3Confident0 Ų058.4 Ų58.40%032%0.315CS..Hα-helixtrans-63.9-36.3177.500000113L423 F424 D518 S519 P526 F529L423-A522 HydrophobicContact CD1-CB 4.17Å; F424-A522 HydrophobicContact CE2-CB 3.88Å; F424-A522 HydrophobicContact CZ-CB 4.34Å; D518-A522 VanDerWaalsContact O-CB 3.29Å; D518-A522 WeakPolarHBondContact O-CB 3.48Å; D518-A522 PolarHBondContact O-N 3.17Å; S519-A522 PolarHBondContact O-N 3.28Å; A522-P526 WeakPolarHBondContact O-CA 3.43Å; A522-F529 HydrophobicContact CB-CB 4.23Å; A522-F529 HydrophobicContact CB-CD1 3.77Å; A522-F529 HydrophobicContact CB-CD2 3.88Å; A522-F529 HydrophobicContact CB-CE1 4.12Å; A522-F529 HydrophobicContact CB-CE2 4.22Å; A522-F529 HydrophobicContact CB-CG 3.66Å; A522-F529 HydrophobicContact CB-CZ 4.35Å
523A82.3Confident77.1Confident2 Ų259.3 Ų59.32%0.01731%0.305CS..Hα-helixtrans-73.3-32.9177.400000112.7L401 S519 E520 L521 C952L401-A523 WeakPolarHBondContact O-CA 3.46Å; L401-A523 WeakPolarHBondContact O-CB 3.25Å; S519-A523 WeakPolarHBondContact O-CB 3.43Å; S519-A523 PolarHBondContact O-N 3.15Å; E520-A523 PolarHBondContact O-N 3.35Å; L521-A523 VanDerWaalsContact C-N 3.33Å; L521-A523 PolarHBondContact O-N 3.04Å; A523-C952 WeakPolarHBondContact O-CB 3.24Å
524N82.1Confident79.7Confident49 Ų4957 Ų5726%0.26228%0.277SS..Hα-helixtrans-80.6-45.3179.5-76.3-34.4000112.8K500 E520 L521 C952K500-N524 PolarHBondContact NZ-OD1 3.24Å; E520-N524 WeakPolarHBondContact O-CB 3.48Å; E520-N524 VanDerWaalsContact O-CG 3.3Å; E520-N524 PolarHBondContact O-N 3.39Å; E520-N524 PolarHBondContact O-ND2 2.69Å; E520-N524 VanDerWaalsContact O-ND2 3.14Å; L521-N524 PolarHBondContact O-N 2.76Å; N524-C952 WeakPolarHBondContact O-CB 3.24Å
525D88.6Confident82.2Confident21 Ų2156.5 Ų56.511%0.11227%0.273CS..  trans-13988178.1-166.2-27.9000110.9P497 L521 V527 E528 F529 H574P497-D525 HydrophobicContact CG-CB 4.13Å; L521-D525 PolarHBondContact O-N 3.34Å; D525-V527 PolarHBondContact O-N 3.42Å; D525-V527 PolarHBondContact OD1-N 3.46Å; D525-E528 HydrophobicContact CB-CB 4.03Å; D525-E528 WeakPolarHBondContact OD1-CB 3.39Å; D525-E528 PolarHBondContact OD1-N 3.1Å; D525-E528 WeakPolarHBondContact OD2-CB 3.4Å; D525-F529 VanDerWaalsContact O-CB 3.26Å; D525-F529 WeakPolarHBondContact O-CB 3.39Å; D525-F529 PolarHBondContact O-N 3.36Å; D525-H574 IonicContact OD1-CE1 2.7Å; D525-H574 IonicContact OD1-NE2 3.79Å; D525-H574 PolarHBondContact OD1-NE2 2.62Å; D525-H574 IonicContact OD2-CE1 3.66Å; D525-H574 PolarHBondContact OD2-CE1 3.48Å; D525-H574 IonicContact OD2-NE2 2.63Å; D525-H574 PolarHBondContact OD2-NE2 2.85Å
526P90.1Very high84.6Confident0 Ų047.5 Ų47.50%023%0.231CC..Hα-helixtrans-66.6-27.3-177.527.1-36.1000112.6L401 L423 I468 A522 L530 C952 L953L401-P526 HydrophobicContact CD1-CG 4.41Å; L401-P526 HydrophobicContact CD2-CB 4.3Å; L423-P526 HydrophobicContact CD1-CB 3.6Å; I468-P526 HydrophobicContact CD1-CB 4.46Å; A522-P526 WeakPolarHBondContact O-CA 3.43Å; P526-L530 WeakPolarHBondContact O-CB 3.27Å; P526-L530 WeakPolarHBondContact O-CG 3.37Å; P526-L530 PolarHBondContact O-N 3.39Å; P526-L530 VanDerWaalsContact O-N 3.13Å; P526-C952 HydrophobicContact CG-CB 4.4Å; P526-L953 HydrophobicContact CG-CD2 3.88Å; P526-L953 HydrophobicContact CG-CG 4.31Å
527V91.9Very high86.5Confident1 Ų140.8 Ų40.81%0.00620%0.2CC..Hα-helixtrans-76.3-50.4-177.4-171.60000109.9I468 D525 F529 L530 F531 H574 L953I468-V527 HydrophobicContact CG2-CG2 3.54Å; D525-V527 PolarHBondContact O-N 3.42Å; D525-V527 PolarHBondContact OD1-N 3.46Å; V527-F529 VanDerWaalsContact C-N 3.33Å; V527-F529 PolarHBondContact O-N 3.25Å; V527-L530 PolarHBondContact O-N 2.81Å; V527-F531 HydrophobicContact CG1-CD2 4.05Å; V527-F531 HydrophobicContact CG1-CE2 4.34Å; V527-F531 WeakPolarHBondContact O-CD2 3.39Å; V527-F531 PolarHBondContact O-N 2.87Å; V527-F531 VanDerWaalsContact O-N 3.1Å; V527-H574 HydrophobicContact CG1-CB 3.79Å; V527-L953 HydrophobicContact CG2-CD2 3.99Å
528E90.2Very high87.6Confident57 Ų5743.9 Ų43.927%0.26621%0.205SC..Hα-helixtrans-60.1-45.2176.4-169.6175.5-153.300110.7D525 L530 F531 I532D525-E528 HydrophobicContact CB-CB 4.03Å; D525-E528 WeakPolarHBondContact OD1-CB 3.39Å; D525-E528 PolarHBondContact OD1-N 3.1Å; D525-E528 WeakPolarHBondContact OD2-CB 3.4Å; E528-L530 PolarHBondContact O-N 3.11Å; E528-F531 PolarHBondContact O-N 3.04Å; E528-I532 HydrophobicContact CG-CB 4.33Å; E528-I532 HydrophobicContact CG-CD1 3.48Å; E528-I532 VanDerWaalsContact CG-CD1 3.48Å; E528-I532 HydrophobicContact CG-CG1 3.92Å; E528-I532 WeakPolarHBondContact O-CA 3.46Å; E528-I532 VanDerWaalsContact O-CB 3.27Å; E528-I532 WeakPolarHBondContact O-CB 3.44Å; E528-I532 PolarHBondContact O-N 3.3Å
529F90.8Very high88.1Confident12 Ų1244.4 Ų44.45%0.05320%0.204CC..Iπ-helixtrans-55.2-49.6175.9172.5-95.3000112L423 F424 D518 A522 D525 V527 R533 S534L423-F529 HydrophobicContact CB-CD1 4.37Å; L423-F529 HydrophobicContact CB-CE1 4.13Å; L423-F529 HydrophobicContact CD1-CD1 4.14Å; F424-F529 AromaticContact CD1-CZ 3.97Å; F424-F529 HydrophobicContact CD1-CZ 3.97Å; F424-F529 HydrophobicContact CD2-CZ 4.45Å; F424-F529 HydrophobicContact CE1-CE1 4.36Å; F424-F529 AromaticContact CE1-CE2 3.88Å; F424-F529 HydrophobicContact CE1-CE2 3.88Å; F424-F529 AromaticContact CE1-CZ 3.36Å; F424-F529 HydrophobicContact CE1-CZ 3.36Å; F424-F529 HydrophobicContact CE2-CE1 4.34Å; F424-F529 HydrophobicContact CE2-CE2 4.42Å; F424-F529 AromaticContact CE2-CZ 3.9Å; F424-F529 HydrophobicContact CE2-CZ 3.9Å; F424-F529 HydrophobicContact CG-CZ 4.48Å; F424-F529 HydrophobicContact CZ-CE1 4.17Å; F424-F529 AromaticContact CZ-CE2 3.62Å; F424-F529 HydrophobicContact CZ-CE2 3.62Å; F424-F529 AromaticContact CZ-CZ 3.31Å; F424-F529 HydrophobicContact CZ-CZ 3.31Å; D518-F529 HydrophobicContact CB-CE2 4.16Å; A522-F529 HydrophobicContact CB-CB 4.23Å; A522-F529 HydrophobicContact CB-CD1 3.77Å; A522-F529 HydrophobicContact CB-CD2 3.88Å; A522-F529 HydrophobicContact CB-CE1 4.12Å; A522-F529 HydrophobicContact CB-CE2 4.22Å; A522-F529 HydrophobicContact CB-CG 3.66Å; A522-F529 HydrophobicContact CB-CZ 4.35Å; D525-F529 VanDerWaalsContact O-CB 3.26Å; D525-F529 WeakPolarHBondContact O-CB 3.39Å; D525-F529 PolarHBondContact O-N 3.36Å; V527-F529 VanDerWaalsContact C-N 3.33Å; V527-F529 PolarHBondContact O-N 3.25Å; F529-R533 HydrophobicContact CD2-CB 3.85Å; F529-R533 HydrophobicContact CD2-CG 3.95Å; F529-R533 HydrophobicContact CE2-CB 4.16Å; F529-R533 HydrophobicContact CE2-CG 3.85Å; F529-R533 WeakPolarHBondContact O-CB 3.46Å; F529-R533 PolarHBondContact O-N 3.33Å; F529-R533 VanDerWaalsContact O-N 3.11Å; F529-S534 PolarHBondContact O-N 3.39Å
530L92.4Very high88.8Confident0 Ų042.7 Ų42.70%019%0.192CC..Iπ-helixtrans-61.9-49.7-179.2-82-171.8000112.4L423 L464 I468 P526 V527 E528 S534 K535 L536L423-L530 HydrophobicContact CB-CD2 4.28Å; L423-L530 HydrophobicContact CD2-CD1 3.98Å; L423-L530 HydrophobicContact CD2-CD2 3.99Å; L423-L530 HydrophobicContact CD2-CG 4Å; L464-L530 HydrophobicContact CD2-CD1 4.07Å; L464-L530 HydrophobicContact CD2-CD2 4.26Å; I468-L530 HydrophobicContact CD1-CD1 3.14Å; I468-L530 HydrophobicContact CD1-CG 4.12Å; P526-L530 WeakPolarHBondContact O-CB 3.27Å; P526-L530 WeakPolarHBondContact O-CG 3.37Å; P526-L530 PolarHBondContact O-N 3.39Å; P526-L530 VanDerWaalsContact O-N 3.13Å; V527-L530 PolarHBondContact O-N 2.81Å; E528-L530 PolarHBondContact O-N 3.11Å; L530-S534 WeakPolarHBondContact CA-OG 3.49Å; L530-S534 PolarHBondContact O-OG 2.87Å; L530-K535 PolarHBondContact O-N 3.19Å; L530-L536 HydrophobicContact CB-CD2 4.26Å; L530-L536 HydrophobicContact CD1-CD2 4.17Å; L530-L536 WeakPolarHBondContact O-CB 3.49Å; L530-L536 PolarHBondContact O-N 2.73Å; L530-L536 VanDerWaalsContact O-N 3.11Å
531F93.3Very high89.5Confident14 Ų1437.9 Ų37.96%0.06117%0.17CC..Iπ-helixtrans-80.7-40-172.3-76.6-75000113.2V527 E528 L536 A537 L567 I582V527-F531 HydrophobicContact CG1-CD2 4.05Å; V527-F531 HydrophobicContact CG1-CE2 4.34Å; V527-F531 WeakPolarHBondContact O-CD2 3.39Å; V527-F531 PolarHBondContact O-N 2.87Å; V527-F531 VanDerWaalsContact O-N 3.1Å; E528-F531 PolarHBondContact O-N 3.04Å; F531-L536 HydrophobicContact CE1-CD2 4.45Å; F531-L536 HydrophobicContact CZ-CD2 4.48Å; F531-A537 HydrophobicContact CD1-CB 4.19Å; F531-L567 HydrophobicContact CZ-CG 4.31Å; F531-L567 WeakPolarHBondContact CZ-O 3.37Å; F531-I582 HydrophobicContact CB-CD1 4.3Å; F531-I582 HydrophobicContact CB-CG1 4.31Å; F531-I582 HydrophobicContact CD1-CD1 3.5Å; F531-I582 VanDerWaalsContact CD1-CD1 3.5Å; F531-I582 HydrophobicContact CD1-CG1 3.63Å; F531-I582 HydrophobicContact CD2-CD1 4.3Å; F531-I582 HydrophobicContact CE1-CD1 3.78Å; F531-I582 HydrophobicContact CE1-CG1 4.2Å; F531-I582 HydrophobicContact CG-CD1 3.78Å; F531-I582 HydrophobicContact CG-CG1 4.12Å; F531-I582 HydrophobicContact CZ-CD1 4.3Å
532I90.2Very high89.8Confident63 Ų6339.3 Ų39.332%0.32317%0.171SC..Iπ-helixtrans-88.4-59.8-176.3-54.2-166.5000110.9E528 K535 T578E528-I532 HydrophobicContact CG-CB 4.33Å; E528-I532 HydrophobicContact CG-CD1 3.48Å; E528-I532 VanDerWaalsContact CG-CD1 3.48Å; E528-I532 HydrophobicContact CG-CG1 3.92Å; E528-I532 WeakPolarHBondContact O-CA 3.46Å; E528-I532 VanDerWaalsContact O-CB 3.27Å; E528-I532 WeakPolarHBondContact O-CB 3.44Å; E528-I532 PolarHBondContact O-N 3.3Å; I532-K535 WeakPolarHBondContact O-CG 3.49Å; I532-T578 HydrophobicContact CD1-CG2 3.77Å; I532-T578 HydrophobicContact CG1-CG2 3.99Å
533R88.7Confident90.1Very high139 Ų13939.5 Ų39.553%0.52517%0.172SC..Iπ-helixtrans-74.5-49.6-171.1-174.565.5177.7104.82.9112D518 F529 K535D518-R533 IonicContact OD1-CZ 3.61Å; D518-R533 IonicContact OD1-NE 3.44Å; D518-R533 PolarHBondContact OD1-NE 3.41Å; D518-R533 IonicContact OD1-NH2 3.75Å; D518-R533 PolarHBondContact OD1-NH2 3.24Å; D518-R533 IonicContact OD2-CZ 3.63Å; D518-R533 IonicContact OD2-NE 3.42Å; D518-R533 PolarHBondContact OD2-NE 3.03Å; D518-R533 IonicContact OD2-NH2 3.04Å; D518-R533 PolarHBondContact OD2-NH2 3.32Å; F529-R533 HydrophobicContact CD2-CB 3.85Å; F529-R533 HydrophobicContact CD2-CG 3.95Å; F529-R533 HydrophobicContact CE2-CB 4.16Å; F529-R533 HydrophobicContact CE2-CG 3.85Å; F529-R533 WeakPolarHBondContact O-CB 3.46Å; F529-R533 PolarHBondContact O-N 3.33Å; F529-R533 VanDerWaalsContact O-N 3.11Å; R533-K535 VanDerWaalsContact C-N 3.27Å; R533-K535 PolarHBondContact O-N 2.92Å
534S88.5Confident90.4Very high25 Ų2539.4 Ų39.418%0.17517%0.171CC..SBendtrans-79.9-9.2-179.2100.90000113.5R427 F529 L530 L536R427-S534 WeakPolarHBondContact CD-OG 3.38Å; R427-S534 PolarHBondContact NE-O 2.86Å; R427-S534 VanDerWaalsContact NE-O 3.13Å; R427-S534 PolarHBondContact NE-OG 3.42Å; F529-S534 PolarHBondContact O-N 3.39Å; L530-S534 WeakPolarHBondContact CA-OG 3.49Å; L530-S534 PolarHBondContact O-OG 2.87Å; S534-L536 PolarHBondContact O-N 3.14Å
535K91.7Very high90.6Very high122 Ų12237 Ų3753%0.5316%0.158SC..  trans51.840.5179.5-60.7-179.3-179.2174.10113L530 I532 R533 A537 R538 R539L530-K535 PolarHBondContact O-N 3.19Å; I532-K535 WeakPolarHBondContact O-CG 3.49Å; R533-K535 VanDerWaalsContact C-N 3.27Å; R533-K535 PolarHBondContact O-N 2.92Å; K535-A537 VanDerWaalsContact C-N 3.26Å; K535-A537 PolarHBondContact O-N 3.16Å; K535-R538 HydrophobicContact CB-CB 4.36Å; K535-R538 WeakPolarHBondContact O-CB 3.31Å; K535-R538 PolarHBondContact O-N 3.28Å; K535-R539 PolarHBondContact O-N 2.85Å
536L94.8Very high90.1Very high1 Ų139.9 Ų39.91%0.00518%0.178CC..Hα-helixtrans-53.3-42.1-176.6179.462.4000112.6L430 L464 L530 F531 S534 R538 R539 I540 L567L430-L536 HydrophobicContact CD2-CD1 3.71Å; L464-L536 HydrophobicContact CD1-CD1 4.31Å; L464-L536 HydrophobicContact CD1-CD2 4.4Å; L530-L536 HydrophobicContact CB-CD2 4.26Å; L530-L536 HydrophobicContact CD1-CD2 4.17Å; L530-L536 WeakPolarHBondContact O-CB 3.49Å; L530-L536 PolarHBondContact O-N 2.73Å; L530-L536 VanDerWaalsContact O-N 3.11Å; F531-L536 HydrophobicContact CE1-CD2 4.45Å; F531-L536 HydrophobicContact CZ-CD2 4.48Å; S534-L536 PolarHBondContact O-N 3.14Å; L536-R538 VanDerWaalsContact C-N 3.32Å; L536-R538 PolarHBondContact O-N 2.95Å; L536-R539 WeakPolarHBondContact O-CB 3.02Å; L536-R539 PolarHBondContact O-N 3.31Å; L536-I540 HydrophobicContact CD1-CD1 4.38Å; L536-I540 HydrophobicContact CD1-CG1 4.5Å; L536-I540 HydrophobicContact CG-CD1 3.93Å; L536-I540 HydrophobicContact CG-CG1 4.49Å; L536-I540 WeakPolarHBondContact O-CG1 3.33Å; L536-I540 PolarHBondContact O-N 3.2Å; L536-L567 HydrophobicContact CD2-CD2 4.08Å
537A93.8Very high89.3Confident3 Ų342.1 Ų42.13%0.02520%0.201CC..Hα-helixtrans-58-40.1178.300000112.9F531 K535 R539 I540 A541 I582 T585 L588F531-A537 HydrophobicContact CD1-CB 4.19Å; K535-A537 VanDerWaalsContact C-N 3.26Å; K535-A537 PolarHBondContact O-N 3.16Å; A537-R539 VanDerWaalsContact C-N 3.28Å; A537-R539 PolarHBondContact O-N 3.15Å; A537-I540 PolarHBondContact O-N 3.34Å; A537-A541 WeakPolarHBondContact O-CB 3.41Å; A537-A541 PolarHBondContact O-N 3.48Å; A537-I582 HydrophobicContact CB-CG1 4.37Å; A537-I582 HydrophobicContact CB-CG2 4.16Å; A537-T585 HydrophobicContact CB-CG2 3.64Å; A537-L588 HydrophobicContact CB-CD2 4.22Å
538R92Very high88.2Confident155 Ų15552.5 Ų52.559%0.58525%0.246SC*.Hα-helixtrans-64.3-34.4175.7-175.4176.1179.5176.3-0.4111.7K535 L536 W542K535-R538 HydrophobicContact CB-CB 4.36Å; K535-R538 WeakPolarHBondContact O-CB 3.31Å; K535-R538 PolarHBondContact O-N 3.28Å; L536-R538 VanDerWaalsContact C-N 3.32Å; L536-R538 PolarHBondContact O-N 2.95Å; R538-W542 PolarHBondContact O-N 2.66Å
539R90.5Very high87Confident53 Ų5352.6 Ų52.620%0.226%0.262CS..Hα-helixtrans-72.3-40.7177-165.665.6160.2165.8-0.5112R427 D431 K535 L536 A537 A541 W542 L543R427-R539 VanDerWaalsContact NH1-CB 3.27Å; D431-R539 PolarHBondContact O-NH2 2.88Å; D431-R539 VanDerWaalsContact OD1-CD 3.27Å; D431-R539 WeakPolarHBondContact OD1-CD 3.31Å; D431-R539 VanDerWaalsContact OD1-CG 3.31Å; D431-R539 WeakPolarHBondContact OD1-CG 3.19Å; D431-R539 IonicContact OD1-CZ 3.12Å; D431-R539 IonicContact OD1-NE 3.64Å; D431-R539 PolarHBondContact OD1-NE 3.35Å; K535-R539 PolarHBondContact O-N 2.85Å; L536-R539 WeakPolarHBondContact O-CB 3.02Å; L536-R539 PolarHBondContact O-N 3.31Å; A537-R539 VanDerWaalsContact C-N 3.28Å; A537-R539 PolarHBondContact O-N 3.15Å; R539-A541 VanDerWaalsContact C-N 3.3Å; R539-A541 PolarHBondContact O-N 2.88Å; R539-W542 PolarHBondContact O-N 2.6Å; R539-L543 WeakPolarHBondContact O-CB 3.37Å; R539-L543 PolarHBondContact O-N 3.43Å
540I93.1Very high86.1Confident5 Ų556 Ų563%0.02628%0.275CS..Hα-helixtrans-59.8-44.7172.9-65.6164.6000109.7L536 A537 W542 L543 L544 L564 L588L536-I540 HydrophobicContact CD1-CD1 4.38Å; L536-I540 HydrophobicContact CD1-CG1 4.5Å; L536-I540 HydrophobicContact CG-CD1 3.93Å; L536-I540 HydrophobicContact CG-CG1 4.49Å; L536-I540 WeakPolarHBondContact O-CG1 3.33Å; L536-I540 PolarHBondContact O-N 3.2Å; A537-I540 PolarHBondContact O-N 3.34Å; I540-W542 VanDerWaalsContact C-N 3.34Å; I540-W542 PolarHBondContact O-N 2.83Å; I540-L543 WeakPolarHBondContact O-CB 3.39Å; I540-L543 PolarHBondContact O-N 3.44Å; I540-L544 HydrophobicContact CG2-CD1 3.83Å; I540-L544 HydrophobicContact CG2-CG 4.4Å; I540-L544 WeakPolarHBondContact O-CG 3.36Å; I540-L544 PolarHBondContact O-N 3.43Å; I540-L564 HydrophobicContact CD1-CD1 3.82Å; I540-L564 HydrophobicContact CG1-CD1 4.22Å; I540-L564 HydrophobicContact CG2-CD1 3.88Å; I540-L564 HydrophobicContact CG2-CD2 4.37Å; I540-L588 HydrophobicContact CB-CD1 4.24Å; I540-L588 HydrophobicContact CG2-CD1 3.65Å
541A91.2Very high84.9Confident5 Ų556.2 Ų56.24%0.04128%0.276CS..Hα-helixtrans-59.3-43.9175.100000112A537 R539 L543 L544 A545 L588A537-A541 WeakPolarHBondContact O-CB 3.41Å; A537-A541 PolarHBondContact O-N 3.48Å; R539-A541 VanDerWaalsContact C-N 3.3Å; R539-A541 PolarHBondContact O-N 2.88Å; A541-L543 VanDerWaalsContact C-N 3.32Å; A541-L543 PolarHBondContact O-N 3.25Å; A541-L544 PolarHBondContact O-N 3.41Å; A541-A545 WeakPolarHBondContact O-CB 3.08Å; A541-A545 PolarHBondContact O-N 3.21Å; A541-L588 HydrophobicContact CB-CB 3.91Å; A541-L588 HydrophobicContact CB-CD1 4.2Å
542W87.1Confident84Confident99 Ų9957.2 Ų57.238%0.37529%0.291SS..Hα-helixtrans-63.7-35.7176.6-172.3-80.3000113.4R538 R539 I540 R550R538-W542 PolarHBondContact O-N 2.66Å; R539-W542 PolarHBondContact O-N 2.6Å; I540-W542 VanDerWaalsContact C-N 3.34Å; I540-W542 PolarHBondContact O-N 2.83Å; W542-R550 HydrophobicContact CZ2-CG 4.39Å
543L88.9Confident83.5Confident3 Ų354.7 Ų54.72%0.01628%0.279CS..Hα-helixtrans-67.7-44.3177.7170.665.4000111.6V434 L437 V457 I461 R539 I540 A541 A551 G552 V553 L555V434-L543 HydrophobicContact CG2-CD1 4.23Å; L437-L543 HydrophobicContact CD1-CD1 4.46Å; V457-L543 HydrophobicContact CG1-CD1 4.28Å; V457-L543 HydrophobicContact CG1-CD2 3.57Å; I461-L543 HydrophobicContact CD1-CD2 4.47Å; R539-L543 WeakPolarHBondContact O-CB 3.37Å; R539-L543 PolarHBondContact O-N 3.43Å; I540-L543 WeakPolarHBondContact O-CB 3.39Å; I540-L543 PolarHBondContact O-N 3.44Å; A541-L543 VanDerWaalsContact C-N 3.32Å; A541-L543 PolarHBondContact O-N 3.25Å; L543-A551 HydrophobicContact CD1-CB 4.34Å; L543-G552 PolarHBondContact O-N 3Å; L543-V553 HydrophobicContact CD1-CB 3.85Å; L543-V553 HydrophobicContact CD1-CG1 4.26Å; L543-V553 HydrophobicContact CD1-CG2 4.01Å; L543-V553 PolarHBondContact O-N 3.29Å; L543-V553 VanDerWaalsContact O-N 3.08Å; L543-L555 HydrophobicContact CD2-CD2 4.25Å
544L89Confident83.1Confident0 Ų050.1 Ų50.10%027%0.267CS..Hα-helixtrans-88.5-36.7-172.9-63178.1000113.8I540 A541 L555 L564 A591 L592 Y596I540-L544 HydrophobicContact CG2-CD1 3.83Å; I540-L544 HydrophobicContact CG2-CG 4.4Å; I540-L544 WeakPolarHBondContact O-CG 3.36Å; I540-L544 PolarHBondContact O-N 3.43Å; A541-L544 PolarHBondContact O-N 3.41Å; L544-L555 HydrophobicContact CD2-CD1 3.97Å; L544-L555 HydrophobicContact CD2-CG 4Å; L544-L564 HydrophobicContact CD1-CD2 4.09Å; L544-A591 HydrophobicContact CB-CB 3.95Å; L544-L592 HydrophobicContact CD1-CD2 3.64Å; L544-L592 HydrophobicContact CD1-CG 4.24Å; L544-Y596 HydrophobicContact CD2-CE2 4.2Å
545A86.1Confident83Confident0 Ų049.1 Ų49.10%026%0.26CS..SBendtrans-67.5134.5-169.600000112.3A541 E587 A591A541-A545 WeakPolarHBondContact O-CB 3.08Å; A541-A545 PolarHBondContact O-N 3.21Å; A545-E587 HydrophobicContact CB-CB 3.75Å; A545-E587 HydrophobicContact CB-CG 4.49Å; A545-A591 HydrophobicContact CB-CB 4.2Å
546P78.1Confident82.8Confident81 Ų8146.1 Ų46.153%0.52625%0.252SS..  trans-68.4149.2174.328.3-33.7000111.3
547G72.8Confident82.2Confident47 Ų4746.6 Ų46.649%0.48526%0.256SS..SBendtrans156.1158.2173.900000114.6G549 R550G547-G549 PolarHBondContact O-N 2.79Å; G547-R550 PolarHBondContact O-N 3.42Å; G547-R550 VanDerWaalsContact O-N 3.15Å
548K68.8Low81.7Confident219 Ų21948.9 Ų48.995%0.95227%0.268SS*.THydrogen-bonded Turntrans-61.8126.6173.4-71.2-177179.1179.40109.8R550K548-R550 VanDerWaalsContact C-N 3.31Å
549G66.3Low81.5Confident59 Ų5941.5 Ų41.561%0.60824%0.24SC*.THydrogen-bonded Turntrans80.53-178.100000115.2G547G547-G549 PolarHBondContact O-N 2.79Å
550R70.9Confident81.4Confident83 Ų8339 Ų3931%0.31323%0.23SC..SBendtrans-101160.7171.9-64.9-174.6179.2173.3-1.5110.7W542 G547 K548W542-R550 HydrophobicContact CZ2-CG 4.39Å; G547-R550 PolarHBondContact O-N 3.42Å; G547-R550 VanDerWaalsContact O-N 3.15Å; K548-R550 VanDerWaalsContact C-N 3.31Å
551A68Low81Confident4 Ų439 Ų393%0.03323%0.231CC..  trans-70.3-41.9-177.700000111.2T438 N441 L543 V553T438-A551 HydrophobicContact CG2-CB 3.78Å; N441-A551 PolarHBondContact ND2-O 3.44Å; L543-A551 HydrophobicContact CD1-CB 4.34Å; A551-V553 VanDerWaalsContact C-N 3.31Å; A551-V553 HydrophobicContact CB-CG2 3.69Å; A551-V553 PolarHBondContact O-N 2.69Å
552G73.9Confident80.7Confident36 Ų3639.6 Ų39.637%0.37123%0.234SC..  trans5743.4178.500000112.5L543L543-G552 PolarHBondContact O-N 3Å
553V79.1Confident80.8Confident10 Ų1035.6 Ų35.66%0.06122%0.219CC..PPolyproline II helixtrans-90.4134.4-167.3168.60000111.2L437 L454 L543 A551 L555L437-V553 HydrophobicContact CD1-CG2 4.44Å; L454-V553 HydrophobicContact CD1-CG1 3.26Å; L543-V553 HydrophobicContact CD1-CB 3.85Å; L543-V553 HydrophobicContact CD1-CG1 4.26Å; L543-V553 HydrophobicContact CD1-CG2 4.01Å; L543-V553 PolarHBondContact O-N 3.29Å; L543-V553 VanDerWaalsContact O-N 3.08Å; A551-V553 VanDerWaalsContact C-N 3.31Å; A551-V553 HydrophobicContact CB-CG2 3.69Å; A551-V553 PolarHBondContact O-N 2.69Å; V553-L555 HydrophobicContact CG1-CD2 4.49Å
554C80.9Confident81.1Confident43 Ų4335.5 Ų35.529%0.29122%0.218SC..PPolyproline II helixtrans-88.2117.2163.9-173.60000109.9N622C554-N622 HydrophobicContact CB-CB 4.42Å; C554-N622 VanDerWaalsContact SG-CB 3.59Å
555L87.2Confident81.2Confident4 Ų435.7 Ų35.72%0.02122%0.22CC..PPolyproline II helixtrans-66.6162.2171.9-58.4175.6000112.4I461 L543 L544 V553 A559 A560 L564 Y596I461-L555 HydrophobicContact CD1-CD1 4.36Å; I461-L555 HydrophobicContact CD1-CD2 4.26Å; L543-L555 HydrophobicContact CD2-CD2 4.25Å; L544-L555 HydrophobicContact CD2-CD1 3.97Å; L544-L555 HydrophobicContact CD2-CG 4Å; V553-L555 HydrophobicContact CG1-CD2 4.49Å; L555-A559 HydrophobicContact CB-CB 4.08Å; L555-A559 HydrophobicContact CD1-CB 4.49Å; L555-A560 HydrophobicContact CB-CB 4.19Å; L555-L564 HydrophobicContact CD1-CD2 3.67Å; L555-Y596 WeakPolarHBondContact CB-OH 3.3Å; L555-Y596 PolarHBondContact N-OH 3.18Å
556T85.6Confident81.4Confident59 Ų5936.4 Ų36.436%0.36223%0.225SC..PPolyproline II helixtrans-69165.1171.751.60000112I458 D558 A559 A560I458-T556 HydrophobicContact CD1-CG2 3.47Å; I458-T556 VanDerWaalsContact CD1-CG2 3.47Å; I458-T556 WeakPolarHBondContact CD1-OG1 3.49Å; T556-D558 PolarHBondContact O-N 3.21Å; T556-A559 PolarHBondContact O-N 3.05Å; T556-A559 WeakPolarHBondContact OG1-CB 3.44Å; T556-A560 WeakPolarHBondContact O-CB 3.47Å; T556-A560 PolarHBondContact O-N 3.28Å
557A82.3Confident82.1Confident10 Ų1032.7 Ų32.78%0.08320%0.2CC..Hα-helixtrans-50-52.9177.100000112.7A559 G561 L618 V621A557-A559 PolarHBondContact O-N 2.85Å; A557-G561 WeakPolarHBondContact O-CA 3.46Å; A557-G561 PolarHBondContact O-N 3.47Å; A557-L618 HydrophobicContact CB-CB 4.39Å; A557-L618 HydrophobicContact CB-CD2 3.82Å; A557-L618 WeakPolarHBondContact CB-O 3.32Å; A557-V621 HydrophobicContact CB-CG2 3.94Å; A557-V621 VanDerWaalsContact N-CG2 3.3Å
558D84.2Confident83.1Confident51 Ų5130.5 Ų30.527%0.27318%0.178SC..Hα-helixtrans-64.1-43.9-177.7-47.4-22.6000111.6T556 L562 W563 C1000T556-D558 PolarHBondContact O-N 3.21Å; D558-L562 WeakPolarHBondContact O-CA 3.39Å; D558-L562 VanDerWaalsContact O-CB 3.25Å; D558-L562 WeakPolarHBondContact O-CB 3.36Å; D558-L562 PolarHBondContact O-N 3.08Å; D558-W563 HydrophobicContact CB-CE3 4.21Å; D558-W563 HydrophobicContact CB-CH2 3.4Å; D558-W563 HydrophobicContact CB-CZ2 3.88Å; D558-W563 HydrophobicContact CB-CZ3 3.59Å; D558-W563 PolarHBondContact O-N 3.16Å; D558-C1000 PolarHBondContact OD1-SG 3.3Å
559A87.9Confident84.2Confident0 Ų020.2 Ų20.20%013%0.133CC..Iπ-helixtrans-67-44.9-178.200000112.4I458 L555 T556 A557 W563 L564I458-A559 HydrophobicContact CG1-CB 4.22Å; I458-A559 HydrophobicContact CG2-CB 4.12Å; L555-A559 HydrophobicContact CB-CB 4.08Å; L555-A559 HydrophobicContact CD1-CB 4.49Å; T556-A559 PolarHBondContact O-N 3.05Å; T556-A559 WeakPolarHBondContact OG1-CB 3.44Å; A557-A559 PolarHBondContact O-N 2.85Å; A559-W563 VanDerWaalsContact CA-CE3 3.49Å; A559-W563 HydrophobicContact CB-CE3 3.86Å; A559-W563 HydrophobicContact CB-CZ3 4.19Å; A559-L564 WeakPolarHBondContact O-CB 3.31Å; A559-L564 PolarHBondContact O-N 3.3Å
560A88.2Confident85.4Confident0 Ų017.5 Ų17.50%011%0.105CC..Iπ-helixtrans-76-31.4178.900000113.1L555 T556 P565 Y596 V621 L626L555-A560 HydrophobicContact CB-CB 4.19Å; T556-A560 WeakPolarHBondContact O-CB 3.47Å; T556-A560 PolarHBondContact O-N 3.28Å; A560-P565 VanDerWaalsContact O-CD 3.27Å; A560-P565 WeakPolarHBondContact O-CD 3.29Å; A560-P565 WeakPolarHBondContact O-CG 2.94Å; A560-Y596 HydrophobicContact CB-CD1 4.07Å; A560-Y596 HydrophobicContact CB-CE1 3.66Å; A560-Y596 HydrophobicContact CB-CE2 4.33Å; A560-V621 HydrophobicContact CB-CG1 4.04Å; A560-L626 HydrophobicContact CB-CD1 3.91Å
561G84.7Confident86.4Confident5 Ų513.6 Ų13.65%0.0529%0.09CC..Iπ-helixtrans-90.9-27.7-174.800000114.7A557 S628A557-G561 WeakPolarHBondContact O-CA 3.46Å; A557-G561 PolarHBondContact O-N 3.47Å; G561-S628 WeakPolarHBondContact O-CB 3.33Å; G561-S628 PolarHBondContact O-OG 3.04Å
562L85.1Confident87.5Confident19 Ų1913.4 Ų13.410%0.0999%0.088CC..Iπ-helixtrans-121.6-70.8-173.7-172.863.7000112.6D558 P565 S566 E999 V1003D558-L562 WeakPolarHBondContact O-CA 3.39Å; D558-L562 VanDerWaalsContact O-CB 3.25Å; D558-L562 WeakPolarHBondContact O-CB 3.36Å; D558-L562 PolarHBondContact O-N 3.08Å; L562-P565 WeakPolarHBondContact O-CD 3.39Å; L562-S566 WeakPolarHBondContact O-CB 3.31Å; L562-S566 PolarHBondContact O-N 2.87Å; L562-S566 PolarHBondContact O-OG 3.07Å; L562-S566 VanDerWaalsContact O-OG 3.09Å; L562-E999 HydrophobicContact CD2-CB 3.63Å; L562-E999 WeakPolarHBondContact CD2-O 3.33Å; L562-V1003 HydrophobicContact CB-CG2 3.54Å; L562-V1003 HydrophobicContact CD1-CG2 3.7Å; L562-V1003 HydrophobicContact CD2-CG2 4.28Å; L562-V1003 HydrophobicContact CG-CG2 4.03Å
563W89.7Confident88.2Confident14 Ų1412.2 Ų12.25%0.0537%0.072CC..Iπ-helixtrans-71.2-44.5-164.2-55.8-47.1000113.4I458 I461 R462 A465 D558 A559 S566 L567 E999I458-W563 HydrophobicContact CG2-CE3 4.23Å; I458-W563 HydrophobicContact CG2-CZ3 3.62Å; I461-W563 HydrophobicContact CG2-CB 3.88Å; R462-W563 HydrophobicContact CB-CD2 3.76Å; R462-W563 HydrophobicContact CB-CE3 3.83Å; R462-W563 HydrophobicContact CB-CG 4.22Å; R462-W563 HydrophobicContact CB-CH2 4.48Å; R462-W563 HydrophobicContact CB-CZ2 4.37Å; R462-W563 HydrophobicContact CB-CZ3 4.22Å; R462-W563 HydrophobicContact CG-CD2 3.82Å; R462-W563 HydrophobicContact CG-CE3 4.26Å; R462-W563 HydrophobicContact CG-CG 4.27Å; R462-W563 HydrophobicContact CG-CH2 4.27Å; R462-W563 HydrophobicContact CG-CZ2 3.78Å; R462-W563 HydrophobicContact CG-CZ3 4.48Å; A465-W563 HydrophobicContact CB-CB 3.87Å; A465-W563 HydrophobicContact CB-CG 4.42Å; D558-W563 HydrophobicContact CB-CE3 4.21Å; D558-W563 HydrophobicContact CB-CH2 3.4Å; D558-W563 HydrophobicContact CB-CZ2 3.88Å; D558-W563 HydrophobicContact CB-CZ3 3.59Å; D558-W563 PolarHBondContact O-N 3.16Å; A559-W563 VanDerWaalsContact CA-CE3 3.49Å; A559-W563 HydrophobicContact CB-CE3 3.86Å; A559-W563 HydrophobicContact CB-CZ3 4.19Å; W563-S566 WeakPolarHBondContact CA-OG 3.3Å; W563-S566 PolarHBondContact O-OG 2.62Å; W563-L567 WeakPolarHBondContact O-CB 3.44Å; W563-L567 PolarHBondContact O-N 2.99Å; W563-E999 HydrophobicContact CZ2-CB 4.29Å; W563-E999 WeakPolarHBondContact CZ2-OE2 3.33Å; W563-E999 PolarHBondContact NE1-OE2 2.67Å
564L93.4Very high88.7Confident1 Ų111.8 Ų11.81%0.0057%0.07CC..Hα-helixtrans-66.4-48.5179179.170.4000111.2I461 I540 L544 L555 A559 S566 L567 I568 L592I461-L564 HydrophobicContact CG2-CB 4.21Å; I540-L564 HydrophobicContact CD1-CD1 3.82Å; I540-L564 HydrophobicContact CG1-CD1 4.22Å; I540-L564 HydrophobicContact CG2-CD1 3.88Å; I540-L564 HydrophobicContact CG2-CD2 4.37Å; L544-L564 HydrophobicContact CD1-CD2 4.09Å; L555-L564 HydrophobicContact CD1-CD2 3.67Å; A559-L564 WeakPolarHBondContact O-CB 3.31Å; A559-L564 PolarHBondContact O-N 3.3Å; L564-S566 PolarHBondContact O-N 3.38Å; L564-L567 PolarHBondContact O-N 3.35Å; L564-I568 HydrophobicContact CD1-CD1 4.01Å; L564-I568 HydrophobicContact CD1-CG1 4.35Å; L564-I568 HydrophobicContact CG-CD1 3.99Å; L564-I568 WeakPolarHBondContact O-CG1 3.25Å; L564-I568 PolarHBondContact O-N 3.23Å; L564-L592 HydrophobicContact CD2-CD2 4.14Å
565P92.3Very high89Confident4 Ų49.7 Ų9.73%0.0266%0.056CC..Hα-helixtrans-59.1-45.3174.1-24.834.3000113.3A560 L562 L567 I568 I569 I629 L632A560-P565 VanDerWaalsContact O-CD 3.27Å; A560-P565 WeakPolarHBondContact O-CD 3.29Å; A560-P565 WeakPolarHBondContact O-CG 2.94Å; L562-P565 WeakPolarHBondContact O-CD 3.39Å; P565-L567 VanDerWaalsContact C-N 3.31Å; P565-L567 PolarHBondContact O-N 3.39Å; P565-I568 PolarHBondContact O-N 2.89Å; P565-I569 WeakPolarHBondContact O-CB 3.07Å; P565-I569 WeakPolarHBondContact O-CG1 3.09Å; P565-I569 PolarHBondContact O-N 3.23Å; P565-I629 HydrophobicContact CG-CD1 3.87Å; P565-L632 HydrophobicContact CB-CD1 4.04Å; P565-L632 HydrophobicContact CB-CG 4.21Å; P565-L632 HydrophobicContact CG-CD1 4.45Å
566S89.9Confident89Confident15 Ų1512.6 Ų12.611%0.1058%0.076CC..Hα-helixtrans-60.6-42.6179.563.70000111.7C469 L562 W563 L564 I569 R570C469-S566 PolarHBondContact SG-O 3.26Å; L562-S566 WeakPolarHBondContact O-CB 3.31Å; L562-S566 PolarHBondContact O-N 2.87Å; L562-S566 PolarHBondContact O-OG 3.07Å; L562-S566 VanDerWaalsContact O-OG 3.09Å; W563-S566 WeakPolarHBondContact CA-OG 3.3Å; W563-S566 PolarHBondContact O-OG 2.62Å; L564-S566 PolarHBondContact O-N 3.38Å; S566-I569 PolarHBondContact O-N 3.01Å; S566-R570 WeakPolarHBondContact O-CB 3.09Å; S566-R570 PolarHBondContact O-N 3.44Å
567L92.9Very high89Confident3 Ų312.2 Ų12.22%0.0168%0.076CC..Hα-helixtrans-61.7-45.8177.9-175.664.1000111.8L464 A465 F531 L536 W563 L564 P565 R570 G571L464-L567 HydrophobicContact CB-CD1 4.26Å; L464-L567 HydrophobicContact CB-CD2 4.09Å; A465-L567 HydrophobicContact CB-CB 4.42Å; F531-L567 HydrophobicContact CZ-CG 4.31Å; F531-L567 WeakPolarHBondContact CZ-O 3.37Å; L536-L567 HydrophobicContact CD2-CD2 4.08Å; W563-L567 WeakPolarHBondContact O-CB 3.44Å; W563-L567 PolarHBondContact O-N 2.99Å; L564-L567 PolarHBondContact O-N 3.35Å; P565-L567 VanDerWaalsContact C-N 3.31Å; P565-L567 PolarHBondContact O-N 3.39Å; L567-R570 PolarHBondContact O-N 2.96Å; L567-G571 PolarHBondContact O-N 3.23Å
568I94.8Very high89.5Confident1 Ų111.8 Ų11.81%0.0057%0.072CC..Hα-helixtrans-67.4-45.7177.6-63.6170.9000110.4L564 P565 R570 G571 L572 I582 L592 L632 W636L564-I568 HydrophobicContact CD1-CD1 4.01Å; L564-I568 HydrophobicContact CD1-CG1 4.35Å; L564-I568 HydrophobicContact CG-CD1 3.99Å; L564-I568 WeakPolarHBondContact O-CG1 3.25Å; L564-I568 PolarHBondContact O-N 3.23Å; P565-I568 PolarHBondContact O-N 2.89Å; I568-R570 VanDerWaalsContact C-N 3.26Å; I568-R570 PolarHBondContact O-N 3.37Å; I568-G571 CarbonylContact O-C 3.51Å; I568-G571 WeakPolarHBondContact O-CA 3.46Å; I568-G571 PolarHBondContact O-N 3.09Å; I568-L572 HydrophobicContact CG2-CD1 4.26Å; I568-L572 HydrophobicContact CG2-CG 4.12Å; I568-L572 WeakPolarHBondContact O-CG 2.83Å; I568-L572 PolarHBondContact O-N 3Å; I568-I582 HydrophobicContact CG2-CG2 4.28Å; I568-L592 HydrophobicContact CD1-CD1 4.2Å; I568-L632 HydrophobicContact CB-CD2 3.77Å; I568-L632 HydrophobicContact CD1-CD1 4.46Å; I568-L632 HydrophobicContact CG2-CD2 3.58Å; I568-W636 HydrophobicContact CG2-CH2 4.43Å
569I91.7Very high89.8Confident3 Ų39.3 Ų9.32%0.0156%0.059CC..Hα-helixtrans-54.9-44177.2-72.3172.2000110.7P565 S566 G571 L572 R573 R631 L632 I635P565-I569 WeakPolarHBondContact O-CB 3.07Å; P565-I569 WeakPolarHBondContact O-CG1 3.09Å; P565-I569 PolarHBondContact O-N 3.23Å; S566-I569 PolarHBondContact O-N 3.01Å; I569-G571 VanDerWaalsContact C-N 3.28Å; I569-G571 PolarHBondContact O-N 3.22Å; I569-L572 PolarHBondContact O-N 2.87Å; I569-L572 VanDerWaalsContact O-N 3.12Å; I569-R573 HydrophobicContact CG2-CG 4.32Å; I569-R573 WeakPolarHBondContact O-CB 3.4Å; I569-R573 PolarHBondContact O-N 2.64Å; I569-R631 HydrophobicContact CD1-CG 3.96Å; I569-L632 HydrophobicContact CD1-CD2 4.27Å; I569-L632 HydrophobicContact CG1-CD2 3.45Å; I569-L632 VanDerWaalsContact CG1-CD2 3.45Å; I569-L632 HydrophobicContact CG1-CG 4.26Å; I569-I635 HydrophobicContact CB-CD1 4.44Å; I569-I635 HydrophobicContact CD1-CD1 3.87Å; I569-I635 HydrophobicContact CG1-CD1 3.86Å; I569-I635 HydrophobicContact CG2-CD1 3.76Å
570R90.6Very high90Very high3 Ų314.7 Ų14.71%0.0118%0.08CC..Hα-helixtrans-61-39.4176.9-175.168.1-169.4113.913.1111.7I468 C469 E474 I495 S566 L567 I568 H574 P954 Y956I468-R570 HydrophobicContact CG2-CG 3.76Å; C469-R570 VanDerWaalsContact SG-CB 3.58Å; E474-R570 WeakPolarHBondContact OE1-CD 3.45Å; I495-R570 PolarHBondContact O-NH1 3.39Å; I495-R570 PolarHBondContact O-NH2 2.95Å; I495-R570 VanDerWaalsContact O-NH2 3.11Å; S566-R570 WeakPolarHBondContact O-CB 3.09Å; S566-R570 PolarHBondContact O-N 3.44Å; L567-R570 PolarHBondContact O-N 2.96Å; I568-R570 VanDerWaalsContact C-N 3.26Å; I568-R570 PolarHBondContact O-N 3.37Å; R570-H574 PolarHBondContact O-N 3.11Å; R570-H574 VanDerWaalsContact O-N 3.12Å; R570-P954 VanDerWaalsContact NH2-CD 3.28Å; R570-Y956 PolarHBondContact NH1-OH 3.32Å
571G91.7Very high90.1Very high0 Ų018.9 Ų18.90%010%0.1CC..Hα-helixtrans-63.5-43.4170.400000113.3L567 I568 I569 H574 T578L567-G571 PolarHBondContact O-N 3.23Å; I568-G571 CarbonylContact O-C 3.51Å; I568-G571 WeakPolarHBondContact O-CA 3.46Å; I568-G571 PolarHBondContact O-N 3.09Å; I569-G571 VanDerWaalsContact C-N 3.28Å; I569-G571 PolarHBondContact O-N 3.22Å; G571-H574 VanDerWaalsContact O-CB 3.24Å; G571-H574 WeakPolarHBondContact O-CB 3.34Å; G571-H574 PolarHBondContact O-N 3.26Å; G571-T578 PolarHBondContact O-OG1 2.96Å; G571-T578 VanDerWaalsContact O-OG1 3.12Å
572L91.5Very high90.7Very high0 Ų018.8 Ų18.80%010%0.098CC..Hα-helixtrans-66-39.4178-62.1-175.4000112.7I568 I569 H574 A579 I582 L632 I635 W636 I639I568-L572 HydrophobicContact CG2-CD1 4.26Å; I568-L572 HydrophobicContact CG2-CG 4.12Å; I568-L572 WeakPolarHBondContact O-CG 2.83Å; I568-L572 PolarHBondContact O-N 3Å; I569-L572 PolarHBondContact O-N 2.87Å; I569-L572 VanDerWaalsContact O-N 3.12Å; L572-H574 PolarHBondContact O-N 3.26Å; L572-A579 HydrophobicContact CD2-CB 3.95Å; L572-I582 HydrophobicContact CD2-CB 4.28Å; L572-I582 HydrophobicContact CD2-CD1 4.13Å; L572-I582 HydrophobicContact CD2-CG2 4.37Å; L572-L632 HydrophobicContact CD1-CD2 4.24Å; L572-I635 HydrophobicContact CB-CG2 4.1Å; L572-I635 HydrophobicContact CD1-CG2 4.13Å; L572-W636 HydrophobicContact CD1-CD2 3.78Å; L572-W636 HydrophobicContact CD1-CE3 4.21Å; L572-W636 HydrophobicContact CD1-CG 3.89Å; L572-W636 HydrophobicContact CD2-CD2 4.17Å; L572-W636 HydrophobicContact CD2-CG 4.28Å; L572-W636 HydrophobicContact CD2-CZ2 4.03Å; L572-I639 HydrophobicContact CB-CD1 3.99Å
573R88.1Confident91.1Very high12 Ų1219.5 Ų19.55%0.04510%0.1CC..THydrogen-bonded Turntrans-76.2-10.1176.5-75.2-178.2168.1175.7-8.9112.6E474 L477 F494 I495 I569E474-R573 PolarHBondContact O-NH1 2.9Å; E474-R573 IonicContact OE2-CZ 2.93Å; E474-R573 IonicContact OE2-NE 3.23Å; E474-R573 IonicContact OE2-NH1 3.71Å; E474-R573 PolarHBondContact OE2-NH1 3.45Å; L477-R573 VanDerWaalsContact CG-CZ 3.46Å; F494-R573 CarbonylContact C-O 3.29Å; F494-R573 VanDerWaalsContact CA-O 3.28Å; F494-R573 WeakPolarHBondContact CA-O 3.34Å; I495-R573 HydrophobicContact CD1-CB 4.29Å; I495-R573 HydrophobicContact CG1-CB 4.49Å; I495-R573 PolarHBondContact N-O 3.39Å; I569-R573 HydrophobicContact CG2-CG 4.32Å; I569-R573 WeakPolarHBondContact O-CB 3.4Å; I569-R573 PolarHBondContact O-N 2.64Å
574H90.6Very high91.3Very high0 Ų026.7 Ų26.70%013%0.127CC..THydrogen-bonded Turntrans-64.5-56.2176.2-174.1-97.2000110.7A496 P497 D525 V527 R570 G571 L572A496-H574 WeakPolarHBondContact CB-NE2 3.43Å; A496-H574 WeakPolarHBondContact CB-O 3.47Å; A496-H574 PolarHBondContact N-O 3.39Å; P497-H574 WeakPolarHBondContact CD-NE2 3.35Å; D525-H574 IonicContact OD1-CE1 2.7Å; D525-H574 IonicContact OD1-NE2 3.79Å; D525-H574 PolarHBondContact OD1-NE2 2.62Å; D525-H574 IonicContact OD2-CE1 3.66Å; D525-H574 PolarHBondContact OD2-CE1 3.48Å; D525-H574 IonicContact OD2-NE2 2.63Å; D525-H574 PolarHBondContact OD2-NE2 2.85Å; V527-H574 HydrophobicContact CG1-CB 3.79Å; R570-H574 PolarHBondContact O-N 3.11Å; R570-H574 VanDerWaalsContact O-N 3.12Å; G571-H574 VanDerWaalsContact O-CB 3.24Å; G571-H574 WeakPolarHBondContact O-CB 3.34Å; G571-H574 PolarHBondContact O-N 3.26Å; L572-H574 PolarHBondContact O-N 3.26Å
575S87.2Confident91.3Very high0 Ų027.7 Ų27.70%013%0.134CC..  trans-162.8162.3-178.670.10000114.9F494 S577 T578 A579 P1267F494-S575 VanDerWaalsContact CD1-C 3.49Å; S575-S577 VanDerWaalsContact C-N 3.29Å; S575-S577 PolarHBondContact O-N 2.91Å; S575-S577 PolarHBondContact OG-OG 2.97Å; S575-T578 PolarHBondContact N-OG1 3.31Å; S575-T578 PolarHBondContact O-N 3.44Å; S575-T578 PolarHBondContact O-OG1 3.3Å; S575-T578 WeakPolarHBondContact OG-CB 3.46Å; S575-T578 VanDerWaalsContact OG-CG2 3.31Å; S575-T578 WeakPolarHBondContact OG-CG2 3.42Å; S575-T578 PolarHBondContact OG-N 3.33Å; S575-T578 PolarHBondContact OG-OG1 3.25Å; S575-A579 WeakPolarHBondContact O-CB 3.32Å; S575-A579 PolarHBondContact O-N 3.4Å; S575-P1267 VanDerWaalsContact CB-CG 3.45Å
576S86.3Confident91.2Very high65 Ų6532.1 Ų32.146%0.45516%0.162SC..Hα-helixtrans-60.5-38.8171.357.90000112.5F494 Y580F494-S576 VanDerWaalsContact CE1-N 3.25Å; S576-Y580 WeakPolarHBondContact O-CB 3.37Å; S576-Y580 PolarHBondContact O-N 2.99Å
577S87Confident91.2Very high50 Ų5035.9 Ų35.935%0.3518%0.179SC..Hα-helixtrans-64.8-50.4178.355.80000112.2S575 Y580 E581S575-S577 VanDerWaalsContact C-N 3.29Å; S575-S577 PolarHBondContact O-N 2.91Å; S575-S577 PolarHBondContact OG-OG 2.97Å; S577-Y580 PolarHBondContact O-N 3.48Å; S577-E581 WeakPolarHBondContact O-CG 3.27Å; S577-E581 PolarHBondContact O-N 3.22Å
578T91.1Very high91.3Very high1 Ų135.8 Ų35.81%0.00618%0.178CC..Hα-helixtrans-63.3-43.1177.350.80000111I532 G571 S575 Y580 E581 I582I532-T578 HydrophobicContact CD1-CG2 3.77Å; I532-T578 HydrophobicContact CG1-CG2 3.99Å; G571-T578 PolarHBondContact O-OG1 2.96Å; G571-T578 VanDerWaalsContact O-OG1 3.12Å; S575-T578 PolarHBondContact N-OG1 3.31Å; S575-T578 PolarHBondContact O-N 3.44Å; S575-T578 PolarHBondContact O-OG1 3.3Å; S575-T578 WeakPolarHBondContact OG-CB 3.46Å; S575-T578 VanDerWaalsContact OG-CG2 3.31Å; S575-T578 WeakPolarHBondContact OG-CG2 3.42Å; S575-T578 PolarHBondContact OG-N 3.33Å; S575-T578 PolarHBondContact OG-OG1 3.25Å; T578-Y580 VanDerWaalsContact C-N 3.33Å; T578-Y580 PolarHBondContact O-N 2.73Å; T578-E581 PolarHBondContact O-N 2.8Å; T578-I582 VanDerWaalsContact O-CG1 3.23Å; T578-I582 WeakPolarHBondContact O-CG1 3.49Å; T578-I582 PolarHBondContact O-N 2.83Å
579A91.6Very high91.3Very high0 Ų036.1 Ų36.10%018%0.18CC..Hα-helixtrans-59.9-42.1177.100000113L572 S575 F583 W636 I639L572-A579 HydrophobicContact CD2-CB 3.95Å; S575-A579 WeakPolarHBondContact O-CB 3.32Å; S575-A579 PolarHBondContact O-N 3.4Å; A579-F583 WeakPolarHBondContact O-CB 3.5Å; A579-F583 PolarHBondContact O-N 3.07Å; A579-W636 PolarHBondContact O-NE1 2.94Å; A579-I639 HydrophobicContact CB-CD1 3.48Å; A579-I639 VanDerWaalsContact CB-CD1 3.48Å; A579-I639 HydrophobicContact CB-CG2 4Å
580Y91.5Very high91.3Very high112 Ų11237.6 Ų37.644%0.43919%0.19SC..Hα-helixtrans-67.2-41.5175.8-175.4-97.6000111.9S576 S577 T578 F583 R584 I643S576-Y580 WeakPolarHBondContact O-CB 3.37Å; S576-Y580 PolarHBondContact O-N 2.99Å; S577-Y580 PolarHBondContact O-N 3.48Å; T578-Y580 VanDerWaalsContact C-N 3.33Å; T578-Y580 PolarHBondContact O-N 2.73Å; Y580-F583 WeakPolarHBondContact O-CB 3.25Å; Y580-F583 PolarHBondContact O-N 3.09Å; Y580-R584 VanDerWaalsContact O-CB 3.3Å; Y580-R584 WeakPolarHBondContact O-CB 3.15Å; Y580-R584 PolarHBondContact O-N 2.89Å; Y580-I643 HydrophobicContact CD2-CD1 4.49Å
581E91.1Very high91.3Very high89 Ų8937.5 Ų37.542%0.41619%0.19SC..Hα-helixtrans-62.9-42.1175.8-76.9-61.5144.100112.2S577 T578 R584 T585S577-E581 WeakPolarHBondContact O-CG 3.27Å; S577-E581 PolarHBondContact O-N 3.22Å; T578-E581 PolarHBondContact O-N 2.8Å; E581-R584 PolarHBondContact O-N 3.21Å; E581-T585 WeakPolarHBondContact O-CG2 3.37Å; E581-T585 PolarHBondContact O-N 3.19Å
582I95.7Very high91.4Very high2 Ų237.7 Ų37.71%0.0119%0.191CC..Hα-helixtrans-63.2-44.6174.2-60.6165.9000109.7F531 A537 I568 L572 T578 R584 T585 L588 W636F531-I582 HydrophobicContact CB-CD1 4.3Å; F531-I582 HydrophobicContact CB-CG1 4.31Å; F531-I582 HydrophobicContact CD1-CD1 3.5Å; F531-I582 VanDerWaalsContact CD1-CD1 3.5Å; F531-I582 HydrophobicContact CD1-CG1 3.63Å; F531-I582 HydrophobicContact CD2-CD1 4.3Å; F531-I582 HydrophobicContact CE1-CD1 3.78Å; F531-I582 HydrophobicContact CE1-CG1 4.2Å; F531-I582 HydrophobicContact CG-CD1 3.78Å; F531-I582 HydrophobicContact CG-CG1 4.12Å; F531-I582 HydrophobicContact CZ-CD1 4.3Å; A537-I582 HydrophobicContact CB-CG1 4.37Å; A537-I582 HydrophobicContact CB-CG2 4.16Å; I568-I582 HydrophobicContact CG2-CG2 4.28Å; L572-I582 HydrophobicContact CD2-CB 4.28Å; L572-I582 HydrophobicContact CD2-CD1 4.13Å; L572-I582 HydrophobicContact CD2-CG2 4.37Å; T578-I582 VanDerWaalsContact O-CG1 3.23Å; T578-I582 WeakPolarHBondContact O-CG1 3.49Å; T578-I582 PolarHBondContact O-N 2.83Å; I582-R584 VanDerWaalsContact C-N 3.34Å; I582-R584 PolarHBondContact O-N 2.97Å; I582-T585 WeakPolarHBondContact O-CB 3.45Å; I582-T585 PolarHBondContact O-N 3.31Å; I582-T585 PolarHBondContact O-OG1 2.94Å; I582-L588 HydrophobicContact CG2-CD2 3.84Å; I582-W636 HydrophobicContact CB-CZ2 4.4Å; I582-W636 HydrophobicContact CG2-CH2 4.35Å; I582-W636 HydrophobicContact CG2-CZ2 3.72Å
583F95Very high91.5Very high34 Ų3437.9 Ų37.915%0.14919%0.192CC..Hα-helixtrans-60.3-42.2177.2-176-105.5000112.5A579 Y580 T585 V589 W636 I643 A646 F647A579-F583 WeakPolarHBondContact O-CB 3.5Å; A579-F583 PolarHBondContact O-N 3.07Å; Y580-F583 WeakPolarHBondContact O-CB 3.25Å; Y580-F583 PolarHBondContact O-N 3.09Å; F583-T585 PolarHBondContact O-N 3.38Å; F583-V589 HydrophobicContact CD2-CG2 4Å; F583-V589 HydrophobicContact CE2-CG2 4.12Å; F583-W636 HydrophobicContact CB-CZ2 4.38Å; F583-W636 HydrophobicContact CD2-CD2 4.36Å; F583-W636 HydrophobicContact CD2-CG 4.43Å; F583-W636 HydrophobicContact CD2-CZ2 4.47Å; F583-W636 AromaticContact CD2-NE1 3.94Å; F583-I643 HydrophobicContact CB-CD1 4.36Å; F583-I643 HydrophobicContact CD1-CG1 4.06Å; F583-I643 HydrophobicContact CD2-CG2 3.89Å; F583-I643 HydrophobicContact CE1-CG1 4.4Å; F583-I643 HydrophobicContact CE2-CG2 3.92Å; F583-I643 HydrophobicContact CG-CD1 4.38Å; F583-I643 HydrophobicContact CG-CG1 4.2Å; F583-I643 HydrophobicContact CG-CG2 4.26Å; F583-I643 HydrophobicContact CZ-CG2 4.3Å; F583-A646 HydrophobicContact CE1-CB 4.08Å; F583-A646 HydrophobicContact CZ-CB 3.66Å; F583-F647 AromaticContact CD2-CE2 3.92Å; F583-F647 HydrophobicContact CD2-CE2 3.92Å; F583-F647 AromaticContact CE2-CD2 3.94Å; F583-F647 HydrophobicContact CE2-CD2 3.94Å; F583-F647 AromaticContact CE2-CE2 3.45Å; F583-F647 HydrophobicContact CE2-CE2 3.45Å; F583-F647 VanDerWaalsContact CE2-CE2 3.45Å; F583-F647 HydrophobicContact CE2-CZ 4.08Å; F583-F647 HydrophobicContact CZ-CE2 4.48Å
584R93.2Very high91.6Very high165 Ų16543 Ų4362%0.62322%0.218SC*.Hα-helixtrans-67.8-14.9-179.5-169.6179.4-179.8-168.42.6112.8Y580 E581 I582Y580-R584 VanDerWaalsContact O-CB 3.3Å; Y580-R584 WeakPolarHBondContact O-CB 3.15Å; Y580-R584 PolarHBondContact O-N 2.89Å; E581-R584 PolarHBondContact O-N 3.21Å; I582-R584 VanDerWaalsContact C-N 3.34Å; I582-R584 PolarHBondContact O-N 2.97Å
585T94.4Very high91.5Very high23 Ų2344.4 Ų44.414%0.14123%0.225CC..SBendtrans-62.2122.2179.560.30000111.1A537 E581 I582 F583 E587 L588A537-T585 HydrophobicContact CB-CG2 3.64Å; E581-T585 WeakPolarHBondContact O-CG2 3.37Å; E581-T585 PolarHBondContact O-N 3.19Å; I582-T585 WeakPolarHBondContact O-CB 3.45Å; I582-T585 PolarHBondContact O-N 3.31Å; I582-T585 PolarHBondContact O-OG1 2.94Å; F583-T585 PolarHBondContact O-N 3.38Å; T585-E587 PolarHBondContact O-N 3.45Å; T585-L588 PolarHBondContact O-N 2.73Å; T585-L588 WeakPolarHBondContact OG1-CB 3.07Å; T585-L588 WeakPolarHBondContact OG1-CD2 3.38Å
586P89.7Confident91.7Very high96 Ų9644.4 Ų44.462%0.62323%0.225SC*.THydrogen-bonded Turntrans-66.8140.9-172.627.5-35000110.2L588P586-L588 PolarHBondContact O-N 3.46Å; P586-L588 VanDerWaalsContact O-N 3.11Å
587E89.4Confident92Very high95 Ų9541.3 Ų41.344%0.44420%0.203SC..THydrogen-bonded Turntrans66-3.6179-54.1-68.4176.100116.6A545 T585 S590 A591A545-E587 HydrophobicContact CB-CB 3.75Å; A545-E587 HydrophobicContact CB-CG 4.49Å; T585-E587 PolarHBondContact O-N 3.45Å; E587-S590 WeakPolarHBondContact CA-OG 3.5Å; E587-S590 PolarHBondContact O-OG 3.11Å; E587-S590 PolarHBondContact OE2-OG 3.31Å; E587-A591 WeakPolarHBondContact O-CB 3.49Å; E587-A591 PolarHBondContact O-N 3.27Å
588L94.7Very high92.1Very high1 Ų140.4 Ų40.41%0.00520%0.196CC..Hα-helixtrans-66.2-55.6-179.3-179.161.7000111.2A537 I540 A541 I582 T585 P586 A591 L592 W636A537-L588 HydrophobicContact CB-CD2 4.22Å; I540-L588 HydrophobicContact CB-CD1 4.24Å; I540-L588 HydrophobicContact CG2-CD1 3.65Å; A541-L588 HydrophobicContact CB-CB 3.91Å; A541-L588 HydrophobicContact CB-CD1 4.2Å; I582-L588 HydrophobicContact CG2-CD2 3.84Å; T585-L588 PolarHBondContact O-N 2.73Å; T585-L588 WeakPolarHBondContact OG1-CB 3.07Å; T585-L588 WeakPolarHBondContact OG1-CD2 3.38Å; P586-L588 PolarHBondContact O-N 3.46Å; P586-L588 VanDerWaalsContact O-N 3.11Å; L588-A591 PolarHBondContact O-N 3.43Å; L588-L592 HydrophobicContact CD1-CD1 4.15Å; L588-L592 HydrophobicContact CD1-CG 4.41Å; L588-L592 HydrophobicContact CG-CD1 4.17Å; L588-L592 WeakPolarHBondContact O-CB 3.29Å; L588-L592 WeakPolarHBondContact O-CG 2.81Å; L588-L592 PolarHBondContact O-N 3.17Å; L588-W636 HydrophobicContact CD2-CH2 4.46Å
589V94.7Very high91.8Very high7 Ų743.2 Ų43.24%0.04221%0.21CC..Hα-helixtrans-65.2-45.6-177.7-1790000110.4F583 A591 L592 L593 W636 F647F583-V589 HydrophobicContact CD2-CG2 4Å; F583-V589 HydrophobicContact CE2-CG2 4.12Å; V589-A591 PolarHBondContact O-N 2.88Å; V589-L592 PolarHBondContact O-N 2.6Å; V589-L593 HydrophobicContact CG1-CD1 3.8Å; V589-L593 HydrophobicContact CG1-CG 4.21Å; V589-L593 WeakPolarHBondContact O-CB 3.36Å; V589-L593 WeakPolarHBondContact O-CG 2.89Å; V589-L593 PolarHBondContact O-N 3.26Å; V589-W636 HydrophobicContact CG2-CH2 3.84Å; V589-W636 HydrophobicContact CG2-CZ2 4.23Å; V589-W636 HydrophobicContact CG2-CZ3 4.14Å; V589-F647 HydrophobicContact CG1-CE1 3.77Å; V589-F647 HydrophobicContact CG1-CZ 3.79Å
590S92.1Very high90.9Very high34 Ų3445.2 Ų45.224%0.23822%0.221CC..Hα-helixtrans-59.7-45176.956.60000111.7E587 L593 M594E587-S590 WeakPolarHBondContact CA-OG 3.5Å; E587-S590 PolarHBondContact O-OG 3.11Å; E587-S590 PolarHBondContact OE2-OG 3.31Å; S590-L593 PolarHBondContact O-N 2.83Å; S590-M594 VanDerWaalsContact O-CB 3.28Å; S590-M594 WeakPolarHBondContact O-CB 3.05Å; S590-M594 WeakPolarHBondContact O-CG 3.33Å; S590-M594 PolarHBondContact O-N 2.87Å
591A91.1Very high89.5Confident1 Ų147.7 Ų47.71%0.00824%0.237CC..Hα-helixtrans-65-44.3178.800000112.4L544 A545 E587 L588 V589 L593 M594 H595L544-A591 HydrophobicContact CB-CB 3.95Å; A545-A591 HydrophobicContact CB-CB 4.2Å; E587-A591 WeakPolarHBondContact O-CB 3.49Å; E587-A591 PolarHBondContact O-N 3.27Å; L588-A591 PolarHBondContact O-N 3.43Å; V589-A591 PolarHBondContact O-N 2.88Å; A591-L593 VanDerWaalsContact C-N 3.35Å; A591-L593 PolarHBondContact O-N 3.02Å; A591-M594 PolarHBondContact O-N 3.42Å; A591-H595 PolarHBondContact O-CD2 2.81Å; A591-H595 VanDerWaalsContact O-CD2 3.3Å; A591-H595 PolarHBondContact O-N 3.32Å
592L93.8Very high87.6Confident4 Ų450.3 Ų50.32%0.02124%0.244CC..Hα-helixtrans-59.7-45.7176.3-74172.4000111.3L544 L564 I568 L588 V589 Y596 I629L544-L592 HydrophobicContact CD1-CD2 3.64Å; L544-L592 HydrophobicContact CD1-CG 4.24Å; L564-L592 HydrophobicContact CD2-CD2 4.14Å; I568-L592 HydrophobicContact CD1-CD1 4.2Å; L588-L592 HydrophobicContact CD1-CD1 4.15Å; L588-L592 HydrophobicContact CD1-CG 4.41Å; L588-L592 HydrophobicContact CG-CD1 4.17Å; L588-L592 WeakPolarHBondContact O-CB 3.29Å; L588-L592 WeakPolarHBondContact O-CG 2.81Å; L588-L592 PolarHBondContact O-N 3.17Å; V589-L592 PolarHBondContact O-N 2.6Å; L592-Y596 HydrophobicContact CD2-CD2 4.09Å; L592-Y596 HydrophobicContact CD2-CE2 4.43Å; L592-Y596 WeakPolarHBondContact O-CA 3.24Å; L592-Y596 WeakPolarHBondContact O-CB 3.29Å; L592-Y596 PolarHBondContact O-N 3.23Å; L592-I629 HydrophobicContact CD2-CD1 4.38Å
593L94.1Very high85.2Confident4 Ų458.1 Ų58.12%0.02128%0.28CS..Hα-helixtrans-69.6-36.6180-67.3-179.7000112.9V589 S590 A591 L597 F647 H651 R656V589-L593 HydrophobicContact CG1-CD1 3.8Å; V589-L593 HydrophobicContact CG1-CG 4.21Å; V589-L593 WeakPolarHBondContact O-CB 3.36Å; V589-L593 WeakPolarHBondContact O-CG 2.89Å; V589-L593 PolarHBondContact O-N 3.26Å; S590-L593 PolarHBondContact O-N 2.83Å; A591-L593 VanDerWaalsContact C-N 3.35Å; A591-L593 PolarHBondContact O-N 3.02Å; L593-L597 HydrophobicContact CD2-CB 3.87Å; L593-L597 HydrophobicContact CD2-CD2 3.63Å; L593-L597 HydrophobicContact CD2-CG 4.3Å; L593-L597 CarbonylContact O-C 3.38Å; L593-L597 WeakPolarHBondContact O-CA 3.29Å; L593-L597 PolarHBondContact O-N 3.27Å; L593-L597 VanDerWaalsContact O-O 3.11Å; L593-F647 HydrophobicContact CD1-CE1 4.42Å; L593-H651 HydrophobicContact CD1-CB 3.7Å; L593-R656 PolarHBondContact O-NH1 3.39Å
594M88.7Confident82.4Confident119 Ų11963.9 Ų63.959%0.58631%0.311SS*.Hα-helixtrans-68-45.6178.5-75-70.1-178.900111.7S590 A591S590-M594 VanDerWaalsContact O-CB 3.28Å; S590-M594 WeakPolarHBondContact O-CB 3.05Å; S590-M594 WeakPolarHBondContact O-CG 3.33Å; S590-M594 PolarHBondContact O-N 2.87Å; A591-M594 PolarHBondContact O-N 3.42Å
595H88.4Confident80Confident31 Ų3164.1 Ų64.114%0.14431%0.314CS..Hα-helixtrans-84.4-35-175.6-72.9-65.5000113.9A591 N622 N623A591-H595 PolarHBondContact O-CD2 2.81Å; A591-H595 VanDerWaalsContact O-CD2 3.3Å; A591-H595 PolarHBondContact O-N 3.32Å; H595-N622 PolarHBondContact ND1-OD1 3.46Å; H595-N623 WeakPolarHBondContact O-CA 3.3Å; H595-N623 PolarHBondContact O-N 3.15Å
596Y92.1Very high77.2Confident0 Ų067.8 Ų67.80%033%0.333CS..Hα-helixtrans-1270.5-166.5-52.7-58.9000114.9L544 L555 A560 L592 V621 P625 L626L544-Y596 HydrophobicContact CD2-CE2 4.2Å; L555-Y596 WeakPolarHBondContact CB-OH 3.3Å; L555-Y596 PolarHBondContact N-OH 3.18Å; A560-Y596 HydrophobicContact CB-CD1 4.07Å; A560-Y596 HydrophobicContact CB-CE1 3.66Å; A560-Y596 HydrophobicContact CB-CE2 4.33Å; L592-Y596 HydrophobicContact CD2-CD2 4.09Å; L592-Y596 HydrophobicContact CD2-CE2 4.43Å; L592-Y596 WeakPolarHBondContact O-CA 3.24Å; L592-Y596 WeakPolarHBondContact O-CB 3.29Å; L592-Y596 PolarHBondContact O-N 3.23Å; Y596-V621 HydrophobicContact CD1-CB 4.32Å; Y596-V621 HydrophobicContact CD1-CG1 3.6Å; Y596-V621 HydrophobicContact CE1-CB 4.1Å; Y596-V621 HydrophobicContact CE1-CG1 3.79Å; Y596-P625 WeakPolarHBondContact O-CA 3.39Å; Y596-L626 HydrophobicContact CD1-CD1 4.25Å; Y596-L626 HydrophobicContact CG-CD1 4.47Å; Y596-L626 PolarHBondContact O-N 3.45Å
597L93Very high74.9Confident0 Ų072.7 Ų72.70%034%0.344CS..SBendtrans-146.249.9171.7-158.566.6000112.4L593 P625 I629 M630 R656 Y660 L694L593-L597 HydrophobicContact CD2-CB 3.87Å; L593-L597 HydrophobicContact CD2-CD2 3.63Å; L593-L597 HydrophobicContact CD2-CG 4.3Å; L593-L597 CarbonylContact O-C 3.38Å; L593-L597 WeakPolarHBondContact O-CA 3.29Å; L593-L597 PolarHBondContact O-N 3.27Å; L593-L597 VanDerWaalsContact O-O 3.11Å; L597-P625 HydrophobicContact CD1-CB 4.09Å; L597-I629 HydrophobicContact CB-CG2 3.96Å; L597-I629 HydrophobicContact CD2-CG2 4.32Å; L597-M630 HydrophobicContact CD1-CB 4.23Å; L597-M630 HydrophobicContact CD1-CE 4.15Å; L597-M630 HydrophobicContact CD2-CB 4.39Å; L597-M630 HydrophobicContact CD2-CE 3.83Å; L597-M630 HydrophobicContact CD2-SD 4.09Å; L597-M630 HydrophobicContact CG-CE 4.34Å; L597-R656 PolarHBondContact O-NH1 3.06Å; L597-Y660 HydrophobicContact CD1-CE2 3.67Å; L597-Y660 HydrophobicContact CG-CE2 4Å; L597-Y660 PolarHBondContact O-OH 2.99Å; L597-Y660 VanDerWaalsContact O-OH 3.06Å; L597-L694 HydrophobicContact CD1-CD1 4.14Å
598P89.5Confident72.7Confident30 Ų3075.9 Ų75.920%0.19536%0.359CS..  trans-66.8145.2-175.429.6-36.4000112.1N600 N623 Y660P598-N600 PolarHBondContact O-N 3.34Å; P598-N623 HydrophobicContact CG-CB 4.49Å; P598-N623 WeakPolarHBondContact CG-O 3.37Å; P598-Y660 WeakPolarHBondContact O-CE1 3.31Å; P598-Y660 PolarHBondContact O-OH 3.1Å
599I83.2Confident70.2Confident61 Ų6177.5 Ų77.531%0.31337%0.37SS..  trans-60.2129.8174.3-64.7165.2000108.5E601 H652 R656I599-E601 HydrophobicContact CG2-CG 4.17Å; I599-E601 PolarHBondContact O-N 3.43Å; I599-H652 HydrophobicContact CD1-CB 4.32Å; I599-R656 HydrophobicContact CD1-CG 4.33Å; I599-R656 HydrophobicContact CG1-CG 3.46Å; I599-R656 VanDerWaalsContact CG1-CG 3.46Å
600N72.9Confident67.9Low41 Ų4182.1 Ų82.122%0.21940%0.403CS..  trans-78.388.4179.2-167.521.8000110.1P598 Y602 S659 Y660 F681P598-N600 PolarHBondContact O-N 3.34Å; N600-Y602 VanDerWaalsContact C-N 3.28Å; N600-S659 PolarHBondContact N-OG 3.14Å; N600-Y660 HydrophobicContact CB-CD1 4.19Å; N600-Y660 HydrophobicContact CB-CE1 4.08Å; N600-F681 PolarHBondContact ND2-O 3.34Å
601E63.3Low65.9Low165 Ų16589.5 Ų89.577%0.77143%0.431SS*.  trans-83.1-0.5176-65.6-175.1173.800113.3I599 Q603I599-E601 HydrophobicContact CG2-CG 4.17Å; I599-E601 PolarHBondContact O-N 3.43Å; E601-Q603 PolarHBondContact O-N 3.16Å
602Y51.1Low64.2Low144 Ų14494.8 Ų94.857%0.56546%0.458SS*.  trans-73.284.9-169.4-86.7-101.9000113.1N600 Y605N600-Y602 VanDerWaalsContact C-N 3.28Å; Y602-Y605 AromaticContact CD1-CD2 3.65Å; Y602-Y605 HydrophobicContact CD1-CD2 3.65Å; Y602-Y605 HydrophobicContact CD1-CG 4.25Å; Y602-Y605 AromaticContact CE1-CD2 3.25Å; Y602-Y605 HydrophobicContact CE1-CD2 3.25Å; Y602-Y605 AromaticContact CE1-CE2 3.72Å; Y602-Y605 HydrophobicContact CE1-CE2 3.72Å; Y602-Y605 HydrophobicContact CE1-CG 4.03Å
603Q45Very low62.9Low166 Ų166101.8 Ų101.878%0.77650%0.495SS*.SBendtrans-94.5-7.6155.5-70.7-173.3-12.500112.7E601E601-Q603 PolarHBondContact O-N 3.16Å
604L37Very low62Low154 Ų154103.5 Ų103.581%0.80650%0.501SS*.  trans-106.8-1.5-164-88.9161.1000117.3N606L604-N606 PolarHBondContact O-N 3.16Å
605Y40.8Very low61.4Low170 Ų170100 Ų10067%0.66749%0.488SS*.SBendtrans-9987.3172.2-88.4-95.5000112.2Y602Y602-Y605 AromaticContact CD1-CD2 3.65Å; Y602-Y605 HydrophobicContact CD1-CD2 3.65Å; Y602-Y605 HydrophobicContact CD1-CG 4.25Å; Y602-Y605 AromaticContact CE1-CD2 3.25Å; Y602-Y605 HydrophobicContact CE1-CD2 3.25Å; Y602-Y605 AromaticContact CE1-CE2 3.72Å; Y602-Y605 HydrophobicContact CE1-CE2 3.72Å; Y602-Y605 HydrophobicContact CE1-CG 4.03Å
606N37.4Very low60.4Low101 Ų101106 Ų10654%0.5452%0.521SS..  trans38.8121.4138.5-76.5-8.7000118.5L604 E608 S609L604-N606 PolarHBondContact O-N 3.16Å; N606-E608 HydrophobicContact CB-CB 4.23Å; N606-E608 PolarHBondContact O-N 2.99Å; N606-S609 PolarHBondContact O-N 3.41Å; N606-S609 PolarHBondContact O-OG 2.76Å; N606-S609 VanDerWaalsContact O-OG 3.05Å
607K41.1Very low59.3Low199 Ų199112.3 Ų112.387%0.86555%0.55SS*.THydrogen-bonded Turntrans-46.3-10.2154.3-73-179.2174.6177.80114.9S610K607-S610 PolarHBondContact O-OG 3.13Å; K607-S610 VanDerWaalsContact O-OG 3.08Å
608E43.3Very low58.4Low161 Ų161113.4 Ų113.475%0.75256%0.556SS**THydrogen-bonded Turntrans-79.7-20.5174.8-62.6-169.6154.900113.4N606 S610N606-E608 HydrophobicContact CB-CB 4.23Å; N606-E608 PolarHBondContact O-N 2.99Å; E608-S610 VanDerWaalsContact C-N 3.3Å; E608-S610 PolarHBondContact O-N 2.91Å
609S42.2Very low57.5Low35 Ų35116.7 Ų116.725%0.24558%0.58CS.*G310 helixtrans-81.8-6.3179.468.40000114N606 K611 I612N606-S609 PolarHBondContact O-N 3.41Å; N606-S609 PolarHBondContact O-OG 2.76Å; N606-S609 VanDerWaalsContact O-OG 3.05Å; S609-K611 PolarHBondContact O-N 3.24Å; S609-I612 PolarHBondContact O-N 3.19Å
610S45.9Very low57.1Low105 Ų105117 Ų11773%0.73459%0.587SS**G310 helixtrans-65-1.6175.268.30000113.8K607 E608K607-S610 PolarHBondContact O-OG 3.13Å; K607-S610 VanDerWaalsContact O-OG 3.08Å; E608-S610 VanDerWaalsContact C-N 3.3Å; E608-S610 PolarHBondContact O-N 2.91Å
611K49.5Very low57.3Low189 Ų189115.3 Ų115.382%0.82258%0.578SS**G310 helixtrans-100.1-1.1173.4-71.4-176.1177.6178.20114.5S609S609-K611 PolarHBondContact O-N 3.24Å
612I55.4Low58.2Low111 Ų111111.1 Ų111.157%0.56956%0.561SS**SBendtrans-88.7112177.4-57.4174.9000108.4S609 R614S609-I612 PolarHBondContact O-N 3.19Å; I612-R614 PolarHBondContact O-N 3.2Å
613N66.5Low59.7Low152 Ų152108.6 Ų108.681%0.81356%0.557SS**PPolyproline II helixtrans-61.9131.7172.2-69.5-14.6000109.6
614R76.1Confident61.7Low39 Ų39100.9 Ų100.915%0.14752%0.521CS..PPolyproline II helixtrans-63.3142.2174.4-69.1-174.2172.1-138.73.6110.2I612 V679 L682 N684 L686I612-R614 PolarHBondContact O-N 3.2Å; R614-V679 PolarHBondContact NH2-O 3.17Å; R614-L682 PolarHBondContact NH2-O 3.41Å; R614-N684 WeakPolarHBondContact CG-O 3.26Å; R614-L686 PolarHBondContact NH1-O 3.28Å
615P75.7Confident64.3Low47 Ų4794 Ų9431%0.30549%0.486SS..PPolyproline II helixtrans-72.5151.4176.531.8-34.8000111.2N684 A685 P687P615-N684 VanDerWaalsContact CD-O 3.27Å; P615-N684 WeakPolarHBondContact CD-O 3.15Å; P615-A685 VanDerWaalsContact CG-O 3.27Å; P615-A685 WeakPolarHBondContact CG-O 3.44Å; P615-P687 WeakPolarHBondContact O-CB 3.46Å; P615-P687 WeakPolarHBondContact O-CG 3.19Å
616N68.4Low66.7Low155 Ų15586.1 Ų86.183%0.82946%0.455SS*.SBendtrans-75.3-31.4175.4-67.5-6.9000112.3
617H68.8Low69.2Low133 Ų13381.8 Ų81.862%0.61643%0.433SS*.SBendtrans-124.1149.5-179.859.9-90.3000110.8S619H617-S619 PolarHBondContact O-N 3.45Å
618L73.9Confident71.5Confident24 Ų2473.4 Ų73.413%0.12640%0.399CS..  trans-82.2112.5178-160.499.7000109.6A557 S620 V621 I624 L626 L686 L690A557-L618 HydrophobicContact CB-CB 4.39Å; A557-L618 HydrophobicContact CB-CD2 3.82Å; A557-L618 WeakPolarHBondContact CB-O 3.32Å; L618-S620 WeakPolarHBondContact CG-O 3.34Å; L618-V621 HydrophobicContact CD2-CB 4.41Å; L618-V621 HydrophobicContact CD2-CG1 4.22Å; L618-V621 HydrophobicContact CD2-CG2 3.94Å; L618-I624 HydrophobicContact CD1-CG2 4.33Å; L618-L626 HydrophobicContact CD2-CD2 4.06Å; L618-L686 HydrophobicContact CD1-CD1 3.89Å; L618-L690 HydrophobicContact CB-CD1 4.34Å; L618-L690 HydrophobicContact CD1-CD1 4.19Å
619S69.9Low74Confident99 Ų9965.8 Ų65.869%0.69236%0.364SS*.  trans-94.6-32.3179.260.10000113.6H617H617-S619 PolarHBondContact O-N 3.45Å
620S74.8Confident76.4Confident68 Ų6864.1 Ų64.148%0.47635%0.352SS..  trans-131.7153.4176.569.90000110.6L618 I624L618-S620 WeakPolarHBondContact CG-O 3.34Å; S620-I624 WeakPolarHBondContact O-CD1 3.34Å
621V78.2Confident78.6Confident4 Ų460.5 Ų60.52%0.02432%0.322CS..  trans-123.4-19.3-171.1-155.70000113.1A557 A560 Y596 L618 N623 I624 L626A557-V621 HydrophobicContact CB-CG2 3.94Å; A557-V621 VanDerWaalsContact N-CG2 3.3Å; A560-V621 HydrophobicContact CB-CG1 4.04Å; Y596-V621 HydrophobicContact CD1-CB 4.32Å; Y596-V621 HydrophobicContact CD1-CG1 3.6Å; Y596-V621 HydrophobicContact CE1-CB 4.1Å; Y596-V621 HydrophobicContact CE1-CG1 3.79Å; L618-V621 HydrophobicContact CD2-CB 4.41Å; L618-V621 HydrophobicContact CD2-CG1 4.22Å; L618-V621 HydrophobicContact CD2-CG2 3.94Å; V621-N623 PolarHBondContact O-N 3.48Å; V621-I624 WeakPolarHBondContact O-CB 3.26Å; V621-I624 PolarHBondContact O-N 3.32Å; V621-L626 HydrophobicContact CG1-CD1 3.4Å; V621-L626 VanDerWaalsContact CG1-CD1 3.4Å; V621-L626 HydrophobicContact CG1-CD2 3.95Å; V621-L626 HydrophobicContact CG1-CG 3.79Å
622N82.1Confident80.6Confident78 Ų7851.6 Ų51.642%0.41728%0.283SS..THydrogen-bonded Turntrans-63.8124-169.4-163.424.8000110.7C554 H595 I624C554-N622 HydrophobicContact CB-CB 4.42Å; C554-N622 VanDerWaalsContact SG-CB 3.59Å; H595-N622 PolarHBondContact ND1-OD1 3.46Å; N622-I624 PolarHBondContact O-N 2.97Å
623N82.7Confident82.5Confident90 Ų9046.4 Ų46.448%0.48126%0.257SS..THydrogen-bonded Turntrans60.926.9-174.9-56.2-27.2000114.4H595 P598 V621H595-N623 WeakPolarHBondContact O-CA 3.3Å; H595-N623 PolarHBondContact O-N 3.15Å; P598-N623 HydrophobicContact CG-CB 4.49Å; P598-N623 WeakPolarHBondContact CG-O 3.37Å; V621-N623 PolarHBondContact O-N 3.48Å
624I87Confident83.6Confident4 Ų439.2 Ų39.22%0.02122%0.218CC..  trans-110.1127.2173.7-64.9163.1000108.3L618 S620 V621 N622 L626 A685 L686L618-I624 HydrophobicContact CD1-CG2 4.33Å; S620-I624 WeakPolarHBondContact O-CD1 3.34Å; V621-I624 WeakPolarHBondContact O-CB 3.26Å; V621-I624 PolarHBondContact O-N 3.32Å; N622-I624 PolarHBondContact O-N 2.97Å; I624-L626 PolarHBondContact O-N 3.04Å; I624-A685 HydrophobicContact CD1-CB 3.95Å; I624-L686 HydrophobicContact CG2-CB 4.4Å; I624-L686 HydrophobicContact CG2-CD1 3.95Å
625P90.1Very high84.3Confident10 Ų1037.4 Ų37.47%0.06521%0.212CC..  trans-70.5122.5-178.828.9-34.6000111.1Y596 L597 Y660 L694Y596-P625 WeakPolarHBondContact O-CA 3.39Å; L597-P625 HydrophobicContact CD1-CB 4.09Å; P625-Y660 HydrophobicContact CB-CD1 4.47Å; P625-Y660 HydrophobicContact CB-CE1 3.73Å; P625-Y660 HydrophobicContact CB-CE2 4.4Å; P625-Y660 HydrophobicContact CG-CD1 4.5Å; P625-Y660 HydrophobicContact CG-CE1 3.98Å; P625-L694 HydrophobicContact CB-CD1 4.38Å; P625-L694 HydrophobicContact CB-CD2 3.73Å; P625-L694 HydrophobicContact CG-CD2 3.7Å
626L91.5Very high85Confident5 Ų535.3 Ų35.33%0.02620%0.198CC..  trans-101131.4-178.4-72-176.1000112.3A560 Y596 L618 V621 I624 S628 I629 M630A560-L626 HydrophobicContact CB-CD1 3.91Å; Y596-L626 HydrophobicContact CD1-CD1 4.25Å; Y596-L626 HydrophobicContact CG-CD1 4.47Å; Y596-L626 PolarHBondContact O-N 3.45Å; L618-L626 HydrophobicContact CD2-CD2 4.06Å; V621-L626 HydrophobicContact CG1-CD1 3.4Å; V621-L626 VanDerWaalsContact CG1-CD1 3.4Å; V621-L626 HydrophobicContact CG1-CD2 3.95Å; V621-L626 HydrophobicContact CG1-CG 3.79Å; I624-L626 PolarHBondContact O-N 3.04Å; L626-S628 VanDerWaalsContact C-N 3.3Å; L626-S628 PolarHBondContact O-N 3.45Å; L626-I629 HydrophobicContact CB-CB 4.36Å; L626-I629 HydrophobicContact CB-CG1 3.83Å; L626-I629 HydrophobicContact CD1-CG1 4.26Å; L626-I629 PolarHBondContact O-N 3.33Å; L626-I629 VanDerWaalsContact O-N 3.11Å; L626-M630 PolarHBondContact O-N 2.77Å
627P90.6Very high86Confident9 Ų927.9 Ų27.96%0.05816%0.158CC..Hα-helixtrans-56.6-41.4175.9-23.632000113.2I629 M630 R631 L690 Q693 L694P627-I629 PolarHBondContact O-N 3.45Å; P627-M630 WeakPolarHBondContact O-CB 3.43Å; P627-M630 PolarHBondContact O-N 3.14Å; P627-M630 VanDerWaalsContact O-N 3.11Å; P627-R631 PolarHBondContact O-N 3.26Å; P627-L690 HydrophobicContact CG-CB 4.4Å; P627-L690 WeakPolarHBondContact CG-O 3.43Å; P627-Q693 HydrophobicContact CB-CB 3.99Å; P627-Q693 HydrophobicContact CG-CB 3.92Å; P627-L694 HydrophobicContact CG-CB 4Å
628S89.7Confident86.9Confident23 Ų2322.9 Ų22.916%0.16114%0.135CC..Hα-helixtrans-62.7-26.5-179.7-52.50000113.3G561 L626 R631 L632G561-S628 WeakPolarHBondContact O-CB 3.33Å; G561-S628 PolarHBondContact O-OG 3.04Å; L626-S628 VanDerWaalsContact C-N 3.3Å; L626-S628 PolarHBondContact O-N 3.45Å; S628-R631 WeakPolarHBondContact O-CB 3.45Å; S628-L632 PolarHBondContact O-N 3.22Å; S628-L632 VanDerWaalsContact O-N 3.15Å
629I94.4Very high87.5Confident2 Ų222.9 Ų22.91%0.0114%0.135CC..Hα-helixtrans-81.6-36.4175.6-55.2-62.1000110.7P565 L592 L597 L626 P627 R631 L632 C633P565-I629 HydrophobicContact CG-CD1 3.87Å; L592-I629 HydrophobicContact CD2-CD1 4.38Å; L597-I629 HydrophobicContact CB-CG2 3.96Å; L597-I629 HydrophobicContact CD2-CG2 4.32Å; L626-I629 HydrophobicContact CB-CB 4.36Å; L626-I629 HydrophobicContact CB-CG1 3.83Å; L626-I629 HydrophobicContact CD1-CG1 4.26Å; L626-I629 PolarHBondContact O-N 3.33Å; L626-I629 VanDerWaalsContact O-N 3.11Å; P627-I629 PolarHBondContact O-N 3.45Å; I629-R631 PolarHBondContact O-N 3.05Å; I629-L632 HydrophobicContact CD1-CD1 3.77Å; I629-L632 WeakPolarHBondContact O-CB 3.26Å; I629-L632 PolarHBondContact O-N 3.21Å; I629-C633 PolarHBondContact O-N 2.84Å; I629-C633 VanDerWaalsContact O-N 3.09Å; I629-C633 PolarHBondContact O-SG 2.73Å; I629-C633 VanDerWaalsContact O-SG 3.37Å
630M94Very high88.3Confident0 Ų020 Ų200%012%0.115CC..Hα-helixtrans-60.7-38.9168.7-173.357.78200111.2L597 L626 P627 L632 C633 R634 L653 Y660 L694 E697 C701L597-M630 HydrophobicContact CD1-CB 4.23Å; L597-M630 HydrophobicContact CD1-CE 4.15Å; L597-M630 HydrophobicContact CD2-CB 4.39Å; L597-M630 HydrophobicContact CD2-CE 3.83Å; L597-M630 HydrophobicContact CD2-SD 4.09Å; L597-M630 HydrophobicContact CG-CE 4.34Å; L626-M630 PolarHBondContact O-N 2.77Å; P627-M630 WeakPolarHBondContact O-CB 3.43Å; P627-M630 PolarHBondContact O-N 3.14Å; P627-M630 VanDerWaalsContact O-N 3.11Å; M630-L632 PolarHBondContact O-N 2.75Å; M630-C633 WeakPolarHBondContact O-CB 3.34Å; M630-C633 PolarHBondContact O-N 2.97Å; M630-C633 VanDerWaalsContact O-N 3.17Å; M630-C633 HydrophobicContact SD-CB 4.49Å; M630-R634 PolarHBondContact O-N 3.05Å; M630-L653 HydrophobicContact SD-CD1 4.35Å; M630-Y660 HydrophobicContact CE-CD2 3.63Å; M630-Y660 HydrophobicContact CE-CE2 3.55Å; M630-L694 HydrophobicContact CB-CD1 4.29Å; M630-E697 HydrophobicContact CB-CB 4.24Å; M630-E697 HydrophobicContact CB-CG 4.06Å; M630-E697 HydrophobicContact CG-CB 4.1Å; M630-E697 HydrophobicContact CG-CG 4.03Å; M630-C701 HydrophobicContact CG-CB 4.26Å; M630-C701 HydrophobicContact SD-CB 3.87Å
631R90.9Very high88.9Confident28 Ų2820 Ų2011%0.10611%0.11CC..Hα-helixtrans-59.1-43.8173.3179.6179.5174-171.8-6112.2E474 N478 I569 P627 S628 I629 C633 R634 I635 E697E474-R631 PolarHBondContact O-NH2 3.42Å; N478-R631 WeakPolarHBondContact OD1-CD 3.43Å; N478-R631 VanDerWaalsContact OD1-CZ 3.3Å; N478-R631 PolarHBondContact OD1-NE 3.41Å; I569-R631 HydrophobicContact CD1-CG 3.96Å; P627-R631 PolarHBondContact O-N 3.26Å; S628-R631 WeakPolarHBondContact O-CB 3.45Å; I629-R631 PolarHBondContact O-N 3.05Å; R631-C633 VanDerWaalsContact C-N 3.34Å; R631-C633 PolarHBondContact O-N 3Å; R631-R634 PolarHBondContact O-N 3.28Å; R631-I635 HydrophobicContact CG-CD1 3.95Å; R631-I635 WeakPolarHBondContact O-CG1 3.49Å; R631-I635 PolarHBondContact O-N 2.95Å; R631-E697 VanDerWaalsContact CA-OE1 3.24Å; R631-E697 WeakPolarHBondContact CA-OE1 3.3Å; R631-E697 HydrophobicContact CB-CG 3.74Å; R631-E697 WeakPolarHBondContact CB-OE1 3.37Å; R631-E697 WeakPolarHBondContact CG-OE1 3.33Å
632L92.6Very high89.5Confident2 Ų222.9 Ų22.91%0.0113%0.13CC..Hα-helixtrans-56.8-47.5173.1-78.3171.7000111.7P565 I568 I569 L572 S628 I629 M630 R634 I635 W636P565-L632 HydrophobicContact CB-CD1 4.04Å; P565-L632 HydrophobicContact CB-CG 4.21Å; P565-L632 HydrophobicContact CG-CD1 4.45Å; I568-L632 HydrophobicContact CB-CD2 3.77Å; I568-L632 HydrophobicContact CD1-CD1 4.46Å; I568-L632 HydrophobicContact CG2-CD2 3.58Å; I569-L632 HydrophobicContact CD1-CD2 4.27Å; I569-L632 HydrophobicContact CG1-CD2 3.45Å; I569-L632 VanDerWaalsContact CG1-CD2 3.45Å; I569-L632 HydrophobicContact CG1-CG 4.26Å; L572-L632 HydrophobicContact CD1-CD2 4.24Å; S628-L632 PolarHBondContact O-N 3.22Å; S628-L632 VanDerWaalsContact O-N 3.15Å; I629-L632 HydrophobicContact CD1-CD1 3.77Å; I629-L632 WeakPolarHBondContact O-CB 3.26Å; I629-L632 PolarHBondContact O-N 3.21Å; M630-L632 PolarHBondContact O-N 2.75Å; L632-R634 PolarHBondContact O-N 3.31Å; L632-I635 PolarHBondContact O-N 2.89Å; L632-W636 PolarHBondContact O-N 3.07Å
633C93.9Very high89.9Confident2 Ų219.2 Ų19.21%0.01411%0.11CC..Hα-helixtrans-58.2-47.5178.2-64.30000111.6I629 M630 R631 W636 T637 F647 L653I629-C633 PolarHBondContact O-N 2.84Å; I629-C633 VanDerWaalsContact O-N 3.09Å; I629-C633 PolarHBondContact O-SG 2.73Å; I629-C633 VanDerWaalsContact O-SG 3.37Å; M630-C633 WeakPolarHBondContact O-CB 3.34Å; M630-C633 PolarHBondContact O-N 2.97Å; M630-C633 VanDerWaalsContact O-N 3.17Å; M630-C633 HydrophobicContact SD-CB 4.49Å; R631-C633 VanDerWaalsContact C-N 3.34Å; R631-C633 PolarHBondContact O-N 3Å; C633-W636 WeakPolarHBondContact O-CB 3.28Å; C633-W636 PolarHBondContact O-N 3.06Å; C633-T637 WeakPolarHBondContact O-CG2 3.38Å; C633-T637 PolarHBondContact O-N 2.83Å; C633-F647 HydrophobicContact CB-CE1 4.13Å; C633-L653 HydrophobicContact CB-CD1 3.95Å
634R91.1Very high90.4Very high1 Ų115 Ų150%0.0049%0.088CC..Hα-helixtrans-58.8-51.1177.6-178.2-179.75977.21.4112.2N478 E482 M630 R631 L632 W636 T637 Q638 E697 R700 C701N478-R634 PolarHBondContact OD1-NH2 3.34Å; E482-R634 VanDerWaalsContact CD-NH2 3.31Å; E482-R634 IonicContact OE1-CZ 2.98Å; E482-R634 IonicContact OE1-NE 3.91Å; E482-R634 IonicContact OE1-NH1 2.82Å; E482-R634 PolarHBondContact OE1-NH1 2.77Å; E482-R634 IonicContact OE1-NH2 4Å; E482-R634 PolarHBondContact OE1-NH2 2.92Å; E482-R634 IonicContact OE2-CZ 3.82Å; E482-R634 IonicContact OE2-NE 2.65Å; E482-R634 IonicContact OE2-NH1 3.16Å; E482-R634 IonicContact OE2-NH2 3.72Å; E482-R634 PolarHBondContact OE2-NH2 3Å; M630-R634 PolarHBondContact O-N 3.05Å; R631-R634 PolarHBondContact O-N 3.28Å; L632-R634 PolarHBondContact O-N 3.31Å; R634-W636 VanDerWaalsContact C-N 3.26Å; R634-W636 PolarHBondContact O-N 2.89Å; R634-T637 PolarHBondContact O-N 3.43Å; R634-T637 PolarHBondContact O-OG1 3.09Å; R634-Q638 PolarHBondContact O-N 3.29Å; R634-E697 IonicContact CZ-OE1 3.07Å; R634-E697 VanDerWaalsContact CZ-OE1 3.25Å; R634-E697 IonicContact NE-OE1 2.85Å; R634-E697 PolarHBondContact NE-OE1 2.7Å; R634-E697 IonicContact NH2-OE1 2.74Å; R634-E697 PolarHBondContact NH2-OE1 3.4Å; R634-R700 VanDerWaalsContact CD-CB 3.45Å; R634-C701 HydrophobicContact CB-CB 3.94Å; R634-C701 HydrophobicContact CG-CB 4.4Å
635I89.2Confident90.8Very high1 Ų118.6 Ų18.61%0.00511%0.107CC..Hα-helixtrans-60-40-178.8-67.9172000110.4I569 L572 R631 L632 T637 Q638 I639I569-I635 HydrophobicContact CB-CD1 4.44Å; I569-I635 HydrophobicContact CD1-CD1 3.87Å; I569-I635 HydrophobicContact CG1-CD1 3.86Å; I569-I635 HydrophobicContact CG2-CD1 3.76Å; L572-I635 HydrophobicContact CB-CG2 4.1Å; L572-I635 HydrophobicContact CD1-CG2 4.13Å; R631-I635 HydrophobicContact CG-CD1 3.95Å; R631-I635 WeakPolarHBondContact O-CG1 3.49Å; R631-I635 PolarHBondContact O-N 2.95Å; L632-I635 PolarHBondContact O-N 2.89Å; I635-T637 PolarHBondContact O-N 2.64Å; I635-Q638 PolarHBondContact O-N 3.49Å; I635-I639 HydrophobicContact CG2-CD1 4.49Å; I635-I639 WeakPolarHBondContact O-CD1 3.48Å; I635-I639 WeakPolarHBondContact O-CG1 3.22Å
636W91.8Very high90.9Very high3 Ų319 Ų191%0.01111%0.11CC..Hα-helixtrans-59.2-46172.8-108.1-45.3000113.2I568 L572 A579 I582 F583 L588 V589 L632 C633 R634 Q638 I639 I643 F647I568-W636 HydrophobicContact CG2-CH2 4.43Å; L572-W636 HydrophobicContact CD1-CD2 3.78Å; L572-W636 HydrophobicContact CD1-CE3 4.21Å; L572-W636 HydrophobicContact CD1-CG 3.89Å; L572-W636 HydrophobicContact CD2-CD2 4.17Å; L572-W636 HydrophobicContact CD2-CG 4.28Å; L572-W636 HydrophobicContact CD2-CZ2 4.03Å; A579-W636 PolarHBondContact O-NE1 2.94Å; I582-W636 HydrophobicContact CB-CZ2 4.4Å; I582-W636 HydrophobicContact CG2-CH2 4.35Å; I582-W636 HydrophobicContact CG2-CZ2 3.72Å; F583-W636 HydrophobicContact CB-CZ2 4.38Å; F583-W636 HydrophobicContact CD2-CD2 4.36Å; F583-W636 HydrophobicContact CD2-CG 4.43Å; F583-W636 HydrophobicContact CD2-CZ2 4.47Å; F583-W636 AromaticContact CD2-NE1 3.94Å; L588-W636 HydrophobicContact CD2-CH2 4.46Å; V589-W636 HydrophobicContact CG2-CH2 3.84Å; V589-W636 HydrophobicContact CG2-CZ2 4.23Å; V589-W636 HydrophobicContact CG2-CZ3 4.14Å; L632-W636 PolarHBondContact O-N 3.07Å; C633-W636 WeakPolarHBondContact O-CB 3.28Å; C633-W636 PolarHBondContact O-N 3.06Å; R634-W636 VanDerWaalsContact C-N 3.26Å; R634-W636 PolarHBondContact O-N 2.89Å; W636-Q638 VanDerWaalsContact C-N 3.26Å; W636-Q638 PolarHBondContact O-N 2.81Å; W636-I639 WeakPolarHBondContact O-CB 3.48Å; W636-I639 PolarHBondContact O-N 3.19Å; W636-I643 HydrophobicContact CB-CG2 3.97Å; W636-I643 HydrophobicContact CG-CG2 4.2Å; W636-I643 WeakPolarHBondContact O-CG2 3.4Å; W636-F647 HydrophobicContact CB-CD2 4.43Å; W636-F647 HydrophobicContact CB-CE2 3.61Å; W636-F647 HydrophobicContact CB-CZ 4.18Å; W636-F647 HydrophobicContact CD2-CE2 4.15Å; W636-F647 HydrophobicContact CD2-CZ 4.16Å; W636-F647 HydrophobicContact CE3-CE2 4.23Å; W636-F647 AromaticContact CE3-CZ 3.77Å; W636-F647 HydrophobicContact CE3-CZ 3.77Å; W636-F647 AromaticContact CG-CE2 3.94Å; W636-F647 HydrophobicContact CG-CE2 3.94Å; W636-F647 HydrophobicContact CG-CZ 4.38Å; W636-F647 HydrophobicContact CZ3-CZ 4.46Å
637T89.5Confident91.1Very high0 Ų018.8 Ų18.80%011%0.109CC..Hα-helixtrans-65.3-30-178.864.10000112.7C633 R634 I635 I639 L644 F647 L653 S704 R709C633-T637 WeakPolarHBondContact O-CG2 3.38Å; C633-T637 PolarHBondContact O-N 2.83Å; R634-T637 PolarHBondContact O-N 3.43Å; R634-T637 PolarHBondContact O-OG1 3.09Å; I635-T637 PolarHBondContact O-N 2.64Å; T637-I639 VanDerWaalsContact C-N 3.26Å; T637-I639 PolarHBondContact O-N 3.29Å; T637-L644 HydrophobicContact CG2-CD1 4Å; T637-F647 HydrophobicContact CG2-CB 4.09Å; T637-F647 HydrophobicContact CG2-CD2 4.03Å; T637-F647 HydrophobicContact CG2-CG 4.13Å; T637-L653 HydrophobicContact CG2-CD2 3.58Å; T637-S704 PolarHBondContact OG1-OG 3.36Å; T637-R709 PolarHBondContact O-NH1 3.39Å
638Q86.5Confident91.3Very high27 Ų2718.3 Ų18.313%0.12611%0.106CC..Hα-helixtrans-70.9-21.4178.8-73.7176.8-30.200113E486 R634 I635 W636 R709E486-Q638 PolarHBondContact OE1-NE2 3.36Å; E486-Q638 VanDerWaalsContact OE1-NE2 3.08Å; R634-Q638 PolarHBondContact O-N 3.29Å; I635-Q638 PolarHBondContact O-N 3.49Å; W636-Q638 VanDerWaalsContact C-N 3.26Å; W636-Q638 PolarHBondContact O-N 2.81Å; Q638-R709 PolarHBondContact O-NH2 3.35Å; Q638-R709 VanDerWaalsContact O-NH2 3.13Å
639I86.3Confident91.5Very high24 Ų2420.7 Ų20.712%0.12312%0.117CC..Hα-helixtrans-76.6-44.1-173.1-69.6165.2000112.9C492 F494 L572 A579 I635 W636 T637 I643C492-I639 HydrophobicContact CB-CG1 4.44Å; F494-I639 HydrophobicContact CE1-CG1 4.29Å; F494-I639 HydrophobicContact CE1-CG2 4.42Å; F494-I639 HydrophobicContact CZ-CG1 4.47Å; F494-I639 HydrophobicContact CZ-CG2 4.11Å; L572-I639 HydrophobicContact CB-CD1 3.99Å; A579-I639 HydrophobicContact CB-CD1 3.48Å; A579-I639 VanDerWaalsContact CB-CD1 3.48Å; A579-I639 HydrophobicContact CB-CG2 4Å; I635-I639 HydrophobicContact CG2-CD1 4.49Å; I635-I639 WeakPolarHBondContact O-CD1 3.48Å; I635-I639 WeakPolarHBondContact O-CG1 3.22Å; W636-I639 WeakPolarHBondContact O-CB 3.48Å; W636-I639 PolarHBondContact O-N 3.19Å; T637-I639 VanDerWaalsContact C-N 3.26Å; T637-I639 PolarHBondContact O-N 3.29Å; I639-I643 HydrophobicContact CG2-CD1 4.34Å
640S86.8Confident91.5Very high40 Ų4026 Ų2628%0.2815%0.146SC..  trans-152141.4-176.2175.60000111.4S642 I643 L644S640-S642 PolarHBondContact O-N 3.44Å; S640-S642 PolarHBondContact OG-N 2.68Å; S640-S642 PolarHBondContact OG-OG 3.11Å; S640-I643 PolarHBondContact O-N 3.07Å; S640-I643 VanDerWaalsContact O-N 3.13Å; S640-L644 PolarHBondContact O-N 2.76Å
641D88.1Confident91.5Very high68 Ų6828 Ų2836%0.36416%0.155SC..Hα-helixtrans-64.3-29175.1-62.1-20.2000111.9I643 L644 L645 R709D641-I643 VanDerWaalsContact C-N 3.34Å; D641-I643 PolarHBondContact O-N 2.77Å; D641-L644 PolarHBondContact O-N 2.75Å; D641-L645 WeakPolarHBondContact O-CB 3.19Å; D641-L645 VanDerWaalsContact O-CG 3.23Å; D641-L645 WeakPolarHBondContact O-CG 3.49Å; D641-L645 PolarHBondContact O-N 3.13Å; D641-R709 WeakPolarHBondContact OD1-CD 3.41Å; D641-R709 IonicContact OD1-CZ 3.49Å; D641-R709 IonicContact OD1-NE 3.63Å; D641-R709 IonicContact OD1-NH1 2.82Å; D641-R709 PolarHBondContact OD1-NH1 3.13Å
642S90.5Very high91.7Very high63 Ų6330.4 Ų30.444%0.44117%0.167SC..Hα-helixtrans-65.1-39.3174.468.50000112.2S640 A646S640-S642 PolarHBondContact O-N 3.44Å; S640-S642 PolarHBondContact OG-N 2.68Å; S640-S642 PolarHBondContact OG-OG 3.11Å; S642-A646 PolarHBondContact O-N 2.71Å; S642-A646 VanDerWaalsContact O-N 3.13Å
643I91.8Very high91.8Very high1 Ų130.4 Ų30.41%0.00517%0.167CC..Hα-helixtrans-71.6-43.8178-64.2174.9000109Y580 F583 W636 I639 S640 D641 L645 A646 F647Y580-I643 HydrophobicContact CD2-CD1 4.49Å; F583-I643 HydrophobicContact CB-CD1 4.36Å; F583-I643 HydrophobicContact CD1-CG1 4.06Å; F583-I643 HydrophobicContact CD2-CG2 3.89Å; F583-I643 HydrophobicContact CE1-CG1 4.4Å; F583-I643 HydrophobicContact CE2-CG2 3.92Å; F583-I643 HydrophobicContact CG-CD1 4.38Å; F583-I643 HydrophobicContact CG-CG1 4.2Å; F583-I643 HydrophobicContact CG-CG2 4.26Å; F583-I643 HydrophobicContact CZ-CG2 4.3Å; W636-I643 HydrophobicContact CB-CG2 3.97Å; W636-I643 HydrophobicContact CG-CG2 4.2Å; W636-I643 WeakPolarHBondContact O-CG2 3.4Å; I639-I643 HydrophobicContact CG2-CD1 4.34Å; S640-I643 PolarHBondContact O-N 3.07Å; S640-I643 VanDerWaalsContact O-N 3.13Å; D641-I643 VanDerWaalsContact C-N 3.34Å; D641-I643 PolarHBondContact O-N 2.77Å; I643-L645 VanDerWaalsContact C-N 3.35Å; I643-L645 PolarHBondContact O-N 2.75Å; I643-A646 PolarHBondContact O-N 3.28Å; I643-F647 HydrophobicContact CG2-CD2 3.69Å; I643-F647 HydrophobicContact CG2-CE2 3.73Å; I643-F647 WeakPolarHBondContact O-CD2 3.45Å; I643-F647 PolarHBondContact O-N 3.48Å
644L93Very high91.8Very high2 Ų230.3 Ų30.31%0.0117%0.167CC..Hα-helixtrans-54.8-48.9173.4171.162.4000111.7T637 S640 D641 A646 F647 V648 C705 P712T637-L644 HydrophobicContact CG2-CD1 4Å; S640-L644 PolarHBondContact O-N 2.76Å; D641-L644 PolarHBondContact O-N 2.75Å; L644-A646 VanDerWaalsContact C-N 3.34Å; L644-A646 PolarHBondContact O-N 3.31Å; L644-F647 PolarHBondContact O-N 3.4Å; L644-V648 HydrophobicContact CD1-CG2 3.99Å; L644-V648 WeakPolarHBondContact O-CG2 3.25Å; L644-V648 PolarHBondContact O-N 2.73Å; L644-C705 HydrophobicContact CD1-CB 4.21Å; L644-P712 HydrophobicContact CD1-CG 4.43Å; L644-P712 HydrophobicContact CD2-CG 3.91Å; L644-P712 HydrophobicContact CG-CG 3.87Å
645L93.5Very high91.9Very high80 Ų8032.7 Ų32.742%0.41918%0.178SC..Hα-helixtrans-59.6-43.2178.2-75.3167.7000112D641 I643 V648 N649 P712D641-L645 WeakPolarHBondContact O-CB 3.19Å; D641-L645 VanDerWaalsContact O-CG 3.23Å; D641-L645 WeakPolarHBondContact O-CG 3.49Å; D641-L645 PolarHBondContact O-N 3.13Å; I643-L645 VanDerWaalsContact C-N 3.35Å; I643-L645 PolarHBondContact O-N 2.75Å; L645-V648 PolarHBondContact O-N 2.79Å; L645-N649 VanDerWaalsContact O-CB 3.25Å; L645-N649 WeakPolarHBondContact O-CB 3.23Å; L645-N649 VanDerWaalsContact O-CG 3.29Å; L645-N649 PolarHBondContact O-N 3.39Å; L645-N649 PolarHBondContact O-ND2 3.36Å; L645-P712 HydrophobicContact CD2-CB 3.94Å; L645-P712 HydrophobicContact CD2-CG 4.08Å
646A94.2Very high92.2Very high17 Ų1733.5 Ų33.514%0.1418%0.181CC..Hα-helixtrans-63.6-42.2175.900000111.9F583 S642 I643 L644 V648 D650 H651F583-A646 HydrophobicContact CE1-CB 4.08Å; F583-A646 HydrophobicContact CZ-CB 3.66Å; S642-A646 PolarHBondContact O-N 2.71Å; S642-A646 VanDerWaalsContact O-N 3.13Å; I643-A646 PolarHBondContact O-N 3.28Å; L644-A646 VanDerWaalsContact C-N 3.34Å; L644-A646 PolarHBondContact O-N 3.31Å; A646-V648 PolarHBondContact O-N 3.19Å; A646-D650 WeakPolarHBondContact O-CA 3.23Å; A646-D650 WeakPolarHBondContact O-CB 3.42Å; A646-D650 PolarHBondContact O-N 3.42Å; A646-H651 PolarHBondContact O-N 2.86Å
647F95.5Very high92.3Very high1 Ų133.4 Ų33.40%0.00418%0.18CC..Hα-helixtrans-62.5-41.6176.2-93.7-75.7000112.9F583 V589 L593 C633 W636 T637 I643 L644 H651 H652 L653F583-F647 AromaticContact CD2-CE2 3.92Å; F583-F647 HydrophobicContact CD2-CE2 3.92Å; F583-F647 AromaticContact CE2-CD2 3.94Å; F583-F647 HydrophobicContact CE2-CD2 3.94Å; F583-F647 AromaticContact CE2-CE2 3.45Å; F583-F647 HydrophobicContact CE2-CE2 3.45Å; F583-F647 VanDerWaalsContact CE2-CE2 3.45Å; F583-F647 HydrophobicContact CE2-CZ 4.08Å; F583-F647 HydrophobicContact CZ-CE2 4.48Å; V589-F647 HydrophobicContact CG1-CE1 3.77Å; V589-F647 HydrophobicContact CG1-CZ 3.79Å; L593-F647 HydrophobicContact CD1-CE1 4.42Å; C633-F647 HydrophobicContact CB-CE1 4.13Å; W636-F647 HydrophobicContact CB-CD2 4.43Å; W636-F647 HydrophobicContact CB-CE2 3.61Å; W636-F647 HydrophobicContact CB-CZ 4.18Å; W636-F647 HydrophobicContact CD2-CE2 4.15Å; W636-F647 HydrophobicContact CD2-CZ 4.16Å; W636-F647 HydrophobicContact CE3-CE2 4.23Å; W636-F647 AromaticContact CE3-CZ 3.77Å; W636-F647 HydrophobicContact CE3-CZ 3.77Å; W636-F647 AromaticContact CG-CE2 3.94Å; W636-F647 HydrophobicContact CG-CE2 3.94Å; W636-F647 HydrophobicContact CG-CZ 4.38Å; W636-F647 HydrophobicContact CZ3-CZ 4.46Å; T637-F647 HydrophobicContact CG2-CB 4.09Å; T637-F647 HydrophobicContact CG2-CD2 4.03Å; T637-F647 HydrophobicContact CG2-CG 4.13Å; I643-F647 HydrophobicContact CG2-CD2 3.69Å; I643-F647 HydrophobicContact CG2-CE2 3.73Å; I643-F647 WeakPolarHBondContact O-CD2 3.45Å; I643-F647 PolarHBondContact O-N 3.48Å; L644-F647 PolarHBondContact O-N 3.4Å; F647-H651 HydrophobicContact CD1-CB 4.04Å; F647-H651 CarbonylContact O-C 3.27Å; F647-H651 PolarHBondContact O-N 3.37Å; F647-H652 PolarHBondContact O-N 3.44Å; F647-L653 HydrophobicContact CB-CB 4.06Å; F647-L653 HydrophobicContact CB-CD2 3.83Å; F647-L653 HydrophobicContact CD1-CD1 4.41Å; F647-L653 HydrophobicContact CG-CD2 4.38Å; F647-L653 VanDerWaalsContact O-CB 3.29Å; F647-L653 WeakPolarHBondContact O-CB 3.32Å; F647-L653 PolarHBondContact O-N 3.36Å
648V94.3Very high92.5Very high0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-71.8-42.6179.7171.80000111.8L644 L645 A646 I654 P712 K714 A715L644-V648 HydrophobicContact CD1-CG2 3.99Å; L644-V648 WeakPolarHBondContact O-CG2 3.25Å; L644-V648 PolarHBondContact O-N 2.73Å; L645-V648 PolarHBondContact O-N 2.79Å; A646-V648 PolarHBondContact O-N 3.19Å; V648-I654 HydrophobicContact CG1-CG1 4.21Å; V648-I654 HydrophobicContact CG2-CD1 4.32Å; V648-I654 HydrophobicContact CG2-CG1 4.16Å; V648-P712 HydrophobicContact CG1-CB 4.21Å; V648-P712 HydrophobicContact CG2-CB 4.49Å; V648-P712 HydrophobicContact CG2-CG 4.25Å; V648-K714 HydrophobicContact CG1-CB 4.03Å; V648-K714 HydrophobicContact CG1-CD 4.17Å; V648-K714 HydrophobicContact CG1-CG 4.31Å; V648-K714 PolarHBondContact O-NZ 3.37Å; V648-A715 HydrophobicContact CG1-CB 4.15Å; V648-A715 HydrophobicContact CG2-CB 4.46Å
649N94.4Very high92.6Very high73 Ų7333.7 Ų33.739%0.3918%0.184SC..Hα-helixtrans-84.5-49.5-173.8-66.5-26.6000112.4L645L645-N649 VanDerWaalsContact O-CB 3.25Å; L645-N649 WeakPolarHBondContact O-CB 3.23Å; L645-N649 VanDerWaalsContact O-CG 3.29Å; L645-N649 PolarHBondContact O-N 3.39Å; L645-N649 PolarHBondContact O-ND2 3.36Å
650D94.1Very high92.9Very high114 Ų11432.6 Ų32.661%0.6118%0.178SC*.THydrogen-bonded Turntrans-97.6-28.8-168.4-53.1-30.3000112.6A646A646-D650 WeakPolarHBondContact O-CA 3.23Å; A646-D650 WeakPolarHBondContact O-CB 3.42Å; A646-D650 PolarHBondContact O-N 3.42Å
651H94.1Very high93.1Very high40 Ų4030.8 Ų30.819%0.18517%0.166CC..SBendtrans-107.63.3-176.4-61-41.8000114.9L593 A646 F647 L653 R656L593-H651 HydrophobicContact CD1-CB 3.7Å; A646-H651 PolarHBondContact O-N 2.86Å; F647-H651 HydrophobicContact CD1-CB 4.04Å; F647-H651 CarbonylContact O-C 3.27Å; F647-H651 PolarHBondContact O-N 3.37Å; H651-L653 VanDerWaalsContact C-N 3.28Å; H651-L653 PolarHBondContact O-N 3.11Å; H651-R656 PolarHBondContact O-NE 2.82Å
652H94.2Very high93Very high80 Ų8028.6 Ų28.637%0.3716%0.155SC..  trans53.642.1176.8-60.4-76.5000113.3I599 F647 I654 E655 R656I599-H652 HydrophobicContact CD1-CB 4.32Å; F647-H652 PolarHBondContact O-N 3.44Å; H652-I654 VanDerWaalsContact C-N 3.33Å; H652-I654 PolarHBondContact O-N 2.93Å; H652-E655 VanDerWaalsContact CA-OE2 3.23Å; H652-E655 WeakPolarHBondContact CA-OE2 3.49Å; H652-E655 HydrophobicContact CB-CB 4.22Å; H652-E655 HydrophobicContact CB-CG 4.44Å; H652-E655 IonicContact CE1-OE1 3.16Å; H652-E655 IonicContact CG-OE1 3.54Å; H652-E655 IonicContact ND1-OE1 3.12Å; H652-E655 PolarHBondContact ND1-OE1 3.24Å; H652-E655 PolarHBondContact O-N 2.72Å; H652-R656 WeakPolarHBondContact O-CG 3.45Å; H652-R656 PolarHBondContact O-N 3.45Å
653L95.1Very high92.1Very high2 Ų230.8 Ų30.81%0.0116%0.155CC..Hα-helixtrans-58.2-42.5-174.2-179.864.8000112.9M630 C633 T637 F647 H651 R656 C657M630-L653 HydrophobicContact SD-CD1 4.35Å; C633-L653 HydrophobicContact CB-CD1 3.95Å; T637-L653 HydrophobicContact CG2-CD2 3.58Å; F647-L653 HydrophobicContact CB-CB 4.06Å; F647-L653 HydrophobicContact CB-CD2 3.83Å; F647-L653 HydrophobicContact CD1-CD1 4.41Å; F647-L653 HydrophobicContact CG-CD2 4.38Å; F647-L653 VanDerWaalsContact O-CB 3.29Å; F647-L653 WeakPolarHBondContact O-CB 3.32Å; F647-L653 PolarHBondContact O-N 3.36Å; H651-L653 VanDerWaalsContact C-N 3.28Å; H651-L653 PolarHBondContact O-N 3.11Å; L653-R656 PolarHBondContact O-N 3.28Å; L653-C657 PolarHBondContact O-N 2.94Å; L653-C657 PolarHBondContact O-SG 2.98Å
654I94.8Very high90.5Very high0 Ų037.3 Ų37.30%018%0.183CC..Hα-helixtrans-67.3-46.4-178.2-55.5-61.6000109.9V648 H652 R656 C657 L658 L702 A715 L718 L719V648-I654 HydrophobicContact CG1-CG1 4.21Å; V648-I654 HydrophobicContact CG2-CD1 4.32Å; V648-I654 HydrophobicContact CG2-CG1 4.16Å; H652-I654 VanDerWaalsContact C-N 3.33Å; H652-I654 PolarHBondContact O-N 2.93Å; I654-R656 VanDerWaalsContact C-N 3.31Å; I654-R656 PolarHBondContact O-N 3.37Å; I654-C657 PolarHBondContact O-N 2.93Å; I654-L658 HydrophobicContact CG2-CD1 3.91Å; I654-L658 HydrophobicContact CG2-CG 4.3Å; I654-L658 WeakPolarHBondContact O-CB 3.22Å; I654-L658 VanDerWaalsContact O-CG 3.3Å; I654-L658 WeakPolarHBondContact O-CG 3.45Å; I654-L658 PolarHBondContact O-N 2.88Å; I654-L702 HydrophobicContact CD1-CD2 3.61Å; I654-L702 HydrophobicContact CG2-CD2 4.25Å; I654-A715 HydrophobicContact CD1-CB 3.82Å; I654-A715 HydrophobicContact CG1-CB 3.85Å; I654-L718 HydrophobicContact CB-CD1 3.99Å; I654-L718 HydrophobicContact CG2-CB 3.81Å; I654-L718 HydrophobicContact CG2-CD1 4.02Å; I654-L719 HydrophobicContact CG2-CD2 4.26Å; I654-L719 HydrophobicContact CG2-CG 4.35Å
655E93.3Very high88.5Confident50 Ų5042.2 Ų42.223%0.23421%0.209CC..Hα-helixtrans-59.9-41.2177.2-57.192.5136.600111.2H652 S659 K714 L718H652-E655 VanDerWaalsContact CA-OE2 3.23Å; H652-E655 WeakPolarHBondContact CA-OE2 3.49Å; H652-E655 HydrophobicContact CB-CB 4.22Å; H652-E655 HydrophobicContact CB-CG 4.44Å; H652-E655 IonicContact CE1-OE1 3.16Å; H652-E655 IonicContact CG-OE1 3.54Å; H652-E655 IonicContact ND1-OE1 3.12Å; H652-E655 PolarHBondContact ND1-OE1 3.24Å; H652-E655 PolarHBondContact O-N 2.72Å; E655-S659 WeakPolarHBondContact O-CB 3.41Å; E655-S659 PolarHBondContact O-N 2.82Å; E655-K714 WeakPolarHBondContact OE1-CE 3.22Å; E655-K714 IonicContact OE1-NZ 3.73Å; E655-K714 PolarHBondContact OE1-NZ 3.11Å; E655-K714 IonicContact OE2-NZ 2.86Å; E655-L718 HydrophobicContact CG-CD1 4.09Å
656R93.7Very high86.1Confident19 Ų1943 Ų437%0.07222%0.221CC..Hα-helixtrans-60.2-52.9173.3-74.1175.9-162.7-86.4-3.4111.7L593 L597 I599 H651 H652 L653 I654 L658 S659 Y660L593-R656 PolarHBondContact O-NH1 3.39Å; L597-R656 PolarHBondContact O-NH1 3.06Å; I599-R656 HydrophobicContact CD1-CG 4.33Å; I599-R656 HydrophobicContact CG1-CG 3.46Å; I599-R656 VanDerWaalsContact CG1-CG 3.46Å; H651-R656 PolarHBondContact O-NE 2.82Å; H652-R656 WeakPolarHBondContact O-CG 3.45Å; H652-R656 PolarHBondContact O-N 3.45Å; L653-R656 PolarHBondContact O-N 3.28Å; I654-R656 VanDerWaalsContact C-N 3.31Å; I654-R656 PolarHBondContact O-N 3.37Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.46Å; R656-S659 WeakPolarHBondContact O-CB 3.46Å; R656-S659 PolarHBondContact O-N 3.15Å; R656-S659 VanDerWaalsContact O-N 3.14Å; R656-S659 PolarHBondContact O-OG 3.2Å; R656-Y660 HydrophobicContact CB-CE2 4.3Å; R656-Y660 WeakPolarHBondContact O-CD2 3.26Å; R656-Y660 WeakPolarHBondContact O-CE2 3.39Å; R656-Y660 PolarHBondContact O-N 2.99Å
657C94.9Very high83.6Confident0 Ų048.5 Ų48.50%025%0.254CS..Hα-helixtrans-58.1-45.8179.5-66.20000111.6L653 I654 S659 Y660 L661 L702L653-C657 PolarHBondContact O-N 2.94Å; L653-C657 PolarHBondContact O-SG 2.98Å; I654-C657 PolarHBondContact O-N 2.93Å; C657-S659 VanDerWaalsContact C-N 3.32Å; C657-S659 PolarHBondContact O-N 3.22Å; C657-Y660 PolarHBondContact O-N 3.13Å; C657-Y660 VanDerWaalsContact O-N 3.11Å; C657-L661 VanDerWaalsContact O-CG 3.3Å; C657-L661 WeakPolarHBondContact O-CG 3.2Å; C657-L661 PolarHBondContact O-N 3.05Å; C657-L702 HydrophobicContact CB-CD1 3.97Å; C657-L702 HydrophobicContact CB-CD2 3.61Å; C657-L702 HydrophobicContact CB-CG 3.64Å
658L92.9Very high81.4Confident14 Ų1451.7 Ų51.77%0.07329%0.287CS..Hα-helixtrans-64.2-36177.9-67.4176.7000112I654 R656 Y660 L661 C662 L702 L719 N722 I726I654-L658 HydrophobicContact CG2-CD1 3.91Å; I654-L658 HydrophobicContact CG2-CG 4.3Å; I654-L658 WeakPolarHBondContact O-CB 3.22Å; I654-L658 VanDerWaalsContact O-CG 3.3Å; I654-L658 WeakPolarHBondContact O-CG 3.45Å; I654-L658 PolarHBondContact O-N 2.88Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.46Å; L658-Y660 PolarHBondContact O-N 3.09Å; L658-L661 PolarHBondContact O-N 2.77Å; L658-L661 VanDerWaalsContact O-N 3.11Å; L658-C662 PolarHBondContact O-N 3.07Å; L658-L702 HydrophobicContact CD2-CD1 4.31Å; L658-L719 HydrophobicContact CD2-CD2 4.27Å; L658-N722 HydrophobicContact CD1-CB 4.13Å; L658-I726 HydrophobicContact CD2-CD1 3.81Å; L658-I726 HydrophobicContact CD2-CG1 3.78Å
659S89.6Confident79.2Confident20 Ų2058 Ų5814%0.1432%0.32CS..Hα-helixtrans-63.5-19.6175.181.10000113.8N600 E655 R656 C657N600-S659 PolarHBondContact N-OG 3.14Å; E655-S659 WeakPolarHBondContact O-CB 3.41Å; E655-S659 PolarHBondContact O-N 2.82Å; R656-S659 WeakPolarHBondContact O-CB 3.46Å; R656-S659 PolarHBondContact O-N 3.15Å; R656-S659 VanDerWaalsContact O-N 3.14Å; R656-S659 PolarHBondContact O-OG 3.2Å; C657-S659 VanDerWaalsContact C-N 3.32Å; C657-S659 PolarHBondContact O-N 3.22Å
660Y92Very high77.3Confident0 Ų060.7 Ų60.70%033%0.331CS..Hα-helixtrans-98.5-9.8176.1-51.5-39.7000113.9L597 P598 N600 P625 M630 R656 C657 L658 F681 L682 L694 Q695L597-Y660 HydrophobicContact CD1-CE2 3.67Å; L597-Y660 HydrophobicContact CG-CE2 4Å; L597-Y660 PolarHBondContact O-OH 2.99Å; L597-Y660 VanDerWaalsContact O-OH 3.06Å; P598-Y660 WeakPolarHBondContact O-CE1 3.31Å; P598-Y660 PolarHBondContact O-OH 3.1Å; N600-Y660 HydrophobicContact CB-CD1 4.19Å; N600-Y660 HydrophobicContact CB-CE1 4.08Å; P625-Y660 HydrophobicContact CB-CD1 4.47Å; P625-Y660 HydrophobicContact CB-CE1 3.73Å; P625-Y660 HydrophobicContact CB-CE2 4.4Å; P625-Y660 HydrophobicContact CG-CD1 4.5Å; P625-Y660 HydrophobicContact CG-CE1 3.98Å; M630-Y660 HydrophobicContact CE-CD2 3.63Å; M630-Y660 HydrophobicContact CE-CE2 3.55Å; R656-Y660 HydrophobicContact CB-CE2 4.3Å; R656-Y660 WeakPolarHBondContact O-CD2 3.26Å; R656-Y660 WeakPolarHBondContact O-CE2 3.39Å; R656-Y660 PolarHBondContact O-N 2.99Å; C657-Y660 PolarHBondContact O-N 3.13Å; C657-Y660 VanDerWaalsContact O-N 3.11Å; L658-Y660 PolarHBondContact O-N 3.09Å; Y660-F681 WeakPolarHBondContact O-CE2 3.35Å; Y660-F681 VanDerWaalsContact O-CZ 3.24Å; Y660-F681 WeakPolarHBondContact O-CZ 3.48Å; Y660-L682 HydrophobicContact CD1-CD2 4.19Å; Y660-L694 HydrophobicContact CD1-CD2 4.1Å; Y660-L694 HydrophobicContact CD2-CD1 4.11Å; Y660-L694 HydrophobicContact CD2-CD2 4.29Å; Y660-L694 HydrophobicContact CD2-CG 4.22Å; Y660-L694 HydrophobicContact CE2-CD1 4.36Å; Y660-L694 HydrophobicContact CG-CD2 3.96Å; Y660-L694 HydrophobicContact CG-CG 4.22Å; Y660-Q695 WeakPolarHBondContact O-CG 3.38Å
661L91.1Very high75.4Confident3 Ų359.2 Ų59.22%0.01633%0.329CS..Hα-helixtrans-114.9-43.3-174.8-67.2174000113.6C657 L658 Q695 I699 L702 S729 W763C657-L661 VanDerWaalsContact O-CG 3.3Å; C657-L661 WeakPolarHBondContact O-CG 3.2Å; C657-L661 PolarHBondContact O-N 3.05Å; L658-L661 PolarHBondContact O-N 2.77Å; L658-L661 VanDerWaalsContact O-N 3.11Å; L661-Q695 HydrophobicContact CD2-CB 3.8Å; L661-Q695 HydrophobicContact CD2-CG 4.05Å; L661-I699 HydrophobicContact CD1-CG1 3.85Å; L661-I699 HydrophobicContact CD2-CD1 4.03Å; L661-I699 HydrophobicContact CD2-CG1 3.62Å; L661-I699 HydrophobicContact CG-CG1 4.41Å; L661-L702 HydrophobicContact CD1-CD1 3.63Å; L661-S729 WeakPolarHBondContact O-CB 3.46Å; L661-S729 PolarHBondContact O-OG 3.34Å; L661-W763 HydrophobicContact CB-CH2 4.22Å; L661-W763 HydrophobicContact CD1-CH2 4.24Å; L661-W763 HydrophobicContact CD2-CH2 4.13Å; L661-W763 HydrophobicContact CD2-CZ2 3.91Å; L661-W763 HydrophobicContact CG-CH2 4.44Å
662C85.4Confident73.9Confident21 Ų2163 Ų6314%0.14235%0.351CS..  trans-100.1127.3-171.7-62.20000110.1L658 D725L658-C662 PolarHBondContact O-N 3.07Å; C662-D725 HydrophobicContact CB-CB 4.13Å
663Y72.1Confident72.9Confident110 Ų11061.1 Ų61.143%0.43134%0.343SS..  trans-122.9139.8174.1-178-116.1000109.9D665 F681Y663-D665 HydrophobicContact CD1-CB 4.11Å; Y663-D665 HydrophobicContact CE1-CB 3.38Å; Y663-D665 VanDerWaalsContact CZ-OD2 3.3Å; Y663-D665 PolarHBondContact OH-OD2 3.23Å; Y663-F681 HydrophobicContact CD1-CB 4.43Å; Y663-F681 HydrophobicContact CD2-CB 3.29Å; Y663-F681 HydrophobicContact CD2-CD2 4.45Å; Y663-F681 AromaticContact CD2-CG 3.89Å; Y663-F681 HydrophobicContact CD2-CG 3.89Å; Y663-F681 HydrophobicContact CE2-CB 3.65Å; Y663-F681 HydrophobicContact CG-CB 3.73Å; Y663-F681 HydrophobicContact CG-CD1 4.17Å; Y663-F681 AromaticContact CG-CG 4Å; Y663-F681 HydrophobicContact CG-CG 4Å
664K57.9Low72Confident138 Ų13863.8 Ų63.860%0.636%0.36SS*.  trans-98.62.6-167.8-71.2-165.6173.6-173.10115.9S666 D725K664-S666 PolarHBondContact O-N 3.28Å; K664-D725 WeakPolarHBondContact CE-OD2 3.22Å
665D52.5Low71.2Confident105 Ų10564.2 Ų64.256%0.56136%0.363SS*.  trans-79.3129.2176.3-71.9-16.8000112.8Y663Y663-D665 HydrophobicContact CD1-CB 4.11Å; Y663-D665 HydrophobicContact CE1-CB 3.38Å; Y663-D665 VanDerWaalsContact CZ-OD2 3.3Å; Y663-D665 PolarHBondContact OH-OD2 3.23Å
666S42.2Very low70.4Confident96 Ų9664.2 Ų64.267%0.67137%0.368SS*.  trans-81.8144170.751.60000110.1K664K664-S666 PolarHBondContact O-N 3.28Å
667T41.6Very low69.7Low133 Ų13367.3 Ų67.382%0.81639%0.386SS*.  trans86.126.7156.2760000120.9N669T667-N669 PolarHBondContact O-N 3.04Å
668G49.9Very low69.1Low68 Ų6868.2 Ų68.270%0.70139%0.391SS*.  trans-67.9119.6156.900000110Q670G668-Q670 PolarHBondContact O-N 3.34Å
669N48.3Very low68.7Low132 Ų13267.5 Ų67.571%0.70639%0.387SS*.  trans-43.4114.5173.8-87.9-16.8000110.1T667 S671 N672T667-N669 PolarHBondContact O-N 3.04Å; N669-S671 PolarHBondContact O-N 2.89Å; N669-N672 PolarHBondContact O-N 3.32Å; N669-N672 VanDerWaalsContact O-N 3.17Å
670Q52.9Low68.1Low129 Ų12968.7 Ų68.760%0.60340%0.402SS*.G310 helixtrans-54.2-20.3-179.7-72.4-179.9-16.300112.7G668 N672G668-Q670 PolarHBondContact O-N 3.34Å; Q670-N672 VanDerWaalsContact C-N 3.26Å; Q670-N672 PolarHBondContact O-N 3.31Å
671S55.1Low67.6Low83 Ų8370.4 Ų70.458%0.5841%0.41SS*.G310 helixtrans-65.6-20.4-179.265.30000115N669N669-S671 PolarHBondContact O-N 2.89Å
672N63.7Low67.3Low119 Ų11970.4 Ų70.464%0.63641%0.41SS*.G310 helixtrans-124.436.2-171.4-64.58000113.2N669 Q670 N677N669-N672 PolarHBondContact O-N 3.32Å; N669-N672 VanDerWaalsContact O-N 3.17Å; Q670-N672 VanDerWaalsContact C-N 3.26Å; Q670-N672 PolarHBondContact O-N 3.31Å; N672-N677 PolarHBondContact O-ND2 3.5Å
673L72.5Confident67Low42 Ų4273 Ų7322%0.2242%0.42CS..  trans-74.5128.9176.1-163.268.5000110.3N677 L678 N732 L736L673-N677 HydrophobicContact CD1-CB 3.74Å; L673-L678 HydrophobicContact CD2-CD2 4.29Å; L673-N732 HydrophobicContact CD2-CB 4.05Å; L673-N732 WeakPolarHBondContact CD2-O 3.31Å; L673-L736 HydrophobicContact CD2-CB 3.92Å; L673-L736 HydrophobicContact CG-CB 4.47Å; L673-L736 VanDerWaalsContact O-CD1 3.22Å; L673-L736 WeakPolarHBondContact O-CD1 3.44Å
674T76.6Confident67.3Low58 Ų5870 Ų7036%0.35641%0.412SS..  trans-121.5166.2173.155.30000110.1S676 N677 L678T674-S676 PolarHBondContact O-N 2.86Å; T674-S676 PolarHBondContact OG1-OG 2.81Å; T674-N677 WeakPolarHBondContact O-CB 3.17Å; T674-N677 PolarHBondContact O-N 3.44Å; T674-N677 VanDerWaalsContact OG1-CG 3.25Å; T674-N677 PolarHBondContact OG1-OD1 2.69Å; T674-L678 PolarHBondContact O-N 3.5Å
675T76.4Confident68.4Low9 Ų965 Ų656%0.05540%0.396CS..Hα-helixtrans-54.2-41174.647.80000111.8N677 L678 L736 D753 L756T675-N677 PolarHBondContact O-N 2.91Å; T675-L678 PolarHBondContact O-N 3.43Å; T675-L736 HydrophobicContact CG2-CD2 4.02Å; T675-D753 WeakPolarHBondContact CG2-OD1 3.45Å; T675-L756 HydrophobicContact CG2-CD1 4.16Å; T675-L756 HydrophobicContact CG2-CD2 4.42Å; T675-L756 HydrophobicContact CG2-CG 4.37Å
676S76.6Confident69.9Low50 Ų5060 Ų6035%0.3537%0.369SS..Hα-helixtrans-59.2-32.717561.20000113.2T674 V679 G680T674-S676 PolarHBondContact O-N 2.86Å; T674-S676 PolarHBondContact OG1-OG 2.81Å; S676-V679 PolarHBondContact O-N 3.22Å; S676-G680 WeakPolarHBondContact O-CA 3.33Å; S676-G680 PolarHBondContact O-N 3.06Å
677N80.6Confident72Confident84 Ų8455.9 Ų55.945%0.44934%0.34SS..Hα-helixtrans-72.8-32.5-178.6-66.213.8000112.2N672 L673 T674 T675 V679 G680N672-N677 PolarHBondContact O-ND2 3.5Å; L673-N677 HydrophobicContact CD1-CB 3.74Å; T674-N677 WeakPolarHBondContact O-CB 3.17Å; T674-N677 PolarHBondContact O-N 3.44Å; T674-N677 VanDerWaalsContact OG1-CG 3.25Å; T674-N677 PolarHBondContact OG1-OD1 2.69Å; T675-N677 PolarHBondContact O-N 2.91Å; N677-V679 PolarHBondContact O-N 2.94Å; N677-G680 PolarHBondContact O-N 2.96Å
678L82.2Confident74Confident18 Ų1850.8 Ų50.89%0.09431%0.307CS..Hα-helixtrans-63.5-21.3174.9-71.6-177.4000113.1L673 T674 T675 F681 Q695 N732 L736 L756 L759L673-L678 HydrophobicContact CD2-CD2 4.29Å; T674-L678 PolarHBondContact O-N 3.5Å; T675-L678 PolarHBondContact O-N 3.43Å; L678-F681 WeakPolarHBondContact O-CE1 3.44Å; L678-Q695 PolarHBondContact O-NE2 3.06Å; L678-N732 HydrophobicContact CD2-CB 3.91Å; L678-L736 HydrophobicContact CD1-CD2 3.52Å; L678-L736 HydrophobicContact CG-CD2 3.96Å; L678-L756 HydrophobicContact CD1-CD2 3.76Å; L678-L759 HydrophobicContact CD1-CD2 4.33Å
679V83.6Confident75.6Confident0 Ų049 Ų490%028%0.284CS..Hα-helixtrans-114.8-9.8-171.7-1690000110.8R614 S676 N677 F681 L682 A691 I692R614-V679 PolarHBondContact NH2-O 3.17Å; S676-V679 PolarHBondContact O-N 3.22Å; N677-V679 PolarHBondContact O-N 2.94Å; V679-F681 PolarHBondContact O-N 2.7Å; V679-L682 HydrophobicContact CG1-CB 4.25Å; V679-L682 HydrophobicContact CG1-CD1 3.84Å; V679-L682 HydrophobicContact CG1-CG 4.41Å; V679-L682 WeakPolarHBondContact O-CB 3.21Å; V679-L682 PolarHBondContact O-N 2.95Å; V679-A691 HydrophobicContact CB-CB 4.5Å; V679-A691 HydrophobicContact CG1-CB 3.1Å; V679-I692 HydrophobicContact CG2-CG1 3.81Å
680G76.6Confident77.5Confident45 Ų4543.8 Ų43.846%0.46426%0.256SS..THydrogen-bonded Turntrans-56.8-22.9-168.200000115.4S676 N677S676-G680 WeakPolarHBondContact O-CA 3.33Å; S676-G680 PolarHBondContact O-N 3.06Å; N677-G680 PolarHBondContact O-N 2.96Å
681F81.1Confident79.2Confident35 Ų3537.6 Ų37.615%0.15423%0.227CC..THydrogen-bonded Turntrans-83.7-11.5176.569.2-91.1000114.6N600 Y660 Y663 L678 V679N600-F681 PolarHBondContact ND2-O 3.34Å; Y660-F681 WeakPolarHBondContact O-CE2 3.35Å; Y660-F681 VanDerWaalsContact O-CZ 3.24Å; Y660-F681 WeakPolarHBondContact O-CZ 3.48Å; Y663-F681 HydrophobicContact CD1-CB 4.43Å; Y663-F681 HydrophobicContact CD2-CB 3.29Å; Y663-F681 HydrophobicContact CD2-CD2 4.45Å; Y663-F681 AromaticContact CD2-CG 3.89Å; Y663-F681 HydrophobicContact CD2-CG 3.89Å; Y663-F681 HydrophobicContact CE2-CB 3.65Å; Y663-F681 HydrophobicContact CG-CB 3.73Å; Y663-F681 HydrophobicContact CG-CD1 4.17Å; Y663-F681 AromaticContact CG-CG 4Å; Y663-F681 HydrophobicContact CG-CG 4Å; L678-F681 WeakPolarHBondContact O-CE1 3.44Å; V679-F681 PolarHBondContact O-N 2.7Å
682L85Confident80.8Confident4 Ų433.8 Ų33.82%0.02120%0.2CC..SBendtrans-83.9161.3175-62.2177.4000111.2R614 Y660 V679 N684 A691 L694 Q695R614-L682 PolarHBondContact NH2-O 3.41Å; Y660-L682 HydrophobicContact CD1-CD2 4.19Å; V679-L682 HydrophobicContact CG1-CB 4.25Å; V679-L682 HydrophobicContact CG1-CD1 3.84Å; V679-L682 HydrophobicContact CG1-CG 4.41Å; V679-L682 WeakPolarHBondContact O-CB 3.21Å; V679-L682 PolarHBondContact O-N 2.95Å; L682-N684 PolarHBondContact O-N 3.3Å; L682-A691 HydrophobicContact CD1-CB 3.96Å; L682-L694 HydrophobicContact CD1-CD2 4.47Å; L682-Q695 HydrophobicContact CD1-CG 4.34Å
683H79.9Confident81.9Confident74 Ų7428.8 Ų28.834%0.34317%0.173SC..  trans-53.1127-175.9-166-83.4000113.2A685 L686H683-A685 VanDerWaalsContact CE1-CB 3.45Å; H683-A685 WeakPolarHBondContact CE1-CB 3.34Å; H683-A685 VanDerWaalsContact ND1-CB 3.33Å; H683-A685 WeakPolarHBondContact ND1-CB 3.36Å; H683-A685 PolarHBondContact ND1-N 3.18Å; H683-A685 VanDerWaalsContact ND1-N 3.19Å; H683-A685 PolarHBondContact O-N 2.92Å; H683-A685 VanDerWaalsContact O-N 3.15Å; H683-L686 VanDerWaalsContact O-CB 3.29Å; H683-L686 WeakPolarHBondContact O-CB 3.28Å; H683-L686 PolarHBondContact O-N 3.16Å
684N77.5Confident82.9Confident49 Ų4926.8 Ų26.826%0.26216%0.162SC..THydrogen-bonded Turntrans-64-21.6-174.3-73.1-19.9000114.8R614 P615 L682 L686R614-N684 WeakPolarHBondContact CG-O 3.26Å; P615-N684 VanDerWaalsContact CD-O 3.27Å; P615-N684 WeakPolarHBondContact CD-O 3.15Å; L682-N684 PolarHBondContact O-N 3.3Å; N684-L686 PolarHBondContact O-N 3.31Å
685A81.1Confident83.6Confident32 Ų3224.4 Ų24.426%0.26415%0.147SC..THydrogen-bonded Turntrans-75.9-1117400000113.6P615 I624 H683 P687P615-A685 VanDerWaalsContact CG-O 3.27Å; P615-A685 WeakPolarHBondContact CG-O 3.44Å; I624-A685 HydrophobicContact CD1-CB 3.95Å; H683-A685 VanDerWaalsContact CE1-CB 3.45Å; H683-A685 WeakPolarHBondContact CE1-CB 3.34Å; H683-A685 VanDerWaalsContact ND1-CB 3.33Å; H683-A685 WeakPolarHBondContact ND1-CB 3.36Å; H683-A685 PolarHBondContact ND1-N 3.18Å; H683-A685 VanDerWaalsContact ND1-N 3.19Å; H683-A685 PolarHBondContact O-N 2.92Å; H683-A685 VanDerWaalsContact O-N 3.15Å; A685-P687 WeakPolarHBondContact O-CD 3.41Å
686L84.3Confident84.3Confident0 Ų024.5 Ų24.50%015%0.147CC..SBendtrans-85.7118.2179.8-16965.4000109.8R614 L618 I624 H683 N684 L690 A691 L694R614-L686 PolarHBondContact NH1-O 3.28Å; L618-L686 HydrophobicContact CD1-CD1 3.89Å; I624-L686 HydrophobicContact CG2-CB 4.4Å; I624-L686 HydrophobicContact CG2-CD1 3.95Å; H683-L686 VanDerWaalsContact O-CB 3.29Å; H683-L686 WeakPolarHBondContact O-CB 3.28Å; H683-L686 PolarHBondContact O-N 3.16Å; N684-L686 PolarHBondContact O-N 3.31Å; L686-L690 HydrophobicContact CD1-CB 3.76Å; L686-L690 HydrophobicContact CD1-CD1 4.28Å; L686-L690 HydrophobicContact CG-CB 4.18Å; L686-A691 HydrophobicContact CD2-CB 3.57Å; L686-A691 HydrophobicContact CG-CB 3.88Å; L686-L694 HydrophobicContact CD2-CD2 4.13Å
687P85.6Confident84.9Confident10 Ų1022.4 Ų22.47%0.06513%0.132CC..  trans-53.1148.6173.4-25.833.1000112.3P615 A685 C689 L690 A691P615-P687 WeakPolarHBondContact O-CB 3.46Å; P615-P687 WeakPolarHBondContact O-CG 3.19Å; A685-P687 WeakPolarHBondContact O-CD 3.41Å; P687-C689 VanDerWaalsContact C-N 3.32Å; P687-C689 PolarHBondContact O-N 3.16Å; P687-L690 HydrophobicContact CG-CD1 4.17Å; P687-L690 PolarHBondContact O-N 2.81Å; P687-A691 WeakPolarHBondContact O-CB 2.99Å; P687-A691 PolarHBondContact O-N 3.12Å
688I84.1Confident85.6Confident25 Ų2518.4 Ų18.413%0.12811%0.111CC..Hα-helixtrans-57.3-45.1-174.4-67.1169.9000111.3L690 A691 I692 E752I688-L690 PolarHBondContact O-N 2.79Å; I688-A691 PolarHBondContact O-N 3.43Å; I688-I692 HydrophobicContact CG2-CD1 3.97Å; I688-I692 WeakPolarHBondContact O-CG1 3.43Å; I688-I692 PolarHBondContact O-N 3.43Å; I688-E752 WeakPolarHBondContact CD1-OE1 3.12Å; I688-E752 WeakPolarHBondContact CD1-OE2 3.45Å; I688-E752 HydrophobicContact CG2-CB 4.36Å; I688-E752 HydrophobicContact CG2-CG 4.14Å
689C84.7Confident86.1Confident32 Ų3217.6 Ų17.622%0.21611%0.106CC..Hα-helixtrans-59.2-48.1178.8-55.60000112.4P687 A691 I692 Q693 F755P687-C689 VanDerWaalsContact C-N 3.32Å; P687-C689 PolarHBondContact O-N 3.16Å; C689-A691 VanDerWaalsContact C-N 3.27Å; C689-A691 PolarHBondContact O-N 3.47Å; C689-I692 PolarHBondContact O-N 3.38Å; C689-Q693 VanDerWaalsContact O-CG 3.29Å; C689-Q693 WeakPolarHBondContact O-CG 3.3Å; C689-Q693 PolarHBondContact O-N 3.18Å; C689-F755 HydrophobicContact CB-CE1 4.45Å; C689-F755 HydrophobicContact CB-CE2 3.96Å; C689-F755 HydrophobicContact CB-CZ 3.84Å; C689-F755 VanDerWaalsContact SG-CE2 3.57Å
690L86.5Confident86.4Confident21 Ų2118 Ų1811%0.1111%0.108CC..Hα-helixtrans-65.3-33.7178-68.5-177.6000111.5L618 P627 L686 P687 I688 Q693 L694 V1003L618-L690 HydrophobicContact CB-CD1 4.34Å; L618-L690 HydrophobicContact CD1-CD1 4.19Å; P627-L690 HydrophobicContact CG-CB 4.4Å; P627-L690 WeakPolarHBondContact CG-O 3.43Å; L686-L690 HydrophobicContact CD1-CB 3.76Å; L686-L690 HydrophobicContact CD1-CD1 4.28Å; L686-L690 HydrophobicContact CG-CB 4.18Å; P687-L690 HydrophobicContact CG-CD1 4.17Å; P687-L690 PolarHBondContact O-N 2.81Å; I688-L690 PolarHBondContact O-N 2.79Å; L690-Q693 PolarHBondContact O-N 3.06Å; L690-L694 WeakPolarHBondContact O-CB 3.23Å; L690-L694 PolarHBondContact O-N 3.2Å; L690-V1003 HydrophobicContact CD2-CG1 4.07Å
691A88.9Confident87Confident0 Ų015.8 Ų15.80%09%0.085CC..Hα-helixtrans-72.8-36.7179.500000112.7V679 L682 L686 P687 I688 C689 L694 Q695V679-A691 HydrophobicContact CB-CB 4.5Å; V679-A691 HydrophobicContact CG1-CB 3.1Å; L682-A691 HydrophobicContact CD1-CB 3.96Å; L686-A691 HydrophobicContact CD2-CB 3.57Å; L686-A691 HydrophobicContact CG-CB 3.88Å; P687-A691 WeakPolarHBondContact O-CB 2.99Å; P687-A691 PolarHBondContact O-N 3.12Å; I688-A691 PolarHBondContact O-N 3.43Å; C689-A691 VanDerWaalsContact C-N 3.27Å; C689-A691 PolarHBondContact O-N 3.47Å; A691-L694 WeakPolarHBondContact O-CB 3.37Å; A691-L694 PolarHBondContact O-N 3.39Å; A691-Q695 PolarHBondContact O-N 2.74Å
692I89Confident87.6Confident2 Ų214.2 Ų14.21%0.018%0.078CC..Hα-helixtrans-66.8-40.8170.4-63.5169.2000110.5V679 I688 C689 L694 Q695 I696 F755 L759V679-I692 HydrophobicContact CG2-CG1 3.81Å; I688-I692 HydrophobicContact CG2-CD1 3.97Å; I688-I692 WeakPolarHBondContact O-CG1 3.43Å; I688-I692 PolarHBondContact O-N 3.43Å; C689-I692 PolarHBondContact O-N 3.38Å; I692-L694 VanDerWaalsContact C-N 3.28Å; I692-L694 PolarHBondContact O-N 3.46Å; I692-Q695 WeakPolarHBondContact O-CB 3.5Å; I692-Q695 PolarHBondContact O-N 2.91Å; I692-Q695 VanDerWaalsContact O-N 3.14Å; I692-I696 HydrophobicContact CG2-CD1 3.97Å; I692-I696 HydrophobicContact CG2-CG1 4.42Å; I692-I696 WeakPolarHBondContact O-CG1 3.46Å; I692-I696 PolarHBondContact O-N 3.49Å; I692-F755 HydrophobicContact CB-CB 4.31Å; I692-F755 HydrophobicContact CD1-CB 3.85Å; I692-F755 HydrophobicContact CG2-CB 3.79Å; I692-L759 HydrophobicContact CG2-CB 4.23Å; I692-L759 HydrophobicContact CG2-CD2 4.15Å
693Q87.9Confident87.8Confident14 Ų1414 Ų147%0.0658%0.078CC..Hα-helixtrans-61.4-37173.9-72.7172.92.300112.5P627 C689 L690 Q695 I696 E697 F755 F1005P627-Q693 HydrophobicContact CB-CB 3.99Å; P627-Q693 HydrophobicContact CG-CB 3.92Å; C689-Q693 VanDerWaalsContact O-CG 3.29Å; C689-Q693 WeakPolarHBondContact O-CG 3.3Å; C689-Q693 PolarHBondContact O-N 3.18Å; L690-Q693 PolarHBondContact O-N 3.06Å; Q693-Q695 VanDerWaalsContact C-N 3.31Å; Q693-Q695 PolarHBondContact O-N 3.15Å; Q693-I696 PolarHBondContact O-N 3.5Å; Q693-E697 WeakPolarHBondContact O-CB 3.44Å; Q693-E697 PolarHBondContact O-N 3.27Å; Q693-F755 HydrophobicContact CG-CE1 4.38Å; Q693-F1005 VanDerWaalsContact NE2-N 3.17Å
694L92.2Very high88.1Confident0 Ų010.6 Ų10.60%06%0.062CC..Hα-helixtrans-60.5-43.3174.1-179.164.2000110.7L597 P625 P627 M630 Y660 L682 L686 L690 A691 I692 S698L597-L694 HydrophobicContact CD1-CD1 4.14Å; P625-L694 HydrophobicContact CB-CD1 4.38Å; P625-L694 HydrophobicContact CB-CD2 3.73Å; P625-L694 HydrophobicContact CG-CD2 3.7Å; P627-L694 HydrophobicContact CG-CB 4Å; M630-L694 HydrophobicContact CB-CD1 4.29Å; Y660-L694 HydrophobicContact CD1-CD2 4.1Å; Y660-L694 HydrophobicContact CD2-CD1 4.11Å; Y660-L694 HydrophobicContact CD2-CD2 4.29Å; Y660-L694 HydrophobicContact CD2-CG 4.22Å; Y660-L694 HydrophobicContact CE2-CD1 4.36Å; Y660-L694 HydrophobicContact CG-CD2 3.96Å; Y660-L694 HydrophobicContact CG-CG 4.22Å; L682-L694 HydrophobicContact CD1-CD2 4.47Å; L686-L694 HydrophobicContact CD2-CD2 4.13Å; L690-L694 WeakPolarHBondContact O-CB 3.23Å; L690-L694 PolarHBondContact O-N 3.2Å; A691-L694 WeakPolarHBondContact O-CB 3.37Å; A691-L694 PolarHBondContact O-N 3.39Å; I692-L694 VanDerWaalsContact C-N 3.28Å; I692-L694 PolarHBondContact O-N 3.46Å; L694-S698 VanDerWaalsContact O-CB 3.28Å; L694-S698 WeakPolarHBondContact O-CB 3.29Å; L694-S698 PolarHBondContact O-N 2.84Å; L694-S698 PolarHBondContact O-OG 3.25Å
695Q92.5Very high88.5Confident8 Ų88.3 Ų8.34%0.0375%0.05CC..Hα-helixtrans-62.6-49.2174.7-68.8-175.9-1500111.6Y660 L661 L678 L682 A691 I692 Q693 E697 S698 I699 L759Y660-Q695 WeakPolarHBondContact O-CG 3.38Å; L661-Q695 HydrophobicContact CD2-CB 3.8Å; L661-Q695 HydrophobicContact CD2-CG 4.05Å; L678-Q695 PolarHBondContact O-NE2 3.06Å; L682-Q695 HydrophobicContact CD1-CG 4.34Å; A691-Q695 PolarHBondContact O-N 2.74Å; I692-Q695 WeakPolarHBondContact O-CB 3.5Å; I692-Q695 PolarHBondContact O-N 2.91Å; I692-Q695 VanDerWaalsContact O-N 3.14Å; Q693-Q695 VanDerWaalsContact C-N 3.31Å; Q693-Q695 PolarHBondContact O-N 3.15Å; Q695-E697 VanDerWaalsContact C-N 3.32Å; Q695-E697 PolarHBondContact O-N 2.82Å; Q695-S698 WeakPolarHBondContact O-CB 3.44Å; Q695-S698 PolarHBondContact O-N 2.76Å; Q695-I699 VanDerWaalsContact O-CG1 3.3Å; Q695-I699 WeakPolarHBondContact O-CG1 3.48Å; Q695-I699 PolarHBondContact O-N 3.02Å; Q695-L759 HydrophobicContact CB-CD1 3.89Å
696I89.9Confident88.6Confident11 Ų117.7 Ų7.76%0.0564%0.041CC..Hα-helixtrans-54.1-50.1177.6-70166.6000110.6I692 Q693 S698 I699 R700 P758 L759I692-I696 HydrophobicContact CG2-CD1 3.97Å; I692-I696 HydrophobicContact CG2-CG1 4.42Å; I692-I696 WeakPolarHBondContact O-CG1 3.46Å; I692-I696 PolarHBondContact O-N 3.49Å; Q693-I696 PolarHBondContact O-N 3.5Å; I696-S698 VanDerWaalsContact C-N 3.33Å; I696-S698 PolarHBondContact O-N 2.87Å; I696-I699 PolarHBondContact O-N 3.2Å; I696-R700 VanDerWaalsContact O-CG 3.28Å; I696-R700 WeakPolarHBondContact O-CG 3.38Å; I696-R700 PolarHBondContact O-N 3.44Å; I696-P758 HydrophobicContact CD1-CB 4.06Å; I696-P758 HydrophobicContact CD1-CG 4.03Å; I696-L759 HydrophobicContact CD1-CB 4.33Å; I696-L759 HydrophobicContact CG1-CB 4.1Å; I696-L759 HydrophobicContact CG1-CD1 3.82Å
697E90.3Very high88.2Confident7 Ų78.7 Ų8.73%0.0335%0.047CC..Hα-helixtrans-71.2-30.1-177.3-156.763.1-160.700112.6M630 R631 R634 Q693 Q695 R700 C701M630-E697 HydrophobicContact CB-CB 4.24Å; M630-E697 HydrophobicContact CB-CG 4.06Å; M630-E697 HydrophobicContact CG-CB 4.1Å; M630-E697 HydrophobicContact CG-CG 4.03Å; R631-E697 VanDerWaalsContact CA-OE1 3.24Å; R631-E697 WeakPolarHBondContact CA-OE1 3.3Å; R631-E697 HydrophobicContact CB-CG 3.74Å; R631-E697 WeakPolarHBondContact CB-OE1 3.37Å; R631-E697 WeakPolarHBondContact CG-OE1 3.33Å; R634-E697 IonicContact CZ-OE1 3.07Å; R634-E697 VanDerWaalsContact CZ-OE1 3.25Å; R634-E697 IonicContact NE-OE1 2.85Å; R634-E697 PolarHBondContact NE-OE1 2.7Å; R634-E697 IonicContact NH2-OE1 2.74Å; R634-E697 PolarHBondContact NH2-OE1 3.4Å; Q693-E697 WeakPolarHBondContact O-CB 3.44Å; Q693-E697 PolarHBondContact O-N 3.27Å; Q695-E697 VanDerWaalsContact C-N 3.32Å; Q695-E697 PolarHBondContact O-N 2.82Å; E697-R700 PolarHBondContact O-N 3.45Å; E697-R700 VanDerWaalsContact OE2-CD 3.27Å; E697-R700 WeakPolarHBondContact OE2-CD 3.36Å; E697-R700 IonicContact OE2-CZ 3.88Å; E697-R700 IonicContact OE2-NE 3.23Å; E697-R700 IonicContact OE2-NH1 2.81Å; E697-R700 PolarHBondContact OE2-NH1 3.02Å; E697-C701 VanDerWaalsContact O-CB 3.29Å; E697-C701 WeakPolarHBondContact O-CB 3.32Å; E697-C701 PolarHBondContact O-N 2.87Å
698S94.4Very high87.4Confident0 Ų012.5 Ų12.50%07%0.067CC..Hα-helixtrans-66.1-43.9171.7-58.60000111.5L694 Q695 I696 R700 C701 L702L694-S698 VanDerWaalsContact O-CB 3.28Å; L694-S698 WeakPolarHBondContact O-CB 3.29Å; L694-S698 PolarHBondContact O-N 2.84Å; L694-S698 PolarHBondContact O-OG 3.25Å; Q695-S698 WeakPolarHBondContact O-CB 3.44Å; Q695-S698 PolarHBondContact O-N 2.76Å; I696-S698 VanDerWaalsContact C-N 3.33Å; I696-S698 PolarHBondContact O-N 2.87Å; S698-R700 VanDerWaalsContact C-N 3.32Å; S698-R700 PolarHBondContact O-N 3.24Å; S698-C701 PolarHBondContact O-N 3.26Å; S698-L702 WeakPolarHBondContact O-CG 2.93Å; S698-L702 PolarHBondContact O-N 3.08Å
699I93.2Very high87.2Confident0 Ų014 Ų140%07%0.071CC..Hα-helixtrans-61.8-43.1176.1-64.6160.9000110.2W483 L661 Q695 I696 C701 L702 N703 L759 S762 W763 F766W483-I699 HydrophobicContact CH2-CG2 4.09Å; L661-I699 HydrophobicContact CD1-CG1 3.85Å; L661-I699 HydrophobicContact CD2-CD1 4.03Å; L661-I699 HydrophobicContact CD2-CG1 3.62Å; L661-I699 HydrophobicContact CG-CG1 4.41Å; Q695-I699 VanDerWaalsContact O-CG1 3.3Å; Q695-I699 WeakPolarHBondContact O-CG1 3.48Å; Q695-I699 PolarHBondContact O-N 3.02Å; I696-I699 PolarHBondContact O-N 3.2Å; I699-C701 VanDerWaalsContact C-N 3.34Å; I699-C701 PolarHBondContact O-N 3.34Å; I699-L702 PolarHBondContact O-N 3.07Å; I699-N703 WeakPolarHBondContact O-CB 3.43Å; I699-N703 PolarHBondContact O-N 3.49Å; I699-L759 HydrophobicContact CD1-CD1 3.88Å; I699-S762 WeakPolarHBondContact CG2-O 3.23Å; I699-W763 HydrophobicContact CD1-CD2 3.62Å; I699-W763 HydrophobicContact CD1-CE3 4.12Å; I699-W763 HydrophobicContact CD1-CG 4.02Å; I699-W763 HydrophobicContact CD1-CH2 4.25Å; I699-W763 HydrophobicContact CD1-CZ2 3.76Å; I699-W763 HydrophobicContact CD1-CZ3 4.4Å; I699-W763 HydrophobicContact CG1-CD2 4.34Å; I699-W763 HydrophobicContact CG1-CE3 4.35Å; I699-W763 HydrophobicContact CG1-CH2 4.2Å; I699-W763 HydrophobicContact CG1-CZ2 4.17Å; I699-W763 HydrophobicContact CG1-CZ3 4.27Å; I699-F766 HydrophobicContact CG2-CB 3.41Å; I699-F766 VanDerWaalsContact CG2-CB 3.41Å; I699-F766 HydrophobicContact CG2-CD1 4.22Å; I699-F766 HydrophobicContact CG2-CD2 4.24Å; I699-F766 HydrophobicContact CG2-CG 3.7Å
700R89Confident87Confident8 Ų818 Ų183%0.039%0.094CC..Hα-helixtrans-62.7-41.2176.1-69165.5171.3-167.86.4112.3N478 E482 W483 R634 I696 E697 S698 L702 N703 S704N478-R700 PolarHBondContact ND2-NH1 2.85Å; E482-R700 VanDerWaalsContact OE2-CD 3.22Å; E482-R700 WeakPolarHBondContact OE2-CD 3.22Å; E482-R700 IonicContact OE2-CZ 3.69Å; E482-R700 VanDerWaalsContact OE2-CZ 3.23Å; E482-R700 IonicContact OE2-NE 3.15Å; E482-R700 PolarHBondContact OE2-NE 3.49Å; E482-R700 IonicContact OE2-NH1 2.99Å; E482-R700 PolarHBondContact OE2-NH1 3.01Å; W483-R700 HydrophobicContact CH2-CB 4.34Å; W483-R700 HydrophobicContact CH2-CG 3.31Å; W483-R700 HydrophobicContact CZ2-CG 3.18Å; W483-R700 VanDerWaalsContact CZ2-NE 3.33Å; W483-R700 HydrophobicContact CZ3-CG 4.32Å; R634-R700 VanDerWaalsContact CD-CB 3.45Å; I696-R700 VanDerWaalsContact O-CG 3.28Å; I696-R700 WeakPolarHBondContact O-CG 3.38Å; I696-R700 PolarHBondContact O-N 3.44Å; E697-R700 PolarHBondContact O-N 3.45Å; E697-R700 VanDerWaalsContact OE2-CD 3.27Å; E697-R700 WeakPolarHBondContact OE2-CD 3.36Å; E697-R700 IonicContact OE2-CZ 3.88Å; E697-R700 IonicContact OE2-NE 3.23Å; E697-R700 IonicContact OE2-NH1 2.81Å; E697-R700 PolarHBondContact OE2-NH1 3.02Å; S698-R700 VanDerWaalsContact C-N 3.32Å; S698-R700 PolarHBondContact O-N 3.24Å; R700-L702 VanDerWaalsContact C-N 3.31Å; R700-L702 PolarHBondContact O-N 3.29Å; R700-N703 PolarHBondContact O-N 3.01Å; R700-S704 PolarHBondContact O-N 2.81Å
701C90.4Very high87Confident0 Ų019.3 Ų19.30%010%0.104CC..Hα-helixtrans-65.8-35.3177.3-1640000112M630 R634 E697 S698 I699 S704 C705M630-C701 HydrophobicContact CG-CB 4.26Å; M630-C701 HydrophobicContact SD-CB 3.87Å; R634-C701 HydrophobicContact CB-CB 3.94Å; R634-C701 HydrophobicContact CG-CB 4.4Å; E697-C701 VanDerWaalsContact O-CB 3.29Å; E697-C701 WeakPolarHBondContact O-CB 3.32Å; E697-C701 PolarHBondContact O-N 2.87Å; S698-C701 PolarHBondContact O-N 3.26Å; I699-C701 VanDerWaalsContact C-N 3.34Å; I699-C701 PolarHBondContact O-N 3.34Å; C701-S704 PolarHBondContact O-OG 3.4Å; C701-C705 PolarHBondContact O-SG 3.33Å
702L92.4Very high87Confident1 Ų119.7 Ų19.71%0.00511%0.107CC..Hα-helixtrans-67.6-42.6170.3-68.2178.7000111.7I654 C657 L658 L661 S698 I699 R700 S704 C705 F706 L719 F766I654-L702 HydrophobicContact CD1-CD2 3.61Å; I654-L702 HydrophobicContact CG2-CD2 4.25Å; C657-L702 HydrophobicContact CB-CD1 3.97Å; C657-L702 HydrophobicContact CB-CD2 3.61Å; C657-L702 HydrophobicContact CB-CG 3.64Å; L658-L702 HydrophobicContact CD2-CD1 4.31Å; L661-L702 HydrophobicContact CD1-CD1 3.63Å; S698-L702 WeakPolarHBondContact O-CG 2.93Å; S698-L702 PolarHBondContact O-N 3.08Å; I699-L702 PolarHBondContact O-N 3.07Å; R700-L702 VanDerWaalsContact C-N 3.31Å; R700-L702 PolarHBondContact O-N 3.29Å; L702-S704 VanDerWaalsContact C-N 3.31Å; L702-S704 PolarHBondContact O-N 2.91Å; L702-C705 VanDerWaalsContact O-CB 3.26Å; L702-C705 WeakPolarHBondContact O-CB 3.21Å; L702-C705 PolarHBondContact O-N 3.42Å; L702-C705 VanDerWaalsContact O-N 3.13Å; L702-F706 WeakPolarHBondContact O-CD1 3.49Å; L702-F706 WeakPolarHBondContact O-CE1 3.43Å; L702-L719 HydrophobicContact CD1-CD2 4.22Å; L702-L719 HydrophobicContact CD2-CD2 4.16Å; L702-F766 HydrophobicContact CB-CD2 4.14Å; L702-F766 HydrophobicContact CB-CE2 3.43Å; L702-F766 VanDerWaalsContact CB-CE2 3.43Å; L702-F766 HydrophobicContact CB-CZ 4Å; L702-F766 HydrophobicContact CD1-CE2 4.29Å; L702-F766 HydrophobicContact CD1-CZ 3.99Å
703N89.2Confident87.1Confident1 Ų127.6 Ų27.61%0.00514%0.138CC..Hα-helixtrans-59.6-40.6178.6-162.355.5000112.1E486 I699 R700 C705 F706 V707 H765 F766 N769E486-N703 PolarHBondContact OE2-ND2 3.02Å; E486-N703 VanDerWaalsContact OE2-ND2 3.15Å; I699-N703 WeakPolarHBondContact O-CB 3.43Å; I699-N703 PolarHBondContact O-N 3.49Å; R700-N703 PolarHBondContact O-N 3.01Å; N703-C705 PolarHBondContact O-N 3.04Å; N703-F706 HydrophobicContact CB-CZ 4.48Å; N703-F706 PolarHBondContact O-N 3.22Å; N703-F706 VanDerWaalsContact OD1-CE2 3.3Å; N703-F706 WeakPolarHBondContact OD1-CE2 3.4Å; N703-V707 WeakPolarHBondContact O-CG2 3.24Å; N703-V707 PolarHBondContact O-N 2.85Å; N703-H765 PolarHBondContact ND2-CD2 2.75Å; N703-F766 HydrophobicContact CB-CD2 4.16Å; N703-N769 PolarHBondContact OD1-ND2 3.23Å
704S86.2Confident87.2Confident2 Ų229.7 Ų29.71%0.01415%0.147CC..THydrogen-bonded Turntrans-64.7-12.8178.764.80000114.3T637 R700 C701 L702 F706T637-S704 PolarHBondContact OG1-OG 3.36Å; R700-S704 PolarHBondContact O-N 2.81Å; C701-S704 PolarHBondContact O-OG 3.4Å; L702-S704 VanDerWaalsContact C-N 3.31Å; L702-S704 PolarHBondContact O-N 2.91Å; S704-F706 VanDerWaalsContact C-N 3.33Å; S704-F706 PolarHBondContact O-N 3.29Å
705C86.6Confident87.1Confident1 Ų129.8 Ų29.81%0.00715%0.148CC..THydrogen-bonded Turntrans-75.3-17.1178.9-64.70000114L644 C701 L702 N703 P712L644-C705 HydrophobicContact CD1-CB 4.21Å; C701-C705 PolarHBondContact O-SG 3.33Å; L702-C705 VanDerWaalsContact O-CB 3.26Å; L702-C705 WeakPolarHBondContact O-CB 3.21Å; L702-C705 PolarHBondContact O-N 3.42Å; L702-C705 VanDerWaalsContact O-N 3.13Å; N703-C705 PolarHBondContact O-N 3.04Å; C705-P712 WeakPolarHBondContact O-CD 3.38Å
706F83.4Confident87Confident18 Ų1830.7 Ų30.78%0.07915%0.153CC..THydrogen-bonded Turntrans-137.1-8.7-174.247.2-104.9000115.3L702 N703 S704 N708 P711 L719 F766 N769 L770 C773L702-F706 WeakPolarHBondContact O-CD1 3.49Å; L702-F706 WeakPolarHBondContact O-CE1 3.43Å; N703-F706 HydrophobicContact CB-CZ 4.48Å; N703-F706 PolarHBondContact O-N 3.22Å; N703-F706 VanDerWaalsContact OD1-CE2 3.3Å; N703-F706 WeakPolarHBondContact OD1-CE2 3.4Å; S704-F706 VanDerWaalsContact C-N 3.33Å; S704-F706 PolarHBondContact O-N 3.29Å; F706-N708 PolarHBondContact O-N 3.38Å; F706-P711 HydrophobicContact CB-CB 3.94Å; F706-L719 HydrophobicContact CD1-CD1 4.41Å; F706-L719 HydrophobicContact CE1-CD1 4.12Å; F706-F766 HydrophobicContact CE1-CD2 4.29Å; F706-F766 AromaticContact CE1-CE2 3.7Å; F706-F766 HydrophobicContact CE1-CE2 3.7Å; F706-F766 AromaticContact CZ-CD2 3.61Å; F706-F766 HydrophobicContact CZ-CD2 3.61Å; F706-F766 AromaticContact CZ-CE2 3.47Å; F706-F766 HydrophobicContact CZ-CE2 3.47Å; F706-F766 VanDerWaalsContact CZ-CE2 3.47Å; F706-N769 HydrophobicContact CD2-CB 4.04Å; F706-N769 HydrophobicContact CE2-CB 3.45Å; F706-N769 VanDerWaalsContact CE2-CB 3.45Å; F706-N769 HydrophobicContact CZ-CB 4.47Å; F706-L770 HydrophobicContact CE1-CB 4.48Å; F706-L770 HydrophobicContact CE1-CD1 4.19Å; F706-L770 HydrophobicContact CZ-CB 4.04Å; F706-C773 HydrophobicContact CB-CB 4.08Å; F706-C773 HydrophobicContact CD2-CB 4.41Å; F706-C773 HydrophobicContact CG-CB 4.22Å
707V76.3Confident87Confident22 Ų2231.6 Ų31.613%0.13316%0.161CC..THydrogen-bonded Turntrans-73127.8177.3174.20000110.9E486 N703 R709 N769E486-V707 HydrophobicContact CG-CG1 4.28Å; N703-V707 WeakPolarHBondContact O-CG2 3.24Å; N703-V707 PolarHBondContact O-N 2.85Å; V707-R709 WeakPolarHBondContact O-CG 3.33Å; V707-R709 PolarHBondContact O-N 2.94Å; V707-R709 PolarHBondContact O-NE 3.22Å; V707-N769 HydrophobicContact CG2-CB 4.48Å
708N68.2Low87Confident90 Ų9033.1 Ų33.148%0.48117%0.169SC..THydrogen-bonded Turntrans58.522.6174.2-60.8-27.3000115.7Y489 F706Y489-N708 PolarHBondContact O-ND2 2.85Å; F706-N708 PolarHBondContact O-N 3.38Å
709R78.9Confident86.9Confident56 Ų5633.2 Ų33.221%0.21117%0.169CC..SBendtrans-156.7167.9-178.166.1-169.768-1559.7112.3T637 Q638 D641 V707 P711T637-R709 PolarHBondContact O-NH1 3.39Å; Q638-R709 PolarHBondContact O-NH2 3.35Å; Q638-R709 VanDerWaalsContact O-NH2 3.13Å; D641-R709 WeakPolarHBondContact OD1-CD 3.41Å; D641-R709 IonicContact OD1-CZ 3.49Å; D641-R709 IonicContact OD1-NE 3.63Å; D641-R709 IonicContact OD1-NH1 2.82Å; D641-R709 PolarHBondContact OD1-NH1 3.13Å; V707-R709 WeakPolarHBondContact O-CG 3.33Å; V707-R709 PolarHBondContact O-N 2.94Å; V707-R709 PolarHBondContact O-NE 3.22Å; R709-P711 WeakPolarHBondContact O-CD 3.46Å
710T81.5Confident86.8Confident115 Ų11535.7 Ų35.771%0.70618%0.181SC*.PPolyproline II helixtrans-74.2120.9173.752.30000110.7
711P86.7Confident86.8Confident49 Ų4940.9 Ų40.932%0.31821%0.209SC..PPolyproline II helixtrans-73.8144.2-175.131.1-37.8000112.4F706 R709 Y713 V716F706-P711 HydrophobicContact CB-CB 3.94Å; R709-P711 WeakPolarHBondContact O-CD 3.46Å; P711-Y713 PolarHBondContact O-N 3.43Å; P711-V716 HydrophobicContact CB-CG2 3.77Å; P711-V716 HydrophobicContact CG-CG2 3.75Å
712P89.7Confident86.8Confident8 Ų842.6 Ų42.65%0.05222%0.218CC..PPolyproline II helixtrans-59.6130.7172.8-25.535.1000112.3L644 L645 V648 C705 K714 A715 V716L644-P712 HydrophobicContact CD1-CG 4.43Å; L644-P712 HydrophobicContact CD2-CG 3.91Å; L644-P712 HydrophobicContact CG-CG 3.87Å; L645-P712 HydrophobicContact CD2-CB 3.94Å; L645-P712 HydrophobicContact CD2-CG 4.08Å; V648-P712 HydrophobicContact CG1-CB 4.21Å; V648-P712 HydrophobicContact CG2-CB 4.49Å; V648-P712 HydrophobicContact CG2-CG 4.25Å; C705-P712 WeakPolarHBondContact O-CD 3.38Å; P712-K714 VanDerWaalsContact C-N 3.3Å; P712-K714 PolarHBondContact O-N 2.93Å; P712-A715 HydrophobicContact CB-CB 4.11Å; P712-A715 WeakPolarHBondContact O-CA 3.23Å; P712-A715 WeakPolarHBondContact O-CB 3.18Å; P712-A715 PolarHBondContact O-N 2.82Å; P712-V716 PolarHBondContact O-N 3.32Å; P712-V716 VanDerWaalsContact O-N 3.09Å
713Y89.2Confident86.7Confident169 Ų16943 Ų4366%0.66322%0.221SC*.Hα-helixtrans-54.3-42.7-178.3-179.8-101.5000113.4P711 A715 V716 C717P711-Y713 PolarHBondContact O-N 3.43Å; Y713-A715 VanDerWaalsContact C-N 3.3Å; Y713-A715 PolarHBondContact O-N 3.3Å; Y713-V716 PolarHBondContact O-N 3.02Å; Y713-C717 WeakPolarHBondContact CE1-SG 3.44Å; Y713-C717 PolarHBondContact O-N 3.27Å; Y713-C717 PolarHBondContact O-SG 3.4Å
714K90.5Very high86.7Confident58 Ų5846.8 Ų46.825%0.25225%0.247SC..Hα-helixtrans-60.2-39.8176.4-174.3-175.2174.2-1540111.7V648 E655 P712 C717 L718V648-K714 HydrophobicContact CG1-CB 4.03Å; V648-K714 HydrophobicContact CG1-CD 4.17Å; V648-K714 HydrophobicContact CG1-CG 4.31Å; V648-K714 PolarHBondContact O-NZ 3.37Å; E655-K714 WeakPolarHBondContact OE1-CE 3.22Å; E655-K714 IonicContact OE1-NZ 3.73Å; E655-K714 PolarHBondContact OE1-NZ 3.11Å; E655-K714 IonicContact OE2-NZ 2.86Å; P712-K714 VanDerWaalsContact C-N 3.3Å; P712-K714 PolarHBondContact O-N 2.93Å; K714-C717 PolarHBondContact O-N 2.99Å; K714-L718 HydrophobicContact CG-CD1 4.1Å; K714-L718 HydrophobicContact CG-CG 4.5Å; K714-L718 WeakPolarHBondContact O-CB 3.22Å; K714-L718 VanDerWaalsContact O-CG 3.31Å; K714-L718 WeakPolarHBondContact O-CG 3.19Å; K714-L718 PolarHBondContact O-N 3.1Å
715A91.3Very high86.8Confident2 Ų248.7 Ų48.72%0.01726%0.257CS..Hα-helixtrans-66.4-45.5178.300000111.4V648 I654 P712 Y713 C717 L718 L719V648-A715 HydrophobicContact CG1-CB 4.15Å; V648-A715 HydrophobicContact CG2-CB 4.46Å; I654-A715 HydrophobicContact CD1-CB 3.82Å; I654-A715 HydrophobicContact CG1-CB 3.85Å; P712-A715 HydrophobicContact CB-CB 4.11Å; P712-A715 WeakPolarHBondContact O-CA 3.23Å; P712-A715 WeakPolarHBondContact O-CB 3.18Å; P712-A715 PolarHBondContact O-N 2.82Å; Y713-A715 VanDerWaalsContact C-N 3.3Å; Y713-A715 PolarHBondContact O-N 3.3Å; A715-C717 PolarHBondContact O-N 2.88Å; A715-L718 PolarHBondContact O-N 3.36Å; A715-L719 WeakPolarHBondContact O-CB 3.43Å; A715-L719 VanDerWaalsContact O-CG 3.28Å; A715-L719 WeakPolarHBondContact O-CG 3.48Å; A715-L719 PolarHBondContact O-N 2.94Å
716V90.1Very high87.1Confident26 Ų2648.7 Ų48.716%0.15826%0.257CS..Hα-helixtrans-56.8-49.7175.3178.90000110.6P711 P712 Y713 L718 L719 Q720 L774P711-V716 HydrophobicContact CB-CG2 3.77Å; P711-V716 HydrophobicContact CG-CG2 3.75Å; P712-V716 PolarHBondContact O-N 3.32Å; P712-V716 VanDerWaalsContact O-N 3.09Å; Y713-V716 PolarHBondContact O-N 3.02Å; V716-L718 PolarHBondContact O-N 3.44Å; V716-L719 PolarHBondContact O-N 2.86Å; V716-Q720 WeakPolarHBondContact O-CB 3.46Å; V716-Q720 PolarHBondContact O-N 3.33Å; V716-L774 HydrophobicContact CG1-CD2 3.9Å
717C89.5Confident87.6Confident31 Ų3148.5 Ų48.521%0.20926%0.256CS..Hα-helixtrans-59.8-45.5179.3-67.20000112.5Y713 K714 A715 N721Y713-C717 WeakPolarHBondContact CE1-SG 3.44Å; Y713-C717 PolarHBondContact O-N 3.27Å; Y713-C717 PolarHBondContact O-SG 3.4Å; K714-C717 PolarHBondContact O-N 2.99Å; A715-C717 PolarHBondContact O-N 2.88Å; C717-N721 WeakPolarHBondContact O-CB 3.41Å; C717-N721 PolarHBondContact O-N 3.21Å; C717-N721 PolarHBondContact O-ND2 2.89Å
718L90.8Very high88.2Confident38 Ų3851.1 Ų51.120%0.19927%0.267CS..Hα-helixtrans-68.2-40.2-178.9-73.3176.2000112.5I654 E655 K714 A715 V716 N721 N722I654-L718 HydrophobicContact CB-CD1 3.99Å; I654-L718 HydrophobicContact CG2-CB 3.81Å; I654-L718 HydrophobicContact CG2-CD1 4.02Å; E655-L718 HydrophobicContact CG-CD1 4.09Å; K714-L718 HydrophobicContact CG-CD1 4.1Å; K714-L718 HydrophobicContact CG-CG 4.5Å; K714-L718 WeakPolarHBondContact O-CB 3.22Å; K714-L718 VanDerWaalsContact O-CG 3.31Å; K714-L718 WeakPolarHBondContact O-CG 3.19Å; K714-L718 PolarHBondContact O-N 3.1Å; A715-L718 PolarHBondContact O-N 3.36Å; V716-L718 PolarHBondContact O-N 3.44Å; L718-N721 PolarHBondContact O-N 3.41Å; L718-N722 PolarHBondContact O-N 3.43Å; L718-N722 PolarHBondContact O-ND2 3.29Å
719L92.2Very high89.3Confident3 Ų347.6 Ų47.62%0.01625%0.249CC..Hα-helixtrans-69.3-40177.4-68.5172.4000111.5I654 L658 L702 F706 A715 V716 N722 L723 I726 F766 L770I654-L719 HydrophobicContact CG2-CD2 4.26Å; I654-L719 HydrophobicContact CG2-CG 4.35Å; L658-L719 HydrophobicContact CD2-CD2 4.27Å; L702-L719 HydrophobicContact CD1-CD2 4.22Å; L702-L719 HydrophobicContact CD2-CD2 4.16Å; F706-L719 HydrophobicContact CD1-CD1 4.41Å; F706-L719 HydrophobicContact CE1-CD1 4.12Å; A715-L719 WeakPolarHBondContact O-CB 3.43Å; A715-L719 VanDerWaalsContact O-CG 3.28Å; A715-L719 WeakPolarHBondContact O-CG 3.48Å; A715-L719 PolarHBondContact O-N 2.94Å; V716-L719 PolarHBondContact O-N 2.86Å; L719-N722 CarbonylContact O-C 3.53Å; L719-N722 PolarHBondContact O-N 3.46Å; L719-L723 WeakPolarHBondContact O-CA 3.43Å; L719-L723 PolarHBondContact O-N 2.82Å; L719-I726 HydrophobicContact CD2-CD1 3.81Å; L719-F766 HydrophobicContact CD2-CZ 4.38Å; L719-L770 HydrophobicContact CB-CD1 4.07Å; L719-L770 HydrophobicContact CD1-CD1 3.88Å
720Q90.2Very high90Very high51 Ų5145 Ų4524%0.23824%0.239CC..Hα-helixtrans-61.1-44.1174.3179.8-179.2-26.700111.8V716 N722 L723 L774 I785V716-Q720 WeakPolarHBondContact O-CB 3.46Å; V716-Q720 PolarHBondContact O-N 3.33Å; Q720-N722 VanDerWaalsContact C-N 3.28Å; Q720-N722 PolarHBondContact O-N 3.41Å; Q720-L723 WeakPolarHBondContact O-CB 3.48Å; Q720-L723 PolarHBondContact O-N 3.31Å; Q720-L774 HydrophobicContact CB-CD2 4.18Å; Q720-I785 HydrophobicContact CG-CD1 3.88Å
721N89.5Confident90.5Very high118 Ų11842.2 Ų42.263%0.63122%0.219SC*.Hα-helixtrans-67.3-27.3179.4-71.4-17000113.5C717 L718C717-N721 WeakPolarHBondContact O-CB 3.41Å; C717-N721 PolarHBondContact O-N 3.21Å; C717-N721 PolarHBondContact O-ND2 2.89Å; L718-N721 PolarHBondContact O-N 3.41Å
722N90.3Very high90.7Very high35 Ų3541.4 Ų41.419%0.18721%0.212CC..THydrogen-bonded Turntrans-105.914.2179.3-63.3-78.5000112.7L658 L718 L719 Q720 S724 D725 I726L658-N722 HydrophobicContact CD1-CB 4.13Å; L718-N722 PolarHBondContact O-N 3.43Å; L718-N722 PolarHBondContact O-ND2 3.29Å; L719-N722 CarbonylContact O-C 3.53Å; L719-N722 PolarHBondContact O-N 3.46Å; Q720-N722 VanDerWaalsContact C-N 3.28Å; Q720-N722 PolarHBondContact O-N 3.41Å; N722-S724 VanDerWaalsContact C-N 3.26Å; N722-S724 PolarHBondContact O-N 3.45Å; N722-D725 PolarHBondContact O-N 2.99Å; N722-I726 HydrophobicContact CB-CD1 4.29Å; N722-I726 HydrophobicContact CB-CG1 4.43Å; N722-I726 VanDerWaalsContact O-CG1 3.23Å; N722-I726 WeakPolarHBondContact O-CG1 3.4Å; N722-I726 PolarHBondContact O-N 3.31Å
723L91.3Very high90.8Very high11 Ų1141.1 Ų41.16%0.05821%0.209CC..Hα-helixtrans-58.8-37-173.2-174.964.8000112.7L719 Q720 F727 L770 L774 I789 I792L719-L723 WeakPolarHBondContact O-CA 3.43Å; L719-L723 PolarHBondContact O-N 2.82Å; Q720-L723 WeakPolarHBondContact O-CB 3.48Å; Q720-L723 PolarHBondContact O-N 3.31Å; L723-F727 WeakPolarHBondContact O-CB 3.45Å; L723-F727 PolarHBondContact O-N 3.29Å; L723-L770 HydrophobicContact CD1-CD2 3.94Å; L723-L774 HydrophobicContact CD1-CD1 4.21Å; L723-L774 HydrophobicContact CD2-CD1 4.24Å; L723-I789 HydrophobicContact CD2-CG1 4.36Å; L723-I792 HydrophobicContact CD1-CD1 3.72Å; L723-I792 HydrophobicContact CD2-CD1 3.91Å; L723-I792 HydrophobicContact CG-CD1 3.69Å
724S88.4Confident91Very high80 Ų8034 Ų3456%0.55918%0.181SC*.Hα-helixtrans-62.3-45.1175.4540000112.4N722 F727 H728N722-S724 VanDerWaalsContact C-N 3.26Å; N722-S724 PolarHBondContact O-N 3.45Å; S724-F727 PolarHBondContact O-N 3.33Å; S724-H728 WeakPolarHBondContact O-CB 3.37Å; S724-H728 PolarHBondContact O-N 2.91Å
725D88.8Confident91Very high41 Ų4133.4 Ų33.422%0.21918%0.18CC..Hα-helixtrans-72.1-41-175.3-62.2-1000109.9C662 K664 N722 H728 S729C662-D725 HydrophobicContact CB-CB 4.13Å; K664-D725 WeakPolarHBondContact CE-OD2 3.22Å; N722-D725 PolarHBondContact O-N 2.99Å; D725-H728 PolarHBondContact O-N 3Å; D725-S729 PolarHBondContact O-N 3.4Å; D725-S729 PolarHBondContact O-OG 2.87Å
726I92.8Very high90.9Very high2 Ų233.3 Ų33.31%0.0118%0.18CC..Hα-helixtrans-57.1-51.2173.4-69.1169000110.4L658 L719 N722 H728 S729 A730 W763 F766 L767L658-I726 HydrophobicContact CD2-CD1 3.81Å; L658-I726 HydrophobicContact CD2-CG1 3.78Å; L719-I726 HydrophobicContact CD2-CD1 3.81Å; N722-I726 HydrophobicContact CB-CD1 4.29Å; N722-I726 HydrophobicContact CB-CG1 4.43Å; N722-I726 VanDerWaalsContact O-CG1 3.23Å; N722-I726 WeakPolarHBondContact O-CG1 3.4Å; N722-I726 PolarHBondContact O-N 3.31Å; I726-H728 VanDerWaalsContact C-N 3.33Å; I726-H728 PolarHBondContact O-N 3.22Å; I726-S729 PolarHBondContact O-N 2.95Å; I726-A730 PolarHBondContact O-N 3.49Å; I726-A730 VanDerWaalsContact O-N 3.09Å; I726-W763 HydrophobicContact CG2-CZ3 3.92Å; I726-F766 HydrophobicContact CG2-CE1 3.73Å; I726-L767 HydrophobicContact CG2-CD2 4.07Å
727F92.6Very high90.9Very high13 Ų1332 Ų326%0.05717%0.172CC..Hα-helixtrans-65.1-38.7179.9179.7-109.7000111.8L723 S724 S729 A730 Q731 L767 M791 I792 N795 W799L723-F727 WeakPolarHBondContact O-CB 3.45Å; L723-F727 PolarHBondContact O-N 3.29Å; S724-F727 PolarHBondContact O-N 3.33Å; F727-S729 PolarHBondContact O-N 3.22Å; F727-A730 PolarHBondContact O-N 3.33Å; F727-Q731 WeakPolarHBondContact O-CB 3.45Å; F727-Q731 PolarHBondContact O-N 3.3Å; F727-L767 HydrophobicContact CD2-CD1 4.28Å; F727-M791 HydrophobicContact CD1-CE 4.4Å; F727-M791 HydrophobicContact CE1-CE 4.37Å; F727-I792 HydrophobicContact CB-CD1 4.23Å; F727-I792 HydrophobicContact CB-CG1 4.18Å; F727-I792 HydrophobicContact CD1-CG1 4.38Å; F727-I792 HydrophobicContact CD2-CB 4.2Å; F727-I792 HydrophobicContact CD2-CD1 4.49Å; F727-I792 HydrophobicContact CD2-CG1 3.68Å; F727-I792 HydrophobicContact CD2-CG2 3.9Å; F727-I792 HydrophobicContact CE2-CB 4.34Å; F727-I792 HydrophobicContact CE2-CG1 4.15Å; F727-I792 HydrophobicContact CE2-CG2 4.15Å; F727-I792 HydrophobicContact CG-CD1 4.4Å; F727-I792 HydrophobicContact CG-CG1 3.8Å; F727-N795 HydrophobicContact CE2-CB 4.11Å; F727-N795 HydrophobicContact CZ-CB 3.73Å; F727-N795 WeakPolarHBondContact CZ-ND2 3.41Å; F727-W799 HydrophobicContact CD2-CH2 4.45Å; F727-W799 AromaticContact CE2-CH2 3.78Å; F727-W799 HydrophobicContact CE2-CH2 3.78Å; F727-W799 AromaticContact CE2-CZ2 3.99Å; F727-W799 HydrophobicContact CE2-CZ2 3.99Å; F727-W799 HydrophobicContact CZ-CH2 4.38Å; F727-W799 HydrophobicContact CZ-CZ2 4.17Å
728H90.1Very high91Very high77 Ų7732.8 Ų32.836%0.35617%0.173SC..Hα-helixtrans-60.7-44.5176.6-17366.1000112.1S724 D725 I726 A730 Q731 N732S724-H728 WeakPolarHBondContact O-CB 3.37Å; S724-H728 PolarHBondContact O-N 2.91Å; D725-H728 PolarHBondContact O-N 3Å; I726-H728 VanDerWaalsContact C-N 3.33Å; I726-H728 PolarHBondContact O-N 3.22Å; H728-A730 PolarHBondContact O-N 3.2Å; H728-Q731 PolarHBondContact O-N 2.65Å; H728-N732 PolarHBondContact CD2-ND2 3.36Å; H728-N732 PolarHBondContact NE2-ND2 2.92Å; H728-N732 VanDerWaalsContact NE2-ND2 3.18Å; H728-N732 PolarHBondContact O-N 3.48Å; H728-N732 PolarHBondContact O-ND2 2.9Å
729S90.9Very high90.9Very high17 Ų1732.8 Ų32.812%0.11918%0.176CC..Hα-helixtrans-60.8-43.3174.6-72.80000112.4L661 D725 I726 F727 N732 C733L661-S729 WeakPolarHBondContact O-CB 3.46Å; L661-S729 PolarHBondContact O-OG 3.34Å; D725-S729 PolarHBondContact O-N 3.4Å; D725-S729 PolarHBondContact O-OG 2.87Å; I726-S729 PolarHBondContact O-N 2.95Å; F727-S729 PolarHBondContact O-N 3.22Å; S729-N732 PolarHBondContact O-N 3.38Å; S729-C733 PolarHBondContact O-N 3.32Å
730A93.2Very high90.6Very high0 Ų034.6 Ų34.60%018%0.183CC..Hα-helixtrans-63.3-42.1175.800000112.2I726 F727 H728 N732 C733 W734 W763 L767 W799I726-A730 PolarHBondContact O-N 3.49Å; I726-A730 VanDerWaalsContact O-N 3.09Å; F727-A730 PolarHBondContact O-N 3.33Å; H728-A730 PolarHBondContact O-N 3.2Å; A730-N732 VanDerWaalsContact C-N 3.34Å; A730-N732 PolarHBondContact O-N 3.03Å; A730-C733 WeakPolarHBondContact O-CB 3.45Å; A730-C733 PolarHBondContact O-N 3.36Å; A730-W734 PolarHBondContact O-N 3.19Å; A730-W763 HydrophobicContact CB-CB 4.18Å; A730-W763 HydrophobicContact CB-CD2 3.67Å; A730-W763 HydrophobicContact CB-CE3 3.67Å; A730-W763 HydrophobicContact CB-CG 3.93Å; A730-W763 HydrophobicContact CB-CZ3 4.28Å; A730-L767 HydrophobicContact CB-CD1 3.75Å; A730-W799 HydrophobicContact CB-CH2 4.26Å; A730-W799 HydrophobicContact CB-CZ3 4.43Å
731Q92.2Very high90.5Very high58 Ų5833 Ų3327%0.27118%0.176SC..Hα-helixtrans-63.7-38.8178.3-172.61781400111.9F727 H728 C733 W734 I735 W799F727-Q731 WeakPolarHBondContact O-CB 3.45Å; F727-Q731 PolarHBondContact O-N 3.3Å; H728-Q731 PolarHBondContact O-N 2.65Å; Q731-C733 VanDerWaalsContact C-N 3.34Å; Q731-W734 WeakPolarHBondContact O-CB 3.38Å; Q731-W734 PolarHBondContact O-N 3.21Å; Q731-I735 HydrophobicContact CG-CD1 4.04Å; Q731-I735 VanDerWaalsContact O-CG1 3.27Å; Q731-I735 WeakPolarHBondContact O-CG1 3.47Å; Q731-I735 PolarHBondContact O-N 3.37Å; Q731-W799 HydrophobicContact CB-CH2 4.39Å; Q731-W799 HydrophobicContact CB-CZ2 4.21Å; Q731-W799 HydrophobicContact CG-CZ2 4.3Å
732N90.3Very high90.3Very high32 Ų3229.5 Ų29.517%0.17116%0.156CC..Hα-helixtrans-63.4-40.6174.1-71.2-29.3000111.6L673 L678 H728 S729 A730 I735 L736L673-N732 HydrophobicContact CD2-CB 4.05Å; L673-N732 WeakPolarHBondContact CD2-O 3.31Å; L678-N732 HydrophobicContact CD2-CB 3.91Å; H728-N732 PolarHBondContact CD2-ND2 3.36Å; H728-N732 PolarHBondContact NE2-ND2 2.92Å; H728-N732 VanDerWaalsContact NE2-ND2 3.18Å; H728-N732 PolarHBondContact O-N 3.48Å; H728-N732 PolarHBondContact O-ND2 2.9Å; S729-N732 PolarHBondContact O-N 3.38Å; A730-N732 VanDerWaalsContact C-N 3.34Å; A730-N732 PolarHBondContact O-N 3.03Å; N732-I735 PolarHBondContact O-N 2.94Å; N732-L736 PolarHBondContact O-N 2.84Å; N732-L736 VanDerWaalsContact O-N 3.09Å
733C92.2Very high89.9Confident1 Ų130.3 Ų30.31%0.00716%0.163CC..Hα-helixtrans-60.7-45.1173.5-178.70000111.6S729 A730 Q731 L736 Y737S729-C733 PolarHBondContact O-N 3.32Å; A730-C733 WeakPolarHBondContact O-CB 3.45Å; A730-C733 PolarHBondContact O-N 3.36Å; Q731-C733 VanDerWaalsContact C-N 3.34Å; C733-L736 PolarHBondContact O-N 3.29Å; C733-Y737 WeakPolarHBondContact O-CB 3.46Å; C733-Y737 PolarHBondContact O-N 2.9Å
734W94.1Very high88.4Confident20 Ų2039.3 Ų39.38%0.07620%0.204CC..Hα-helixtrans-59-50.6175.1168.3-107.8000112.7A730 Q731 L736 Y737 H738 I742 L760 W799 E802 L803A730-W734 PolarHBondContact O-N 3.19Å; Q731-W734 WeakPolarHBondContact O-CB 3.38Å; Q731-W734 PolarHBondContact O-N 3.21Å; W734-L736 VanDerWaalsContact C-N 3.26Å; W734-L736 PolarHBondContact O-N 2.72Å; W734-Y737 HydrophobicContact CZ3-CD1 4.35Å; W734-Y737 PolarHBondContact O-N 3.2Å; W734-H738 HydrophobicContact CZ2-CB 4.34Å; W734-H738 AromaticContact CZ2-CD2 3.72Å; W734-H738 VanDerWaalsContact O-CB 3.25Å; W734-H738 WeakPolarHBondContact O-CB 3.35Å; W734-H738 PolarHBondContact O-N 2.83Å; W734-I742 HydrophobicContact CH2-CD1 3.8Å; W734-I742 HydrophobicContact CZ3-CD1 4.18Å; W734-L760 HydrophobicContact CB-CD1 4.39Å; W734-L760 HydrophobicContact CE3-CD1 4.13Å; W734-L760 HydrophobicContact CE3-CD2 3.91Å; W734-L760 HydrophobicContact CZ3-CD2 4.16Å; W734-W799 HydrophobicContact CB-CD2 4.12Å; W734-W799 HydrophobicContact CB-CE3 4.34Å; W734-W799 HydrophobicContact CB-CH2 4.27Å; W734-W799 HydrophobicContact CB-CZ2 4.04Å; W734-W799 HydrophobicContact CB-CZ3 4.41Å; W734-W799 AromaticContact CD1-CD1 3.64Å; W734-W799 AromaticContact CD1-CE2 3.69Å; W734-W799 AromaticContact CD1-NE1 3.29Å; W734-W799 VanDerWaalsContact CD1-NE1 3.29Å; W734-W799 HydrophobicContact CD2-CB 4.06Å; W734-W799 AromaticContact CD2-CD1 3.63Å; W734-W799 AromaticContact CD2-CD2 3.95Å; W734-W799 HydrophobicContact CD2-CD2 3.95Å; W734-W799 AromaticContact CD2-CG 3.61Å; W734-W799 HydrophobicContact CD2-CG 3.61Å; W734-W799 AromaticContact CD2-NE1 4Å; W734-W799 AromaticContact CE2-CD1 3.31Å; W734-W799 AromaticContact CE2-CG 3.71Å; W734-W799 AromaticContact CE2-NE1 3.85Å; W734-W799 HydrophobicContact CE3-CB 3.94Å; W734-W799 HydrophobicContact CE3-CD2 4.38Å; W734-W799 AromaticContact CE3-CG 3.98Å; W734-W799 HydrophobicContact CE3-CG 3.98Å; W734-W799 AromaticContact CG-CD1 3.81Å; W734-W799 AromaticContact CG-CD2 3.82Å; W734-W799 HydrophobicContact CG-CD2 3.82Å; W734-W799 AromaticContact CG-CE2 3.64Å; W734-W799 HydrophobicContact CG-CE3 4.48Å; W734-W799 AromaticContact CG-CG 3.95Å; W734-W799 HydrophobicContact CG-CG 3.95Å; W734-W799 HydrophobicContact CG-CZ2 4.18Å; W734-W799 AromaticContact CG-NE1 3.64Å; W734-W799 HydrophobicContact CH2-CB 3.97Å; W734-W799 HydrophobicContact CH2-CG 4.43Å; W734-W799 HydrophobicContact CZ2-CB 4.08Å; W734-W799 AromaticContact CZ2-CD1 3.79Å; W734-W799 HydrophobicContact CZ2-CG 4.1Å; W734-W799 HydrophobicContact CZ3-CB 3.91Å; W734-W799 HydrophobicContact CZ3-CG 4.38Å; W734-W799 AromaticContact NE1-CD1 3.32Å; W734-W799 VanDerWaalsContact NE1-CD1 3.32Å; W734-W799 AromaticContact NE1-NE1 3.41Å; W734-E802 HydrophobicContact CH2-CB 3.97Å; W734-E802 HydrophobicContact CZ2-CB 4.22Å; W734-E802 VanDerWaalsContact CZ2-OE2 3.27Å; W734-E802 WeakPolarHBondContact CZ2-OE2 3.46Å; W734-L803 HydrophobicContact CH2-CG 4.14Å; W734-L803 HydrophobicContact CZ3-CD1 3.91Å; W734-L803 HydrophobicContact CZ3-CD2 4.08Å; W734-L803 HydrophobicContact CZ3-CG 3.76Å
735I90.3Very high86.8Confident45 Ų4544.1 Ų44.123%0.23121%0.21CC..Hα-helixtrans-57.2-43.2-179.6-69.5164.3000110.4Q731 N732 S739Q731-I735 HydrophobicContact CG-CD1 4.04Å; Q731-I735 VanDerWaalsContact O-CG1 3.27Å; Q731-I735 WeakPolarHBondContact O-CG1 3.47Å; Q731-I735 PolarHBondContact O-N 3.37Å; N732-I735 PolarHBondContact O-N 2.94Å; I735-S739 WeakPolarHBondContact O-CB 3.32Å; I735-S739 PolarHBondContact O-N 3.45Å; I735-S739 PolarHBondContact O-OG 2.86Å
736L88.7Confident85Confident0 Ų051.9 Ų51.90%025%0.245CC..Hα-helixtrans-66.1-49.9178.1-173.762.1000111.7L673 T675 L678 N732 C733 W734 H738 S739 K740 L756L673-L736 HydrophobicContact CD2-CB 3.92Å; L673-L736 HydrophobicContact CG-CB 4.47Å; L673-L736 VanDerWaalsContact O-CD1 3.22Å; L673-L736 WeakPolarHBondContact O-CD1 3.44Å; T675-L736 HydrophobicContact CG2-CD2 4.02Å; L678-L736 HydrophobicContact CD1-CD2 3.52Å; L678-L736 HydrophobicContact CG-CD2 3.96Å; N732-L736 PolarHBondContact O-N 2.84Å; N732-L736 VanDerWaalsContact O-N 3.09Å; C733-L736 PolarHBondContact O-N 3.29Å; W734-L736 VanDerWaalsContact C-N 3.26Å; W734-L736 PolarHBondContact O-N 2.72Å; L736-H738 VanDerWaalsContact C-N 3.32Å; L736-H738 PolarHBondContact O-N 3.02Å; L736-S739 PolarHBondContact O-N 3.32Å; L736-S739 VanDerWaalsContact O-N 3.16Å; L736-S739 PolarHBondContact O-OG 2.88Å; L736-K740 HydrophobicContact CD1-CG 4.31Å; L736-K740 WeakPolarHBondContact O-CG 3.16Å; L736-K740 PolarHBondContact O-N 3.47Å; L736-K740 VanDerWaalsContact O-N 3.08Å; L736-L756 HydrophobicContact CD2-CD1 3.95Å; L736-L756 HydrophobicContact CD2-CD2 3.68Å; L736-L756 HydrophobicContact CD2-CG 4.46Å; L736-L756 HydrophobicContact CG-CD1 3.89Å; L736-L756 HydrophobicContact CG-CD2 4.29Å
737Y91.7Very high83.3Confident0 Ų055.1 Ų55.10%027%0.265CS..Hα-helixtrans-56.3-48.7178.1178.5-85000111.2C733 W734 S739 K740 F741 I742 L756 L760 L803 G831 L836C733-Y737 WeakPolarHBondContact O-CB 3.46Å; C733-Y737 PolarHBondContact O-N 2.9Å; W734-Y737 HydrophobicContact CZ3-CD1 4.35Å; W734-Y737 PolarHBondContact O-N 3.2Å; Y737-S739 VanDerWaalsContact C-N 3.31Å; Y737-S739 PolarHBondContact O-N 3.22Å; Y737-K740 PolarHBondContact O-N 3.42Å; Y737-K740 VanDerWaalsContact O-N 3.15Å; Y737-F741 AromaticContact CD2-CD2 3.54Å; Y737-F741 HydrophobicContact CD2-CD2 3.54Å; Y737-F741 AromaticContact CD2-CE2 3.99Å; Y737-F741 HydrophobicContact CD2-CE2 3.99Å; Y737-F741 HydrophobicContact CE1-CB 4.26Å; Y737-F741 HydrophobicContact CE2-CB 4.47Å; Y737-F741 AromaticContact CE2-CD2 3.51Å; Y737-F741 HydrophobicContact CE2-CD2 3.51Å; Y737-F741 HydrophobicContact CE2-CE2 4.04Å; Y737-F741 HydrophobicContact CE2-CG 4.22Å; Y737-F741 HydrophobicContact CG-CD2 4.1Å; Y737-F741 PolarHBondContact O-N 2.77Å; Y737-I742 HydrophobicContact CD1-CD1 4.21Å; Y737-I742 HydrophobicContact CE1-CD1 4Å; Y737-I742 HydrophobicContact CE1-CG1 4.16Å; Y737-L756 HydrophobicContact CD2-CB 4.09Å; Y737-L760 HydrophobicContact CD1-CD2 3.5Å; Y737-L760 VanDerWaalsContact CD1-CD2 3.5Å; Y737-L760 HydrophobicContact CD2-CD2 3.82Å; Y737-L760 HydrophobicContact CE1-CD2 3.93Å; Y737-L760 HydrophobicContact CE2-CD2 4.2Å; Y737-L760 HydrophobicContact CG-CD2 3.46Å; Y737-L760 VanDerWaalsContact CG-CD2 3.46Å; Y737-L803 HydrophobicContact CD1-CD2 4.31Å; Y737-L803 HydrophobicContact CE1-CD2 3.46Å; Y737-L803 VanDerWaalsContact CE1-CD2 3.46Å; Y737-G831 WeakPolarHBondContact CE2-O 3.38Å; Y737-G831 PolarHBondContact OH-O 3.29Å; Y737-L836 HydrophobicContact CE2-CD2 4.49Å
738H91.2Very high82Confident47 Ų4759.5 Ų59.522%0.21830%0.298CS..Iπ-helixtrans-59.9-42.6178.2-176.9-79.6000111.1W734 L736 K740 I742 T743 E802W734-H738 HydrophobicContact CZ2-CB 4.34Å; W734-H738 AromaticContact CZ2-CD2 3.72Å; W734-H738 VanDerWaalsContact O-CB 3.25Å; W734-H738 WeakPolarHBondContact O-CB 3.35Å; W734-H738 PolarHBondContact O-N 2.83Å; L736-H738 VanDerWaalsContact C-N 3.32Å; L736-H738 PolarHBondContact O-N 3.02Å; H738-K740 VanDerWaalsContact C-N 3.26Å; H738-K740 PolarHBondContact O-N 2.89Å; H738-I742 HydrophobicContact CB-CD1 4.31Å; H738-I742 WeakPolarHBondContact O-CA 3.48Å; H738-I742 WeakPolarHBondContact O-CB 3.39Å; H738-I742 PolarHBondContact O-N 3.25Å; H738-I742 VanDerWaalsContact O-N 3.11Å; H738-T743 WeakPolarHBondContact CE1-CG2 3.36Å; H738-T743 PolarHBondContact O-N 3.37Å; H738-T743 PolarHBondContact O-OG1 2.94Å; H738-E802 IonicContact CD2-OE2 3.39Å; H738-E802 PolarHBondContact CD2-OE2 3.29Å; H738-E802 IonicContact NE2-OE2 3.26Å; H738-E802 PolarHBondContact NE2-OE2 2.82Å
739S87.2Confident81.2Confident38 Ų3858.8 Ų58.827%0.26630%0.296SS..Iπ-helixtrans-63.6-29.9178.177.70000114.1I735 L736 Y737 T743I735-S739 WeakPolarHBondContact O-CB 3.32Å; I735-S739 PolarHBondContact O-N 3.45Å; I735-S739 PolarHBondContact O-OG 2.86Å; L736-S739 PolarHBondContact O-N 3.32Å; L736-S739 VanDerWaalsContact O-N 3.16Å; L736-S739 PolarHBondContact O-OG 2.88Å; Y737-S739 VanDerWaalsContact C-N 3.31Å; Y737-S739 PolarHBondContact O-N 3.22Å; S739-T743 VanDerWaalsContact C-OG1 3.31Å; S739-T743 WeakPolarHBondContact CA-OG1 3.37Å; S739-T743 PolarHBondContact O-OG1 3.2Å
740K86.9Confident80.3Confident41 Ų4162.2 Ų62.218%0.17831%0.312CS..Iπ-helixtrans-92.6-43.1-173.5-73-72.5-168.9150.70113.5L736 Y737 H738 D753 L756L736-K740 HydrophobicContact CD1-CG 4.31Å; L736-K740 WeakPolarHBondContact O-CG 3.16Å; L736-K740 PolarHBondContact O-N 3.47Å; L736-K740 VanDerWaalsContact O-N 3.08Å; Y737-K740 PolarHBondContact O-N 3.42Å; Y737-K740 VanDerWaalsContact O-N 3.15Å; H738-K740 VanDerWaalsContact C-N 3.26Å; H738-K740 PolarHBondContact O-N 2.89Å; K740-D753 WeakPolarHBondContact CE-OD1 3.38Å; K740-D753 IonicContact NZ-OD1 3.93Å; K740-D753 PolarHBondContact NZ-OD1 3.01Å; K740-D753 VanDerWaalsContact NZ-OD1 3.16Å; K740-D753 IonicContact NZ-OD2 2.82Å; K740-D753 PolarHBondContact NZ-OD2 3.43Å; K740-L756 HydrophobicContact CG-CD1 4.37Å
741F87.7Confident79.4Confident18 Ų1867.4 Ų67.48%0.07934%0.336CS..Iπ-helixtrans-109.2-26.2-171-64.4-70000113.9Y737 L749 D753 L756 H806 G831Y737-F741 AromaticContact CD2-CD2 3.54Å; Y737-F741 HydrophobicContact CD2-CD2 3.54Å; Y737-F741 AromaticContact CD2-CE2 3.99Å; Y737-F741 HydrophobicContact CD2-CE2 3.99Å; Y737-F741 HydrophobicContact CE1-CB 4.26Å; Y737-F741 HydrophobicContact CE2-CB 4.47Å; Y737-F741 AromaticContact CE2-CD2 3.51Å; Y737-F741 HydrophobicContact CE2-CD2 3.51Å; Y737-F741 HydrophobicContact CE2-CE2 4.04Å; Y737-F741 HydrophobicContact CE2-CG 4.22Å; Y737-F741 HydrophobicContact CG-CD2 4.1Å; Y737-F741 PolarHBondContact O-N 2.77Å; F741-L749 HydrophobicContact CD1-CD2 4.34Å; F741-L749 HydrophobicContact CE1-CD1 4.09Å; F741-L749 HydrophobicContact CE1-CD2 3.75Å; F741-L749 HydrophobicContact CZ-CD2 4.11Å; F741-D753 HydrophobicContact CZ-CB 4.38Å; F741-L756 HydrophobicContact CE2-CB 4.25Å; F741-L756 HydrophobicContact CE2-CD1 4.25Å; F741-H806 PolarHBondContact O-CE1 3.46Å; F741-G831 VanDerWaalsContact CE1-CA 3.4Å
742I86.3Confident78.7Confident43 Ų4367 Ų6722%0.22133%0.334CS..Iπ-helixtrans-100.2-50.4-175.1-58.5176.7000111.1W734 Y737 H738 L803W734-I742 HydrophobicContact CH2-CD1 3.8Å; W734-I742 HydrophobicContact CZ3-CD1 4.18Å; Y737-I742 HydrophobicContact CD1-CD1 4.21Å; Y737-I742 HydrophobicContact CE1-CD1 4Å; Y737-I742 HydrophobicContact CE1-CG1 4.16Å; H738-I742 HydrophobicContact CB-CD1 4.31Å; H738-I742 WeakPolarHBondContact O-CA 3.48Å; H738-I742 WeakPolarHBondContact O-CB 3.39Å; H738-I742 PolarHBondContact O-N 3.25Å; H738-I742 VanDerWaalsContact O-N 3.11Å; I742-L803 HydrophobicContact CD1-CD2 4.23Å
743T81.6Confident78.3Confident52 Ų5265.5 Ų65.532%0.31933%0.326SS..SBendtrans-77.7133.6176.454.90000111.5H738 S739 R745H738-T743 WeakPolarHBondContact CE1-CG2 3.36Å; H738-T743 PolarHBondContact O-N 3.37Å; H738-T743 PolarHBondContact O-OG1 2.94Å; S739-T743 VanDerWaalsContact C-OG1 3.31Å; S739-T743 WeakPolarHBondContact CA-OG1 3.37Å; S739-T743 PolarHBondContact O-OG1 3.2Å; T743-R745 PolarHBondContact O-N 3.34Å
744E59.2Low77.9Confident200 Ų20067 Ų6794%0.93533%0.332SS*.  trans-70.451.3-179.8-64.8-178.9164.400114.2
745R55.1Low77.5Confident181 Ų18166.3 Ų66.368%0.68333%0.33SS*.  trans-90.3109.9163.9-70.1-172.5-173.8-179.54.4107.6T743 T747T743-R745 PolarHBondContact O-N 3.34Å; R745-T747 PolarHBondContact O-N 3.22Å
746Q51Low77.4Confident204 Ų20464.2 Ų64.295%0.95332%0.319SS*.  trans-67.366.7172.1-73-179.7-20.800110.8
747T57.9Low77.5Confident71 Ų7164.5 Ų64.544%0.43632%0.321SS..PPolyproline II helixtrans-85.6129.8159.257.30000107.4R745 L749R745-T747 PolarHBondContact O-N 3.22Å; T747-L749 PolarHBondContact O-N 3.27Å; T747-L749 VanDerWaalsContact O-N 3.11Å
748S65.2Low77.3Confident105 Ų10564.7 Ų64.773%0.73432%0.322SS*.PPolyproline II helixtrans-53.4118.8170.5520000109.3
749L71.7Confident77.3Confident61 Ų6162.4 Ų62.432%0.31931%0.311SS..PPolyproline II helixtrans-63.5134.3176.6-71.1166.4000109.4F741 T747 D753F741-L749 HydrophobicContact CD1-CD2 4.34Å; F741-L749 HydrophobicContact CE1-CD1 4.09Å; F741-L749 HydrophobicContact CE1-CD2 3.75Å; F741-L749 HydrophobicContact CZ-CD2 4.11Å; T747-L749 PolarHBondContact O-N 3.27Å; T747-L749 VanDerWaalsContact O-N 3.11Å; L749-D753 HydrophobicContact CD2-CB 4.05Å
750I73.4Confident77.5Confident89 Ų8960.6 Ų60.646%0.45630%0.299SS..PPolyproline II helixtrans-96154.2173.9-53.5172.9000107.7E752 D753I750-E752 HydrophobicContact CG2-CB 4.41Å; I750-E752 HydrophobicContact CG2-CG 4.33Å; I750-E752 PolarHBondContact O-N 2.92Å; I750-E752 VanDerWaalsContact O-N 3.08Å; I750-D753 PolarHBondContact N-OD2 3.38Å; I750-D753 WeakPolarHBondContact O-CB 3.3Å; I750-D753 PolarHBondContact O-N 2.85Å
751E73.3Confident77.7Confident110 Ų11058.7 Ų58.751%0.51429%0.29SS..G310 helixtrans-54.3-30.3177.7-171163.1-149.700113.2D753 Y754E751-D753 VanDerWaalsContact C-N 3.35Å; E751-D753 PolarHBondContact O-N 3.3Å; E751-Y754 WeakPolarHBondContact O-CD2 3.47Å; E751-Y754 PolarHBondContact O-N 3.37Å
752E77.1Confident77.8Confident49 Ų4957.8 Ų57.823%0.22929%0.287CS..G310 helixtrans-66.4-31.7175.5-60.8175.1-178.800113.6I688 I750 Y754 F755I688-E752 WeakPolarHBondContact CD1-OE1 3.12Å; I688-E752 WeakPolarHBondContact CD1-OE2 3.45Å; I688-E752 HydrophobicContact CG2-CB 4.36Å; I688-E752 HydrophobicContact CG2-CG 4.14Å; I750-E752 HydrophobicContact CG2-CB 4.41Å; I750-E752 HydrophobicContact CG2-CG 4.33Å; I750-E752 PolarHBondContact O-N 2.92Å; I750-E752 VanDerWaalsContact O-N 3.08Å; E752-Y754 PolarHBondContact O-N 3.05Å; E752-F755 PolarHBondContact O-N 2.86Å; E752-F755 VanDerWaalsContact O-N 3.15Å
753D82.4Confident78.2Confident0 Ų056 Ų560%028%0.277CS..G310 helixtrans-63.7-28.1-177.6-71.6-39.5000111T675 K740 F741 L749 I750 E751 F755 L756T675-D753 WeakPolarHBondContact CG2-OD1 3.45Å; K740-D753 WeakPolarHBondContact CE-OD1 3.38Å; K740-D753 IonicContact NZ-OD1 3.93Å; K740-D753 PolarHBondContact NZ-OD1 3.01Å; K740-D753 VanDerWaalsContact NZ-OD1 3.16Å; K740-D753 IonicContact NZ-OD2 2.82Å; K740-D753 PolarHBondContact NZ-OD2 3.43Å; F741-D753 HydrophobicContact CZ-CB 4.38Å; L749-D753 HydrophobicContact CD2-CB 4.05Å; I750-D753 PolarHBondContact N-OD2 3.38Å; I750-D753 WeakPolarHBondContact O-CB 3.3Å; I750-D753 PolarHBondContact O-N 2.85Å; E751-D753 VanDerWaalsContact C-N 3.35Å; E751-D753 PolarHBondContact O-N 3.3Å; D753-F755 PolarHBondContact O-N 3.43Å; D753-L756 VanDerWaalsContact O-CB 3.27Å; D753-L756 WeakPolarHBondContact O-CB 3.47Å; D753-L756 VanDerWaalsContact O-CG 3.31Å; D753-L756 WeakPolarHBondContact O-CG 3.41Å; D753-L756 PolarHBondContact O-N 2.83Å; D753-L756 VanDerWaalsContact O-N 3.11Å
754Y83.4Confident78.8Confident33 Ų3353.5 Ų53.513%0.12926%0.262CS..G310 helixtrans-67.7-17.9178.7-63.7-80.5000113.8E751 E752 L756 P758 T828E751-Y754 WeakPolarHBondContact O-CD2 3.47Å; E751-Y754 PolarHBondContact O-N 3.37Å; E752-Y754 PolarHBondContact O-N 3.05Å; Y754-L756 PolarHBondContact O-N 2.82Å; Y754-P758 WeakPolarHBondContact O-CD 3.43Å; Y754-T828 WeakPolarHBondContact CD1-O 3.11Å; Y754-T828 WeakPolarHBondContact CE1-O 3.48Å
755F85.5Confident80.3Confident6 Ų644.7 Ų44.73%0.02622%0.22CC..G310 helixtrans-76-11.8173.8-71.3-89.4000113.1C689 I692 Q693 E752 D753 T757 P758 L759 F1005 P1007C689-F755 HydrophobicContact CB-CE1 4.45Å; C689-F755 HydrophobicContact CB-CE2 3.96Å; C689-F755 HydrophobicContact CB-CZ 3.84Å; C689-F755 VanDerWaalsContact SG-CE2 3.57Å; I692-F755 HydrophobicContact CB-CB 4.31Å; I692-F755 HydrophobicContact CD1-CB 3.85Å; I692-F755 HydrophobicContact CG2-CB 3.79Å; Q693-F755 HydrophobicContact CG-CE1 4.38Å; E752-F755 PolarHBondContact O-N 2.86Å; E752-F755 VanDerWaalsContact O-N 3.15Å; D753-F755 PolarHBondContact O-N 3.43Å; F755-T757 VanDerWaalsContact C-N 3.3Å; F755-T757 PolarHBondContact O-N 3.37Å; F755-P758 VanDerWaalsContact O-CD 3.29Å; F755-P758 WeakPolarHBondContact O-CD 3.43Å; F755-P758 WeakPolarHBondContact O-CG 3.19Å; F755-L759 WeakPolarHBondContact O-CB 3.48Å; F755-L759 PolarHBondContact O-N 3.38Å; F755-F1005 HydrophobicContact CE1-CD1 4.23Å; F755-F1005 VanDerWaalsContact CE1-O 3.27Å; F755-F1005 WeakPolarHBondContact CE1-O 3.18Å; F755-F1005 WeakPolarHBondContact CZ-O 3.44Å; F755-P1007 HydrophobicContact CD2-CG 4.23Å; F755-P1007 HydrophobicContact CE1-CG 4.46Å; F755-P1007 HydrophobicContact CE2-CG 4.09Å; F755-P1007 HydrophobicContact CG-CG 4.49Å; F755-P1007 HydrophobicContact CZ-CG 4.22Å
756L89.6Confident82.1Confident0 Ų036 Ų360%019%0.188CC..Hα-helixtrans-66.2-33.7176.4-65.3172.1000112.2T675 L678 L736 Y737 K740 F741 D753 Y754 L759 L760T675-L756 HydrophobicContact CG2-CD1 4.16Å; T675-L756 HydrophobicContact CG2-CD2 4.42Å; T675-L756 HydrophobicContact CG2-CG 4.37Å; L678-L756 HydrophobicContact CD1-CD2 3.76Å; L736-L756 HydrophobicContact CD2-CD1 3.95Å; L736-L756 HydrophobicContact CD2-CD2 3.68Å; L736-L756 HydrophobicContact CD2-CG 4.46Å; L736-L756 HydrophobicContact CG-CD1 3.89Å; L736-L756 HydrophobicContact CG-CD2 4.29Å; Y737-L756 HydrophobicContact CD2-CB 4.09Å; K740-L756 HydrophobicContact CG-CD1 4.37Å; F741-L756 HydrophobicContact CE2-CB 4.25Å; F741-L756 HydrophobicContact CE2-CD1 4.25Å; D753-L756 VanDerWaalsContact O-CB 3.27Å; D753-L756 WeakPolarHBondContact O-CB 3.47Å; D753-L756 VanDerWaalsContact O-CG 3.31Å; D753-L756 WeakPolarHBondContact O-CG 3.41Å; D753-L756 PolarHBondContact O-N 2.83Å; D753-L756 VanDerWaalsContact O-N 3.11Å; Y754-L756 PolarHBondContact O-N 2.82Å; L756-L759 PolarHBondContact O-N 3.12Å; L756-L760 VanDerWaalsContact O-CB 3.29Å; L756-L760 WeakPolarHBondContact O-CB 3.46Å; L756-L760 PolarHBondContact O-N 2.87Å
757T89.3Confident84.1Confident7 Ų726.3 Ų26.34%0.04314%0.142CC..Hα-helixtrans-60-57.2178.8-55.40000112.5F755 L759 L760 T761 G831 N833 L836F755-T757 VanDerWaalsContact C-N 3.3Å; F755-T757 PolarHBondContact O-N 3.37Å; T757-L759 VanDerWaalsContact C-N 3.31Å; T757-L759 PolarHBondContact O-N 3.35Å; T757-L760 PolarHBondContact O-N 2.8Å; T757-T761 WeakPolarHBondContact O-CB 3.45Å; T757-T761 PolarHBondContact O-N 3.34Å; T757-T761 PolarHBondContact O-OG1 2.68Å; T757-G831 WeakPolarHBondContact CG2-O 3.14Å; T757-G831 VanDerWaalsContact OG1-C 3.31Å; T757-G831 PolarHBondContact OG1-O 3.42Å; T757-N833 HydrophobicContact CG2-CB 4.24Å; T757-L836 HydrophobicContact CG2-CB 4.12Å; T757-L836 HydrophobicContact CG2-CD2 3.83Å
758P87.5Confident85.7Confident3 Ų323.1 Ų23.12%0.01912%0.122CC..Hα-helixtrans-65.3-32.9176.725.7-34.5000112.4I696 Y754 F755 T761 S762 M1010I696-P758 HydrophobicContact CD1-CB 4.06Å; I696-P758 HydrophobicContact CD1-CG 4.03Å; Y754-P758 WeakPolarHBondContact O-CD 3.43Å; F755-P758 VanDerWaalsContact O-CD 3.29Å; F755-P758 WeakPolarHBondContact O-CD 3.43Å; F755-P758 WeakPolarHBondContact O-CG 3.19Å; P758-T761 WeakPolarHBondContact O-CB 3.42Å; P758-T761 PolarHBondContact O-N 3.21Å; P758-S762 WeakPolarHBondContact O-CB 3.35Å; P758-S762 PolarHBondContact O-N 2.86Å; P758-S762 PolarHBondContact O-OG 3.43Å; P758-M1010 HydrophobicContact CB-SD 4.47Å
759L91.1Very high86.9Confident0 Ų019 Ų190%09%0.092CC..Hα-helixtrans-63.7-47.8175.5-177.265.4000112L678 I692 Q695 I696 I699 F755 L756 T757 T761 S762 W763L678-L759 HydrophobicContact CD1-CD2 4.33Å; I692-L759 HydrophobicContact CG2-CB 4.23Å; I692-L759 HydrophobicContact CG2-CD2 4.15Å; Q695-L759 HydrophobicContact CB-CD1 3.89Å; I696-L759 HydrophobicContact CD1-CB 4.33Å; I696-L759 HydrophobicContact CG1-CB 4.1Å; I696-L759 HydrophobicContact CG1-CD1 3.82Å; I699-L759 HydrophobicContact CD1-CD1 3.88Å; F755-L759 WeakPolarHBondContact O-CB 3.48Å; F755-L759 PolarHBondContact O-N 3.38Å; L756-L759 PolarHBondContact O-N 3.12Å; T757-L759 VanDerWaalsContact C-N 3.31Å; T757-L759 PolarHBondContact O-N 3.35Å; L759-T761 VanDerWaalsContact C-N 3.35Å; L759-T761 PolarHBondContact O-N 3.06Å; L759-S762 VanDerWaalsContact O-CB 3.24Å; L759-S762 WeakPolarHBondContact O-CB 3.36Å; L759-S762 PolarHBondContact O-N 3.48Å; L759-S762 VanDerWaalsContact O-N 3.14Å; L759-W763 VanDerWaalsContact O-CD1 3.29Å; L759-W763 PolarHBondContact O-N 3.29Å
760L93.3Very high87.9Confident0 Ų016.1 Ų16.10%08%0.077CC..Hα-helixtrans-63.7-41.9176.8-179.862.1000111.5W734 Y737 L756 T757 S762 W763 I764 L803W734-L760 HydrophobicContact CB-CD1 4.39Å; W734-L760 HydrophobicContact CE3-CD1 4.13Å; W734-L760 HydrophobicContact CE3-CD2 3.91Å; W734-L760 HydrophobicContact CZ3-CD2 4.16Å; Y737-L760 HydrophobicContact CD1-CD2 3.5Å; Y737-L760 VanDerWaalsContact CD1-CD2 3.5Å; Y737-L760 HydrophobicContact CD2-CD2 3.82Å; Y737-L760 HydrophobicContact CE1-CD2 3.93Å; Y737-L760 HydrophobicContact CE2-CD2 4.2Å; Y737-L760 HydrophobicContact CG-CD2 3.46Å; Y737-L760 VanDerWaalsContact CG-CD2 3.46Å; L756-L760 VanDerWaalsContact O-CB 3.29Å; L756-L760 WeakPolarHBondContact O-CB 3.46Å; L756-L760 PolarHBondContact O-N 2.87Å; T757-L760 PolarHBondContact O-N 2.8Å; L760-S762 PolarHBondContact O-N 2.9Å; L760-W763 PolarHBondContact O-N 3.3Å; L760-I764 HydrophobicContact CD1-CD1 4.15Å; L760-I764 HydrophobicContact CD1-CG1 4.22Å; L760-I764 HydrophobicContact CG-CD1 3.94Å; L760-I764 HydrophobicContact CG-CG1 4.44Å; L760-I764 WeakPolarHBondContact O-CG1 3.06Å; L760-I764 PolarHBondContact O-N 3.2Å; L760-L803 HydrophobicContact CD2-CD1 4.16Å; L760-L803 HydrophobicContact CD2-CD2 4.48Å
761T90.6Very high88.7Confident0 Ų012 Ų120%06%0.056CC..Hα-helixtrans-53-44.1173-54.40000110.7W483 T757 P758 L759 H765 L836 V839W483-T761 HydrophobicContact CB-CG2 4.33Å; W483-T761 HydrophobicContact CG-CG2 4.06Å; T757-T761 WeakPolarHBondContact O-CB 3.45Å; T757-T761 PolarHBondContact O-N 3.34Å; T757-T761 PolarHBondContact O-OG1 2.68Å; P758-T761 WeakPolarHBondContact O-CB 3.42Å; P758-T761 PolarHBondContact O-N 3.21Å; L759-T761 VanDerWaalsContact C-N 3.35Å; L759-T761 PolarHBondContact O-N 3.06Å; T761-H765 PolarHBondContact O-N 3.22Å; T761-L836 WeakPolarHBondContact OG1-CA 3.41Å; T761-L836 VanDerWaalsContact OG1-CB 3.3Å; T761-L836 WeakPolarHBondContact OG1-CB 3.26Å; T761-L836 WeakPolarHBondContact OG1-CD1 3.3Å; T761-V839 HydrophobicContact CG2-CB 4.01Å; T761-V839 HydrophobicContact CG2-CG1 4.46Å; T761-V839 HydrophobicContact CG2-CG2 3.63Å
762S90Very high89.4Confident0 Ų09 Ų90%04%0.042CC..Hα-helixtrans-63-47.1180-50.20000111.8W483 I699 P758 L759 L760 F766W483-S762 WeakPolarHBondContact CZ2-OG 3.22Å; I699-S762 WeakPolarHBondContact CG2-O 3.23Å; P758-S762 WeakPolarHBondContact O-CB 3.35Å; P758-S762 PolarHBondContact O-N 2.86Å; P758-S762 PolarHBondContact O-OG 3.43Å; L759-S762 VanDerWaalsContact O-CB 3.24Å; L759-S762 WeakPolarHBondContact O-CB 3.36Å; L759-S762 PolarHBondContact O-N 3.48Å; L759-S762 VanDerWaalsContact O-N 3.14Å; L760-S762 PolarHBondContact O-N 2.9Å; S762-F766 WeakPolarHBondContact O-CB 3.37Å; S762-F766 PolarHBondContact O-N 2.67Å
763W94.3Very high89.9Confident4 Ų47.6 Ų7.62%0.0154%0.037CC..Hα-helixtrans-63-47.2179.8-80.6120.6000113.1L661 I699 I726 A730 L759 L760 H765 F766 L767L661-W763 HydrophobicContact CB-CH2 4.22Å; L661-W763 HydrophobicContact CD1-CH2 4.24Å; L661-W763 HydrophobicContact CD2-CH2 4.13Å; L661-W763 HydrophobicContact CD2-CZ2 3.91Å; L661-W763 HydrophobicContact CG-CH2 4.44Å; I699-W763 HydrophobicContact CD1-CD2 3.62Å; I699-W763 HydrophobicContact CD1-CE3 4.12Å; I699-W763 HydrophobicContact CD1-CG 4.02Å; I699-W763 HydrophobicContact CD1-CH2 4.25Å; I699-W763 HydrophobicContact CD1-CZ2 3.76Å; I699-W763 HydrophobicContact CD1-CZ3 4.4Å; I699-W763 HydrophobicContact CG1-CD2 4.34Å; I699-W763 HydrophobicContact CG1-CE3 4.35Å; I699-W763 HydrophobicContact CG1-CH2 4.2Å; I699-W763 HydrophobicContact CG1-CZ2 4.17Å; I699-W763 HydrophobicContact CG1-CZ3 4.27Å; I726-W763 HydrophobicContact CG2-CZ3 3.92Å; A730-W763 HydrophobicContact CB-CB 4.18Å; A730-W763 HydrophobicContact CB-CD2 3.67Å; A730-W763 HydrophobicContact CB-CE3 3.67Å; A730-W763 HydrophobicContact CB-CG 3.93Å; A730-W763 HydrophobicContact CB-CZ3 4.28Å; L759-W763 VanDerWaalsContact O-CD1 3.29Å; L759-W763 PolarHBondContact O-N 3.29Å; L760-W763 PolarHBondContact O-N 3.3Å; W763-H765 PolarHBondContact O-N 2.92Å; W763-F766 HydrophobicContact CE3-CD1 4.05Å; W763-F766 HydrophobicContact CZ3-CD1 4.02Å; W763-F766 HydrophobicContact CZ3-CE1 4.19Å; W763-F766 PolarHBondContact O-N 3.32Å; W763-L767 WeakPolarHBondContact O-CB 3.41Å; W763-L767 VanDerWaalsContact O-CG 3.29Å; W763-L767 WeakPolarHBondContact O-CG 3.32Å; W763-L767 PolarHBondContact O-N 2.82Å
764I93.9Very high90.1Very high0 Ų07.7 Ų7.70%04%0.037CC..Hα-helixtrans-59-50.4-179.4-67.8170.1000110L760 F766 I768 V796 L803 L836 V839 V840L760-I764 HydrophobicContact CD1-CD1 4.15Å; L760-I764 HydrophobicContact CD1-CG1 4.22Å; L760-I764 HydrophobicContact CG-CD1 3.94Å; L760-I764 HydrophobicContact CG-CG1 4.44Å; L760-I764 WeakPolarHBondContact O-CG1 3.06Å; L760-I764 PolarHBondContact O-N 3.2Å; I764-F766 PolarHBondContact O-N 2.76Å; I764-I768 HydrophobicContact CG2-CD1 4.03Å; I764-I768 WeakPolarHBondContact O-CD1 2.93Å; I764-I768 WeakPolarHBondContact O-CG1 3.25Å; I764-I768 PolarHBondContact O-N 2.93Å; I764-V796 HydrophobicContact CG2-CG1 4.12Å; I764-L803 HydrophobicContact CD1-CD1 3.68Å; I764-L836 HydrophobicContact CD1-CD1 4.3Å; I764-V839 HydrophobicContact CB-CG1 4.22Å; I764-V839 HydrophobicContact CG2-CG1 3.87Å; I764-V840 HydrophobicContact CD1-CG2 4.23Å
765H90.7Very high90.1Very high15 Ų157.3 Ų7.37%0.0694%0.037CC..Hα-helixtrans-63.3-45.2-178.5-168.685.3000112W483 N703 T761 W763 I768 N769 V839W483-H765 HydrophobicContact CD2-CB 4.46Å; W483-H765 HydrophobicContact CE3-CB 3.5Å; W483-H765 VanDerWaalsContact CE3-CB 3.5Å; W483-H765 AromaticContact CE3-CD2 3.48Å; W483-H765 VanDerWaalsContact CE3-CD2 3.48Å; W483-H765 AromaticContact CE3-CG 3.58Å; W483-H765 HydrophobicContact CZ3-CB 3.87Å; W483-H765 AromaticContact CZ3-CD2 3.85Å; W483-H765 PolarHBondContact O-CE1 2.9Å; N703-H765 PolarHBondContact ND2-CD2 2.75Å; T761-H765 PolarHBondContact O-N 3.22Å; W763-H765 PolarHBondContact O-N 2.92Å; H765-I768 PolarHBondContact O-N 3.17Å; H765-N769 PolarHBondContact CD2-ND2 2.89Å; H765-N769 PolarHBondContact NE2-ND2 3.08Å; H765-N769 PolarHBondContact O-N 2.91Å; H765-N769 PolarHBondContact O-ND2 3.2Å; H765-V839 HydrophobicContact CB-CG1 3.93Å; H765-V839 HydrophobicContact CB-CG2 4.5Å
766F92.8Very high89.6Confident0 Ų013.2 Ų13.20%07%0.065CC..Hα-helixtrans-62.2-48.9179.3170-106000113I699 L702 N703 F706 L719 I726 S762 W763 I764 I768 N769 L770I699-F766 HydrophobicContact CG2-CB 3.41Å; I699-F766 VanDerWaalsContact CG2-CB 3.41Å; I699-F766 HydrophobicContact CG2-CD1 4.22Å; I699-F766 HydrophobicContact CG2-CD2 4.24Å; I699-F766 HydrophobicContact CG2-CG 3.7Å; L702-F766 HydrophobicContact CB-CD2 4.14Å; L702-F766 HydrophobicContact CB-CE2 3.43Å; L702-F766 VanDerWaalsContact CB-CE2 3.43Å; L702-F766 HydrophobicContact CB-CZ 4Å; L702-F766 HydrophobicContact CD1-CE2 4.29Å; L702-F766 HydrophobicContact CD1-CZ 3.99Å; N703-F766 HydrophobicContact CB-CD2 4.16Å; F706-F766 HydrophobicContact CE1-CD2 4.29Å; F706-F766 AromaticContact CE1-CE2 3.7Å; F706-F766 HydrophobicContact CE1-CE2 3.7Å; F706-F766 AromaticContact CZ-CD2 3.61Å; F706-F766 HydrophobicContact CZ-CD2 3.61Å; F706-F766 AromaticContact CZ-CE2 3.47Å; F706-F766 HydrophobicContact CZ-CE2 3.47Å; F706-F766 VanDerWaalsContact CZ-CE2 3.47Å; L719-F766 HydrophobicContact CD2-CZ 4.38Å; I726-F766 HydrophobicContact CG2-CE1 3.73Å; S762-F766 WeakPolarHBondContact O-CB 3.37Å; S762-F766 PolarHBondContact O-N 2.67Å; W763-F766 HydrophobicContact CE3-CD1 4.05Å; W763-F766 HydrophobicContact CZ3-CD1 4.02Å; W763-F766 HydrophobicContact CZ3-CE1 4.19Å; W763-F766 PolarHBondContact O-N 3.32Å; I764-F766 PolarHBondContact O-N 2.76Å; F766-I768 PolarHBondContact O-N 3.26Å; F766-N769 PolarHBondContact O-N 3.44Å; F766-L770 HydrophobicContact CE1-CD2 3.97Å; F766-L770 HydrophobicContact CZ-CB 4.47Å; F766-L770 HydrophobicContact CZ-CD2 3.84Å; F766-L770 VanDerWaalsContact O-CB 3.23Å; F766-L770 WeakPolarHBondContact O-CB 3.41Å; F766-L770 PolarHBondContact O-N 2.99Å
767L94.3Very high88.5Confident0 Ų014.8 Ų14.80%08%0.081CC..Hα-helixtrans-60.6-35.7-177.4-74.8175.6000112.2I726 F727 A730 W763 S771 I792 V796 W799I726-L767 HydrophobicContact CG2-CD2 4.07Å; F727-L767 HydrophobicContact CD2-CD1 4.28Å; A730-L767 HydrophobicContact CB-CD1 3.75Å; W763-L767 WeakPolarHBondContact O-CB 3.41Å; W763-L767 VanDerWaalsContact O-CG 3.29Å; W763-L767 WeakPolarHBondContact O-CG 3.32Å; W763-L767 PolarHBondContact O-N 2.82Å; L767-S771 WeakPolarHBondContact O-CB 3.41Å; L767-S771 PolarHBondContact O-N 3.44Å; L767-S771 PolarHBondContact O-OG 2.9Å; L767-I792 HydrophobicContact CB-CG2 4.45Å; L767-I792 HydrophobicContact CD1-CG2 4.48Å; L767-I792 HydrophobicContact CD2-CG2 4.36Å; L767-V796 HydrophobicContact CB-CG2 4.28Å; L767-V796 HydrophobicContact CD1-CG2 3.78Å; L767-W799 HydrophobicContact CD1-CH2 4.46Å; L767-W799 HydrophobicContact CD1-CZ3 4.06Å
768I91.1Very high86.8Confident3 Ų323.2 Ų23.22%0.01512%0.12CC..Hα-helixtrans-70.8-52.4179.6-69.2167.8000110.5I764 H765 F766 L770 S771 F772 I793 V796 K846I764-I768 HydrophobicContact CG2-CD1 4.03Å; I764-I768 WeakPolarHBondContact O-CD1 2.93Å; I764-I768 WeakPolarHBondContact O-CG1 3.25Å; I764-I768 PolarHBondContact O-N 2.93Å; H765-I768 PolarHBondContact O-N 3.17Å; F766-I768 PolarHBondContact O-N 3.26Å; I768-L770 VanDerWaalsContact C-N 3.28Å; I768-L770 PolarHBondContact O-N 3.34Å; I768-S771 WeakPolarHBondContact O-CB 3.3Å; I768-S771 PolarHBondContact O-N 3.13Å; I768-F772 HydrophobicContact CG2-CD2 3.9Å; I768-F772 HydrophobicContact CG2-CE2 3.84Å; I768-F772 WeakPolarHBondContact O-CD2 3.47Å; I768-F772 PolarHBondContact O-N 3.21Å; I768-I793 HydrophobicContact CG1-CD1 4.46Å; I768-V796 HydrophobicContact CD1-CG1 3.93Å; I768-V796 HydrophobicContact CG1-CG1 4.06Å; I768-K846 HydrophobicContact CG2-CB 3.89Å; I768-K846 HydrophobicContact CG2-CD 4.07Å
769N89.5Confident85.1Confident19 Ų1929.1 Ų29.110%0.10215%0.151CC..Hα-helixtrans-62.9-37.6179.7-67-20.9000111.5N703 F706 V707 H765 F766 S771 F772 C773N703-N769 PolarHBondContact OD1-ND2 3.23Å; F706-N769 HydrophobicContact CD2-CB 4.04Å; F706-N769 HydrophobicContact CE2-CB 3.45Å; F706-N769 VanDerWaalsContact CE2-CB 3.45Å; F706-N769 HydrophobicContact CZ-CB 4.47Å; V707-N769 HydrophobicContact CG2-CB 4.48Å; H765-N769 PolarHBondContact CD2-ND2 2.89Å; H765-N769 PolarHBondContact NE2-ND2 3.08Å; H765-N769 PolarHBondContact O-N 2.91Å; H765-N769 PolarHBondContact O-ND2 3.2Å; F766-N769 PolarHBondContact O-N 3.44Å; N769-S771 VanDerWaalsContact C-N 3.32Å; N769-S771 PolarHBondContact O-N 3.2Å; N769-F772 PolarHBondContact O-N 2.85Å; N769-C773 WeakPolarHBondContact O-CB 3.21Å; N769-C773 PolarHBondContact O-N 3.33Å
770L91.9Very high83.2Confident1 Ų129.9 Ų29.91%0.00516%0.156CC..Hα-helixtrans-59.9-43.5172.2177.660.3000111.3F706 L719 L723 F766 I768 C773 L774F706-L770 HydrophobicContact CE1-CB 4.48Å; F706-L770 HydrophobicContact CE1-CD1 4.19Å; F706-L770 HydrophobicContact CZ-CB 4.04Å; L719-L770 HydrophobicContact CB-CD1 4.07Å; L719-L770 HydrophobicContact CD1-CD1 3.88Å; L723-L770 HydrophobicContact CD1-CD2 3.94Å; F766-L770 HydrophobicContact CE1-CD2 3.97Å; F766-L770 HydrophobicContact CZ-CB 4.47Å; F766-L770 HydrophobicContact CZ-CD2 3.84Å; F766-L770 VanDerWaalsContact O-CB 3.23Å; F766-L770 WeakPolarHBondContact O-CB 3.41Å; F766-L770 PolarHBondContact O-N 2.99Å; I768-L770 VanDerWaalsContact C-N 3.28Å; I768-L770 PolarHBondContact O-N 3.34Å; L770-C773 WeakPolarHBondContact O-CB 3.31Å; L770-C773 PolarHBondContact O-N 3.37Å; L770-L774 HydrophobicContact CD1-CD1 4.1Å; L770-L774 HydrophobicContact CD1-CG 4.09Å; L770-L774 HydrophobicContact CG-CD1 4.03Å; L770-L774 HydrophobicContact CG-CG 4.42Å; L770-L774 WeakPolarHBondContact O-CG 3.32Å; L770-L774 PolarHBondContact O-N 3.09Å
771S91.5Very high81.4Confident2 Ų237 Ų371%0.01419%0.194CC..Hα-helixtrans-64.6-41.1178.2-60.80000112.1L767 I768 N769 L774 M775L767-S771 WeakPolarHBondContact O-CB 3.41Å; L767-S771 PolarHBondContact O-N 3.44Å; L767-S771 PolarHBondContact O-OG 2.9Å; I768-S771 WeakPolarHBondContact O-CB 3.3Å; I768-S771 PolarHBondContact O-N 3.13Å; N769-S771 VanDerWaalsContact C-N 3.32Å; N769-S771 PolarHBondContact O-N 3.2Å; S771-L774 PolarHBondContact O-N 3.3Å; S771-M775 WeakPolarHBondContact O-CB 3.21Å; S771-M775 VanDerWaalsContact O-CG 3.22Å; S771-M775 WeakPolarHBondContact O-CG 3.32Å; S771-M775 PolarHBondContact O-N 3Å
772F87.9Confident80.2Confident47 Ų4739.5 Ų39.521%0.20621%0.211CC..Hα-helixtrans-59.7-48172.9-88.3-83.9000111.2I768 N769 L774 M775 E776 K846 L850I768-F772 HydrophobicContact CG2-CD2 3.9Å; I768-F772 HydrophobicContact CG2-CE2 3.84Å; I768-F772 WeakPolarHBondContact O-CD2 3.47Å; I768-F772 PolarHBondContact O-N 3.21Å; N769-F772 PolarHBondContact O-N 2.85Å; F772-L774 PolarHBondContact O-N 3.49Å; F772-M775 PolarHBondContact O-N 2.7Å; F772-E776 PolarHBondContact O-N 2.87Å; F772-E776 VanDerWaalsContact O-N 3.1Å; F772-K846 HydrophobicContact CE2-CB 3.95Å; F772-K846 HydrophobicContact CE2-CG 4.45Å; F772-K846 HydrophobicContact CZ-CB 4.36Å; F772-L850 HydrophobicContact CB-CD1 4.35Å; F772-L850 HydrophobicContact CD1-CD1 4.14Å; F772-L850 HydrophobicContact CD2-CD1 3.55Å; F772-L850 HydrophobicContact CE1-CB 4.48Å; F772-L850 HydrophobicContact CE1-CD1 4.29Å; F772-L850 HydrophobicContact CE2-CB 4.08Å; F772-L850 HydrophobicContact CE2-CD1 3.69Å; F772-L850 HydrophobicContact CE2-CG 4.44Å; F772-L850 HydrophobicContact CG-CD1 3.76Å; F772-L850 HydrophobicContact CZ-CB 3.93Å; F772-L850 HydrophobicContact CZ-CD1 4.08Å; F772-L850 HydrophobicContact CZ-CG 4.43Å
773C87.7Confident79Confident19 Ų1944.1 Ų44.113%0.12824%0.24CC..Hα-helixtrans-57.3-46.7177.5173.20000112.3F706 N769 L770 M775 E776 G777F706-C773 HydrophobicContact CB-CB 4.08Å; F706-C773 HydrophobicContact CD2-CB 4.41Å; F706-C773 HydrophobicContact CG-CB 4.22Å; N769-C773 WeakPolarHBondContact O-CB 3.21Å; N769-C773 PolarHBondContact O-N 3.33Å; L770-C773 WeakPolarHBondContact O-CB 3.31Å; L770-C773 PolarHBondContact O-N 3.37Å; C773-M775 VanDerWaalsContact C-N 3.3Å; C773-M775 PolarHBondContact O-N 3.47Å; C773-E776 PolarHBondContact O-N 3.22Å; C773-G777 PolarHBondContact O-N 2.63Å
774L87.4Confident78.2Confident2 Ų249.3 Ų49.31%0.0127%0.267CS..Hα-helixtrans-68.5-27.2178.7-68.3174.9000113.2V716 Q720 L723 L770 S771 F772 N780 I789V716-L774 HydrophobicContact CG1-CD2 3.9Å; Q720-L774 HydrophobicContact CB-CD2 4.18Å; L723-L774 HydrophobicContact CD1-CD1 4.21Å; L723-L774 HydrophobicContact CD2-CD1 4.24Å; L770-L774 HydrophobicContact CD1-CD1 4.1Å; L770-L774 HydrophobicContact CD1-CG 4.09Å; L770-L774 HydrophobicContact CG-CD1 4.03Å; L770-L774 HydrophobicContact CG-CG 4.42Å; L770-L774 WeakPolarHBondContact O-CG 3.32Å; L770-L774 PolarHBondContact O-N 3.09Å; S771-L774 PolarHBondContact O-N 3.3Å; F772-L774 PolarHBondContact O-N 3.49Å; L774-N780 PolarHBondContact O-ND2 3.49Å; L774-I789 HydrophobicContact CB-CD1 3.68Å; L774-I789 HydrophobicContact CD1-CD1 4.28Å
775M82.4Confident77.5Confident26 Ų2650.3 Ų50.313%0.12827%0.273CS..Hα-helixtrans-79.6-24.5176.8-74.3-62.1-54.300113.7S771 F772 C773 I789 L850 I854S771-M775 WeakPolarHBondContact O-CB 3.21Å; S771-M775 VanDerWaalsContact O-CG 3.22Å; S771-M775 WeakPolarHBondContact O-CG 3.32Å; S771-M775 PolarHBondContact O-N 3Å; F772-M775 PolarHBondContact O-N 2.7Å; C773-M775 VanDerWaalsContact C-N 3.3Å; C773-M775 PolarHBondContact O-N 3.47Å; M775-I789 HydrophobicContact CG-CD1 4.36Å; M775-I789 HydrophobicContact CG-CG2 4.29Å; M775-I789 HydrophobicContact SD-CD1 4.1Å; M775-I789 HydrophobicContact SD-CG2 4.36Å; M775-L850 HydrophobicContact CG-CD1 4.48Å; M775-L850 HydrophobicContact CG-CD2 4.13Å; M775-L850 HydrophobicContact CG-CG 4.46Å; M775-I854 HydrophobicContact CE-CG1 3.69Å; M775-I854 HydrophobicContact SD-CD1 4.24Å; M775-I854 HydrophobicContact SD-CG1 3.89Å
776E76Confident77.1Confident129 Ų12952.4 Ų52.460%0.60328%0.282SS*.Hα-helixtrans-83-18.8177.3-73.8-174.9167.800113.6F772 C773 E778 R853F772-E776 PolarHBondContact O-N 2.87Å; F772-E776 VanDerWaalsContact O-N 3.1Å; C773-E776 PolarHBondContact O-N 3.22Å; E776-E778 PolarHBondContact O-N 3.46Å; E776-R853 IonicContact OE1-NH1 2.68Å
777G64.7Low76.7Confident34 Ų3458.2 Ų58.235%0.35131%0.31SS..  trans-67.1118.9178.600000113.1C773 N779 N780C773-G777 PolarHBondContact O-N 2.63Å; G777-N779 PolarHBondContact O-N 3.1Å; G777-N780 PolarHBondContact O-N 2.7Å
778E54.6Low76.3Confident184 Ų18460.9 Ų60.986%0.8633%0.326SS*.THydrogen-bonded Turntrans-55-23.6-179.3-64.7-173.1161.100114.5E776 N780E776-E778 PolarHBondContact O-N 3.46Å; E778-N780 PolarHBondContact O-N 2.9Å
779N51.4Low76.2Confident126 Ų12660.8 Ų60.867%0.67433%0.325SS*.THydrogen-bonded Turntrans-84.6-3.9-174.1-78-17.5000115G777 N781G777-N779 PolarHBondContact O-N 3.1Å; N779-N781 PolarHBondContact O-N 3.03Å
780N52.3Low76.2Confident17 Ų1762.3 Ų62.39%0.09133%0.332CS..  trans-91.429.1-166.9-76.6-13.5000115.8L774 G777 E778 S782 H786L774-N780 PolarHBondContact O-ND2 3.49Å; G777-N780 PolarHBondContact O-N 2.7Å; E778-N780 PolarHBondContact O-N 2.9Å; N780-S782 PolarHBondContact O-N 3.24Å; N780-H786 PolarHBondContact O-CE1 3.49Å; N780-H786 PolarHBondContact O-ND1 2.7Å; N780-H786 VanDerWaalsContact O-ND1 3.16Å
781N55.5Low76.2Confident150 Ų15066.7 Ų66.780%0.80235%0.353SS*.  trans-59.2-0.2175.3-73-21000115.4N779 T783N779-N781 PolarHBondContact O-N 3.03Å; N781-T783 PolarHBondContact O-N 3.3Å
782S63.7Low76.3Confident51 Ų5166.7 Ų66.736%0.35735%0.353SS..  trans-69123.3172.272.70000111.1N780 N784 I785 H786N780-S782 PolarHBondContact O-N 3.24Å; S782-N784 PolarHBondContact O-N 3.49Å; S782-I785 PolarHBondContact O-N 3.28Å; S782-I785 WeakPolarHBondContact OG-CD1 3.47Å; S782-I785 WeakPolarHBondContact OG-CG1 3.21Å; S782-H786 PolarHBondContact O-ND1 2.99Å
783T65.7Low76.6Confident98 Ų9864.5 Ų64.560%0.60134%0.344SS*.Hα-helixtrans-61.5-31177.850.80000112.6N781 H786 Q787N781-T783 PolarHBondContact O-N 3.3Å; T783-H786 PolarHBondContact O-N 3.5Å; T783-Q787 WeakPolarHBondContact O-CG 3.23Å; T783-Q787 PolarHBondContact O-N 2.82Å; T783-Q787 VanDerWaalsContact O-N 3.07Å
784N76.4Confident76.8Confident112 Ų11267.6 Ų67.660%0.59936%0.356SS*.Hα-helixtrans-65.8-40.2-178.2-70.60.4000112.5S782 Q787 T788S782-N784 PolarHBondContact O-N 3.49Å; N784-Q787 PolarHBondContact O-N 3.16Å; N784-T788 WeakPolarHBondContact O-CG2 3.28Å; N784-T788 PolarHBondContact O-N 3.41Å; N784-T788 PolarHBondContact O-OG1 2.88Å
785I79.7Confident77.2Confident22 Ų2269.7 Ų69.711%0.11337%0.368CS..Hα-helixtrans-70.4-40.2-180-63.7174.7000110.6Q720 S782 Q787 T788 I789Q720-I785 HydrophobicContact CG-CD1 3.88Å; S782-I785 PolarHBondContact O-N 3.28Å; S782-I785 WeakPolarHBondContact OG-CD1 3.47Å; S782-I785 WeakPolarHBondContact OG-CG1 3.21Å; I785-Q787 VanDerWaalsContact C-N 3.27Å; I785-Q787 PolarHBondContact O-N 2.93Å; I785-T788 WeakPolarHBondContact CA-OG1 3.39Å; I785-T788 PolarHBondContact O-N 2.93Å; I785-T788 PolarHBondContact O-OG1 3.44Å; I785-I789 HydrophobicContact CG2-CD1 3.65Å; I785-I789 HydrophobicContact CG2-CG1 4.18Å; I785-I789 WeakPolarHBondContact O-CB 3.44Å; I785-I789 VanDerWaalsContact O-CG1 3.26Å; I785-I789 WeakPolarHBondContact O-CG1 3.32Å; I785-I789 PolarHBondContact O-N 3.13Å
786H82.9Confident77.8Confident59 Ų5968.5 Ų68.527%0.27336%0.361SS..Hα-helixtrans-59.1-41.8174.3-76.788000111.6N780 S782 T783 Q790N780-H786 PolarHBondContact O-CE1 3.49Å; N780-H786 PolarHBondContact O-ND1 2.7Å; N780-H786 VanDerWaalsContact O-ND1 3.16Å; S782-H786 PolarHBondContact O-ND1 2.99Å; T783-H786 PolarHBondContact O-N 3.5Å; H786-Q790 VanDerWaalsContact O-CB 3.28Å; H786-Q790 WeakPolarHBondContact O-CB 3.31Å; H786-Q790 PolarHBondContact O-N 3.22Å
787Q84.2Confident78.7Confident122 Ų12263.6 Ų63.657%0.5734%0.339SS*.Hα-helixtrans-65.2-41.2176.1-73.2174-4.900112.7T783 N784 I785 Q790 M791T783-Q787 WeakPolarHBondContact O-CG 3.23Å; T783-Q787 PolarHBondContact O-N 2.82Å; T783-Q787 VanDerWaalsContact O-N 3.07Å; N784-Q787 PolarHBondContact O-N 3.16Å; I785-Q787 VanDerWaalsContact C-N 3.27Å; I785-Q787 PolarHBondContact O-N 2.93Å; Q787-Q790 PolarHBondContact O-N 2.99Å; Q787-M791 WeakPolarHBondContact O-CB 3.45Å; Q787-M791 PolarHBondContact O-N 2.81Å
788T86.3Confident80.1Confident55 Ų5566.2 Ų66.234%0.33735%0.345SS..Hα-helixtrans-68.5-41.8177.254.40000111.8N784 I785 M791 I792N784-T788 WeakPolarHBondContact O-CG2 3.28Å; N784-T788 PolarHBondContact O-N 3.41Å; N784-T788 PolarHBondContact O-OG1 2.88Å; I785-T788 WeakPolarHBondContact CA-OG1 3.39Å; I785-T788 PolarHBondContact O-N 2.93Å; I785-T788 PolarHBondContact O-OG1 3.44Å; T788-M791 PolarHBondContact O-N 3.05Å; T788-I792 WeakPolarHBondContact O-CG1 3.42Å; T788-I792 PolarHBondContact O-N 3.22Å
789I88.7Confident82.1Confident1 Ų158 Ų581%0.00531%0.306CS..Hα-helixtrans-61.7-45.5175-67170.2000110.4L723 L774 M775 I785 M791 I792 I793 L850 I854L723-I789 HydrophobicContact CD2-CG1 4.36Å; L774-I789 HydrophobicContact CB-CD1 3.68Å; L774-I789 HydrophobicContact CD1-CD1 4.28Å; M775-I789 HydrophobicContact CG-CD1 4.36Å; M775-I789 HydrophobicContact CG-CG2 4.29Å; M775-I789 HydrophobicContact SD-CD1 4.1Å; M775-I789 HydrophobicContact SD-CG2 4.36Å; I785-I789 HydrophobicContact CG2-CD1 3.65Å; I785-I789 HydrophobicContact CG2-CG1 4.18Å; I785-I789 WeakPolarHBondContact O-CB 3.44Å; I785-I789 VanDerWaalsContact O-CG1 3.26Å; I785-I789 WeakPolarHBondContact O-CG1 3.32Å; I785-I789 PolarHBondContact O-N 3.13Å; I789-M791 PolarHBondContact O-N 3.48Å; I789-I792 PolarHBondContact O-N 3.11Å; I789-I793 HydrophobicContact CG2-CG1 4.26Å; I789-I793 WeakPolarHBondContact O-CG1 3.44Å; I789-I793 PolarHBondContact O-N 3Å; I789-L850 HydrophobicContact CG2-CD2 4.06Å; I789-I854 HydrophobicContact CG2-CD1 4.02Å
790Q89.4Confident84.2Confident52 Ų5252 Ų5224%0.24327%0.274CS..Hα-helixtrans-57.2-48.9176-177.3179.7-10.300111.1H786 Q787 I792 I793 E794 L851 I854H786-Q790 VanDerWaalsContact O-CB 3.28Å; H786-Q790 WeakPolarHBondContact O-CB 3.31Å; H786-Q790 PolarHBondContact O-N 3.22Å; Q787-Q790 PolarHBondContact O-N 2.99Å; Q790-I792 VanDerWaalsContact C-N 3.31Å; Q790-I792 PolarHBondContact O-N 3.15Å; Q790-I793 PolarHBondContact O-N 3.42Å; Q790-E794 HydrophobicContact CG-CG 4.4Å; Q790-E794 WeakPolarHBondContact CG-OE1 3.49Å; Q790-E794 PolarHBondContact NE2-OE1 3.48Å; Q790-E794 WeakPolarHBondContact O-CB 3.28Å; Q790-E794 WeakPolarHBondContact O-CG 3.44Å; Q790-E794 PolarHBondContact O-N 2.91Å; Q790-L851 HydrophobicContact CG-CD2 4.25Å; Q790-I854 HydrophobicContact CB-CD1 4.23Å
791M92Very high86.1Confident92 Ų9252.5 Ų52.545%0.45328%0.279SS..Hα-helixtrans-58.5-41.4176.8-178.9-170.871.100112.4F727 Q787 T788 I789 N795F727-M791 HydrophobicContact CD1-CE 4.4Å; F727-M791 HydrophobicContact CE1-CE 4.37Å; Q787-M791 WeakPolarHBondContact O-CB 3.45Å; Q787-M791 PolarHBondContact O-N 2.81Å; T788-M791 PolarHBondContact O-N 3.05Å; I789-M791 PolarHBondContact O-N 3.48Å; M791-N795 WeakPolarHBondContact O-CB 3.45Å; M791-N795 PolarHBondContact O-N 2.78Å; M791-N795 VanDerWaalsContact O-N 3.14Å; M791-N795 PolarHBondContact O-ND2 3.39Å
792I93.5Very high87.9Confident3 Ų349.3 Ų49.32%0.01526%0.259CS..Hα-helixtrans-63.5-48177.8-69.1165.5000110.1L723 F727 L767 T788 I789 Q790 N795 V796L723-I792 HydrophobicContact CD1-CD1 3.72Å; L723-I792 HydrophobicContact CD2-CD1 3.91Å; L723-I792 HydrophobicContact CG-CD1 3.69Å; F727-I792 HydrophobicContact CB-CD1 4.23Å; F727-I792 HydrophobicContact CB-CG1 4.18Å; F727-I792 HydrophobicContact CD1-CG1 4.38Å; F727-I792 HydrophobicContact CD2-CB 4.2Å; F727-I792 HydrophobicContact CD2-CD1 4.49Å; F727-I792 HydrophobicContact CD2-CG1 3.68Å; F727-I792 HydrophobicContact CD2-CG2 3.9Å; F727-I792 HydrophobicContact CE2-CB 4.34Å; F727-I792 HydrophobicContact CE2-CG1 4.15Å; F727-I792 HydrophobicContact CE2-CG2 4.15Å; F727-I792 HydrophobicContact CG-CD1 4.4Å; F727-I792 HydrophobicContact CG-CG1 3.8Å; L767-I792 HydrophobicContact CB-CG2 4.45Å; L767-I792 HydrophobicContact CD1-CG2 4.48Å; L767-I792 HydrophobicContact CD2-CG2 4.36Å; T788-I792 WeakPolarHBondContact O-CG1 3.42Å; T788-I792 PolarHBondContact O-N 3.22Å; I789-I792 PolarHBondContact O-N 3.11Å; Q790-I792 VanDerWaalsContact C-N 3.31Å; Q790-I792 PolarHBondContact O-N 3.15Å; I792-N795 PolarHBondContact O-N 3.42Å; I792-V796 HydrophobicContact CG2-CG2 4.25Å; I792-V796 VanDerWaalsContact O-CG2 3.31Å; I792-V796 WeakPolarHBondContact O-CG2 3.47Å; I792-V796 PolarHBondContact O-N 2.72Å
793I93.6Very high89.3Confident0 Ų046.9 Ų46.90%024%0.242CC..Hα-helixtrans-68.3-38.7-176.9-66.2-68.3000112I768 I789 Q790 N795 V796 L797 C847 L850 L851I768-I793 HydrophobicContact CG1-CD1 4.46Å; I789-I793 HydrophobicContact CG2-CG1 4.26Å; I789-I793 WeakPolarHBondContact O-CG1 3.44Å; I789-I793 PolarHBondContact O-N 3Å; Q790-I793 PolarHBondContact O-N 3.42Å; I793-N795 VanDerWaalsContact C-N 3.32Å; I793-N795 PolarHBondContact O-N 3.32Å; I793-V796 PolarHBondContact O-N 3.46Å; I793-L797 WeakPolarHBondContact O-CB 3.04Å; I793-L797 PolarHBondContact O-N 2.94Å; I793-C847 HydrophobicContact CG2-CB 3.84Å; I793-L850 HydrophobicContact CD1-CD1 4.36Å; I793-L850 HydrophobicContact CD1-CD2 4.46Å; I793-L850 HydrophobicContact CG1-CD2 3.91Å; I793-L851 HydrophobicContact CB-CD2 4.27Å; I793-L851 HydrophobicContact CG2-CD1 4.07Å; I793-L851 HydrophobicContact CG2-CD2 3.81Å; I793-L851 HydrophobicContact CG2-CG 3.59Å
794E92.7Very high90.6Very high84 Ų8442.2 Ų42.239%0.39321%0.214SC..Hα-helixtrans-61.2-41.6173.6-73.2175.3-177.900111.2Q790 N798 L851Q790-E794 HydrophobicContact CG-CG 4.4Å; Q790-E794 WeakPolarHBondContact CG-OE1 3.49Å; Q790-E794 PolarHBondContact NE2-OE1 3.48Å; Q790-E794 WeakPolarHBondContact O-CB 3.28Å; Q790-E794 WeakPolarHBondContact O-CG 3.44Å; Q790-E794 PolarHBondContact O-N 2.91Å; E794-N798 PolarHBondContact O-N 2.69Å; E794-N798 PolarHBondContact O-ND2 3.26Å; E794-L851 HydrophobicContact CG-CD2 3.96Å
795N95.4Very high91.3Very high47 Ų4740.9 Ų40.925%0.25121%0.207SC..Hα-helixtrans-67.1-47.3175.5-77.2-50.3000112.5F727 M791 I792 I793 L797 N798 W799F727-N795 HydrophobicContact CE2-CB 4.11Å; F727-N795 HydrophobicContact CZ-CB 3.73Å; F727-N795 WeakPolarHBondContact CZ-ND2 3.41Å; M791-N795 WeakPolarHBondContact O-CB 3.45Å; M791-N795 PolarHBondContact O-N 2.78Å; M791-N795 VanDerWaalsContact O-N 3.14Å; M791-N795 PolarHBondContact O-ND2 3.39Å; I792-N795 PolarHBondContact O-N 3.42Å; I793-N795 VanDerWaalsContact C-N 3.32Å; I793-N795 PolarHBondContact O-N 3.32Å; N795-L797 VanDerWaalsContact C-N 3.3Å; N795-L797 PolarHBondContact O-N 3.36Å; N795-N798 WeakPolarHBondContact O-CB 3.35Å; N795-N798 PolarHBondContact O-N 2.78Å; N795-N798 VanDerWaalsContact O-N 3.14Å; N795-W799 HydrophobicContact CB-CZ2 4.44Å; N795-W799 PolarHBondContact O-N 2.87Å; N795-W799 PolarHBondContact O-NE1 3.06Å
796V95.6Very high91.9Very high0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-62.7-39.5178.6173.90000110.8I764 L767 I768 I792 I793 N798 W799 C800I764-V796 HydrophobicContact CG2-CG1 4.12Å; L767-V796 HydrophobicContact CB-CG2 4.28Å; L767-V796 HydrophobicContact CD1-CG2 3.78Å; I768-V796 HydrophobicContact CD1-CG1 3.93Å; I768-V796 HydrophobicContact CG1-CG1 4.06Å; I792-V796 HydrophobicContact CG2-CG2 4.25Å; I792-V796 VanDerWaalsContact O-CG2 3.31Å; I792-V796 WeakPolarHBondContact O-CG2 3.47Å; I792-V796 PolarHBondContact O-N 2.72Å; I793-V796 PolarHBondContact O-N 3.46Å; V796-N798 VanDerWaalsContact C-N 3.34Å; V796-N798 PolarHBondContact O-N 3.34Å; V796-W799 HydrophobicContact CB-CE3 4.5Å; V796-W799 HydrophobicContact CG2-CE3 4.02Å; V796-W799 HydrophobicContact CG2-CZ3 3.96Å; V796-W799 WeakPolarHBondContact O-CB 2.95Å; V796-W799 PolarHBondContact O-N 3.41Å; V796-C800 PolarHBondContact O-N 2.98Å; V796-C800 PolarHBondContact O-SG 3.48Å; V796-C800 VanDerWaalsContact O-SG 3.32Å
797L94.1Very high92.2Very high26 Ų2637.7 Ų37.714%0.13619%0.191CC..Hα-helixtrans-61.1-43.3173.8-179.760.3000111.3I793 N795 W799 C800 C801 C847 I848 L851I793-L797 WeakPolarHBondContact O-CB 3.04Å; I793-L797 PolarHBondContact O-N 2.94Å; N795-L797 VanDerWaalsContact C-N 3.3Å; N795-L797 PolarHBondContact O-N 3.36Å; L797-W799 VanDerWaalsContact C-N 3.34Å; L797-W799 PolarHBondContact O-N 2.92Å; L797-C800 PolarHBondContact O-N 3.45Å; L797-C801 PolarHBondContact O-N 2.88Å; L797-C801 PolarHBondContact O-SG 3.2Å; L797-C847 HydrophobicContact CB-CB 4.06Å; L797-C847 HydrophobicContact CD1-CB 4.05Å; L797-C847 HydrophobicContact CG-CB 4.49Å; L797-I848 HydrophobicContact CD1-CG1 4.19Å; L797-I848 HydrophobicContact CD2-CG1 4.24Å; L797-L851 HydrophobicContact CD2-CD1 3.76Å
798N94Very high92.4Very high90 Ų9032.5 Ų32.548%0.48117%0.168SC..Hα-helixtrans-60.9-42.6174.3-70.9-21.5000111.8E794 N795 V796 C800 C801 E802E794-N798 PolarHBondContact O-N 2.69Å; E794-N798 PolarHBondContact O-ND2 3.26Å; N795-N798 WeakPolarHBondContact O-CB 3.35Å; N795-N798 PolarHBondContact O-N 2.78Å; N795-N798 VanDerWaalsContact O-N 3.14Å; V796-N798 VanDerWaalsContact C-N 3.34Å; V796-N798 PolarHBondContact O-N 3.34Å; N798-C800 VanDerWaalsContact C-N 3.34Å; N798-C800 PolarHBondContact O-N 3.32Å; N798-C801 PolarHBondContact O-N 2.94Å; N798-E802 PolarHBondContact O-N 3.41Å
799W96.6Very high92.4Very high10 Ų1037 Ų374%0.03818%0.183CC..Hα-helixtrans-59.9-45.3175.1-55.7-12.4000111.1F727 A730 Q731 W734 L767 N795 V796 L797 E802 L803F727-W799 HydrophobicContact CD2-CH2 4.45Å; F727-W799 AromaticContact CE2-CH2 3.78Å; F727-W799 HydrophobicContact CE2-CH2 3.78Å; F727-W799 AromaticContact CE2-CZ2 3.99Å; F727-W799 HydrophobicContact CE2-CZ2 3.99Å; F727-W799 HydrophobicContact CZ-CH2 4.38Å; F727-W799 HydrophobicContact CZ-CZ2 4.17Å; A730-W799 HydrophobicContact CB-CH2 4.26Å; A730-W799 HydrophobicContact CB-CZ3 4.43Å; Q731-W799 HydrophobicContact CB-CH2 4.39Å; Q731-W799 HydrophobicContact CB-CZ2 4.21Å; Q731-W799 HydrophobicContact CG-CZ2 4.3Å; W734-W799 HydrophobicContact CB-CD2 4.12Å; W734-W799 HydrophobicContact CB-CE3 4.34Å; W734-W799 HydrophobicContact CB-CH2 4.27Å; W734-W799 HydrophobicContact CB-CZ2 4.04Å; W734-W799 HydrophobicContact CB-CZ3 4.41Å; W734-W799 AromaticContact CD1-CD1 3.64Å; W734-W799 AromaticContact CD1-CE2 3.69Å; W734-W799 AromaticContact CD1-NE1 3.29Å; W734-W799 VanDerWaalsContact CD1-NE1 3.29Å; W734-W799 HydrophobicContact CD2-CB 4.06Å; W734-W799 AromaticContact CD2-CD1 3.63Å; W734-W799 AromaticContact CD2-CD2 3.95Å; W734-W799 HydrophobicContact CD2-CD2 3.95Å; W734-W799 AromaticContact CD2-CG 3.61Å; W734-W799 HydrophobicContact CD2-CG 3.61Å; W734-W799 AromaticContact CD2-NE1 4Å; W734-W799 AromaticContact CE2-CD1 3.31Å; W734-W799 AromaticContact CE2-CG 3.71Å; W734-W799 AromaticContact CE2-NE1 3.85Å; W734-W799 HydrophobicContact CE3-CB 3.94Å; W734-W799 HydrophobicContact CE3-CD2 4.38Å; W734-W799 AromaticContact CE3-CG 3.98Å; W734-W799 HydrophobicContact CE3-CG 3.98Å; W734-W799 AromaticContact CG-CD1 3.81Å; W734-W799 AromaticContact CG-CD2 3.82Å; W734-W799 HydrophobicContact CG-CD2 3.82Å; W734-W799 AromaticContact CG-CE2 3.64Å; W734-W799 HydrophobicContact CG-CE3 4.48Å; W734-W799 AromaticContact CG-CG 3.95Å; W734-W799 HydrophobicContact CG-CG 3.95Å; W734-W799 HydrophobicContact CG-CZ2 4.18Å; W734-W799 AromaticContact CG-NE1 3.64Å; W734-W799 HydrophobicContact CH2-CB 3.97Å; W734-W799 HydrophobicContact CH2-CG 4.43Å; W734-W799 HydrophobicContact CZ2-CB 4.08Å; W734-W799 AromaticContact CZ2-CD1 3.79Å; W734-W799 HydrophobicContact CZ2-CG 4.1Å; W734-W799 HydrophobicContact CZ3-CB 3.91Å; W734-W799 HydrophobicContact CZ3-CG 4.38Å; W734-W799 AromaticContact NE1-CD1 3.32Å; W734-W799 VanDerWaalsContact NE1-CD1 3.32Å; W734-W799 AromaticContact NE1-NE1 3.41Å; L767-W799 HydrophobicContact CD1-CH2 4.46Å; L767-W799 HydrophobicContact CD1-CZ3 4.06Å; N795-W799 HydrophobicContact CB-CZ2 4.44Å; N795-W799 PolarHBondContact O-N 2.87Å; N795-W799 PolarHBondContact O-NE1 3.06Å; V796-W799 HydrophobicContact CB-CE3 4.5Å; V796-W799 HydrophobicContact CG2-CE3 4.02Å; V796-W799 HydrophobicContact CG2-CZ3 3.96Å; V796-W799 WeakPolarHBondContact O-CB 2.95Å; V796-W799 PolarHBondContact O-N 3.41Å; L797-W799 VanDerWaalsContact C-N 3.34Å; L797-W799 PolarHBondContact O-N 2.92Å; W799-E802 PolarHBondContact O-N 3.42Å; W799-L803 WeakPolarHBondContact O-CB 3Å; W799-L803 VanDerWaalsContact O-CG 3.28Å; W799-L803 WeakPolarHBondContact O-CG 3.47Å; W799-L803 PolarHBondContact O-N 3.18Å
800C94.9Very high92.2Very high0 Ų040.5 Ų40.50%020%0.198CC..Hα-helixtrans-62.2-44.2176.7-67.30000111.8V796 L797 N798 E802 L803 E804 V840 S843V796-C800 PolarHBondContact O-N 2.98Å; V796-C800 PolarHBondContact O-SG 3.48Å; V796-C800 VanDerWaalsContact O-SG 3.32Å; L797-C800 PolarHBondContact O-N 3.45Å; N798-C800 VanDerWaalsContact C-N 3.34Å; N798-C800 PolarHBondContact O-N 3.32Å; C800-E802 PolarHBondContact O-N 3.29Å; C800-L803 PolarHBondContact O-N 3.24Å; C800-E804 VanDerWaalsContact O-CB 3.29Å; C800-E804 WeakPolarHBondContact O-CB 3.5Å; C800-E804 VanDerWaalsContact O-CG 3.23Å; C800-E804 WeakPolarHBondContact O-CG 3.15Å; C800-E804 PolarHBondContact O-N 2.96Å; C800-V840 HydrophobicContact CB-CG1 4.15Å; C800-S843 PolarHBondContact SG-OG 3.42Å
801C92.5Very high91.8Very high29 Ų2938 Ų3820%0.19619%0.187CC..Hα-helixtrans-61.5-40.4176.6-70.90000112.5L797 N798 N805L797-C801 PolarHBondContact O-N 2.88Å; L797-C801 PolarHBondContact O-SG 3.2Å; N798-C801 PolarHBondContact O-N 2.94Å; C801-N805 VanDerWaalsContact O-CG 3.31Å; C801-N805 PolarHBondContact O-N 2.81Å; C801-N805 PolarHBondContact O-ND2 3.46Å
802E92.9Very high91.3Very high82 Ų8238.8 Ų38.838%0.38319%0.19SC..Hα-helixtrans-68.2-40.1175.2-74.1-172.7-164.500112.3W734 H738 N798 W799 C800 N805 H806W734-E802 HydrophobicContact CH2-CB 3.97Å; W734-E802 HydrophobicContact CZ2-CB 4.22Å; W734-E802 VanDerWaalsContact CZ2-OE2 3.27Å; W734-E802 WeakPolarHBondContact CZ2-OE2 3.46Å; H738-E802 IonicContact CD2-OE2 3.39Å; H738-E802 PolarHBondContact CD2-OE2 3.29Å; H738-E802 IonicContact NE2-OE2 3.26Å; H738-E802 PolarHBondContact NE2-OE2 2.82Å; N798-E802 PolarHBondContact O-N 3.41Å; W799-E802 PolarHBondContact O-N 3.42Å; C800-E802 PolarHBondContact O-N 3.29Å; E802-N805 WeakPolarHBondContact O-CB 3.3Å; E802-N805 PolarHBondContact O-N 3.5Å; E802-H806 PolarHBondContact O-N 3.01Å
803L94.6Very high90.1Very high0 Ų041.6 Ų41.60%021%0.21CC..Hα-helixtrans-65.9-40.2174.3-74168.3000112.1W734 Y737 I742 L760 I764 W799 C800 N805 H806 I807 L836 V840W734-L803 HydrophobicContact CH2-CG 4.14Å; W734-L803 HydrophobicContact CZ3-CD1 3.91Å; W734-L803 HydrophobicContact CZ3-CD2 4.08Å; W734-L803 HydrophobicContact CZ3-CG 3.76Å; Y737-L803 HydrophobicContact CD1-CD2 4.31Å; Y737-L803 HydrophobicContact CE1-CD2 3.46Å; Y737-L803 VanDerWaalsContact CE1-CD2 3.46Å; I742-L803 HydrophobicContact CD1-CD2 4.23Å; L760-L803 HydrophobicContact CD2-CD1 4.16Å; L760-L803 HydrophobicContact CD2-CD2 4.48Å; I764-L803 HydrophobicContact CD1-CD1 3.68Å; W799-L803 WeakPolarHBondContact O-CB 3Å; W799-L803 VanDerWaalsContact O-CG 3.28Å; W799-L803 WeakPolarHBondContact O-CG 3.47Å; W799-L803 PolarHBondContact O-N 3.18Å; C800-L803 PolarHBondContact O-N 3.24Å; L803-N805 VanDerWaalsContact C-N 3.31Å; L803-N805 PolarHBondContact O-N 2.95Å; L803-H806 WeakPolarHBondContact O-CB 3.16Å; L803-H806 PolarHBondContact O-N 2.79Å; L803-I807 WeakPolarHBondContact O-CB 3.5Å; L803-I807 WeakPolarHBondContact O-CD1 3.35Å; L803-I807 WeakPolarHBondContact O-CG1 3.38Å; L803-I807 PolarHBondContact O-N 3.08Å; L803-L836 HydrophobicContact CD1-CD1 4.4Å; L803-L836 HydrophobicContact CD2-CD2 4.4Å; L803-V840 HydrophobicContact CB-CG1 3.91Å; L803-V840 HydrophobicContact CB-CG2 4.04Å; L803-V840 HydrophobicContact CD1-CG2 3.58Å; L803-V840 HydrophobicContact CG-CG2 4.42Å
804E93.3Very high88.6Confident1 Ų142.8 Ų42.81%0.00522%0.216CC..Hα-helixtrans-57.9-44.6172.9-81.3174.1-178.700110.7C800 I807 S808 V840 S844 H869 S873 L874 I877C800-E804 VanDerWaalsContact O-CB 3.29Å; C800-E804 WeakPolarHBondContact O-CB 3.5Å; C800-E804 VanDerWaalsContact O-CG 3.23Å; C800-E804 WeakPolarHBondContact O-CG 3.15Å; C800-E804 PolarHBondContact O-N 2.96Å; E804-I807 PolarHBondContact O-N 2.88Å; E804-S808 WeakPolarHBondContact O-CB 3.06Å; E804-S808 PolarHBondContact O-N 3.18Å; E804-V840 HydrophobicContact CG-CG1 3.74Å; E804-S844 WeakPolarHBondContact OE1-CB 3.35Å; E804-S844 PolarHBondContact OE1-OG 2.87Å; E804-H869 IonicContact OE1-CE1 3.55Å; E804-H869 IonicContact OE1-NE2 2.67Å; E804-H869 PolarHBondContact OE1-NE2 3.42Å; E804-H869 IonicContact OE2-CE1 3.32Å; E804-H869 PolarHBondContact OE2-CE1 2.89Å; E804-H869 IonicContact OE2-NE2 2.86Å; E804-H869 PolarHBondContact OE2-NE2 3.1Å; E804-S873 WeakPolarHBondContact OE2-CB 3.36Å; E804-L874 WeakPolarHBondContact OE1-CD2 3.43Å; E804-I877 HydrophobicContact CB-CD1 3.61Å; E804-I877 HydrophobicContact CG-CD1 3.77Å; E804-I877 WeakPolarHBondContact O-CD1 3.49Å
805N90.3Very high87Confident83 Ų8341.8 Ų41.844%0.44421%0.213SC..Hα-helixtrans-64.3-41.1173.9-73.5-39.2000112.5C801 E802 L803 S808 K809C801-N805 VanDerWaalsContact O-CG 3.31Å; C801-N805 PolarHBondContact O-N 2.81Å; C801-N805 PolarHBondContact O-ND2 3.46Å; E802-N805 WeakPolarHBondContact O-CB 3.3Å; E802-N805 PolarHBondContact O-N 3.5Å; L803-N805 VanDerWaalsContact C-N 3.31Å; L803-N805 PolarHBondContact O-N 2.95Å; N805-S808 PolarHBondContact O-N 3.34Å; N805-K809 WeakPolarHBondContact O-CB 3.36Å; N805-K809 VanDerWaalsContact O-CG 3.3Å; N805-K809 WeakPolarHBondContact O-CG 3.47Å; N805-K809 PolarHBondContact O-N 3.25Å
806H91.3Very high84.8Confident14 Ų1446.7 Ų46.77%0.06524%0.238CC..Hα-helixtrans-63.5-46.7175.9-177.259.6000111.8F741 E802 L803 S808 K809 K810 A830F741-H806 PolarHBondContact O-CE1 3.46Å; E802-H806 PolarHBondContact O-N 3.01Å; L803-H806 WeakPolarHBondContact O-CB 3.16Å; L803-H806 PolarHBondContact O-N 2.79Å; H806-S808 VanDerWaalsContact C-N 3.35Å; H806-S808 PolarHBondContact O-N 2.8Å; H806-K809 PolarHBondContact O-N 3.44Å; H806-K810 WeakPolarHBondContact O-CB 3.16Å; H806-K810 WeakPolarHBondContact O-CG 3.26Å; H806-K810 PolarHBondContact O-N 3.4Å; H806-A830 PolarHBondContact NE2-O 3.3Å
807I89.6Confident82.6Confident0 Ų048.8 Ų48.80%025%0.25CS..Hα-helixtrans-57.4-48.8174.6-69.4161.7000109.8L803 E804 K809 K810 L811 L832 M837 V840L803-I807 WeakPolarHBondContact O-CB 3.5Å; L803-I807 WeakPolarHBondContact O-CD1 3.35Å; L803-I807 WeakPolarHBondContact O-CG1 3.38Å; L803-I807 PolarHBondContact O-N 3.08Å; E804-I807 PolarHBondContact O-N 2.88Å; I807-K809 PolarHBondContact O-N 3.22Å; I807-K810 PolarHBondContact O-N 3.21Å; I807-L811 HydrophobicContact CG2-CD1 3.61Å; I807-L811 HydrophobicContact CG2-CG 4.13Å; I807-L811 WeakPolarHBondContact O-CB 3.36Å; I807-L811 VanDerWaalsContact O-CG 3.28Å; I807-L811 WeakPolarHBondContact O-CG 3.2Å; I807-L811 PolarHBondContact O-N 3.02Å; I807-L832 HydrophobicContact CG1-CD1 4.09Å; I807-L832 HydrophobicContact CG1-CD2 3.76Å; I807-M837 HydrophobicContact CD1-CB 4.37Å; I807-M837 HydrophobicContact CD1-CG 3.88Å; I807-M837 HydrophobicContact CG1-CG 4.11Å; I807-M837 HydrophobicContact CG2-CE 4Å; I807-M837 HydrophobicContact CG2-CG 4.45Å; I807-V840 HydrophobicContact CD1-CG1 4.32Å
808S88.5Confident80.4Confident13 Ų1353.4 Ų53.49%0.09128%0.282CS..Hα-helixtrans-59.2-48.3179.4-169.10000111.8E804 N805 H806 K810 Q812E804-S808 WeakPolarHBondContact O-CB 3.06Å; E804-S808 PolarHBondContact O-N 3.18Å; N805-S808 PolarHBondContact O-N 3.34Å; H806-S808 VanDerWaalsContact C-N 3.35Å; H806-S808 PolarHBondContact O-N 2.8Å; S808-K810 PolarHBondContact O-N 3.45Å; S808-Q812 WeakPolarHBondContact O-CB 3.28Å; S808-Q812 WeakPolarHBondContact O-CG 3.16Å; S808-Q812 PolarHBondContact O-N 3.38Å
809K85.9Confident78.7Confident149 Ų14952.5 Ų52.565%0.64828%0.279SS*.Hα-helixtrans-60.4-44.2178.2-74.1174.6-178.1179.60112.5N805 H806 I807 S813N805-K809 WeakPolarHBondContact O-CB 3.36Å; N805-K809 VanDerWaalsContact O-CG 3.3Å; N805-K809 WeakPolarHBondContact O-CG 3.47Å; N805-K809 PolarHBondContact O-N 3.25Å; H806-K809 PolarHBondContact O-N 3.44Å; I807-K809 PolarHBondContact O-N 3.22Å; K809-S813 PolarHBondContact O-N 3.21Å; K809-S813 VanDerWaalsContact O-N 3.12Å; K809-S813 PolarHBondContact O-OG 2.96Å
810K84.8Confident77Confident75 Ų7555.4 Ų55.433%0.32629%0.29SS..Hα-helixtrans-74.2-39.4-177.2-68.8-66.1-176.3-179.20113.1H806 I807 S808 Q812 S813 N814 A830 L832H806-K810 WeakPolarHBondContact O-CB 3.16Å; H806-K810 WeakPolarHBondContact O-CG 3.26Å; H806-K810 PolarHBondContact O-N 3.4Å; I807-K810 PolarHBondContact O-N 3.21Å; S808-K810 PolarHBondContact O-N 3.45Å; K810-Q812 VanDerWaalsContact C-N 3.32Å; K810-S813 PolarHBondContact O-N 3.28Å; K810-S813 PolarHBondContact O-OG 3.41Å; K810-N814 WeakPolarHBondContact O-CB 3.44Å; K810-N814 VanDerWaalsContact O-CG 3.25Å; K810-N814 PolarHBondContact O-N 3.09Å; K810-N814 VanDerWaalsContact O-N 3.15Å; K810-N814 PolarHBondContact O-OD1 3.29Å; K810-A830 HydrophobicContact CD-CB 3.86Å; K810-A830 HydrophobicContact CG-CB 3.98Å; K810-L832 HydrophobicContact CB-CD1 4.01Å; K810-L832 HydrophobicContact CG-CD1 4.24Å
811L82.2Confident75.4Confident1 Ų158.9 Ų58.91%0.00531%0.306CS..Hα-helixtrans-64.7-39.7173-70.4179.2000110.8I807 N814 L815 F823 L827 M837 L880 F882I807-L811 HydrophobicContact CG2-CD1 3.61Å; I807-L811 HydrophobicContact CG2-CG 4.13Å; I807-L811 WeakPolarHBondContact O-CB 3.36Å; I807-L811 VanDerWaalsContact O-CG 3.28Å; I807-L811 WeakPolarHBondContact O-CG 3.2Å; I807-L811 PolarHBondContact O-N 3.02Å; L811-N814 PolarHBondContact O-N 2.89Å; L811-L815 WeakPolarHBondContact O-CG 3.29Å; L811-L815 PolarHBondContact O-N 3.29Å; L811-F823 HydrophobicContact CD2-CE2 3.9Å; L811-F823 HydrophobicContact CD2-CZ 3.5Å; L811-F823 VanDerWaalsContact CD2-CZ 3.5Å; L811-L827 HydrophobicContact CD2-CD2 4.29Å; L811-M837 HydrophobicContact CD1-CE 3.98Å; L811-L880 HydrophobicContact CB-CD1 3.59Å; L811-L880 HydrophobicContact CD1-CD1 3.99Å; L811-L880 HydrophobicContact CG-CD1 4.46Å; L811-F882 HydrophobicContact CD1-CD1 3.81Å; L811-F882 HydrophobicContact CD1-CE1 4.25Å; L811-F882 HydrophobicContact CD1-CG 4.24Å; L811-F882 HydrophobicContact CD2-CD1 4.05Å; L811-F882 HydrophobicContact CD2-CD2 3.96Å; L811-F882 HydrophobicContact CD2-CE1 4.25Å; L811-F882 HydrophobicContact CD2-CE2 4.19Å; L811-F882 HydrophobicContact CD2-CG 3.89Å; L811-F882 HydrophobicContact CD2-CZ 4.31Å
812Q80.5Confident74.2Confident108 Ų10859.4 Ų59.451%0.50531%0.31SS..Hα-helixtrans-62.5-41.6175.7-77176.31.400113.2S808 K810 L880S808-Q812 WeakPolarHBondContact O-CB 3.28Å; S808-Q812 WeakPolarHBondContact O-CG 3.16Å; S808-Q812 PolarHBondContact O-N 3.38Å; K810-Q812 VanDerWaalsContact C-N 3.32Å; Q812-L880 HydrophobicContact CG-CD1 4.37Å; Q812-L880 HydrophobicContact CG-CD2 3.39Å
813S69.5Low73.1Confident62 Ų6255.8 Ų55.843%0.43429%0.294SS..Hα-helixtrans-69-34.7179.661.20000113.2K809 K810K809-S813 PolarHBondContact O-N 3.21Å; K809-S813 VanDerWaalsContact O-N 3.12Å; K809-S813 PolarHBondContact O-OG 2.96Å; K810-S813 PolarHBondContact O-N 3.28Å; K810-S813 PolarHBondContact O-OG 3.41Å
814N62Low72.1Confident24 Ų2456.9 Ų56.913%0.12830%0.299CS..Hα-helixtrans-89.1-5.2-171.1-64.42.3000113.8K810 L811 I816 T817 F823 D826K810-N814 WeakPolarHBondContact O-CB 3.44Å; K810-N814 VanDerWaalsContact O-CG 3.25Å; K810-N814 PolarHBondContact O-N 3.09Å; K810-N814 VanDerWaalsContact O-N 3.15Å; K810-N814 PolarHBondContact O-OD1 3.29Å; L811-N814 PolarHBondContact O-N 2.89Å; N814-I816 PolarHBondContact O-N 2.94Å; N814-T817 PolarHBondContact O-N 3.45Å; N814-T817 PolarHBondContact O-OG1 3.22Å; N814-F823 HydrophobicContact CB-CD2 3.98Å; N814-F823 HydrophobicContact CB-CE2 4.06Å; N814-D826 WeakPolarHBondContact ND2-CB 3.2Å
815L57.9Low71.2Confident64 Ų6462.9 Ų62.934%0.33533%0.325SS..THydrogen-bonded Turntrans-59.9-10.1175.4-78.5165000114.3L811 P881L811-L815 WeakPolarHBondContact O-CG 3.29Å; L811-L815 PolarHBondContact O-N 3.29Å; L815-P881 HydrophobicContact CD1-CG 3.72Å; L815-P881 HydrophobicContact CD2-CG 3.71Å; L815-P881 HydrophobicContact CG-CG 4.35Å
816I50Low70.6Confident150 Ų15060.9 Ų60.977%0.76931%0.314SS*.THydrogen-bonded Turntrans-84.6-15.5177.7-53.8173.2000111.5N814 P818N814-I816 PolarHBondContact O-N 2.94Å; I816-P818 WeakPolarHBondContact O-CD 3.34Å
817T50.2Low70Confident43 Ų4360.4 Ų60.426%0.26431%0.312SS..  trans-72.2116.5-178.257.10000111N814 V819 D826N814-T817 PolarHBondContact O-N 3.45Å; N814-T817 PolarHBondContact O-OG1 3.22Å; T817-V819 PolarHBondContact O-N 3.44Å; T817-D826 WeakPolarHBondContact CG2-OD2 3.31Å
818P47.5Very low69.5Low124 Ų12461 Ų6181%0.80532%0.316SS*.SBendtrans-74.7-14-178.528.4-31.9000113.3I816I816-P818 WeakPolarHBondContact O-CD 3.34Å
819V57.3Low69.1Low70 Ų7064.7 Ų64.742%0.42433%0.332SS..  trans-118.8111.5-174.6-174.40000109.9T817 E821 S822T817-V819 PolarHBondContact O-N 3.44Å; V819-E821 HydrophobicContact CG1-CB 4.1Å; V819-E821 HydrophobicContact CG1-CG 4.36Å; V819-E821 PolarHBondContact O-N 3.07Å; V819-E821 VanDerWaalsContact O-N 3.08Å; V819-S822 WeakPolarHBondContact O-CB 3.26Å; V819-S822 PolarHBondContact O-N 3.07Å; V819-S822 PolarHBondContact O-OG 2.83Å
820W61.7Low69Low72 Ų7258 Ų5827%0.27330%0.304SS..Hα-helixtrans-57.2-25-178.6-7099.1000115.5S822 F823 E824 F882 Q885W820-S822 PolarHBondContact O-N 3.47Å; W820-F823 HydrophobicContact CE3-CB 4.3Å; W820-F823 HydrophobicContact CE3-CD1 4.09Å; W820-F823 HydrophobicContact CE3-CG 4.22Å; W820-F823 HydrophobicContact CZ3-CD1 4.19Å; W820-F823 HydrophobicContact CZ3-CE1 4.44Å; W820-F823 HydrophobicContact CZ3-CG 4.35Å; W820-F823 VanDerWaalsContact O-CB 3.31Å; W820-F823 WeakPolarHBondContact O-CB 3.35Å; W820-F823 PolarHBondContact O-N 3.47Å; W820-F823 VanDerWaalsContact O-N 3.08Å; W820-E824 PolarHBondContact O-N 3.23Å; W820-F882 HydrophobicContact CZ3-CD2 4.28Å; W820-F882 HydrophobicContact CZ3-CE2 4.3Å; W820-Q885 HydrophobicContact CH2-CB 3.42Å; W820-Q885 VanDerWaalsContact CH2-CB 3.42Å; W820-Q885 HydrophobicContact CH2-CG 4.25Å; W820-Q885 HydrophobicContact CZ2-CB 3.38Å; W820-Q885 HydrophobicContact CZ2-CG 4Å; W820-Q885 VanDerWaalsContact CZ2-OE1 3.29Å
821E61.8Low69Low72 Ų7254.5 Ų54.534%0.33629%0.289SS..Hα-helixtrans-64.1-33.1175.6-59.7178168.800111.6V819 F823 K978V819-E821 HydrophobicContact CG1-CB 4.1Å; V819-E821 HydrophobicContact CG1-CG 4.36Å; V819-E821 PolarHBondContact O-N 3.07Å; V819-E821 VanDerWaalsContact O-N 3.08Å; E821-F823 VanDerWaalsContact C-N 3.34Å; E821-K978 WeakPolarHBondContact OE1-CE 3.18Å; E821-K978 IonicContact OE1-NZ 3.96Å; E821-K978 PolarHBondContact OE1-NZ 3.26Å
822S65.9Low69.2Low40 Ų4054.5 Ų54.528%0.2829%0.289SS..Hα-helixtrans-69.3-34.3171.4630000111.9V819 W820 E824 K825 D826V819-S822 WeakPolarHBondContact O-CB 3.26Å; V819-S822 PolarHBondContact O-N 3.07Å; V819-S822 PolarHBondContact O-OG 2.83Å; W820-S822 PolarHBondContact O-N 3.47Å; S822-E824 PolarHBondContact O-N 2.96Å; S822-K825 WeakPolarHBondContact O-CB 3.23Å; S822-K825 PolarHBondContact O-N 2.61Å; S822-D826 WeakPolarHBondContact O-CB 3.26Å; S822-D826 PolarHBondContact O-N 3.47Å
823F71Confident69.4Low7 Ų749.7 Ų49.73%0.03127%0.267CS..Hα-helixtrans-63.4-41.5-178.3177.6-94.7000113.4L811 N814 W820 E821 K825 D826 L827 F882L811-F823 HydrophobicContact CD2-CE2 3.9Å; L811-F823 HydrophobicContact CD2-CZ 3.5Å; L811-F823 VanDerWaalsContact CD2-CZ 3.5Å; N814-F823 HydrophobicContact CB-CD2 3.98Å; N814-F823 HydrophobicContact CB-CE2 4.06Å; W820-F823 HydrophobicContact CE3-CB 4.3Å; W820-F823 HydrophobicContact CE3-CD1 4.09Å; W820-F823 HydrophobicContact CE3-CG 4.22Å; W820-F823 HydrophobicContact CZ3-CD1 4.19Å; W820-F823 HydrophobicContact CZ3-CE1 4.44Å; W820-F823 HydrophobicContact CZ3-CG 4.35Å; W820-F823 VanDerWaalsContact O-CB 3.31Å; W820-F823 WeakPolarHBondContact O-CB 3.35Å; W820-F823 PolarHBondContact O-N 3.47Å; W820-F823 VanDerWaalsContact O-N 3.08Å; E821-F823 VanDerWaalsContact C-N 3.34Å; F823-K825 VanDerWaalsContact C-N 3.33Å; F823-K825 PolarHBondContact O-N 2.84Å; F823-D826 PolarHBondContact O-N 2.98Å; F823-L827 HydrophobicContact CD1-CD1 3.96Å; F823-L827 HydrophobicContact CD1-CG 4.24Å; F823-L827 HydrophobicContact CE1-CD1 3.27Å; F823-L827 HydrophobicContact CE1-CD2 4.39Å; F823-L827 HydrophobicContact CE1-CG 3.76Å; F823-L827 HydrophobicContact CE2-CD2 4.45Å; F823-L827 HydrophobicContact CE2-CG 4.37Å; F823-L827 HydrophobicContact CZ-CD1 3.7Å; F823-L827 HydrophobicContact CZ-CD2 3.98Å; F823-L827 HydrophobicContact CZ-CG 3.82Å; F823-L827 WeakPolarHBondContact O-CG 3.46Å; F823-L827 PolarHBondContact O-N 3.31Å; F823-F882 HydrophobicContact CD1-CE2 4.45Å; F823-F882 HydrophobicContact CE1-CD2 4.09Å; F823-F882 AromaticContact CE1-CE2 3.35Å; F823-F882 HydrophobicContact CE1-CE2 3.35Å; F823-F882 HydrophobicContact CE1-CZ 4.13Å; F823-F882 HydrophobicContact CE2-CD2 4.23Å; F823-F882 HydrophobicContact CE2-CE2 4.28Å; F823-F882 AromaticContact CZ-CD2 3.57Å; F823-F882 HydrophobicContact CZ-CD2 3.57Å; F823-F882 AromaticContact CZ-CE2 3.24Å; F823-F882 HydrophobicContact CZ-CE2 3.24Å; F823-F882 HydrophobicContact CZ-CZ 4.08Å
824E73Confident70.2Confident22 Ų2247 Ų4710%0.10325%0.248CC..Hα-helixtrans-64.1-39.9177-74.9177.1-152.400112W820 S822 L827 T828 R889 N1011 Y1014W820-E824 PolarHBondContact O-N 3.23Å; S822-E824 PolarHBondContact O-N 2.96Å; E824-L827 PolarHBondContact O-N 3.02Å; E824-T828 WeakPolarHBondContact O-CG2 3.37Å; E824-T828 PolarHBondContact O-N 2.94Å; E824-R889 IonicContact OE1-NH1 3.73Å; E824-N1011 HydrophobicContact CB-CB 4.02Å; E824-N1011 HydrophobicContact CG-CB 4.08Å; E824-N1011 PolarHBondContact O-ND2 3.32Å; E824-Y1014 PolarHBondContact OE1-OH 3.21Å
825K74.5Confident71.3Confident127 Ų12746.1 Ų46.155%0.55224%0.244SC*.Hα-helixtrans-63.8-46.8174.3-174.8-177.1172.5-1700110.6S822 F823 L827 T828 E829S822-K825 WeakPolarHBondContact O-CB 3.23Å; S822-K825 PolarHBondContact O-N 2.61Å; F823-K825 VanDerWaalsContact C-N 3.33Å; F823-K825 PolarHBondContact O-N 2.84Å; K825-L827 VanDerWaalsContact C-N 3.29Å; K825-L827 PolarHBondContact O-N 3.2Å; K825-T828 PolarHBondContact O-N 3.48Å; K825-T828 VanDerWaalsContact O-N 3.08Å; K825-T828 PolarHBondContact O-OG1 3.5Å; K825-E829 WeakPolarHBondContact CE-OE1 3.42Å; K825-E829 WeakPolarHBondContact O-CG 3.5Å; K825-E829 PolarHBondContact O-N 3.23Å
826D77.2Confident72.8Confident41 Ų4143.1 Ų43.122%0.21923%0.228CC..Hα-helixtrans-62.8-35.8178.9-62.1-17.2000112.1N814 T817 S822 F823 E829 A830N814-D826 WeakPolarHBondContact ND2-CB 3.2Å; T817-D826 WeakPolarHBondContact CG2-OD2 3.31Å; S822-D826 WeakPolarHBondContact O-CB 3.26Å; S822-D826 PolarHBondContact O-N 3.47Å; F823-D826 PolarHBondContact O-N 2.98Å; D826-E829 PolarHBondContact O-N 3.35Å; D826-A830 WeakPolarHBondContact O-CB 3.37Å; D826-A830 PolarHBondContact O-N 3.46Å
827L80.1Confident74.7Confident4 Ų436 Ų362%0.02119%0.191CC..Hα-helixtrans-63.6-46.4171.8-77.6-176.7000111.5L811 F823 E824 K825 E829 A830 G831 L832L811-L827 HydrophobicContact CD2-CD2 4.29Å; F823-L827 HydrophobicContact CD1-CD1 3.96Å; F823-L827 HydrophobicContact CD1-CG 4.24Å; F823-L827 HydrophobicContact CE1-CD1 3.27Å; F823-L827 HydrophobicContact CE1-CD2 4.39Å; F823-L827 HydrophobicContact CE1-CG 3.76Å; F823-L827 HydrophobicContact CE2-CD2 4.45Å; F823-L827 HydrophobicContact CE2-CG 4.37Å; F823-L827 HydrophobicContact CZ-CD1 3.7Å; F823-L827 HydrophobicContact CZ-CD2 3.98Å; F823-L827 HydrophobicContact CZ-CG 3.82Å; F823-L827 WeakPolarHBondContact O-CG 3.46Å; F823-L827 PolarHBondContact O-N 3.31Å; E824-L827 PolarHBondContact O-N 3.02Å; K825-L827 VanDerWaalsContact C-N 3.29Å; K825-L827 PolarHBondContact O-N 3.2Å; L827-E829 VanDerWaalsContact C-N 3.32Å; L827-E829 PolarHBondContact O-N 2.97Å; L827-A830 CarbonylContact O-C 3.5Å; L827-A830 PolarHBondContact O-N 3.38Å; L827-A830 VanDerWaalsContact O-N 3.14Å; L827-G831 PolarHBondContact O-N 3.47Å; L827-L832 CarbonylContact C-O 3.58Å; L827-L832 VanDerWaalsContact C-O 3.29Å; L827-L832 HydrophobicContact CD2-CB 4.18Å; L827-L832 HydrophobicContact CD2-CD1 4.32Å; L827-L832 PolarHBondContact O-N 3.23Å; L827-L832 VanDerWaalsContact O-O 3.04Å
828T78.7Confident76.5Confident14 Ų1433.9 Ų33.99%0.08618%0.178CC..Hα-helixtrans-60.6-43176.9600000111.6Y754 E824 K825 A830 G831 N1011Y754-T828 WeakPolarHBondContact CD1-O 3.11Å; Y754-T828 WeakPolarHBondContact CE1-O 3.48Å; E824-T828 WeakPolarHBondContact O-CG2 3.37Å; E824-T828 PolarHBondContact O-N 2.94Å; K825-T828 PolarHBondContact O-N 3.48Å; K825-T828 VanDerWaalsContact O-N 3.08Å; K825-T828 PolarHBondContact O-OG1 3.5Å; T828-A830 PolarHBondContact O-N 3.03Å; T828-G831 PolarHBondContact O-N 3.12Å; T828-N1011 WeakPolarHBondContact CG2-ND2 3.16Å
829E80.4Confident78.5Confident90 Ų9028 Ų2842%0.42114%0.14SC..Hα-helixtrans-63.6-30.6176.7-71-177.2-174.100112.2K825 D826 L827 G831K825-E829 WeakPolarHBondContact CE-OE1 3.42Å; K825-E829 WeakPolarHBondContact O-CG 3.5Å; K825-E829 PolarHBondContact O-N 3.23Å; D826-E829 PolarHBondContact O-N 3.35Å; L827-E829 VanDerWaalsContact C-N 3.32Å; L827-E829 PolarHBondContact O-N 2.97Å; E829-G831 PolarHBondContact O-N 3.14Å
830A83.2Confident80.1Confident8 Ų824.7 Ų24.77%0.06612%0.12CC..THydrogen-bonded Turntrans-78.3-0.217200000114.4H806 K810 D826 L827 T828 L832H806-A830 PolarHBondContact NE2-O 3.3Å; K810-A830 HydrophobicContact CD-CB 3.86Å; K810-A830 HydrophobicContact CG-CB 3.98Å; D826-A830 WeakPolarHBondContact O-CB 3.37Å; D826-A830 PolarHBondContact O-N 3.46Å; L827-A830 CarbonylContact O-C 3.5Å; L827-A830 PolarHBondContact O-N 3.38Å; L827-A830 VanDerWaalsContact O-N 3.14Å; T828-A830 PolarHBondContact O-N 3.03Å; A830-L832 VanDerWaalsContact C-N 3.32Å; A830-L832 HydrophobicContact CB-CD1 4.33Å; A830-L832 HydrophobicContact CB-CG 4.4Å
831G84.6Confident81.4Confident1 Ų121.3 Ų21.31%0.0111%0.107CC..THydrogen-bonded Turntrans73.421.6-176.200000113.7Y737 F741 T757 L827 T828 E829Y737-G831 WeakPolarHBondContact CE2-O 3.38Å; Y737-G831 PolarHBondContact OH-O 3.29Å; F741-G831 VanDerWaalsContact CE1-CA 3.4Å; T757-G831 WeakPolarHBondContact CG2-O 3.14Å; T757-G831 VanDerWaalsContact OG1-C 3.31Å; T757-G831 PolarHBondContact OG1-O 3.42Å; L827-G831 PolarHBondContact O-N 3.47Å; T828-G831 PolarHBondContact O-N 3.12Å; E829-G831 PolarHBondContact O-N 3.14Å
832L87.1Confident82.6Confident1 Ų118.6 Ų18.61%0.00510%0.096CC..  trans-113.4146.1-176-65.9176000111.1I807 K810 L827 A830 L836I807-L832 HydrophobicContact CG1-CD1 4.09Å; I807-L832 HydrophobicContact CG1-CD2 3.76Å; K810-L832 HydrophobicContact CB-CD1 4.01Å; K810-L832 HydrophobicContact CG-CD1 4.24Å; L827-L832 CarbonylContact C-O 3.58Å; L827-L832 VanDerWaalsContact C-O 3.29Å; L827-L832 HydrophobicContact CD2-CB 4.18Å; L827-L832 HydrophobicContact CD2-CD1 4.32Å; L827-L832 PolarHBondContact O-N 3.23Å; L827-L832 VanDerWaalsContact O-O 3.04Å; A830-L832 VanDerWaalsContact C-N 3.32Å; A830-L832 HydrophobicContact CB-CD1 4.33Å; A830-L832 HydrophobicContact CB-CG 4.4Å; L832-L836 HydrophobicContact CD2-CD2 4.06Å
833N84.3Confident83.8Confident8 Ų816.9 Ų16.94%0.0438%0.084CC..  trans-143.2166.4169.666.26.4000110.9T757 S835 L836 M837 M1010 N1011T757-N833 HydrophobicContact CG2-CB 4.24Å; N833-S835 PolarHBondContact ND2-OG 2.83Å; N833-S835 VanDerWaalsContact ND2-OG 3.13Å; N833-S835 PolarHBondContact O-N 2.95Å; N833-S835 PolarHBondContact OD1-OG 3.15Å; N833-L836 PolarHBondContact O-N 2.84Å; N833-L836 WeakPolarHBondContact OD1-CA 3.47Å; N833-L836 WeakPolarHBondContact OD1-CB 3.49Å; N833-L836 PolarHBondContact OD1-N 3.03Å; N833-M837 WeakPolarHBondContact O-CG 3.35Å; N833-M837 PolarHBondContact O-N 3.21Å; N833-M837 VanDerWaalsContact O-N 3.11Å; N833-M1010 PolarHBondContact ND2-SD 3.4Å; N833-N1011 WeakPolarHBondContact CA-OD1 3.1Å; N833-N1011 WeakPolarHBondContact CB-OD1 3.37Å
834T85.3Confident84.7Confident5 Ų516.5 Ų16.53%0.0318%0.082CC..Hα-helixtrans-60.8-33.5-177.458.80000112.5A838 R1013 Y1014 L1017T834-A838 VanDerWaalsContact O-CB 3.26Å; T834-A838 WeakPolarHBondContact O-CB 3.49Å; T834-A838 PolarHBondContact O-N 2.84Å; T834-R1013 PolarHBondContact OG1-O 3.26Å; T834-Y1014 HydrophobicContact CG2-CD1 4.28Å; T834-L1017 HydrophobicContact CG2-CD1 3.93Å; T834-L1017 HydrophobicContact CG2-CG 4.46Å
835S85.3Confident85.4Confident6 Ų615.7 Ų15.74%0.0428%0.078CC..Hα-helixtrans-71.7-44.5178.960.20000113.3N833 A838 V839N833-S835 PolarHBondContact ND2-OG 2.83Å; N833-S835 VanDerWaalsContact ND2-OG 3.13Å; N833-S835 PolarHBondContact O-N 2.95Å; N833-S835 PolarHBondContact OD1-OG 3.15Å; S835-A838 PolarHBondContact O-N 2.92Å; S835-V839 WeakPolarHBondContact O-CG2 3.4Å; S835-V839 PolarHBondContact O-N 2.96Å
836L89.6Confident86Confident0 Ų012.6 Ų12.60%07%0.065CC..Hα-helixtrans-60.6-47.917518063.5000110Y737 T757 T761 I764 L803 L832 N833 A838 V839 V840Y737-L836 HydrophobicContact CE2-CD2 4.49Å; T757-L836 HydrophobicContact CG2-CB 4.12Å; T757-L836 HydrophobicContact CG2-CD2 3.83Å; T761-L836 WeakPolarHBondContact OG1-CA 3.41Å; T761-L836 VanDerWaalsContact OG1-CB 3.3Å; T761-L836 WeakPolarHBondContact OG1-CB 3.26Å; T761-L836 WeakPolarHBondContact OG1-CD1 3.3Å; I764-L836 HydrophobicContact CD1-CD1 4.3Å; L803-L836 HydrophobicContact CD1-CD1 4.4Å; L803-L836 HydrophobicContact CD2-CD2 4.4Å; L832-L836 HydrophobicContact CD2-CD2 4.06Å; N833-L836 PolarHBondContact O-N 2.84Å; N833-L836 WeakPolarHBondContact OD1-CA 3.47Å; N833-L836 WeakPolarHBondContact OD1-CB 3.49Å; N833-L836 PolarHBondContact OD1-N 3.03Å; L836-A838 VanDerWaalsContact C-N 3.34Å; L836-A838 PolarHBondContact O-N 3.06Å; L836-V839 PolarHBondContact O-N 3.02Å; L836-V840 HydrophobicContact CD1-CG2 3.75Å; L836-V840 HydrophobicContact CG-CG2 4.05Å; L836-V840 VanDerWaalsContact O-CB 3.32Å; L836-V840 WeakPolarHBondContact O-CB 3.48Å; L836-V840 WeakPolarHBondContact O-CG2 3.46Å; L836-V840 PolarHBondContact O-N 3.17Å
837M89.7Confident86.6Confident0 Ų010.7 Ų10.70%05%0.054CC..Hα-helixtrans-56.5-48.9177.2-69.6172.864.400111.2I807 L811 N833 V839 V840 I841 F882 L1017I807-M837 HydrophobicContact CD1-CB 4.37Å; I807-M837 HydrophobicContact CD1-CG 3.88Å; I807-M837 HydrophobicContact CG1-CG 4.11Å; I807-M837 HydrophobicContact CG2-CE 4Å; I807-M837 HydrophobicContact CG2-CG 4.45Å; L811-M837 HydrophobicContact CD1-CE 3.98Å; N833-M837 WeakPolarHBondContact O-CG 3.35Å; N833-M837 PolarHBondContact O-N 3.21Å; N833-M837 VanDerWaalsContact O-N 3.11Å; M837-V839 PolarHBondContact O-N 3.06Å; M837-V840 PolarHBondContact O-N 3.28Å; M837-I841 WeakPolarHBondContact O-CD1 3.32Å; M837-I841 WeakPolarHBondContact O-CG1 3.46Å; M837-I841 PolarHBondContact O-N 3.15Å; M837-I841 VanDerWaalsContact O-N 3.11Å; M837-F882 HydrophobicContact CE-CE1 3.95Å; M837-F882 HydrophobicContact CE-CZ 4.42Å; M837-L1017 HydrophobicContact CB-CD2 3.76Å; M837-L1017 HydrophobicContact CE-CD2 4.32Å
838A88.8Confident86.9Confident0 Ų010.7 Ų10.70%06%0.055CC..Hα-helixtrans-60.5-45.1178.300000112.7P484 T834 S835 L836 T842 P1016 L1017 A1020P484-A838 HydrophobicContact CB-CB 3.76Å; P484-A838 HydrophobicContact CG-CB 3.5Å; P484-A838 VanDerWaalsContact CG-CB 3.5Å; T834-A838 VanDerWaalsContact O-CB 3.26Å; T834-A838 WeakPolarHBondContact O-CB 3.49Å; T834-A838 PolarHBondContact O-N 2.84Å; S835-A838 PolarHBondContact O-N 2.92Å; L836-A838 VanDerWaalsContact C-N 3.34Å; L836-A838 PolarHBondContact O-N 3.06Å; A838-T842 WeakPolarHBondContact O-CB 3.31Å; A838-T842 WeakPolarHBondContact O-CG2 3.36Å; A838-T842 PolarHBondContact O-N 3.13Å; A838-T842 PolarHBondContact O-OG1 3.4Å; A838-P1016 HydrophobicContact CB-CB 4.28Å; A838-P1016 WeakPolarHBondContact CB-O 3.43Å; A838-L1017 HydrophobicContact CB-CD2 4.25Å; A838-A1020 HydrophobicContact CB-CB 3.73Å
839V89.3Confident87.2Confident0 Ų011.9 Ų11.90%06%0.059CC..Hα-helixtrans-65.3-49.2177.6170.30000110.8W483 P484 T761 I764 H765 S835 L836 M837 I841 T842 S843W483-V839 HydrophobicContact CB-CG2 3.5Å; W483-V839 VanDerWaalsContact CB-CG2 3.5Å; W483-V839 HydrophobicContact CG-CG2 4.43Å; P484-V839 HydrophobicContact CG-CG2 4.18Å; T761-V839 HydrophobicContact CG2-CB 4.01Å; T761-V839 HydrophobicContact CG2-CG1 4.46Å; T761-V839 HydrophobicContact CG2-CG2 3.63Å; I764-V839 HydrophobicContact CB-CG1 4.22Å; I764-V839 HydrophobicContact CG2-CG1 3.87Å; H765-V839 HydrophobicContact CB-CG1 3.93Å; H765-V839 HydrophobicContact CB-CG2 4.5Å; S835-V839 WeakPolarHBondContact O-CG2 3.4Å; S835-V839 PolarHBondContact O-N 2.96Å; L836-V839 PolarHBondContact O-N 3.02Å; M837-V839 PolarHBondContact O-N 3.06Å; V839-I841 VanDerWaalsContact C-N 3.33Å; V839-I841 PolarHBondContact O-N 3.45Å; V839-T842 PolarHBondContact O-N 3.05Å; V839-T842 PolarHBondContact O-OG1 2.83Å; V839-T842 VanDerWaalsContact O-OG1 3.05Å; V839-S843 WeakPolarHBondContact O-CA 3.5Å; V839-S843 WeakPolarHBondContact O-CB 3.5Å; V839-S843 PolarHBondContact O-N 3.48Å; V839-S843 PolarHBondContact O-OG 3.31Å
840V91.6Very high87.4Confident0 Ų07.6 Ų7.60%04%0.039CC..Hα-helixtrans-56.4-46.9-177.9166.80000111.4I764 C800 L803 E804 I807 L836 M837 S843 S844I764-V840 HydrophobicContact CD1-CG2 4.23Å; C800-V840 HydrophobicContact CB-CG1 4.15Å; L803-V840 HydrophobicContact CB-CG1 3.91Å; L803-V840 HydrophobicContact CB-CG2 4.04Å; L803-V840 HydrophobicContact CD1-CG2 3.58Å; L803-V840 HydrophobicContact CG-CG2 4.42Å; E804-V840 HydrophobicContact CG-CG1 3.74Å; I807-V840 HydrophobicContact CD1-CG1 4.32Å; L836-V840 HydrophobicContact CD1-CG2 3.75Å; L836-V840 HydrophobicContact CG-CG2 4.05Å; L836-V840 VanDerWaalsContact O-CB 3.32Å; L836-V840 WeakPolarHBondContact O-CB 3.48Å; L836-V840 WeakPolarHBondContact O-CG2 3.46Å; L836-V840 PolarHBondContact O-N 3.17Å; M837-V840 PolarHBondContact O-N 3.28Å; V840-S843 VanDerWaalsContact C-OG 3.28Å; V840-S843 WeakPolarHBondContact CA-OG 3.5Å; V840-S843 PolarHBondContact O-OG 3.32Å; V840-S844 PolarHBondContact O-N 3.16Å; V840-S844 PolarHBondContact O-OG 3.44Å
841I88Confident87.5Confident1 Ų17.8 Ų7.81%0.0054%0.039CC..Hα-helixtrans-69.8-39.7-177.5-58.5166.6000111.3M837 V839 S844 L874 F878 W883 I1024M837-I841 WeakPolarHBondContact O-CD1 3.32Å; M837-I841 WeakPolarHBondContact O-CG1 3.46Å; M837-I841 PolarHBondContact O-N 3.15Å; M837-I841 VanDerWaalsContact O-N 3.11Å; V839-I841 VanDerWaalsContact C-N 3.33Å; V839-I841 PolarHBondContact O-N 3.45Å; I841-S844 PolarHBondContact O-OG 2.94Å; I841-L874 HydrophobicContact CG2-CD2 3.76Å; I841-F878 HydrophobicContact CG2-CE2 4.38Å; I841-F878 HydrophobicContact CG2-CZ 3.83Å; I841-W883 HydrophobicContact CD1-CH2 3.84Å; I841-W883 HydrophobicContact CD1-CZ2 3.88Å; I841-I1024 HydrophobicContact CB-CD1 4.06Å; I841-I1024 HydrophobicContact CG2-CD1 3.17Å; I841-I1024 HydrophobicContact CG2-CG1 4.2Å
842T87.4Confident87.3Confident16 Ų168.7 Ų8.710%0.0985%0.045CC..Hα-helixtrans-74.3-35.4178.152.20000112.6A838 V839 K846 A1020 N1023 I1024A838-T842 WeakPolarHBondContact O-CB 3.31Å; A838-T842 WeakPolarHBondContact O-CG2 3.36Å; A838-T842 PolarHBondContact O-N 3.13Å; A838-T842 PolarHBondContact O-OG1 3.4Å; V839-T842 PolarHBondContact O-N 3.05Å; V839-T842 PolarHBondContact O-OG1 2.83Å; V839-T842 VanDerWaalsContact O-OG1 3.05Å; T842-K846 WeakPolarHBondContact O-CG 3.45Å; T842-K846 PolarHBondContact O-N 3.28Å; T842-A1020 HydrophobicContact CG2-CB 3.8Å; T842-N1023 HydrophobicContact CG2-CB 4.24Å; T842-I1024 HydrophobicContact CG2-CD1 4.32Å; T842-I1024 HydrophobicContact CG2-CG1 4.12Å
843S89.8Confident87Confident3 Ų314.8 Ų14.82%0.0217%0.068CC..Hα-helixtrans-68.8-40.1179.648.20000113C800 V839 V840 L845 K846 C847C800-S843 PolarHBondContact SG-OG 3.42Å; V839-S843 WeakPolarHBondContact O-CA 3.5Å; V839-S843 WeakPolarHBondContact O-CB 3.5Å; V839-S843 PolarHBondContact O-N 3.48Å; V839-S843 PolarHBondContact O-OG 3.31Å; V840-S843 VanDerWaalsContact C-OG 3.28Å; V840-S843 WeakPolarHBondContact CA-OG 3.5Å; V840-S843 PolarHBondContact O-OG 3.32Å; S843-L845 VanDerWaalsContact C-N 3.28Å; S843-L845 PolarHBondContact O-N 2.96Å; S843-K846 WeakPolarHBondContact O-CB 3.45Å; S843-K846 PolarHBondContact O-N 3.46Å; S843-K846 VanDerWaalsContact O-N 3.12Å; S843-C847 PolarHBondContact O-N 3.33Å; S843-C847 PolarHBondContact O-SG 3.12Å; S843-C847 VanDerWaalsContact O-SG 3.33Å
844S91.1Very high86.6Confident0 Ų015.6 Ų15.60%07%0.072CC..Hα-helixtrans-60.1-40.2-179.662.60000111.7E804 V840 I841 C847 I848 H869E804-S844 WeakPolarHBondContact OE1-CB 3.35Å; E804-S844 PolarHBondContact OE1-OG 2.87Å; V840-S844 PolarHBondContact O-N 3.16Å; V840-S844 PolarHBondContact O-OG 3.44Å; I841-S844 PolarHBondContact O-OG 2.94Å; S844-C847 PolarHBondContact O-N 3.38Å; S844-I848 WeakPolarHBondContact O-CG1 3.27Å; S844-I848 PolarHBondContact O-N 3.2Å; S844-H869 WeakPolarHBondContact CB-NE2 3.42Å; S844-H869 PolarHBondContact OG-NE2 3.44Å; S844-H869 VanDerWaalsContact OG-NE2 3.1Å
845L87Confident86.1Confident4 Ų418 Ų182%0.0219%0.085CC..Hα-helixtrans-64.7-45.3172.8-65.7177.7000112.6S843 C847 I848 Q849 L866 L874 I1024 I1028 F1032S843-L845 VanDerWaalsContact C-N 3.28Å; S843-L845 PolarHBondContact O-N 2.96Å; L845-C847 VanDerWaalsContact C-N 3.32Å; L845-C847 PolarHBondContact O-N 3.1Å; L845-I848 PolarHBondContact O-N 3.36Å; L845-Q849 WeakPolarHBondContact O-CG 3.27Å; L845-Q849 PolarHBondContact O-N 3.48Å; L845-L866 HydrophobicContact CD2-CD1 3.74Å; L845-L874 HydrophobicContact CD2-CD1 3.83Å; L845-L874 HydrophobicContact CG-CD1 4.2Å; L845-I1024 HydrophobicContact CD1-CB 4.32Å; L845-I1024 HydrophobicContact CD1-CG1 3.98Å; L845-I1024 HydrophobicContact CD1-CG2 3.98Å; L845-I1028 HydrophobicContact CD1-CD1 4.48Å; L845-I1028 HydrophobicContact CD1-CG1 4.43Å; L845-F1032 HydrophobicContact CD2-CE2 4.44Å
846K87.7Confident84.9Confident63 Ų6322 Ų2227%0.27411%0.113SC..Hα-helixtrans-60.7-38.7176.8-77.9-175.1177.1-172.30112.4I768 F772 T842 S843 Q849 L850I768-K846 HydrophobicContact CG2-CB 3.89Å; I768-K846 HydrophobicContact CG2-CD 4.07Å; F772-K846 HydrophobicContact CE2-CB 3.95Å; F772-K846 HydrophobicContact CE2-CG 4.45Å; F772-K846 HydrophobicContact CZ-CB 4.36Å; T842-K846 WeakPolarHBondContact O-CG 3.45Å; T842-K846 PolarHBondContact O-N 3.28Å; S843-K846 WeakPolarHBondContact O-CB 3.45Å; S843-K846 PolarHBondContact O-N 3.46Å; S843-K846 VanDerWaalsContact O-N 3.12Å; K846-Q849 WeakPolarHBondContact O-CB 2.73Å; K846-Q849 PolarHBondContact O-N 3.17Å; K846-L850 WeakPolarHBondContact O-CB 3.12Å; K846-L850 PolarHBondContact O-N 3.31Å
847C90.3Very high83.1Confident0 Ų031 Ų310%016%0.155CC..Hα-helixtrans-60.6-46.3174.7-73.70000111.6I793 L797 S843 S844 L845 Q849 L850 L851I793-C847 HydrophobicContact CG2-CB 3.84Å; L797-C847 HydrophobicContact CB-CB 4.06Å; L797-C847 HydrophobicContact CD1-CB 4.05Å; L797-C847 HydrophobicContact CG-CB 4.49Å; S843-C847 PolarHBondContact O-N 3.33Å; S843-C847 PolarHBondContact O-SG 3.12Å; S843-C847 VanDerWaalsContact O-SG 3.33Å; S844-C847 PolarHBondContact O-N 3.38Å; L845-C847 VanDerWaalsContact C-N 3.32Å; L845-C847 PolarHBondContact O-N 3.1Å; C847-Q849 VanDerWaalsContact C-N 3.34Å; C847-Q849 PolarHBondContact O-N 2.88Å; C847-L850 PolarHBondContact O-N 3.18Å; C847-L851 WeakPolarHBondContact O-CG 3.07Å; C847-L851 PolarHBondContact O-N 2.88Å
848I85.9Confident81.2Confident5 Ų535.7 Ų35.73%0.02618%0.18CC..Hα-helixtrans-64.1-40.5178.9-61.5165.1000110.8L797 S844 L845 L850 L851 S852 F862 Q865 L866 H869L797-I848 HydrophobicContact CD1-CG1 4.19Å; L797-I848 HydrophobicContact CD2-CG1 4.24Å; S844-I848 WeakPolarHBondContact O-CG1 3.27Å; S844-I848 PolarHBondContact O-N 3.2Å; L845-I848 PolarHBondContact O-N 3.36Å; I848-L850 PolarHBondContact O-N 3.46Å; I848-L851 PolarHBondContact O-N 2.77Å; I848-S852 PolarHBondContact O-N 3.36Å; I848-F862 HydrophobicContact CG2-CD2 3.91Å; I848-F862 HydrophobicContact CG2-CE2 3.76Å; I848-Q865 HydrophobicContact CG2-CB 4.38Å; I848-L866 HydrophobicContact CG2-CB 4.33Å; I848-H869 HydrophobicContact CD1-CB 3.51Å
849Q84.1Confident79.5Confident38 Ų3841.8 Ų41.818%0.17821%0.212CC..Hα-helixtrans-59.4-45.5173.7-70.5173-6.400111.9L845 K846 C847 S852 R853 F862 F1032L845-Q849 WeakPolarHBondContact O-CG 3.27Å; L845-Q849 PolarHBondContact O-N 3.48Å; K846-Q849 WeakPolarHBondContact O-CB 2.73Å; K846-Q849 PolarHBondContact O-N 3.17Å; C847-Q849 VanDerWaalsContact C-N 3.34Å; C847-Q849 PolarHBondContact O-N 2.88Å; Q849-S852 WeakPolarHBondContact O-CB 3.28Å; Q849-S852 PolarHBondContact O-N 3.28Å; Q849-R853 PolarHBondContact O-N 3.47Å; Q849-R853 VanDerWaalsContact O-N 3.14Å; Q849-F862 HydrophobicContact CG-CE2 4.4Å; Q849-F862 HydrophobicContact CG-CZ 4.38Å; Q849-F1032 HydrophobicContact CG-CE1 4.14Å; Q849-F1032 HydrophobicContact CG-CZ 4.01Å; Q849-F1032 VanDerWaalsContact NE2-CZ 3.26Å
850L85.1Confident77.8Confident1 Ų147.5 Ų47.51%0.00525%0.247CC..Hα-helixtrans-68.4-41.4-179.3-161.6151000111.8F772 M775 I789 I793 K846 C847 I848 S852 R853 I854F772-L850 HydrophobicContact CB-CD1 4.35Å; F772-L850 HydrophobicContact CD1-CD1 4.14Å; F772-L850 HydrophobicContact CD2-CD1 3.55Å; F772-L850 HydrophobicContact CE1-CB 4.48Å; F772-L850 HydrophobicContact CE1-CD1 4.29Å; F772-L850 HydrophobicContact CE2-CB 4.08Å; F772-L850 HydrophobicContact CE2-CD1 3.69Å; F772-L850 HydrophobicContact CE2-CG 4.44Å; F772-L850 HydrophobicContact CG-CD1 3.76Å; F772-L850 HydrophobicContact CZ-CB 3.93Å; F772-L850 HydrophobicContact CZ-CD1 4.08Å; F772-L850 HydrophobicContact CZ-CG 4.43Å; M775-L850 HydrophobicContact CG-CD1 4.48Å; M775-L850 HydrophobicContact CG-CD2 4.13Å; M775-L850 HydrophobicContact CG-CG 4.46Å; I789-L850 HydrophobicContact CG2-CD2 4.06Å; I793-L850 HydrophobicContact CD1-CD1 4.36Å; I793-L850 HydrophobicContact CD1-CD2 4.46Å; I793-L850 HydrophobicContact CG1-CD2 3.91Å; K846-L850 WeakPolarHBondContact O-CB 3.12Å; K846-L850 PolarHBondContact O-N 3.31Å; C847-L850 PolarHBondContact O-N 3.18Å; I848-L850 PolarHBondContact O-N 3.46Å; L850-S852 VanDerWaalsContact C-N 3.26Å; L850-S852 PolarHBondContact O-N 2.7Å; L850-R853 WeakPolarHBondContact O-CB 2.96Å; L850-R853 PolarHBondContact O-N 3.1Å; L850-I854 HydrophobicContact CD2-CD1 3.35Å; L850-I854 HydrophobicContact CD2-CG1 3.9Å; L850-I854 WeakPolarHBondContact O-CG1 3.27Å; L850-I854 PolarHBondContact O-N 3.12Å
851L85.9Confident76.7Confident11 Ų1148.8 Ų48.86%0.05826%0.256CS..Hα-helixtrans-59.8-36.8173.7-72.6171000112Q790 I793 E794 L797 C847 I848 R853 I854 N855Q790-L851 HydrophobicContact CG-CD2 4.25Å; I793-L851 HydrophobicContact CB-CD2 4.27Å; I793-L851 HydrophobicContact CG2-CD1 4.07Å; I793-L851 HydrophobicContact CG2-CD2 3.81Å; I793-L851 HydrophobicContact CG2-CG 3.59Å; E794-L851 HydrophobicContact CG-CD2 3.96Å; L797-L851 HydrophobicContact CD2-CD1 3.76Å; C847-L851 WeakPolarHBondContact O-CG 3.07Å; C847-L851 PolarHBondContact O-N 2.88Å; I848-L851 PolarHBondContact O-N 2.77Å; L851-R853 VanDerWaalsContact C-N 3.34Å; L851-I854 PolarHBondContact O-N 3.2Å; L851-N855 VanDerWaalsContact O-CB 3.31Å; L851-N855 WeakPolarHBondContact O-CB 3.16Å; L851-N855 PolarHBondContact O-N 3.35Å; L851-N855 PolarHBondContact O-ND2 3.4Å
852S80.8Confident76Confident21 Ų2150.6 Ų50.615%0.14726%0.264CS..Hα-helixtrans-64.1-39173.4-1720000112.7I848 Q849 L850 N855 F862I848-S852 PolarHBondContact O-N 3.36Å; Q849-S852 WeakPolarHBondContact O-CB 3.28Å; Q849-S852 PolarHBondContact O-N 3.28Å; L850-S852 VanDerWaalsContact C-N 3.26Å; L850-S852 PolarHBondContact O-N 2.7Å; S852-N855 CarbonylContact O-C 3.5Å; S852-F862 VanDerWaalsContact OG-CB 3.31Å; S852-F862 WeakPolarHBondContact OG-CB 3.21Å; S852-F862 WeakPolarHBondContact OG-CG 2.83Å
853R79.6Confident75.2Confident128 Ų12854 Ų5448%0.48328%0.279SS..Hα-helixtrans-69-37.3179.5-172.2172.2176.3171.2-3.3111.5E776 Q849 L850 L851E776-R853 IonicContact OE1-NH1 2.68Å; Q849-R853 PolarHBondContact O-N 3.47Å; Q849-R853 VanDerWaalsContact O-N 3.14Å; L850-R853 WeakPolarHBondContact O-CB 2.96Å; L850-R853 PolarHBondContact O-N 3.1Å; L851-R853 VanDerWaalsContact C-N 3.34Å
854I77.5Confident74.5Confident26 Ų2660.5 Ų60.513%0.13331%0.307CS..Hα-helixtrans-68.2-48.5174.5-64.9173000110.5M775 I789 Q790 L850 L851 S856M775-I854 HydrophobicContact CE-CG1 3.69Å; M775-I854 HydrophobicContact SD-CD1 4.24Å; M775-I854 HydrophobicContact SD-CG1 3.89Å; I789-I854 HydrophobicContact CG2-CD1 4.02Å; Q790-I854 HydrophobicContact CB-CD1 4.23Å; L850-I854 HydrophobicContact CD2-CD1 3.35Å; L850-I854 HydrophobicContact CD2-CG1 3.9Å; L850-I854 WeakPolarHBondContact O-CG1 3.27Å; L850-I854 PolarHBondContact O-N 3.12Å; L851-I854 PolarHBondContact O-N 3.2Å; I854-S856 PolarHBondContact O-N 3.22Å
855N74Confident73.8Confident54 Ų5464.1 Ų64.129%0.28932%0.324SS..  trans-8355.9-178.5-66.1-41.2000111.8L851 S852 Q857 L858L851-N855 VanDerWaalsContact O-CB 3.31Å; L851-N855 WeakPolarHBondContact O-CB 3.16Å; L851-N855 PolarHBondContact O-N 3.35Å; L851-N855 PolarHBondContact O-ND2 3.4Å; S852-N855 CarbonylContact O-C 3.5Å; N855-Q857 PolarHBondContact O-N 3.48Å; N855-L858 PolarHBondContact O-N 3.04Å
856S60.3Low73.4Confident92 Ų9264.1 Ų64.164%0.64332%0.324SS*.THydrogen-bonded Turntrans-54.1-18.9-177.754.80000114.9I854 L858I854-S856 PolarHBondContact O-N 3.22Å; S856-L858 PolarHBondContact O-N 2.84Å
857Q51Low72.8Confident187 Ų18762.2 Ų62.287%0.87432%0.317SS*.THydrogen-bonded Turntrans-79.4-8.1-178.8-67.5-156.4-16.900115.5N855N855-Q857 PolarHBondContact O-N 3.48Å
858L50.4Low72.3Confident100 Ų10065.8 Ų65.852%0.52434%0.337SS..  trans-138.763.5-171.7-72.1161.7000113N855 S856 T860 S861N855-L858 PolarHBondContact O-N 3.04Å; S856-L858 PolarHBondContact O-N 2.84Å; L858-T860 PolarHBondContact O-N 2.87Å; L858-S861 WeakPolarHBondContact CB-OG 2.78Å; L858-S861 PolarHBondContact O-N 3.14Å; L858-S861 PolarHBondContact O-OG 2.96Å
859N53.3Low72.2Confident128 Ų12866.2 Ų66.268%0.68434%0.338SS*.Hα-helixtrans-53.3-30.6173.2-83.7-16.3000113.3S861 F862N859-S861 VanDerWaalsContact C-N 3.26Å; N859-S861 PolarHBondContact O-N 2.9Å; N859-F862 PolarHBondContact O-N 3.31Å
860T54.1Low72Confident119 Ų11964.9 Ų64.973%0.7333%0.332SS*.Hα-helixtrans-67-23.1175.852.70000113.4L858L858-T860 PolarHBondContact O-N 2.87Å
861S67.8Low71.7Confident27 Ų2767.6 Ų67.619%0.18935%0.346CS..Hα-helixtrans-77.8-31.217768.60000112.5L858 N859 K864 Q865L858-S861 WeakPolarHBondContact CB-OG 2.78Å; L858-S861 PolarHBondContact O-N 3.14Å; L858-S861 PolarHBondContact O-OG 2.96Å; N859-S861 VanDerWaalsContact C-N 3.26Å; N859-S861 PolarHBondContact O-N 2.9Å; S861-K864 PolarHBondContact O-N 2.99Å; S861-Q865 WeakPolarHBondContact O-CB 3.49Å; S861-Q865 VanDerWaalsContact O-CG 3.26Å; S861-Q865 WeakPolarHBondContact O-CG 3.48Å; S861-Q865 PolarHBondContact O-N 3.19Å
862F72.6Confident71.5Confident39 Ų3972.5 Ų72.517%0.17137%0.372CS..Hα-helixtrans-60-55.6-177.8172.1-112.7000112.6I848 Q849 S852 N859 K864 Q865 L866 F1032I848-F862 HydrophobicContact CG2-CD2 3.91Å; I848-F862 HydrophobicContact CG2-CE2 3.76Å; Q849-F862 HydrophobicContact CG-CE2 4.4Å; Q849-F862 HydrophobicContact CG-CZ 4.38Å; S852-F862 VanDerWaalsContact OG-CB 3.31Å; S852-F862 WeakPolarHBondContact OG-CB 3.21Å; S852-F862 WeakPolarHBondContact OG-CG 2.83Å; N859-F862 PolarHBondContact O-N 3.31Å; F862-K864 VanDerWaalsContact C-N 3.25Å; F862-K864 PolarHBondContact O-N 3.34Å; F862-Q865 PolarHBondContact O-N 3.33Å; F862-L866 HydrophobicContact CE1-CD2 4.4Å; F862-L866 HydrophobicContact CZ-CD2 4.28Å; F862-L866 WeakPolarHBondContact O-CB 3.39Å; F862-L866 PolarHBondContact O-N 3.29Å; F862-F1032 HydrophobicContact CE1-CD1 4.02Å; F862-F1032 HydrophobicContact CE1-CE1 4.03Å; F862-F1032 AromaticContact CZ-CD1 3.93Å; F862-F1032 HydrophobicContact CZ-CD1 3.93Å; F862-F1032 AromaticContact CZ-CE1 3.47Å; F862-F1032 HydrophobicContact CZ-CE1 3.47Å; F862-F1032 VanDerWaalsContact CZ-CE1 3.47Å; F862-F1032 HydrophobicContact CZ-CZ 4.2Å
863H71.2Confident71.7Confident87 Ų8772.3 Ų72.340%0.40337%0.371SS..Hα-helixtrans-60.2-40.3-178.9-168.762.3000110.8L866 T867H863-L866 PolarHBondContact O-N 3.29Å; H863-T867 WeakPolarHBondContact O-CB 3.26Å; H863-T867 PolarHBondContact O-N 3.43Å; H863-T867 PolarHBondContact O-OG1 3.34Å
864K75Confident71.8Confident140 Ų14066.2 Ų66.261%0.60935%0.348SS*.Hα-helixtrans-64.4-45.1176.2-171.4178.6-179.1-179.10112.7S861 F862 L866 N868S861-K864 PolarHBondContact O-N 2.99Å; F862-K864 VanDerWaalsContact C-N 3.25Å; F862-K864 PolarHBondContact O-N 3.34Å; K864-L866 VanDerWaalsContact C-N 3.34Å; K864-N868 VanDerWaalsContact O-CB 3.26Å; K864-N868 WeakPolarHBondContact O-CB 3.43Å; K864-N868 PolarHBondContact O-N 2.91Å; K864-N868 PolarHBondContact O-ND2 2.8Å; K864-N868 PolarHBondContact O-OD1 2.82Å
865Q76.9Confident71.9Confident77 Ų7765.5 Ų65.536%0.3635%0.345SS..Hα-helixtrans-62.4-43.8177.2-77.9174.9-6.500111.1I848 S861 F862 N868 H869I848-Q865 HydrophobicContact CG2-CB 4.38Å; S861-Q865 WeakPolarHBondContact O-CB 3.49Å; S861-Q865 VanDerWaalsContact O-CG 3.26Å; S861-Q865 WeakPolarHBondContact O-CG 3.48Å; S861-Q865 PolarHBondContact O-N 3.19Å; F862-Q865 PolarHBondContact O-N 3.33Å; Q865-N868 PolarHBondContact O-N 3.21Å; Q865-H869 WeakPolarHBondContact O-CB 3.39Å; Q865-H869 PolarHBondContact O-N 3.02Å
866L78.1Confident72.3Confident4 Ų465.2 Ų65.22%0.02135%0.346CS..Hα-helixtrans-64.1-50177.2179.471000112L845 I848 F862 H863 K864 N868 H869 W870 F1032L845-L866 HydrophobicContact CD2-CD1 3.74Å; I848-L866 HydrophobicContact CG2-CB 4.33Å; F862-L866 HydrophobicContact CE1-CD2 4.4Å; F862-L866 HydrophobicContact CZ-CD2 4.28Å; F862-L866 WeakPolarHBondContact O-CB 3.39Å; F862-L866 PolarHBondContact O-N 3.29Å; H863-L866 PolarHBondContact O-N 3.29Å; K864-L866 VanDerWaalsContact C-N 3.34Å; L866-N868 VanDerWaalsContact C-N 3.25Å; L866-N868 PolarHBondContact O-N 2.9Å; L866-H869 PolarHBondContact O-N 3.16Å; L866-W870 WeakPolarHBondContact O-CB 3.43Å; L866-W870 PolarHBondContact O-N 3.04Å; L866-F1032 HydrophobicContact CD1-CD2 4.09Å; L866-F1032 HydrophobicContact CD1-CE2 3.68Å; L866-F1032 HydrophobicContact CD1-CZ 4.04Å; L866-F1032 HydrophobicContact CD2-CB 3.88Å; L866-F1032 HydrophobicContact CD2-CD1 3.69Å; L866-F1032 HydrophobicContact CD2-CD2 3.31Å; L866-F1032 HydrophobicContact CD2-CE1 4.03Å; L866-F1032 HydrophobicContact CD2-CE2 3.69Å; L866-F1032 HydrophobicContact CD2-CG 3.34Å; L866-F1032 HydrophobicContact CD2-CZ 4.01Å; L866-F1032 HydrophobicContact CG-CD2 4.25Å; L866-F1032 HydrophobicContact CG-CE2 4.31Å
867T75.1Confident73.4Confident22 Ų2260.9 Ų60.914%0.13532%0.316CS..Hα-helixtrans-59.6-39.6176.8-59.40000110.9H863 N871H863-T867 WeakPolarHBondContact O-CB 3.26Å; H863-T867 PolarHBondContact O-N 3.43Å; H863-T867 PolarHBondContact O-OG1 3.34Å; T867-N871 WeakPolarHBondContact CG2-ND2 3.2Å; T867-N871 VanDerWaalsContact O-CB 3.28Å; T867-N871 WeakPolarHBondContact O-CB 3.21Å; T867-N871 VanDerWaalsContact O-CG 3.24Å; T867-N871 PolarHBondContact O-N 3.41Å; T867-N871 PolarHBondContact O-ND2 3.45Å
868N80Confident74.9Confident76 Ų7652.2 Ų52.241%0.40628%0.275SS..Hα-helixtrans-63.9-46.5174.7-73.3-12.9000111.9K864 Q865 L866 N871 N872K864-N868 VanDerWaalsContact O-CB 3.26Å; K864-N868 WeakPolarHBondContact O-CB 3.43Å; K864-N868 PolarHBondContact O-N 2.91Å; K864-N868 PolarHBondContact O-ND2 2.8Å; K864-N868 PolarHBondContact O-OD1 2.82Å; Q865-N868 PolarHBondContact O-N 3.21Å; L866-N868 VanDerWaalsContact C-N 3.25Å; L866-N868 PolarHBondContact O-N 2.9Å; N868-N871 PolarHBondContact O-N 2.82Å; N868-N872 WeakPolarHBondContact O-CB 3.41Å; N868-N872 PolarHBondContact O-N 3.16Å; N868-N872 PolarHBondContact O-ND2 2.9Å
869H83.6Confident76.3Confident14 Ų1452.9 Ų52.97%0.06527%0.274CS..Hα-helixtrans-63.2-43.2177.8-173.268.1000111.9E804 S844 I848 Q865 L866 S873 L874E804-H869 IonicContact OE1-CE1 3.55Å; E804-H869 IonicContact OE1-NE2 2.67Å; E804-H869 PolarHBondContact OE1-NE2 3.42Å; E804-H869 IonicContact OE2-CE1 3.32Å; E804-H869 PolarHBondContact OE2-CE1 2.89Å; E804-H869 IonicContact OE2-NE2 2.86Å; E804-H869 PolarHBondContact OE2-NE2 3.1Å; S844-H869 WeakPolarHBondContact CB-NE2 3.42Å; S844-H869 PolarHBondContact OG-NE2 3.44Å; S844-H869 VanDerWaalsContact OG-NE2 3.1Å; I848-H869 HydrophobicContact CD1-CB 3.51Å; Q865-H869 WeakPolarHBondContact O-CB 3.39Å; Q865-H869 PolarHBondContact O-N 3.02Å; L866-H869 PolarHBondContact O-N 3.16Å; H869-S873 PolarHBondContact ND1-OG 3.05Å; H869-S873 WeakPolarHBondContact O-CB 3.37Å; H869-S873 PolarHBondContact O-N 3.24Å; H869-L874 PolarHBondContact O-N 3.17Å
870W80.4Confident77.7Confident10 Ų1047.4 Ų47.44%0.03825%0.245CC..Iπ-helixtrans-58.5-50.4175.2179.9-102.9000111.3L866 L874 T875 F878 I1028 P1044 I1045L866-W870 WeakPolarHBondContact O-CB 3.43Å; L866-W870 PolarHBondContact O-N 3.04Å; W870-L874 HydrophobicContact CE3-CB 3.82Å; W870-L874 HydrophobicContact CE3-CD1 3.74Å; W870-L874 HydrophobicContact CE3-CG 4.44Å; W870-L874 HydrophobicContact CZ3-CB 4.09Å; W870-L874 HydrophobicContact CZ3-CD1 4.1Å; W870-T875 PolarHBondContact NE1-OG1 3.34Å; W870-T875 WeakPolarHBondContact O-CB 3.46Å; W870-T875 PolarHBondContact O-N 2.65Å; W870-T875 PolarHBondContact O-OG1 2.81Å; W870-F878 AromaticContact CH2-CD2 3.85Å; W870-F878 HydrophobicContact CH2-CD2 3.85Å; W870-F878 HydrophobicContact CH2-CE2 4.03Å; W870-F878 AromaticContact CZ3-CD2 3.98Å; W870-F878 HydrophobicContact CZ3-CD2 3.98Å; W870-F878 AromaticContact CZ3-CE2 3.79Å; W870-F878 HydrophobicContact CZ3-CE2 3.79Å; W870-I1028 HydrophobicContact CD2-CD1 4.48Å; W870-I1028 HydrophobicContact CE3-CD1 3.58Å; W870-I1028 HydrophobicContact CH2-CD1 3.8Å; W870-I1028 HydrophobicContact CZ3-CD1 3.18Å; W870-P1044 HydrophobicContact CZ2-CB 4.5Å; W870-P1044 HydrophobicContact CZ2-CG 4.01Å; W870-I1045 HydrophobicContact CH2-CG1 4.24Å; W870-I1045 HydrophobicContact CZ2-CD1 4.1Å; W870-I1045 HydrophobicContact CZ2-CG1 3.6Å
871N78.7Confident78.8Confident58 Ų5844.9 Ų44.931%0.3123%0.23SC..Iπ-helixtrans-72.2-36.9-176.1-72.8-24.6000113T867 N868T867-N871 WeakPolarHBondContact CG2-ND2 3.2Å; T867-N871 VanDerWaalsContact O-CB 3.28Å; T867-N871 WeakPolarHBondContact O-CB 3.21Å; T867-N871 VanDerWaalsContact O-CG 3.24Å; T867-N871 PolarHBondContact O-N 3.41Å; T867-N871 PolarHBondContact O-ND2 3.45Å; N868-N871 PolarHBondContact O-N 2.82Å
872N82.1Confident79.4Confident113 Ų11343.8 Ų43.860%0.60422%0.222SC*.Iπ-helixtrans-91.4-35.8-171.9-63.2-22.2000113.6N868 P876N868-N872 WeakPolarHBondContact O-CB 3.41Å; N868-N872 PolarHBondContact O-N 3.16Å; N868-N872 PolarHBondContact O-ND2 2.9Å; N872-P876 WeakPolarHBondContact O-CG 3.46Å
873S83.4Confident79.8Confident17 Ų1742 Ų4212%0.11921%0.214CC..Iπ-helixtrans-110.7-52-171.5-39.70000112.1E804 H869 P876 I877E804-S873 WeakPolarHBondContact OE2-CB 3.36Å; H869-S873 PolarHBondContact ND1-OG 3.05Å; H869-S873 WeakPolarHBondContact O-CB 3.37Å; H869-S873 PolarHBondContact O-N 3.24Å; S873-P876 WeakPolarHBondContact O-CD 3.5Å; S873-I877 WeakPolarHBondContact O-CD1 3.23Å; S873-I877 WeakPolarHBondContact O-CG1 3.5Å
874L83.3Confident80.2Confident0 Ų040.5 Ų40.50%021%0.209CC..Iπ-helixtrans-79.8-42.4-173.6-66-179.4000113.7E804 I841 L845 H869 W870 I877 F878E804-L874 WeakPolarHBondContact OE1-CD2 3.43Å; I841-L874 HydrophobicContact CG2-CD2 3.76Å; L845-L874 HydrophobicContact CD2-CD1 3.83Å; L845-L874 HydrophobicContact CG-CD1 4.2Å; H869-L874 PolarHBondContact O-N 3.17Å; W870-L874 HydrophobicContact CE3-CB 3.82Å; W870-L874 HydrophobicContact CE3-CD1 3.74Å; W870-L874 HydrophobicContact CE3-CG 4.44Å; W870-L874 HydrophobicContact CZ3-CB 4.09Å; W870-L874 HydrophobicContact CZ3-CD1 4.1Å; L874-I877 WeakPolarHBondContact O-CB 3.46Å; L874-I877 PolarHBondContact O-N 3.38Å; L874-F878 HydrophobicContact CB-CD2 4.1Å; L874-F878 HydrophobicContact CB-CE2 3.98Å; L874-F878 HydrophobicContact CD2-CE2 4.34Å; L874-F878 WeakPolarHBondContact O-CD2 3.02Å; L874-F878 PolarHBondContact O-N 3.28Å
875T79.2Confident80.4Confident11 Ų1137.9 Ų37.97%0.06720%0.199CC..Hα-helixtrans-57.5-45.4-179.2-68.10000112.4W870 I877 F878 K879 P1044W870-T875 PolarHBondContact NE1-OG1 3.34Å; W870-T875 WeakPolarHBondContact O-CB 3.46Å; W870-T875 PolarHBondContact O-N 2.65Å; W870-T875 PolarHBondContact O-OG1 2.81Å; T875-I877 VanDerWaalsContact C-N 3.27Å; T875-I877 PolarHBondContact O-N 3.17Å; T875-F878 PolarHBondContact O-N 3.36Å; T875-K879 HydrophobicContact CG2-CD 3.87Å; T875-K879 HydrophobicContact CG2-CG 4.27Å; T875-K879 WeakPolarHBondContact O-CB 3.44Å; T875-K879 WeakPolarHBondContact O-CG 3.47Å; T875-K879 PolarHBondContact O-N 3.11Å; T875-P1044 HydrophobicContact CG2-CB 4.09Å; T875-P1044 HydrophobicContact CG2-CG 3.88Å
876P82.3Confident80.7Confident48 Ų4834.2 Ų34.231%0.31218%0.182SC..Hα-helixtrans-59.1-34.6174.4-26.536000114.1N872 S873 L880N872-P876 WeakPolarHBondContact O-CG 3.46Å; S873-P876 WeakPolarHBondContact O-CD 3.5Å; P876-L880 WeakPolarHBondContact O-CG 3.4Å
877I83.8Confident81Confident1 Ų134.1 Ų34.11%0.00518%0.181CC..Hα-helixtrans-70.9-44.8177.9-65.9168.6000110.5E804 S873 L874 T875 L880 W883E804-I877 HydrophobicContact CB-CD1 3.61Å; E804-I877 HydrophobicContact CG-CD1 3.77Å; E804-I877 WeakPolarHBondContact O-CD1 3.49Å; S873-I877 WeakPolarHBondContact O-CD1 3.23Å; S873-I877 WeakPolarHBondContact O-CG1 3.5Å; L874-I877 WeakPolarHBondContact O-CB 3.46Å; L874-I877 PolarHBondContact O-N 3.38Å; T875-I877 VanDerWaalsContact C-N 3.27Å; T875-I877 PolarHBondContact O-N 3.17Å; I877-L880 WeakPolarHBondContact O-CB 3.29Å; I877-L880 WeakPolarHBondContact O-CG 3.35Å; I877-L880 PolarHBondContact O-N 2.86Å; I877-W883 HydrophobicContact CG2-CZ2 3.93Å; I877-W883 VanDerWaalsContact O-CD1 3.28Å; I877-W883 PolarHBondContact O-NE1 2.89Å
878F82.3Confident81.2Confident6 Ų635 Ų353%0.02619%0.188CC..Hα-helixtrans-76-23.1-176.2-69.8-53.5000114.4I841 W870 L874 T875 L880 W883 I1024 L1048I841-F878 HydrophobicContact CG2-CE2 4.38Å; I841-F878 HydrophobicContact CG2-CZ 3.83Å; W870-F878 AromaticContact CH2-CD2 3.85Å; W870-F878 HydrophobicContact CH2-CD2 3.85Å; W870-F878 HydrophobicContact CH2-CE2 4.03Å; W870-F878 AromaticContact CZ3-CD2 3.98Å; W870-F878 HydrophobicContact CZ3-CD2 3.98Å; W870-F878 AromaticContact CZ3-CE2 3.79Å; W870-F878 HydrophobicContact CZ3-CE2 3.79Å; L874-F878 HydrophobicContact CB-CD2 4.1Å; L874-F878 HydrophobicContact CB-CE2 3.98Å; L874-F878 HydrophobicContact CD2-CE2 4.34Å; L874-F878 WeakPolarHBondContact O-CD2 3.02Å; L874-F878 PolarHBondContact O-N 3.28Å; T875-F878 PolarHBondContact O-N 3.36Å; F878-L880 PolarHBondContact O-N 2.78Å; F878-W883 HydrophobicContact CD1-CD2 4.23Å; F878-W883 AromaticContact CD1-CE2 3.73Å; F878-W883 HydrophobicContact CD1-CG 4.46Å; F878-W883 HydrophobicContact CD1-CZ2 4.06Å; F878-W883 AromaticContact CD1-NE1 3.68Å; F878-W883 HydrophobicContact CE1-CD2 4.49Å; F878-W883 AromaticContact CE1-CE2 3.97Å; F878-W883 HydrophobicContact CE1-CH2 4.24Å; F878-W883 AromaticContact CE1-CZ2 3.84Å; F878-W883 HydrophobicContact CE1-CZ2 3.84Å; F878-I1024 HydrophobicContact CZ-CD1 4.05Å; F878-L1048 HydrophobicContact CB-CD1 3.85Å; F878-L1048 HydrophobicContact CB-CD2 4.09Å; F878-L1048 HydrophobicContact CB-CG 4.1Å; F878-L1048 HydrophobicContact CD1-CD1 3.7Å; F878-L1048 HydrophobicContact CD1-CD2 3.44Å; F878-L1048 VanDerWaalsContact CD1-CD2 3.44Å; F878-L1048 HydrophobicContact CD1-CG 4.1Å; F878-L1048 HydrophobicContact CD2-CD1 4Å; F878-L1048 HydrophobicContact CE1-CD1 4.16Å; F878-L1048 HydrophobicContact CE1-CD2 4.08Å; F878-L1048 HydrophobicContact CE2-CD1 4.44Å; F878-L1048 HydrophobicContact CG-CD1 3.6Å; F878-L1048 HydrophobicContact CG-CD2 4.02Å; F878-L1048 HydrophobicContact CG-CG 4.21Å; F878-L1048 HydrophobicContact CZ-CD1 4.49Å
879K80.2Confident81.1Confident113 Ų11333.7 Ų33.749%0.49118%0.177SC..THydrogen-bonded Turntrans-71.3-8.3171.6-77.1-179.7174.4177.70113.9T875 P1044T875-K879 HydrophobicContact CG2-CD 3.87Å; T875-K879 HydrophobicContact CG2-CG 4.27Å; T875-K879 WeakPolarHBondContact O-CB 3.44Å; T875-K879 WeakPolarHBondContact O-CG 3.47Å; T875-K879 PolarHBondContact O-N 3.11Å; K879-P1044 HydrophobicContact CG-CB 4.27Å
880L82.7Confident81.1Confident14 Ų1433.1 Ų33.17%0.07318%0.175CC..SBendtrans-71.6134.8178.9-61.3175000110.5L811 Q812 P876 I877 F878 F882 W883L811-L880 HydrophobicContact CB-CD1 3.59Å; L811-L880 HydrophobicContact CD1-CD1 3.99Å; L811-L880 HydrophobicContact CG-CD1 4.46Å; Q812-L880 HydrophobicContact CG-CD1 4.37Å; Q812-L880 HydrophobicContact CG-CD2 3.39Å; P876-L880 WeakPolarHBondContact O-CG 3.4Å; I877-L880 WeakPolarHBondContact O-CB 3.29Å; I877-L880 WeakPolarHBondContact O-CG 3.35Å; I877-L880 PolarHBondContact O-N 2.86Å; F878-L880 PolarHBondContact O-N 2.78Å; L880-F882 HydrophobicContact CB-CB 4.29Å; L880-F882 PolarHBondContact O-N 3.24Å; L880-W883 PolarHBondContact O-N 3.42Å
881P76.5Confident81.1Confident66 Ų6632.8 Ų32.843%0.42917%0.173SC..THydrogen-bonded Turntrans-62.5-13.7178.523.3-31.5000113.4L815 W883 N884 Q885L815-P881 HydrophobicContact CD1-CG 3.72Å; L815-P881 HydrophobicContact CD2-CG 3.71Å; L815-P881 HydrophobicContact CG-CG 4.35Å; P881-W883 VanDerWaalsContact C-N 3.29Å; P881-W883 PolarHBondContact O-N 3Å; P881-N884 PolarHBondContact O-N 3.5Å; P881-Q885 WeakPolarHBondContact O-CG 3.02Å; P881-Q885 PolarHBondContact O-N 2.91Å
882F81.2Confident81Confident3 Ų334.1 Ų34.11%0.01318%0.178CC..Hα-helixtrans-47.6-46.2172.8169.2-104.8000113L811 W820 F823 M837 L880 N884 Q885 M886 L1017L811-F882 HydrophobicContact CD1-CD1 3.81Å; L811-F882 HydrophobicContact CD1-CE1 4.25Å; L811-F882 HydrophobicContact CD1-CG 4.24Å; L811-F882 HydrophobicContact CD2-CD1 4.05Å; L811-F882 HydrophobicContact CD2-CD2 3.96Å; L811-F882 HydrophobicContact CD2-CE1 4.25Å; L811-F882 HydrophobicContact CD2-CE2 4.19Å; L811-F882 HydrophobicContact CD2-CG 3.89Å; L811-F882 HydrophobicContact CD2-CZ 4.31Å; W820-F882 HydrophobicContact CZ3-CD2 4.28Å; W820-F882 HydrophobicContact CZ3-CE2 4.3Å; F823-F882 HydrophobicContact CD1-CE2 4.45Å; F823-F882 HydrophobicContact CE1-CD2 4.09Å; F823-F882 AromaticContact CE1-CE2 3.35Å; F823-F882 HydrophobicContact CE1-CE2 3.35Å; F823-F882 HydrophobicContact CE1-CZ 4.13Å; F823-F882 HydrophobicContact CE2-CD2 4.23Å; F823-F882 HydrophobicContact CE2-CE2 4.28Å; F823-F882 AromaticContact CZ-CD2 3.57Å; F823-F882 HydrophobicContact CZ-CD2 3.57Å; F823-F882 AromaticContact CZ-CE2 3.24Å; F823-F882 HydrophobicContact CZ-CE2 3.24Å; F823-F882 HydrophobicContact CZ-CZ 4.08Å; M837-F882 HydrophobicContact CE-CE1 3.95Å; M837-F882 HydrophobicContact CE-CZ 4.42Å; L880-F882 HydrophobicContact CB-CB 4.29Å; L880-F882 PolarHBondContact O-N 3.24Å; F882-N884 PolarHBondContact O-N 3.06Å; F882-Q885 PolarHBondContact O-N 3.33Å; F882-M886 HydrophobicContact CE1-CB 4.4Å; F882-M886 HydrophobicContact CE2-CB 4.12Å; F882-M886 HydrophobicContact CZ-CB 4.04Å; F882-M886 HydrophobicContact CZ-CG 4.12Å; F882-M886 VanDerWaalsContact O-CB 3.23Å; F882-M886 WeakPolarHBondContact O-CB 3.37Å; F882-M886 PolarHBondContact O-N 2.76Å; F882-L1017 HydrophobicContact CZ-CD1 4.48Å
883W80.4Confident80.6Confident3 Ų329.9 Ų29.91%0.01116%0.155CC..Hα-helixtrans-64.2-44.8-175.1-67.3102000112.3I841 I877 F878 L880 P881 Q885 M886 L887 L1017 I1021 L1048I841-W883 HydrophobicContact CD1-CH2 3.84Å; I841-W883 HydrophobicContact CD1-CZ2 3.88Å; I877-W883 HydrophobicContact CG2-CZ2 3.93Å; I877-W883 VanDerWaalsContact O-CD1 3.28Å; I877-W883 PolarHBondContact O-NE1 2.89Å; F878-W883 HydrophobicContact CD1-CD2 4.23Å; F878-W883 AromaticContact CD1-CE2 3.73Å; F878-W883 HydrophobicContact CD1-CG 4.46Å; F878-W883 HydrophobicContact CD1-CZ2 4.06Å; F878-W883 AromaticContact CD1-NE1 3.68Å; F878-W883 HydrophobicContact CE1-CD2 4.49Å; F878-W883 AromaticContact CE1-CE2 3.97Å; F878-W883 HydrophobicContact CE1-CH2 4.24Å; F878-W883 AromaticContact CE1-CZ2 3.84Å; F878-W883 HydrophobicContact CE1-CZ2 3.84Å; L880-W883 PolarHBondContact O-N 3.42Å; P881-W883 VanDerWaalsContact C-N 3.29Å; P881-W883 PolarHBondContact O-N 3Å; W883-Q885 VanDerWaalsContact C-N 3.33Å; W883-Q885 PolarHBondContact O-N 2.83Å; W883-M886 HydrophobicContact CE3-CE 3.44Å; W883-M886 VanDerWaalsContact CE3-CE 3.44Å; W883-M886 HydrophobicContact CZ3-CE 3.71Å; W883-M886 PolarHBondContact O-N 3.11Å; W883-L887 VanDerWaalsContact O-CB 3.26Å; W883-L887 WeakPolarHBondContact O-CB 3.39Å; W883-L887 WeakPolarHBondContact O-CD1 3.39Å; W883-L887 WeakPolarHBondContact O-CG 3.2Å; W883-L887 PolarHBondContact O-N 3.19Å; W883-L1017 HydrophobicContact CH2-CD2 3.89Å; W883-L1017 HydrophobicContact CZ3-CB 4.25Å; W883-L1017 HydrophobicContact CZ3-CD2 4.07Å; W883-I1021 HydrophobicContact CE3-CD1 3.81Å; W883-I1021 HydrophobicContact CE3-CG1 4.37Å; W883-I1021 HydrophobicContact CZ3-CD1 3.83Å; W883-I1021 HydrophobicContact CZ3-CG1 4.06Å; W883-L1048 HydrophobicContact CB-CD2 4.32Å; W883-L1048 HydrophobicContact CG-CD2 4.28Å
884N79.1Confident80.4Confident54 Ų5429.7 Ų29.729%0.28915%0.152SC..Hα-helixtrans-61.8-43.6177.1-73.8-14.2000111.3P881 F882 C888 D1047 P1051P881-N884 PolarHBondContact O-N 3.5Å; F882-N884 PolarHBondContact O-N 3.06Å; N884-C888 VanDerWaalsContact O-CB 3.29Å; N884-C888 WeakPolarHBondContact O-CB 3.16Å; N884-C888 PolarHBondContact O-N 2.85Å; N884-C888 PolarHBondContact O-SG 2.89Å; N884-D1047 PolarHBondContact OD1-O 3.37Å; N884-P1051 HydrophobicContact CB-CG 4.39Å; N884-P1051 WeakPolarHBondContact OD1-CG 3.3Å
885Q78.7Confident80.4Confident86 Ų8629.7 Ų29.740%0.40215%0.152SC..Hα-helixtrans-67.5-44179.2-68.6175.7-20.800112.6W820 P881 F882 W883 C888 R889W820-Q885 HydrophobicContact CH2-CB 3.42Å; W820-Q885 VanDerWaalsContact CH2-CB 3.42Å; W820-Q885 HydrophobicContact CH2-CG 4.25Å; W820-Q885 HydrophobicContact CZ2-CB 3.38Å; W820-Q885 HydrophobicContact CZ2-CG 4Å; W820-Q885 VanDerWaalsContact CZ2-OE1 3.29Å; P881-Q885 WeakPolarHBondContact O-CG 3.02Å; P881-Q885 PolarHBondContact O-N 2.91Å; F882-Q885 PolarHBondContact O-N 3.33Å; W883-Q885 VanDerWaalsContact C-N 3.33Å; W883-Q885 PolarHBondContact O-N 2.83Å; Q885-C888 PolarHBondContact O-N 3.05Å; Q885-R889 WeakPolarHBondContact O-CB 3.37Å; Q885-R889 PolarHBondContact O-N 3.44Å
886M83.9Confident80.4Confident0 Ų029.2 Ų29.20%015%0.149CC..Hα-helixtrans-60.2-47.7176.2177.7-82.1-70.900111F882 W883 R889 F890 Y1014 L1017 I1021F882-M886 HydrophobicContact CE1-CB 4.4Å; F882-M886 HydrophobicContact CE2-CB 4.12Å; F882-M886 HydrophobicContact CZ-CB 4.04Å; F882-M886 HydrophobicContact CZ-CG 4.12Å; F882-M886 VanDerWaalsContact O-CB 3.23Å; F882-M886 WeakPolarHBondContact O-CB 3.37Å; F882-M886 PolarHBondContact O-N 2.76Å; W883-M886 HydrophobicContact CE3-CE 3.44Å; W883-M886 VanDerWaalsContact CE3-CE 3.44Å; W883-M886 HydrophobicContact CZ3-CE 3.71Å; W883-M886 PolarHBondContact O-N 3.11Å; M886-R889 PolarHBondContact O-N 2.77Å; M886-F890 WeakPolarHBondContact O-CB 3.41Å; M886-F890 PolarHBondContact O-N 2.85Å; M886-Y1014 HydrophobicContact CG-CD1 3.27Å; M886-Y1014 HydrophobicContact CG-CD2 4.47Å; M886-Y1014 HydrophobicContact CG-CE1 3.76Å; M886-Y1014 HydrophobicContact CG-CG 3.7Å; M886-Y1014 HydrophobicContact SD-CD1 3.95Å; M886-Y1014 HydrophobicContact SD-CG 3.91Å; M886-L1017 HydrophobicContact CE-CB 4Å; M886-L1017 HydrophobicContact CE-CD1 4.18Å; M886-I1021 HydrophobicContact CE-CD1 4.15Å
887L83.9Confident80.2Confident2 Ų227.6 Ų27.61%0.0114%0.138CC..Hα-helixtrans-63.7-43.9179-73.5162.2000111.5W883 R889 F890 M891 M1018 I1021 P1051 L1052W883-L887 VanDerWaalsContact O-CB 3.26Å; W883-L887 WeakPolarHBondContact O-CB 3.39Å; W883-L887 WeakPolarHBondContact O-CD1 3.39Å; W883-L887 WeakPolarHBondContact O-CG 3.2Å; W883-L887 PolarHBondContact O-N 3.19Å; L887-R889 VanDerWaalsContact C-N 3.31Å; L887-R889 PolarHBondContact O-N 3.46Å; L887-F890 PolarHBondContact O-N 2.56Å; L887-M891 VanDerWaalsContact O-CG 3.3Å; L887-M891 WeakPolarHBondContact O-CG 3.14Å; L887-M891 PolarHBondContact O-N 3.45Å; L887-M1018 HydrophobicContact CD2-CE 3.66Å; L887-M1018 HydrophobicContact CD2-SD 3.11Å; L887-M1018 WeakPolarHBondContact CD2-SD 3.43Å; L887-M1018 HydrophobicContact CG-SD 4.47Å; L887-I1021 HydrophobicContact CD1-CD1 4.18Å; L887-I1021 HydrophobicContact CD2-CD1 4.08Å; L887-I1021 HydrophobicContact CG-CD1 4.47Å; L887-P1051 HydrophobicContact CB-CB 3.46Å; L887-P1051 VanDerWaalsContact CB-CB 3.46Å; L887-P1051 HydrophobicContact CB-CG 4.1Å; L887-P1051 HydrophobicContact CD1-CB 3.66Å; L887-P1051 HydrophobicContact CD1-CG 3.7Å; L887-P1051 HydrophobicContact CG-CB 4.07Å; L887-P1051 HydrophobicContact CG-CG 4.49Å; L887-L1052 HydrophobicContact CD2-CD2 4.41Å
888C78.7Confident79.9Confident41 Ų4127.6 Ų27.628%0.27714%0.138SC..Hα-helixtrans-58.1-43173.5-77.60000112.2N884 Q885 M891 Q892N884-C888 VanDerWaalsContact O-CB 3.29Å; N884-C888 WeakPolarHBondContact O-CB 3.16Å; N884-C888 PolarHBondContact O-N 2.85Å; N884-C888 PolarHBondContact O-SG 2.89Å; Q885-C888 PolarHBondContact O-N 3.05Å; C888-M891 PolarHBondContact O-N 2.95Å; C888-Q892 WeakPolarHBondContact O-CB 3.36Å; C888-Q892 VanDerWaalsContact O-CG 3.23Å; C888-Q892 WeakPolarHBondContact O-CG 3.34Å; C888-Q892 PolarHBondContact O-N 2.67Å; C888-Q892 VanDerWaalsContact O-N 3.08Å
889R78.7Confident79.5Confident47 Ų4727.3 Ų27.318%0.17714%0.137CC..Hα-helixtrans-68.4-43.1177.6-170.8174.5-171.6-152.71.7112.1E824 Q885 M886 L887 M891 Q892 N893 Y1014E824-R889 IonicContact OE1-NH1 3.73Å; Q885-R889 WeakPolarHBondContact O-CB 3.37Å; Q885-R889 PolarHBondContact O-N 3.44Å; M886-R889 PolarHBondContact O-N 2.77Å; L887-R889 VanDerWaalsContact C-N 3.31Å; L887-R889 PolarHBondContact O-N 3.46Å; R889-M891 VanDerWaalsContact C-N 3.34Å; R889-M891 PolarHBondContact O-N 3.13Å; R889-Q892 PolarHBondContact O-N 3.14Å; R889-N893 HydrophobicContact CG-CB 4.41Å; R889-N893 WeakPolarHBondContact O-CB 3.49Å; R889-N893 PolarHBondContact O-N 3.4Å; R889-Y1014 PolarHBondContact NH1-OH 3.44Å; R889-Y1014 VanDerWaalsContact NH1-OH 3.12Å
890F83.5Confident79.1Confident3 Ų322.4 Ų22.41%0.01312%0.117CC..Hα-helixtrans-56-50.6174.1171.5-99000110.5M886 L887 Q892 E894 S895 L1015 M1018 W1055 E1099M886-F890 WeakPolarHBondContact O-CB 3.41Å; M886-F890 PolarHBondContact O-N 2.85Å; L887-F890 PolarHBondContact O-N 2.56Å; F890-Q892 VanDerWaalsContact C-N 3.29Å; F890-Q892 PolarHBondContact O-N 3.06Å; F890-E894 HydrophobicContact CD2-CB 3.79Å; F890-E894 HydrophobicContact CE2-CB 4.21Å; F890-E894 PolarHBondContact O-N 3.37Å; F890-S895 WeakPolarHBondContact O-CB 3.33Å; F890-S895 PolarHBondContact O-N 2.94Å; F890-L1015 HydrophobicContact CE2-CD1 4.07Å; F890-L1015 HydrophobicContact CZ-CD1 4.08Å; F890-M1018 HydrophobicContact CD1-CE 4.03Å; F890-M1018 HydrophobicContact CD1-CG 3.98Å; F890-M1018 HydrophobicContact CD1-SD 3.89Å; F890-M1018 HydrophobicContact CD2-CG 4.22Å; F890-M1018 HydrophobicContact CE1-CE 3.96Å; F890-M1018 HydrophobicContact CE1-CG 3.92Å; F890-M1018 HydrophobicContact CE1-SD 4.21Å; F890-M1018 HydrophobicContact CE2-CG 4.17Å; F890-M1018 HydrophobicContact CG-CG 4.14Å; F890-M1018 HydrophobicContact CG-SD 4.28Å; F890-M1018 HydrophobicContact CZ-CG 4.02Å; F890-W1055 AromaticContact CE1-CE2 3.99Å; F890-W1055 AromaticContact CE1-CH2 3.93Å; F890-W1055 HydrophobicContact CE1-CH2 3.93Å; F890-W1055 AromaticContact CE1-CZ2 3.62Å; F890-W1055 HydrophobicContact CE1-CZ2 3.62Å; F890-W1055 HydrophobicContact CZ-CH2 4.43Å; F890-W1055 HydrophobicContact CZ-CZ2 4.21Å; F890-E1099 HydrophobicContact CZ-CG 4.42Å
891M81.5Confident78.7Confident2 Ų221.8 Ų21.81%0.0111%0.114CC..Hα-helixtrans-62.7-31.5179.7-70.7-173.1-74.800114.2L887 C888 R889 T898 G899 P1051 D1054 W1055L887-M891 VanDerWaalsContact O-CG 3.3Å; L887-M891 WeakPolarHBondContact O-CG 3.14Å; L887-M891 PolarHBondContact O-N 3.45Å; C888-M891 PolarHBondContact O-N 2.95Å; R889-M891 VanDerWaalsContact C-N 3.34Å; R889-M891 PolarHBondContact O-N 3.13Å; M891-T898 CarbonylContact O-C 3.6Å; M891-T898 PolarHBondContact O-OG1 2.92Å; M891-G899 WeakPolarHBondContact O-CA 3.26Å; M891-G899 PolarHBondContact O-N 3.06Å; M891-P1051 HydrophobicContact CE-CB 4.25Å; M891-D1054 HydrophobicContact CE-CB 4.18Å; M891-D1054 HydrophobicContact SD-CB 4.43Å; M891-W1055 HydrophobicContact CG-CB 4.08Å; M891-W1055 HydrophobicContact CG-CG 3.89Å; M891-W1055 WeakPolarHBondContact SD-CA 3.16Å; M891-W1055 HydrophobicContact SD-CB 3.41Å; M891-W1055 WeakPolarHBondContact SD-CB 3.32Å; M891-W1055 HydrophobicContact SD-CG 3.88Å; M891-W1055 PolarHBondContact SD-N 2.85Å; M891-W1055 VanDerWaalsContact SD-N 3.37Å
892Q75.3Confident78.5Confident87 Ų8721.8 Ų21.841%0.40711%0.112SC..Hα-helixtrans-85.7-45-178.7-72.1173.3-18.300112.2C888 R889 F890 G899 S900 R1058C888-Q892 WeakPolarHBondContact O-CB 3.36Å; C888-Q892 VanDerWaalsContact O-CG 3.23Å; C888-Q892 WeakPolarHBondContact O-CG 3.34Å; C888-Q892 PolarHBondContact O-N 2.67Å; C888-Q892 VanDerWaalsContact O-N 3.08Å; R889-Q892 PolarHBondContact O-N 3.14Å; F890-Q892 VanDerWaalsContact C-N 3.29Å; F890-Q892 PolarHBondContact O-N 3.06Å; Q892-G899 WeakPolarHBondContact O-CA 3.44Å; Q892-S900 PolarHBondContact O-N 2.83Å; Q892-R1058 VanDerWaalsContact CG-NH1 3.27Å
893N74.7Confident78.3Confident23 Ų2323.4 Ų23.412%0.12312%0.12CC..Hα-helixtrans-117.3-12.1-161.8-66.716.5000114.4R889 D906 W976 P977R889-N893 HydrophobicContact CG-CB 4.41Å; R889-N893 WeakPolarHBondContact O-CB 3.49Å; R889-N893 PolarHBondContact O-N 3.4Å; N893-D906 PolarHBondContact ND2-OD1 3.47Å; N893-W976 VanDerWaalsContact C-CZ2 3.4Å; N893-W976 WeakPolarHBondContact O-CZ2 3.46Å; N893-W976 PolarHBondContact O-NE1 2.92Å; N893-W976 VanDerWaalsContact O-NE1 3.11Å; N893-P977 WeakPolarHBondContact O-CB 3.48Å
894E77.8Confident77.9Confident13 Ų1323.9 Ų23.96%0.06112%0.123CC..THydrogen-bonded Turntrans-123.7-34.5-179.7-70.3-173.4-16900113.9F890 I896 Y1014F890-E894 HydrophobicContact CD2-CB 3.79Å; F890-E894 HydrophobicContact CE2-CB 4.21Å; F890-E894 PolarHBondContact O-N 3.37Å; E894-I896 PolarHBondContact O-N 3.43Å; E894-Y1014 VanDerWaalsContact CD-CD2 3.46Å; E894-Y1014 WeakPolarHBondContact OE1-CD2 3.23Å; E894-Y1014 VanDerWaalsContact OE1-CE2 3.23Å; E894-Y1014 WeakPolarHBondContact OE1-CE2 3.29Å; E894-Y1014 PolarHBondContact OE2-N 3.48Å
895S84Confident77.8Confident0 Ų026.5 Ų26.50%013%0.129CC..  trans-68.3117.8-177.1173.60000110.1F890 L897 T898 G899 E1099F890-S895 WeakPolarHBondContact O-CB 3.33Å; F890-S895 PolarHBondContact O-N 2.94Å; S895-L897 VanDerWaalsContact C-N 3.27Å; S895-L897 PolarHBondContact O-N 3.07Å; S895-L897 PolarHBondContact OG-N 3.08Å; S895-T898 WeakPolarHBondContact CB-OG1 3.34Å; S895-T898 PolarHBondContact OG-N 3.16Å; S895-T898 PolarHBondContact OG-OG1 3.17Å; S895-T898 VanDerWaalsContact OG-OG1 3.06Å; S895-G899 VanDerWaalsContact O-CA 3.26Å; S895-G899 WeakPolarHBondContact O-CA 3.29Å; S895-G899 PolarHBondContact O-N 3.05Å; S895-E1099 VanDerWaalsContact CA-OE1 3.3Å; S895-E1099 WeakPolarHBondContact CA-OE1 3.48Å; S895-E1099 WeakPolarHBondContact CA-OE2 3.11Å; S895-E1099 WeakPolarHBondContact CB-OE2 3.48Å; S895-E1099 PolarHBondContact OG-OE2 2.92Å
896I78.7Confident77.6Confident1 Ų122.9 Ų22.91%0.00511%0.112CC..THydrogen-bonded Turntrans-68.4-32176.6-61.3-157.7000111.1E894 W976 P1092 L1095 I1096 E1099E894-I896 PolarHBondContact O-N 3.43Å; I896-W976 HydrophobicContact CG1-CH2 4.48Å; I896-W976 HydrophobicContact CG1-CZ3 4.2Å; I896-P1092 HydrophobicContact CD1-CB 3.56Å; I896-P1092 HydrophobicContact CD1-CG 3.64Å; I896-P1092 HydrophobicContact CG2-CB 4.47Å; I896-P1092 HydrophobicContact CG2-CG 3.48Å; I896-P1092 VanDerWaalsContact CG2-CG 3.48Å; I896-L1095 HydrophobicContact CD1-CB 3.42Å; I896-L1095 VanDerWaalsContact CD1-CB 3.42Å; I896-L1095 HydrophobicContact CD1-CD1 3.52Å; I896-L1095 HydrophobicContact CD1-CG 4.11Å; I896-L1095 HydrophobicContact CG1-CB 4.08Å; I896-L1095 HydrophobicContact CG1-CD1 4.26Å; I896-I1096 HydrophobicContact CG2-CG1 4.28Å; I896-E1099 PolarHBondContact N-OE1 2.88Å; I896-E1099 PolarHBondContact N-OE2 3.4Å
897L78.3Confident77.2Confident14 Ų1423 Ų237%0.07311%0.113CC..THydrogen-bonded Turntrans-77-31.7-177.8-64.1-178.6000113S895 I1096 E1099 I1103 I1152S895-L897 VanDerWaalsContact C-N 3.27Å; S895-L897 PolarHBondContact O-N 3.07Å; S895-L897 PolarHBondContact OG-N 3.08Å; L897-I1096 HydrophobicContact CD2-CG2 4.45Å; L897-E1099 HydrophobicContact CD1-CB 3.53Å; L897-E1099 HydrophobicContact CG-CB 3.99Å; L897-E1099 PolarHBondContact N-OE2 3.07Å; L897-E1099 VanDerWaalsContact N-OE2 3.13Å; L897-I1103 HydrophobicContact CB-CD1 4.38Å; L897-I1103 HydrophobicContact CD1-CD1 3.46Å; L897-I1103 VanDerWaalsContact CD1-CD1 3.46Å; L897-I1152 HydrophobicContact CD1-CD1 3.79Å
898T77.8Confident76.7Confident1 Ų123.5 Ų23.51%0.00612%0.117CC..THydrogen-bonded Turntrans-124.8-2.2-173.965.60000116.3M891 S895 W1055 R1058 V1059 F1064M891-T898 CarbonylContact O-C 3.6Å; M891-T898 PolarHBondContact O-OG1 2.92Å; S895-T898 WeakPolarHBondContact CB-OG1 3.34Å; S895-T898 PolarHBondContact OG-N 3.16Å; S895-T898 PolarHBondContact OG-OG1 3.17Å; S895-T898 VanDerWaalsContact OG-OG1 3.06Å; T898-W1055 VanDerWaalsContact CG2-CD1 3.49Å; T898-W1055 PolarHBondContact OG1-NE1 2.87Å; T898-R1058 HydrophobicContact CG2-CB 3.97Å; T898-V1059 HydrophobicContact CG2-CB 4.44Å; T898-V1059 HydrophobicContact CG2-CG2 3.51Å; T898-F1064 VanDerWaalsContact O-CD2 3.25Å; T898-F1064 WeakPolarHBondContact O-CD2 2.96Å; T898-F1064 WeakPolarHBondContact O-CE2 3.17Å
899G73.4Confident76Confident1 Ų123.7 Ų23.71%0.0112%0.118CC..  trans-114.5159.4-176.100000114M891 Q892 S895 W1068M891-G899 WeakPolarHBondContact O-CA 3.26Å; M891-G899 PolarHBondContact O-N 3.06Å; Q892-G899 WeakPolarHBondContact O-CA 3.44Å; S895-G899 VanDerWaalsContact O-CA 3.26Å; S895-G899 WeakPolarHBondContact O-CA 3.29Å; S895-G899 PolarHBondContact O-N 3.05Å; G899-W1068 WeakPolarHBondContact O-CZ2 3.15Å
900S72.9Confident75.1Confident10 Ų1023.3 Ų23.37%0.0712%0.121CC..  trans-152.9155.6168.165.80000109.3Q892 V902 F1064Q892-S900 PolarHBondContact O-N 2.83Å; S900-V902 PolarHBondContact O-N 3.4Å; S900-F1064 WeakPolarHBondContact OG-CE1 3.26Å
901P74.2Confident73.3Confident1 Ų129.3 Ų29.31%0.00615%0.153CC..  trans-68.9114.1176.728.4-34.4000109.9D906 V907 L938 L943 F962 W976 W1068P901-D906 HydrophobicContact CB-CB 4.44Å; P901-V907 HydrophobicContact CB-CG2 3.29Å; P901-V907 HydrophobicContact CG-CG2 4.26Å; P901-L938 HydrophobicContact CB-CD1 3.98Å; P901-L943 HydrophobicContact CG-CD1 3.93Å; P901-F962 HydrophobicContact CG-CD2 4.5Å; P901-F962 HydrophobicContact CG-CE2 4.34Å; P901-W976 HydrophobicContact CB-CG 4.47Å; P901-W1068 VanDerWaalsContact CD-CH2 3.41Å; P901-W1068 HydrophobicContact CG-CH2 4.4Å
902V72.8Confident71.6Confident65 Ų6529.8 Ų29.839%0.39416%0.156SC..  trans-98.8-33.2-177.6-178.40000111.2S900 D906 L937 L938S900-V902 PolarHBondContact O-N 3.4Å; V902-D906 PolarHBondContact N-OD2 3.08Å; V902-D906 VanDerWaalsContact N-OD2 3.16Å; V902-L937 HydrophobicContact CG1-CD2 3.89Å; V902-L937 WeakPolarHBondContact O-CA 3.28Å; V902-L938 PolarHBondContact O-N 3Å
903Q76.4Confident69.8Low38 Ų3829.3 Ų29.318%0.17816%0.16CC..BIsolated β-bridgetrans-128.3158.2-177.8-70.4178.4-10.900111.5R905 D906 T936 L937 L938Q903-R905 HydrophobicContact CB-CG 3.97Å; Q903-R905 PolarHBondContact O-N 3.44Å; Q903-R905 VanDerWaalsContact O-N 3.16Å; Q903-D906 PolarHBondContact N-OD2 3.22Å; Q903-D906 WeakPolarHBondContact O-CB 3.34Å; Q903-D906 PolarHBondContact O-N 3.44Å; Q903-T936 VanDerWaalsContact CA-O 3.29Å; Q903-T936 WeakPolarHBondContact CA-O 3.44Å; Q903-L937 HydrophobicContact CG-CD2 3.84Å; Q903-L938 WeakPolarHBondContact O-CD1 3.4Å
904V72.3Confident67.8Low12 Ų1234.8 Ų34.87%0.07319%0.185CC..G310 helixtrans-55.8-34.2177.7176.30000111.9D906 V907 W929 L932 T936 L938V904-D906 PolarHBondContact O-N 3.31Å; V904-V907 PolarHBondContact O-N 3.27Å; V904-W929 HydrophobicContact CG1-CE3 4.2Å; V904-W929 HydrophobicContact CG2-CE3 3.72Å; V904-W929 HydrophobicContact CG2-CZ3 3.59Å; V904-L932 HydrophobicContact CG2-CD2 4.46Å; V904-T936 WeakPolarHBondContact CG2-OG1 3.5Å; V904-T936 PolarHBondContact N-O 3.43Å; V904-L938 HydrophobicContact CG2-CD2 3.94Å; V904-L938 HydrophobicContact CG2-CG 4.32Å
905R75.3Confident65.6Low110 Ų11037.7 Ų37.742%0.41521%0.207SC..G310 helixtrans-63.9-17.4174.972.7-175.8-169.8-169-3.4115.4Q903 V907 Q934 N935 K978Q903-R905 HydrophobicContact CB-CG 3.97Å; Q903-R905 PolarHBondContact O-N 3.44Å; Q903-R905 VanDerWaalsContact O-N 3.16Å; R905-V907 PolarHBondContact O-N 2.9Å; R905-Q934 HydrophobicContact CB-CB 3.99Å; R905-Q934 WeakPolarHBondContact CB-O 3.49Å; R905-Q934 PolarHBondContact N-O 3.33Å; R905-N935 PolarHBondContact NH1-OD1 2.97Å; R905-K978 VanDerWaalsContact O-CD 3.24Å; R905-K978 WeakPolarHBondContact O-CD 3.31Å
906D75.3Confident63Low9 Ų943.3 Ų43.35%0.04825%0.246CC..G310 helixtrans-81.9-7.8-179.4-56.2-33.9000111.5N893 P901 V902 Q903 V904 K978N893-D906 PolarHBondContact ND2-OD1 3.47Å; P901-D906 HydrophobicContact CB-CB 4.44Å; V902-D906 PolarHBondContact N-OD2 3.08Å; V902-D906 VanDerWaalsContact N-OD2 3.16Å; Q903-D906 PolarHBondContact N-OD2 3.22Å; Q903-D906 WeakPolarHBondContact O-CB 3.34Å; Q903-D906 PolarHBondContact O-N 3.44Å; V904-D906 PolarHBondContact O-N 3.31Å; D906-K978 PolarHBondContact O-N 3.34Å
907V76Confident60.7Low2 Ų249.5 Ų49.51%0.01228%0.278CS..SBendtrans-131.5148.3-167.7-175.70000110.4P901 V904 R905 L938 L974 T975P901-V907 HydrophobicContact CB-CG2 3.29Å; P901-V907 HydrophobicContact CG-CG2 4.26Å; V904-V907 PolarHBondContact O-N 3.27Å; R905-V907 PolarHBondContact O-N 2.9Å; V907-L938 HydrophobicContact CG2-CD1 3.75Å; V907-L974 HydrophobicContact CB-CD2 4.45Å; V907-L974 HydrophobicContact CG1-CB 3.42Å; V907-L974 VanDerWaalsContact CG1-CB 3.42Å; V907-L974 HydrophobicContact CG1-CD1 4.33Å; V907-L974 HydrophobicContact CG1-CD2 3.59Å; V907-L974 HydrophobicContact CG1-CG 3.9Å; V907-T975 CarbonylContact C-O 3.38Å; V907-T975 WeakPolarHBondContact CA-O 3.31Å; V907-T975 VanDerWaalsContact CG1-O 3.23Å; V907-T975 WeakPolarHBondContact CG1-O 3.35Å
908S72.3Confident58.2Low14 Ų1455.5 Ų55.510%0.09831%0.31CS..EExtended strand (participates in β ladder)trans-97.3121.1166.2-610000109.9C910 T975 K978 V979S908-C910 PolarHBondContact O-N 2.81Å; S908-T975 VanDerWaalsContact CB-OG1 3.32Å; S908-T975 WeakPolarHBondContact CB-OG1 3.18Å; S908-T975 PolarHBondContact N-O 2.79Å; S908-T975 PolarHBondContact O-N 3.34Å; S908-T975 PolarHBondContact O-OG1 3.47Å; S908-K978 WeakPolarHBondContact OG-CG 3.42Å; S908-V979 PolarHBondContact OG-N 3.35Å; S908-V979 PolarHBondContact OG-O 2.89Å
909P65.9Low55.9Low45 Ų4560.1 Ų60.129%0.29234%0.338SS..EExtended strand (participates in β ladder)trans-69.3128.2173.527.8-32.3000110.6L911 W929 T930 L974P909-L911 PolarHBondContact O-N 3.24Å; P909-W929 HydrophobicContact CB-CB 3.6Å; P909-W929 HydrophobicContact CB-CG 4.24Å; P909-W929 HydrophobicContact CG-CB 4.09Å; P909-T930 HydrophobicContact CG-CG2 4.28Å; P909-L974 HydrophobicContact CB-CD2 4.32Å
910C57.8Low53.8Low38 Ų3868.4 Ų68.426%0.25738%0.376SS..EExtended strand (participates in β ladder)trans-84100.4164.4-97.50000108.2S908 L912 G973S908-C910 PolarHBondContact O-N 2.81Å; C910-L912 PolarHBondContact O-N 3.49Å; C910-L912 VanDerWaalsContact O-N 3.08Å; C910-G973 WeakPolarHBondContact CB-O 3.4Å; C910-G973 PolarHBondContact N-O 3.27Å
911L47.4Very low51.8Low129 Ų12972.6 Ų72.668%0.67540%0.402SS*.  trans-61.9109.4165.8-86.4161.2000108.5P909 T930P909-L911 PolarHBondContact O-N 3.24Å; L911-T930 HydrophobicContact CD1-CG2 3.75Å; L911-T930 HydrophobicContact CG-CG2 4.18Å
912L44.5Very low49.7Very low13 Ų1380 Ų807%0.06844%0.441CS..PPolyproline II helixtrans-91.4138173-77.3146.2000108.2I385 R386 C910 L971I385-L912 HydrophobicContact CB-CD2 4.29Å; R386-L912 HydrophobicContact CB-CD2 4.49Å; R386-L912 HydrophobicContact CG-CB 4.17Å; R386-L912 HydrophobicContact CG-CD1 3.86Å; R386-L912 HydrophobicContact CG-CD2 4Å; R386-L912 HydrophobicContact CG-CG 4.22Å; R386-L912 PolarHBondContact NH1-O 3.01Å; C910-L912 PolarHBondContact O-N 3.49Å; C910-L912 VanDerWaalsContact O-N 3.08Å; L912-L971 VanDerWaalsContact CD1-O 3.29Å; L912-L971 WeakPolarHBondContact CD1-O 3.23Å
913P37.1Very low47.8Very low77 Ų7786.2 Ų86.250%0.547%0.466SS..PPolyproline II helixtrans-53.7142.4-178.8-22.731.4000112.3R386R386-P913 PolarHBondContact NH1-O 3.35Å
914E33.3Very low45.9Very low137 Ų13787.5 Ų87.564%0.6449%0.489SS*.PPolyproline II helixtrans-65.7142.8-174.6-58.5-167138.500112.1K926E914-K926 IonicContact OE1-NZ 2.65Å; E914-K926 PolarHBondContact OE1-NZ 2.81Å
915S32Very low44.2Very low75 Ų7592.7 Ų92.752%0.52452%0.52SS..  trans-123.2137.3159.564.80000110.1I917S915-I917 PolarHBondContact O-N 3.13Å
916S29.8Very low42.6Very low117 Ų11794.1 Ų94.182%0.81853%0.53SS*.  trans-87.871.4173.751.90000110.1N918S916-N918 PolarHBondContact O-N 3.4Å
917I29.3Very low41.5Very low131 Ų13197.1 Ų97.167%0.67255%0.545SS*.  trans-91.599.9164.4-58.8175.5000107.3S915 V919S915-I917 PolarHBondContact O-N 3.13Å; I917-V919 VanDerWaalsContact C-N 3.33Å; I917-V919 HydrophobicContact CG2-CG2 3.91Å; I917-V919 PolarHBondContact O-N 2.69Å
918N26.7Very low40.5Very low141 Ų141100.4 Ų100.475%0.75456%0.563SS**  trans-62.589.4167.6-97.2-21.7000109.6S916S916-N918 PolarHBondContact O-N 3.4Å
919V29.1Very low40Very low98 Ų98100.6 Ų100.659%0.59456%0.562SS**  trans-9299.8160-174.60000106.9I917 T921I917-V919 VanDerWaalsContact C-N 3.33Å; I917-V919 HydrophobicContact CG2-CG2 3.91Å; I917-V919 PolarHBondContact O-N 2.69Å; V919-T921 WeakPolarHBondContact CG1-OG1 3.02Å; V919-T921 PolarHBondContact O-N 3.11Å
920H28.9Very low39.7Very low174 Ų174102.5 Ų102.581%0.80657%0.572SS**  trans-6934174.1-91.4-67000113.7
921T31.7Very low39.9Very low99 Ų99104.8 Ų104.861%0.60759%0.589SS**SBendtrans-125.5107.6174.662.80000110.5V919V919-T921 WeakPolarHBondContact CG1-OG1 3.02Å; V919-T921 PolarHBondContact O-N 3.11Å
922N30Very low40.7Very low156 Ų156100.9 Ų100.983%0.83457%0.568SS**SBendtrans71.4136.8174.1-56.6-21.4000114.8G924N922-G924 PolarHBondContact O-N 2.92Å
923E32.9Very low41.9Very low196 Ų196106.5 Ų106.592%0.91660%0.599SS**  trans-61.366.1-179.7-61.5171.715200111.9V925E923-V925 PolarHBondContact O-N 2.89Å
924G36.5Very low43.3Very low65 Ų65107.8 Ų107.867%0.6760%0.598SS**  trans-70.6101.2-176.600000110.5N922 K926N922-G924 PolarHBondContact O-N 2.92Å; G924-K926 PolarHBondContact O-N 3.39Å; G924-K926 VanDerWaalsContact O-N 3.16Å
925V37.3Very low45.1Very low120 Ų120106.2 Ų106.273%0.72759%0.594SS**  trans-51116.6175.6179.90000109.9E923 L927E923-V925 PolarHBondContact O-N 2.89Å; V925-L927 PolarHBondContact O-N 3.07Å
926K41.1Very low47.2Very low141 Ų141104.9 Ų104.961%0.61358%0.583SS**  trans-64.9110.5170.8-157.5-179.7-176.7-170.90107.4E914 G924 D928E914-K926 IonicContact OE1-NZ 2.65Å; E914-K926 PolarHBondContact OE1-NZ 2.81Å; G924-K926 PolarHBondContact O-N 3.39Å; G924-K926 VanDerWaalsContact O-N 3.16Å; K926-D928 PolarHBondContact O-N 3.48Å
927L51.6Low49.2Very low72 Ų72105.3 Ų105.338%0.37758%0.575SS.*  trans-88.194.4-178.6-148.791000109.1V925 W929 L932V925-L927 PolarHBondContact O-N 3.07Å; L927-W929 HydrophobicContact CD2-CD2 4.07Å; L927-W929 HydrophobicContact CD2-CE3 4.22Å; L927-W929 HydrophobicContact CD2-CH2 3.67Å; L927-W929 HydrophobicContact CD2-CZ2 3.5Å; L927-W929 HydrophobicContact CD2-CZ3 4.02Å; L927-W929 PolarHBondContact O-N 3.23Å; L927-L932 HydrophobicContact CD1-CD1 4.22Å; L927-L932 HydrophobicContact CD2-CD1 4.29Å; L927-L932 HydrophobicContact CD2-CD2 4.38Å; L927-L932 HydrophobicContact CG-CD1 3.84Å
928D56Low51.2Low70 Ų7099.5 Ų99.537%0.37455%0.545SS..  trans-84.897.9173.5-163.8-10.8000109.1K926 T930 S931 L932K926-D928 PolarHBondContact O-N 3.48Å; D928-T930 PolarHBondContact O-N 3.06Å; D928-T930 VanDerWaalsContact O-N 3.1Å; D928-T930 PolarHBondContact OD1-N 3.33Å; D928-T930 PolarHBondContact OD1-OG1 3.45Å; D928-S931 WeakPolarHBondContact O-CA 3.43Å; D928-S931 WeakPolarHBondContact O-CB 3.22Å; D928-S931 PolarHBondContact O-N 3.23Å; D928-S931 PolarHBondContact O-OG 2.99Å; D928-L932 WeakPolarHBondContact O-CD1 3.36Å; D928-L932 PolarHBondContact O-N 3.23Å
929W60.5Low53Low19 Ų1997.6 Ų97.67%0.07254%0.535CS..THydrogen-bonded Turntrans-57.5-25.6-178.4-67.296.8000113.5V904 P909 L927 S931 L932 L938 Y964 S972 L974V904-W929 HydrophobicContact CG1-CE3 4.2Å; V904-W929 HydrophobicContact CG2-CE3 3.72Å; V904-W929 HydrophobicContact CG2-CZ3 3.59Å; P909-W929 HydrophobicContact CB-CB 3.6Å; P909-W929 HydrophobicContact CB-CG 4.24Å; P909-W929 HydrophobicContact CG-CB 4.09Å; L927-W929 HydrophobicContact CD2-CD2 4.07Å; L927-W929 HydrophobicContact CD2-CE3 4.22Å; L927-W929 HydrophobicContact CD2-CH2 3.67Å; L927-W929 HydrophobicContact CD2-CZ2 3.5Å; L927-W929 HydrophobicContact CD2-CZ3 4.02Å; L927-W929 PolarHBondContact O-N 3.23Å; W929-S931 PolarHBondContact O-N 3.12Å; W929-L932 HydrophobicContact CE3-CD2 4.3Å; W929-L932 HydrophobicContact CZ3-CD2 4.26Å; W929-L932 PolarHBondContact O-N 2.92Å; W929-L938 HydrophobicContact CH2-CD2 3.7Å; W929-L938 HydrophobicContact CZ3-CD2 3.52Å; W929-Y964 AromaticContact CH2-CD2 3.94Å; W929-Y964 HydrophobicContact CH2-CD2 3.94Å; W929-Y964 AromaticContact CH2-CE2 3.28Å; W929-Y964 HydrophobicContact CH2-CE2 3.28Å; W929-Y964 AromaticContact CH2-CZ 3.73Å; W929-Y964 AromaticContact CZ2-CD2 3.56Å; W929-Y964 HydrophobicContact CZ2-CD2 3.56Å; W929-Y964 AromaticContact CZ2-CE2 3.43Å; W929-Y964 HydrophobicContact CZ2-CE2 3.43Å; W929-Y964 VanDerWaalsContact CZ2-CE2 3.43Å; W929-Y964 HydrophobicContact CZ2-CG 4.34Å; W929-S972 VanDerWaalsContact CD1-CB 3.43Å; W929-S972 PolarHBondContact NE1-OG 3.38Å; W929-L974 HydrophobicContact CD2-CD2 4.26Å; W929-L974 HydrophobicContact CZ2-CD1 4.44Å
930T60.5Low54.6Low85 Ų8595.8 Ų95.852%0.52152%0.522SS..THydrogen-bonded Turntrans-71.9-22.5176.365.40000112.7P909 L911 D928P909-T930 HydrophobicContact CG-CG2 4.28Å; L911-T930 HydrophobicContact CD1-CG2 3.75Å; L911-T930 HydrophobicContact CG-CG2 4.18Å; D928-T930 PolarHBondContact O-N 3.06Å; D928-T930 VanDerWaalsContact O-N 3.1Å; D928-T930 PolarHBondContact OD1-N 3.33Å; D928-T930 PolarHBondContact OD1-OG1 3.45Å
931S62.1Low56.1Low86 Ų8690 Ų9060%0.60151%0.51SS*.THydrogen-bonded Turntrans-92.3-14.7177.275.80000113.9D928 W929D928-S931 WeakPolarHBondContact O-CA 3.43Å; D928-S931 WeakPolarHBondContact O-CB 3.22Å; D928-S931 PolarHBondContact O-N 3.23Å; D928-S931 PolarHBondContact O-OG 2.99Å; W929-S931 PolarHBondContact O-N 3.12Å
932L63.9Low57.5Low47 Ų4786.3 Ų86.325%0.24649%0.487CS..SBendtrans-71.9144.6178.4-100.682.3000111.3V904 L927 D928 W929 Q934 T936V904-L932 HydrophobicContact CG2-CD2 4.46Å; L927-L932 HydrophobicContact CD1-CD1 4.22Å; L927-L932 HydrophobicContact CD2-CD1 4.29Å; L927-L932 HydrophobicContact CD2-CD2 4.38Å; L927-L932 HydrophobicContact CG-CD1 3.84Å; D928-L932 WeakPolarHBondContact O-CD1 3.36Å; D928-L932 PolarHBondContact O-N 3.23Å; W929-L932 HydrophobicContact CE3-CD2 4.3Å; W929-L932 HydrophobicContact CZ3-CD2 4.26Å; W929-L932 PolarHBondContact O-N 2.92Å; L932-Q934 PolarHBondContact O-N 3.23Å; L932-T936 HydrophobicContact CD2-CG2 4.08Å
933D69Low59.2Low131 Ų13179.7 Ų79.770%0.70145%0.451SS*.  trans-58.6129.8170.2-83.7-27.3000110.4N935 T936D933-N935 PolarHBondContact O-N 3.18Å; D933-T936 HydrophobicContact CB-CG2 4.4Å; D933-T936 WeakPolarHBondContact O-CB 3.35Å; D933-T936 PolarHBondContact O-N 2.87Å; D933-T936 PolarHBondContact O-OG1 2.85Å
934Q67.4Low60.8Low103 Ų10371.4 Ų71.448%0.48141%0.413SS..THydrogen-bonded Turntrans-52.8-24.7179.5-76.3-172.41.800114.6R905 L932R905-Q934 HydrophobicContact CB-CB 3.99Å; R905-Q934 WeakPolarHBondContact CB-O 3.49Å; R905-Q934 PolarHBondContact N-O 3.33Å; L932-Q934 PolarHBondContact O-N 3.23Å
935N70.4Confident62.5Low105 Ų10569.1 Ų69.156%0.56139%0.385SS*.THydrogen-bonded Turntrans-89.52.1179.8-64.6-31.7000113.9R905 D933 L937R905-N935 PolarHBondContact NH1-OD1 2.97Å; D933-N935 PolarHBondContact O-N 3.18Å; N935-L937 PolarHBondContact O-N 3.5Å
936T77.1Confident63.9Low47 Ų4763.8 Ų63.829%0.28835%0.353SS..PPolyproline II helixtrans-63.1131.5173.737.40000110.3Q903 V904 L932 D933Q903-T936 VanDerWaalsContact CA-O 3.29Å; Q903-T936 WeakPolarHBondContact CA-O 3.44Å; V904-T936 WeakPolarHBondContact CG2-OG1 3.5Å; V904-T936 PolarHBondContact N-O 3.43Å; L932-T936 HydrophobicContact CD2-CG2 4.08Å; D933-T936 HydrophobicContact CB-CG2 4.4Å; D933-T936 WeakPolarHBondContact O-CB 3.35Å; D933-T936 PolarHBondContact O-N 2.87Å; D933-T936 PolarHBondContact O-OG1 2.85Å
937L72.1Confident65.2Low126 Ų12657.6 Ų57.666%0.6633%0.327SS*.BIsolated β-bridgetrans-74.7131.1178.9-69.4166.9000109.4V902 Q903 N935V902-L937 HydrophobicContact CG1-CD2 3.89Å; V902-L937 WeakPolarHBondContact O-CA 3.28Å; Q903-L937 HydrophobicContact CG-CD2 3.84Å; N935-L937 PolarHBondContact O-N 3.5Å
938L70.2Confident66Low9 Ų955.3 Ų55.35%0.04732%0.315CS..PPolyproline II helixtrans-79.1136.7167.9-66.3168.8000108P901 V902 Q903 V904 V907 W929 D940 L943 Y964 L974P901-L938 HydrophobicContact CB-CD1 3.98Å; V902-L938 PolarHBondContact O-N 3Å; Q903-L938 WeakPolarHBondContact O-CD1 3.4Å; V904-L938 HydrophobicContact CG2-CD2 3.94Å; V904-L938 HydrophobicContact CG2-CG 4.32Å; V907-L938 HydrophobicContact CG2-CD1 3.75Å; W929-L938 HydrophobicContact CH2-CD2 3.7Å; W929-L938 HydrophobicContact CZ3-CD2 3.52Å; L938-D940 PolarHBondContact O-N 3.13Å; L938-L943 HydrophobicContact CB-CD1 4.19Å; L938-L943 HydrophobicContact CD1-CD1 4.44Å; L938-Y964 HydrophobicContact CD2-CE2 4.23Å; L938-L974 HydrophobicContact CD2-CD1 4.11Å
939D65.6Low66.9Low100 Ų10053.2 Ų53.254%0.53531%0.306SS..  trans-84.2101.1172.9-168-11.7000108.8G941 V942D939-G941 PolarHBondContact O-N 2.84Å; D939-G941 PolarHBondContact OD1-N 2.98Å; D939-V942 HydrophobicContact CB-CB 4.47Å; D939-V942 HydrophobicContact CB-CG2 3.86Å; D939-V942 PolarHBondContact O-N 2.68Å
940D61.4Low67.6Low60 Ų6052.4 Ų52.432%0.32130%0.304SS..THydrogen-bonded Turntrans-48.4-30.3177.8-76.6-4.2000112.9L938 V942L938-D940 PolarHBondContact O-N 3.13Å; D940-V942 VanDerWaalsContact C-N 3.26Å; D940-V942 PolarHBondContact O-N 2.95Å
941G61.4Low68.1Low54 Ų5449.7 Ų49.756%0.55729%0.288SS*.THydrogen-bonded Turntrans-72.5-16.9-178.600000114.3D939D939-G941 PolarHBondContact O-N 2.84Å; D939-G941 PolarHBondContact OD1-N 2.98Å
942V61.6Low68.8Low21 Ų2145.6 Ų45.613%0.12726%0.259CS..THydrogen-bonded Turntrans-106-13.1-173.9-165.10000111.7D939 D940 Y964 D965 Y968D939-V942 HydrophobicContact CB-CB 4.47Å; D939-V942 HydrophobicContact CB-CG2 3.86Å; D939-V942 PolarHBondContact O-N 2.68Å; D940-V942 VanDerWaalsContact C-N 3.26Å; D940-V942 PolarHBondContact O-N 2.95Å; V942-Y964 HydrophobicContact CB-CD1 4.1Å; V942-Y964 HydrophobicContact CB-CE1 3.86Å; V942-Y964 HydrophobicContact CG1-CD1 3.36Å; V942-Y964 HydrophobicContact CG1-CE1 3.57Å; V942-Y964 HydrophobicContact CG1-CG 4.25Å; V942-D965 HydrophobicContact CG1-CB 3.59Å; V942-D965 PolarHBondContact O-N 2.95Å; V942-Y968 HydrophobicContact CG1-CD2 4.07Å; V942-Y968 HydrophobicContact CG1-CE2 4.09Å
943L65.7Low69.6Low16 Ų1643.9 Ų43.98%0.08425%0.25CS..EExtended strand (participates in β ladder)trans-80.4122.6177-67.6175.3000111P901 L938 F962 C963 Y964 L974P901-L943 HydrophobicContact CG-CD1 3.93Å; L938-L943 HydrophobicContact CB-CD1 4.19Å; L938-L943 HydrophobicContact CD1-CD1 4.44Å; L943-F962 HydrophobicContact CD2-CB 4.25Å; L943-C963 WeakPolarHBondContact CA-O 3.46Å; L943-Y964 HydrophobicContact CD2-CD2 3.8Å; L943-Y964 HydrophobicContact CD2-CE2 3.65Å; L943-Y964 HydrophobicContact CG-CE2 4.49Å; L943-L974 HydrophobicContact CD2-CD1 3.64Å
944Q65.8Low70.1Confident23 Ų2338 Ų3811%0.10722%0.219CC..EExtended strand (participates in β ladder)trans-112129.6173.1-178.4179.89.300110.4F962 C963 S1070Q944-F962 CarbonylContact O-C 3.56Å; Q944-F962 VanDerWaalsContact O-CA 3.29Å; Q944-F962 WeakPolarHBondContact O-CA 3.2Å; Q944-C963 PolarHBondContact N-O 3.48Å; Q944-C963 PolarHBondContact O-N 2.9Å; Q944-C963 PolarHBondContact O-SG 2.93Å; Q944-S1070 PolarHBondContact NE2-OG 2.85Å
945L71.1Confident70.6Confident17 Ų1734.3 Ų34.39%0.08920%0.203CC..EExtended strand (participates in β ladder)trans-68.3130.1174.2-175.871.1000110.4L960 F962 W1068L945-L960 HydrophobicContact CD1-CB 3.98Å; L945-L960 HydrophobicContact CD1-CD2 4.38Å; L945-F962 HydrophobicContact CB-CD1 4.27Å; L945-F962 HydrophobicContact CB-CE1 3.91Å; L945-F962 HydrophobicContact CD1-CD1 4.14Å; L945-F962 HydrophobicContact CD1-CE1 3.41Å; L945-F962 VanDerWaalsContact CD1-CE1 3.41Å; L945-F962 HydrophobicContact CD1-CZ 3.69Å; L945-F962 HydrophobicContact CG-CE1 4.26Å; L945-W1068 WeakPolarHBondContact CD2-O 3.43Å
946V67Low70.8Confident7 Ų729.8 Ų29.84%0.04218%0.178CC..EExtended strand (participates in β ladder)trans-110.9124.4175.9-1790000109.1P394 L948 Y961 C963P394-V946 VanDerWaalsContact CD-CG1 3.48Å; P394-V946 HydrophobicContact CG-CG1 3.96Å; V946-L948 HydrophobicContact CG1-CD2 4.49Å; V946-Y961 PolarHBondContact N-O 3.36Å; V946-C963 HydrophobicContact CG2-CB 3.87Å; V946-C963 WeakPolarHBondContact CG2-SG 3.21Å
947S69.4Low70.6Confident11 Ų1127.6 Ų27.68%0.07717%0.165CC..  trans-92.9118.6177.2-166.80000110.2S949 D1090S947-S949 PolarHBondContact OG-O 2.91Å; S947-S949 PolarHBondContact OG-OG 3.15Å; S947-D1090 WeakPolarHBondContact CB-OD1 3.23Å; S947-D1090 PolarHBondContact OG-OD1 3.09Å
948L68.9Low70.4Confident24 Ų2422 Ų2213%0.12614%0.136CC..  trans-88.2-15.8171.3-62.4-174.8000112.3I385 P394 S395 V946 Y961I385-L948 HydrophobicContact CD1-CD2 4.28Å; I385-L948 HydrophobicContact CG1-CD2 4.13Å; P394-L948 HydrophobicContact CG-CD2 4.33Å; S395-L948 VanDerWaalsContact CB-O 3.22Å; S395-L948 WeakPolarHBondContact CB-O 3.24Å; S395-L948 PolarHBondContact OG-O 3.4Å; V946-L948 HydrophobicContact CG1-CD2 4.49Å; L948-Y961 HydrophobicContact CD1-CD1 4.04Å; L948-Y961 HydrophobicContact CD1-CD2 3.59Å; L948-Y961 HydrophobicContact CD1-CE1 3.85Å; L948-Y961 HydrophobicContact CD1-CE2 3.39Å; L948-Y961 HydrophobicContact CD1-CG 3.92Å; L948-Y961 HydrophobicContact CG-CD2 3.95Å; L948-Y961 HydrophobicContact CG-CE2 4.21Å; L948-Y961 HydrophobicContact CG-CG 4.23Å
949S73.2Confident70.5Confident26 Ų2622.4 Ų22.418%0.18214%0.139CC..SBendtrans-84129.9177.145.50000111S947 N955S947-S949 PolarHBondContact OG-O 2.91Å; S947-S949 PolarHBondContact OG-OG 3.15Å; S949-N955 WeakPolarHBondContact OG-CB 3.41Å
950P75.8Confident71Confident3 Ų317.9 Ų17.92%0.01911%0.114CC..  trans-66.7155.2172.431.7-37.9000110.8I397 T398 L401 C952 L953I397-P950 HydrophobicContact CG2-CG 3.91Å; T398-P950 HydrophobicContact CG2-CB 4.38Å; T398-P950 VanDerWaalsContact OG1-CA 3.23Å; T398-P950 WeakPolarHBondContact OG1-CA 3.42Å; T398-P950 WeakPolarHBondContact OG1-CB 3.47Å; L401-P950 HydrophobicContact CD1-CG 4.21Å; P950-C952 PolarHBondContact O-N 3.18Å; P950-L953 HydrophobicContact CG-CB 3.8Å; P950-L953 HydrophobicContact CG-CD1 3.68Å; P950-L953 HydrophobicContact CG-CG 3.81Å; P950-L953 CarbonylContact O-C 3.5Å; P950-L953 PolarHBondContact O-N 2.9Å
951S70.4Confident71.6Confident27 Ų2716.6 Ų16.619%0.18911%0.105CC..THydrogen-bonded Turntrans-59-23.8178.555.10000115L402 L953 N1089L402-S951 WeakPolarHBondContact CD2-OG 3.32Å; S951-L953 VanDerWaalsContact C-N 3.31Å; S951-N1089 WeakPolarHBondContact CB-ND2 3.44Å
952C77.9Confident72.1Confident1 Ų114.2 Ų14.21%0.0078%0.079CC..THydrogen-bonded Turntrans-85.21.2175.661.50000113.9P497 A523 N524 P526 P950P497-C952 WeakPolarHBondContact CB-O 3.43Å; A523-C952 WeakPolarHBondContact O-CB 3.24Å; N524-C952 WeakPolarHBondContact O-CB 3.24Å; P526-C952 HydrophobicContact CG-CB 4.4Å; P950-C952 PolarHBondContact O-N 3.18Å
953L81.4Confident72.4Confident11 Ų1113.4 Ų13.46%0.0588%0.075CC..SBendtrans-129.4129170.5-63.3172.3000109.8L401 I468 P526 V527 P950 S951L401-L953 HydrophobicContact CD1-CD1 4.14Å; I468-L953 HydrophobicContact CG2-CD2 3.94Å; P526-L953 HydrophobicContact CG-CD2 3.88Å; P526-L953 HydrophobicContact CG-CG 4.31Å; V527-L953 HydrophobicContact CG2-CD2 3.99Å; P950-L953 HydrophobicContact CG-CB 3.8Å; P950-L953 HydrophobicContact CG-CD1 3.68Å; P950-L953 HydrophobicContact CG-CG 3.81Å; P950-L953 CarbonylContact O-C 3.5Å; P950-L953 PolarHBondContact O-N 2.9Å; S951-L953 VanDerWaalsContact C-N 3.31Å
954P78.5Confident72.4Confident8 Ų814.4 Ų14.45%0.0528%0.078CC..  trans-68.6140.7-176.629.1-36.1000113.1I495 R570 C1271I495-P954 HydrophobicContact CB-CG 4.4Å; I495-P954 HydrophobicContact CG2-CB 4.05Å; I495-P954 HydrophobicContact CG2-CG 3.19Å; R570-P954 VanDerWaalsContact NH2-CD 3.28Å; P954-C1271 WeakPolarHBondContact CB-SG 3.38Å
955N77.8Confident71.9Confident24 Ų2415.8 Ų15.813%0.1289%0.086CC..  trans-79.6122.3174.3-171.2-5000111S949 G957 D1090 H1093S949-N955 WeakPolarHBondContact OG-CB 3.41Å; N955-G957 PolarHBondContact OD1-N 2.89Å; N955-D1090 PolarHBondContact ND2-O 3.4Å; N955-H1093 PolarHBondContact O-N 3.36Å; N955-H1093 VanDerWaalsContact O-N 3.12Å
956Y74.4Confident70.8Confident11 Ų1118.6 Ų18.64%0.04311%0.105CC..  trans-77.7-22.9177.9-66.8-93.3000113E474 L477 I495 R570 T958 L1094E474-Y956 PolarHBondContact OE1-OH 3.03Å; L477-Y956 HydrophobicContact CD2-CD1 4.47Å; L477-Y956 HydrophobicContact CD2-CE1 3.92Å; I495-Y956 HydrophobicContact CD1-CD1 4.46Å; I495-Y956 HydrophobicContact CD1-CE1 3.5Å; I495-Y956 HydrophobicContact CG2-CE1 3.99Å; R570-Y956 PolarHBondContact NH1-OH 3.32Å; Y956-T958 VanDerWaalsContact C-N 3.25Å; Y956-T958 PolarHBondContact O-N 2.96Å; Y956-L1094 HydrophobicContact CD1-CB 4.47Å; Y956-L1094 HydrophobicContact CD1-CD2 3.91Å
957G72.5Confident69.9Low1 Ų124.8 Ų24.81%0.0113%0.133CC..  trans73.99.7-177.200000115.7N955 V959 L1095N955-G957 PolarHBondContact OD1-N 2.89Å; G957-V959 VanDerWaalsContact C-N 3.31Å; G957-V959 PolarHBondContact O-N 3.33Å; G957-L1095 WeakPolarHBondContact O-CD1 3.22Å
958T69Low68.7Low8 Ų831.6 Ų31.65%0.04916%0.158CC..SBendtrans-63.4-39.4-178.457.10000111.3S473 F476 Y956 R1013S473-T958 PolarHBondContact OG-OG1 3.46Å; F476-T958 HydrophobicContact CB-CG2 3.97Å; F476-T958 HydrophobicContact CD1-CG2 3.38Å; F476-T958 HydrophobicContact CE1-CG2 4.09Å; F476-T958 HydrophobicContact CG-CG2 3.81Å; Y956-T958 VanDerWaalsContact C-N 3.25Å; Y956-T958 PolarHBondContact O-N 2.96Å; T958-R1013 PolarHBondContact O-NH2 2.88Å
959V72Confident67.4Low18 Ų1835.9 Ų35.911%0.10919%0.19CC..SBendtrans-133.7120.9171.9-177.30000107.8G957 Y961 T975 V979G957-V959 VanDerWaalsContact C-N 3.31Å; G957-V959 PolarHBondContact O-N 3.33Å; V959-Y961 HydrophobicContact CB-CE2 4.24Å; V959-Y961 HydrophobicContact CG1-CD2 4.43Å; V959-Y961 HydrophobicContact CG1-CE2 3.91Å; V959-T975 HydrophobicContact CG1-CG2 3.93Å; V959-V979 HydrophobicContact CG2-CG2 3.99Å
960L76.2Confident66.1Low5 Ų538.2 Ų38.23%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-93.6132.5173.7-58.3-173.4000109.1L945 F962 T975 W976 P1092L945-L960 HydrophobicContact CD1-CB 3.98Å; L945-L960 HydrophobicContact CD1-CD2 4.38Å; L960-F962 HydrophobicContact CB-CE2 3.73Å; L960-F962 HydrophobicContact CB-CZ 3.79Å; L960-F962 HydrophobicContact CD1-CZ 4.17Å; L960-T975 CarbonylContact O-C 3.56Å; L960-T975 WeakPolarHBondContact O-CA 3.31Å; L960-W976 HydrophobicContact CB-CE3 4.35Å; L960-W976 HydrophobicContact CD1-CE3 3.64Å; L960-W976 HydrophobicContact CD1-CZ3 3.72Å; L960-W976 HydrophobicContact CG-CE3 4.1Å; L960-W976 HydrophobicContact CG-CZ3 4.48Å; L960-W976 PolarHBondContact N-O 3.45Å; L960-W976 PolarHBondContact O-N 2.98Å; L960-P1092 HydrophobicContact CD2-CB 4.3Å
961Y72.8Confident64.6Low33 Ų3339.5 Ų39.513%0.12921%0.205CC..EExtended strand (participates in β ladder)trans-103130.6178-68.3-97.2000109.2I385 V946 L948 V959 L974 T975I385-Y961 HydrophobicContact CD1-CD1 4.3Å; V946-Y961 PolarHBondContact N-O 3.36Å; L948-Y961 HydrophobicContact CD1-CD1 4.04Å; L948-Y961 HydrophobicContact CD1-CD2 3.59Å; L948-Y961 HydrophobicContact CD1-CE1 3.85Å; L948-Y961 HydrophobicContact CD1-CE2 3.39Å; L948-Y961 HydrophobicContact CD1-CG 3.92Å; L948-Y961 HydrophobicContact CG-CD2 3.95Å; L948-Y961 HydrophobicContact CG-CE2 4.21Å; L948-Y961 HydrophobicContact CG-CG 4.23Å; V959-Y961 HydrophobicContact CB-CE2 4.24Å; V959-Y961 HydrophobicContact CG1-CD2 4.43Å; V959-Y961 HydrophobicContact CG1-CE2 3.91Å; Y961-L974 CarbonylContact C-O 3.35Å; Y961-L974 WeakPolarHBondContact CA-O 3.37Å; Y961-T975 HydrophobicContact CD1-CG2 3.47Å; Y961-T975 VanDerWaalsContact CD1-CG2 3.47Å; Y961-T975 HydrophobicContact CE1-CG2 3.33Å; Y961-T975 HydrophobicContact CG-CG2 4.26Å
962F73.7Confident63.8Low3 Ų338.8 Ų38.81%0.01320%0.2CC..EExtended strand (participates in β ladder)trans-117146.5176.3-62.4-73.4000110.3P901 L943 Q944 L945 L960 G973 L974 W976 W1068P901-F962 HydrophobicContact CG-CD2 4.5Å; P901-F962 HydrophobicContact CG-CE2 4.34Å; L943-F962 HydrophobicContact CD2-CB 4.25Å; Q944-F962 CarbonylContact O-C 3.56Å; Q944-F962 VanDerWaalsContact O-CA 3.29Å; Q944-F962 WeakPolarHBondContact O-CA 3.2Å; L945-F962 HydrophobicContact CB-CD1 4.27Å; L945-F962 HydrophobicContact CB-CE1 3.91Å; L945-F962 HydrophobicContact CD1-CD1 4.14Å; L945-F962 HydrophobicContact CD1-CE1 3.41Å; L945-F962 VanDerWaalsContact CD1-CE1 3.41Å; L945-F962 HydrophobicContact CD1-CZ 3.69Å; L945-F962 HydrophobicContact CG-CE1 4.26Å; L960-F962 HydrophobicContact CB-CE2 3.73Å; L960-F962 HydrophobicContact CB-CZ 3.79Å; L960-F962 HydrophobicContact CD1-CZ 4.17Å; F962-G973 CarbonylContact O-C 3.57Å; F962-G973 WeakPolarHBondContact O-CA 3.39Å; F962-L974 HydrophobicContact CB-CB 3.91Å; F962-L974 PolarHBondContact N-O 2.98Å; F962-L974 PolarHBondContact O-N 2.94Å; F962-W976 HydrophobicContact CD2-CB 4.25Å; F962-W976 HydrophobicContact CE2-CB 3.72Å; F962-W976 HydrophobicContact CE2-CG 4.46Å; F962-W1068 HydrophobicContact CD1-CZ3 4.16Å; F962-W1068 AromaticContact CE1-CE3 3.56Å; F962-W1068 HydrophobicContact CE1-CE3 3.56Å; F962-W1068 AromaticContact CE1-CH2 3.96Å; F962-W1068 HydrophobicContact CE1-CH2 3.96Å; F962-W1068 AromaticContact CE1-CZ3 3.05Å; F962-W1068 HydrophobicContact CE1-CZ3 3.05Å; F962-W1068 HydrophobicContact CE2-CH2 4.2Å; F962-W1068 HydrophobicContact CE2-CZ3 4.08Å; F962-W1068 AromaticContact CZ-CE3 3.75Å; F962-W1068 HydrophobicContact CZ-CE3 3.75Å; F962-W1068 AromaticContact CZ-CH2 3.41Å; F962-W1068 HydrophobicContact CZ-CH2 3.41Å; F962-W1068 VanDerWaalsContact CZ-CH2 3.41Å; F962-W1068 AromaticContact CZ-CZ3 2.99Å; F962-W1068 HydrophobicContact CZ-CZ3 2.99Å
963C67.7Low63.1Low4 Ų439 Ų393%0.02720%0.202CC..EExtended strand (participates in β ladder)trans-116.4153163.155.80000110.8L943 Q944 V946 L971L943-C963 WeakPolarHBondContact CA-O 3.46Å; Q944-C963 PolarHBondContact N-O 3.48Å; Q944-C963 PolarHBondContact O-N 2.9Å; Q944-C963 PolarHBondContact O-SG 2.93Å; V946-C963 HydrophobicContact CG2-CB 3.87Å; V946-C963 WeakPolarHBondContact CG2-SG 3.21Å; C963-L971 HydrophobicContact CB-CD2 3.45Å; C963-L971 VanDerWaalsContact CB-CD2 3.45Å
964Y65.1Low62.7Low38 Ų3838.5 Ų38.515%0.14920%0.199CC..EExtended strand (participates in β ladder)trans-76.5141161.6-107.4-103.2000110.1W929 L938 V942 L943 L974W929-Y964 AromaticContact CH2-CD2 3.94Å; W929-Y964 HydrophobicContact CH2-CD2 3.94Å; W929-Y964 AromaticContact CH2-CE2 3.28Å; W929-Y964 HydrophobicContact CH2-CE2 3.28Å; W929-Y964 AromaticContact CH2-CZ 3.73Å; W929-Y964 AromaticContact CZ2-CD2 3.56Å; W929-Y964 HydrophobicContact CZ2-CD2 3.56Å; W929-Y964 AromaticContact CZ2-CE2 3.43Å; W929-Y964 HydrophobicContact CZ2-CE2 3.43Å; W929-Y964 VanDerWaalsContact CZ2-CE2 3.43Å; W929-Y964 HydrophobicContact CZ2-CG 4.34Å; L938-Y964 HydrophobicContact CD2-CE2 4.23Å; V942-Y964 HydrophobicContact CB-CD1 4.1Å; V942-Y964 HydrophobicContact CB-CE1 3.86Å; V942-Y964 HydrophobicContact CG1-CD1 3.36Å; V942-Y964 HydrophobicContact CG1-CE1 3.57Å; V942-Y964 HydrophobicContact CG1-CG 4.25Å; L943-Y964 HydrophobicContact CD2-CD2 3.8Å; L943-Y964 HydrophobicContact CD2-CE2 3.65Å; L943-Y964 HydrophobicContact CG-CE2 4.49Å; Y964-L974 HydrophobicContact CD2-CD1 4.27Å; Y964-L974 HydrophobicContact CE2-CD1 4.24Å
965D54.8Low62.3Low51 Ų5138.6 Ų38.627%0.27320%0.2SC..  trans-43.6126.2178.1-175-18.5000112.2V942 H967 Y968V942-D965 HydrophobicContact CG1-CB 3.59Å; V942-D965 PolarHBondContact O-N 2.95Å; D965-H967 PolarHBondContact O-N 2.96Å; D965-H967 IonicContact OD1-CD2 3.68Å; D965-H967 PolarHBondContact OD1-CD2 3.14Å; D965-H967 VanDerWaalsContact OD1-CD2 3.23Å; D965-H967 IonicContact OD1-CG 3.73Å; D965-H967 PolarHBondContact OD1-N 3.37Å; D965-H967 IonicContact OD2-CD2 2.84Å; D965-Y968 HydrophobicContact CB-CD2 4.36Å; D965-Y968 PolarHBondContact O-N 3.01Å
966P49.4Very low62.2Low76 Ų7637.6 Ų37.649%0.49419%0.194SC..THydrogen-bonded Turntrans-61.8-12.4-179.725.9-36.7000114.9Y968P966-Y968 CarbonylContact O-C 3.5Å; P966-Y968 PolarHBondContact O-N 2.86Å
967H47.2Very low62Low138 Ų13837.7 Ų37.764%0.63920%0.196SC*.THydrogen-bonded Turntrans-60-19.6166.6-72.4-59.1000112.3D965D965-H967 PolarHBondContact O-N 2.96Å; D965-H967 IonicContact OD1-CD2 3.68Å; D965-H967 PolarHBondContact OD1-CD2 3.14Å; D965-H967 VanDerWaalsContact OD1-CD2 3.23Å; D965-H967 IonicContact OD1-CG 3.73Å; D965-H967 PolarHBondContact OD1-N 3.37Å; D965-H967 IonicContact OD2-CD2 2.84Å
968Y44.1Very low61.8Low154 Ų15440.6 Ų40.660%0.60421%0.209SC*.SBendtrans-102.7112.2162.5-56.4-84.3000107.8V942 D965 P966 Q970V942-Y968 HydrophobicContact CG1-CD2 4.07Å; V942-Y968 HydrophobicContact CG1-CE2 4.09Å; D965-Y968 HydrophobicContact CB-CD2 4.36Å; D965-Y968 PolarHBondContact O-N 3.01Å; P966-Y968 CarbonylContact O-C 3.5Å; P966-Y968 PolarHBondContact O-N 2.86Å; Y968-Q970 PolarHBondContact O-N 2.72Å
969S40.6Very low61.3Low114 Ų11442.7 Ų42.780%0.79722%0.221SC*.SBendtrans-70.231.6-162.9600000116.8
970Q46Very low60.3Low75 Ų7545.9 Ų45.935%0.3524%0.24SC..  trans-139.192.2179.6-64.3-172.4-0.100111.1Y968 S972Y968-Q970 PolarHBondContact O-N 2.72Å; Q970-S972 PolarHBondContact O-N 2.96Å; Q970-S972 PolarHBondContact O-OG 3.17Å
971L44.3Very low58.6Low29 Ų2949.7 Ų49.715%0.15227%0.268CS..  trans-58.8101.2165.3-78.2154.5000108.7R386 V391 L912 C963R386-L971 HydrophobicContact CG-CB 4.32Å; R386-L971 PolarHBondContact NE-O 3.06Å; R386-L971 PolarHBondContact NH2-O 2.8Å; V391-L971 HydrophobicContact CB-CD1 4.48Å; V391-L971 HydrophobicContact CG1-CD1 3.42Å; V391-L971 VanDerWaalsContact CG1-CD1 3.42Å; V391-L971 HydrophobicContact CG1-CD2 3.72Å; V391-L971 HydrophobicContact CG1-CG 4.15Å; V391-L971 HydrophobicContact CG2-CD1 4.24Å; L912-L971 VanDerWaalsContact CD1-O 3.29Å; L912-L971 WeakPolarHBondContact CD1-O 3.23Å; C963-L971 HydrophobicContact CB-CD2 3.45Å; C963-L971 VanDerWaalsContact CB-CD2 3.45Å
972S55.5Low56.6Low13 Ų1355.1 Ų55.19%0.09129%0.294CS..  trans-106.3114.4165.1350000105.6W929 Q970W929-S972 VanDerWaalsContact CD1-CB 3.43Å; W929-S972 PolarHBondContact NE1-OG 3.38Å; Q970-S972 PolarHBondContact O-N 2.96Å; Q970-S972 PolarHBondContact O-OG 3.17Å
973G62.8Low54.3Low4 Ų458.9 Ų58.94%0.04132%0.321CS..EExtended strand (participates in β ladder)trans-72.9136178.200000109.2C910 F962C910-G973 WeakPolarHBondContact CB-O 3.4Å; C910-G973 PolarHBondContact N-O 3.27Å; F962-G973 CarbonylContact O-C 3.57Å; F962-G973 WeakPolarHBondContact O-CA 3.39Å
974L71.7Confident52.3Low1 Ų166.7 Ų66.71%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-122.1127.6-179.5-81.9-174.2000107.4V907 P909 W929 L938 L943 Y961 F962 Y964V907-L974 HydrophobicContact CB-CD2 4.45Å; V907-L974 HydrophobicContact CG1-CB 3.42Å; V907-L974 VanDerWaalsContact CG1-CB 3.42Å; V907-L974 HydrophobicContact CG1-CD1 4.33Å; V907-L974 HydrophobicContact CG1-CD2 3.59Å; V907-L974 HydrophobicContact CG1-CG 3.9Å; P909-L974 HydrophobicContact CB-CD2 4.32Å; W929-L974 HydrophobicContact CD2-CD2 4.26Å; W929-L974 HydrophobicContact CZ2-CD1 4.44Å; L938-L974 HydrophobicContact CD2-CD1 4.11Å; L943-L974 HydrophobicContact CD2-CD1 3.64Å; Y961-L974 CarbonylContact C-O 3.35Å; Y961-L974 WeakPolarHBondContact CA-O 3.37Å; F962-L974 HydrophobicContact CB-CB 3.91Å; F962-L974 PolarHBondContact N-O 2.98Å; F962-L974 PolarHBondContact O-N 2.94Å; Y964-L974 HydrophobicContact CD2-CD1 4.27Å; Y964-L974 HydrophobicContact CE2-CD1 4.24Å
975T71.6Confident50.4Low11 Ų1169.5 Ų69.57%0.06738%0.378CS..EExtended strand (participates in β ladder)trans-110.4133.9-179.853.60000112.1V907 S908 V959 L960 Y961V907-T975 CarbonylContact C-O 3.38Å; V907-T975 WeakPolarHBondContact CA-O 3.31Å; V907-T975 VanDerWaalsContact CG1-O 3.23Å; V907-T975 WeakPolarHBondContact CG1-O 3.35Å; S908-T975 VanDerWaalsContact CB-OG1 3.32Å; S908-T975 WeakPolarHBondContact CB-OG1 3.18Å; S908-T975 PolarHBondContact N-O 2.79Å; S908-T975 PolarHBondContact O-N 3.34Å; S908-T975 PolarHBondContact O-OG1 3.47Å; V959-T975 HydrophobicContact CG1-CG2 3.93Å; L960-T975 CarbonylContact O-C 3.56Å; L960-T975 WeakPolarHBondContact O-CA 3.31Å; Y961-T975 HydrophobicContact CD1-CG2 3.47Å; Y961-T975 VanDerWaalsContact CD1-CG2 3.47Å; Y961-T975 HydrophobicContact CE1-CG2 3.33Å; Y961-T975 HydrophobicContact CG-CG2 4.26Å
976W75.1Confident48.9Very low2 Ų272.7 Ų72.71%0.00841%0.405CS..EExtended strand (participates in β ladder)trans-134.1142.3-177.5-177.285.6000112.4N893 I896 P901 L960 F962N893-W976 VanDerWaalsContact C-CZ2 3.4Å; N893-W976 WeakPolarHBondContact O-CZ2 3.46Å; N893-W976 PolarHBondContact O-NE1 2.92Å; N893-W976 VanDerWaalsContact O-NE1 3.11Å; I896-W976 HydrophobicContact CG1-CH2 4.48Å; I896-W976 HydrophobicContact CG1-CZ3 4.2Å; P901-W976 HydrophobicContact CB-CG 4.47Å; L960-W976 HydrophobicContact CB-CE3 4.35Å; L960-W976 HydrophobicContact CD1-CE3 3.64Å; L960-W976 HydrophobicContact CD1-CZ3 3.72Å; L960-W976 HydrophobicContact CG-CE3 4.1Å; L960-W976 HydrophobicContact CG-CZ3 4.48Å; L960-W976 PolarHBondContact N-O 3.45Å; L960-W976 PolarHBondContact O-N 2.98Å; F962-W976 HydrophobicContact CD2-CB 4.25Å; F962-W976 HydrophobicContact CE2-CB 3.72Å; F962-W976 HydrophobicContact CE2-CG 4.46Å
977P70.6Confident47.7Very low13 Ų1373.4 Ų73.48%0.08442%0.417CS..SBendcis-63.2159.6-9.828.1-34.8000111.3N893 V979 R1013N893-P977 WeakPolarHBondContact O-CB 3.48Å; P977-V979 PolarHBondContact O-N 3.39Å; P977-R1013 VanDerWaalsContact CG-CZ 3.42Å
978K67.9Low46.6Very low63 Ų6371 Ų7127%0.27441%0.412SS..  trans-49.5108.3175.8-169176.7-179.7179.70110.4E821 R905 D906 S908 V980E821-K978 WeakPolarHBondContact OE1-CE 3.18Å; E821-K978 IonicContact OE1-NZ 3.96Å; E821-K978 PolarHBondContact OE1-NZ 3.26Å; R905-K978 VanDerWaalsContact O-CD 3.24Å; R905-K978 WeakPolarHBondContact O-CD 3.31Å; D906-K978 PolarHBondContact O-N 3.34Å; S908-K978 WeakPolarHBondContact OG-CG 3.42Å; K978-V980 PolarHBondContact O-N 3.45Å
979V58.2Low45.6Very low52 Ų5272.2 Ų72.232%0.31542%0.423SS..  trans-79.2121.5171.9-175.70000106.3S908 V959 P977 S981S908-V979 PolarHBondContact OG-N 3.35Å; S908-V979 PolarHBondContact OG-O 2.89Å; V959-V979 HydrophobicContact CG2-CG2 3.99Å; P977-V979 PolarHBondContact O-N 3.39Å; V979-S981 PolarHBondContact O-N 2.94Å
980V50.7Low44.7Very low84 Ų8475.4 Ų75.451%0.50943%0.426SS..  trans-65.686168.8-1750000106.6K978 Q982K978-V980 PolarHBondContact O-N 3.45Å; V980-Q982 PolarHBondContact O-N 2.57Å
981S40.2Very low43.7Very low86 Ų8678.2 Ų78.260%0.60144%0.442SS*.  trans-57.5137.4160.746.80000105.9V979 S983V979-S981 PolarHBondContact O-N 2.94Å; S981-S983 PolarHBondContact O-N 3.33Å
982Q32.2Very low42.6Very low146 Ų14684.8 Ų84.868%0.68247%0.469SS*.  trans-47114.3162.7-73.4175.4-20.300106.1V980 I984V980-Q982 PolarHBondContact O-N 2.57Å; Q982-I984 PolarHBondContact O-N 3.32Å
983S25.1Very low41.1Very low82 Ų8291.3 Ų91.357%0.57350%0.503SS*.  trans-51.5115.1162.749.70000104.4S981 N985S981-S983 PolarHBondContact O-N 3.33Å; S983-N985 PolarHBondContact O-N 3.06Å; S983-N985 PolarHBondContact OG-OD1 3.46Å
984I26.3Very low39.3Very low168 Ų16895.4 Ų95.486%0.86253%0.527SS*.  trans-54.193158.1-63.2165.9000102.8Q982 S986Q982-I984 PolarHBondContact O-N 3.32Å; I984-S986 PolarHBondContact O-N 3.06Å
985N23.5Very low37.1Very low97 Ų97102.5 Ų102.552%0.51957%0.565SS.*  trans-61.6110.6-179.3-85.1-14.4000104.9S983 A987 T988S983-N985 PolarHBondContact O-N 3.06Å; S983-N985 PolarHBondContact OG-OD1 3.46Å; N985-A987 PolarHBondContact O-N 3.46Å; N985-T988 PolarHBondContact O-N 2.88Å; N985-T988 VanDerWaalsContact O-N 3.11Å
986S24.5Very low35.1Very low119 Ų119105.8 Ų105.883%0.83258%0.581SS**THydrogen-bonded Turntrans-55.7-6.8170.546.20000113I984I984-S986 PolarHBondContact O-N 3.06Å
987A23.6Very low33Very low90 Ų90112 Ų11274%0.74461%0.61SS**THydrogen-bonded Turntrans-91.6-6.8177.500000115.2N985N985-A987 PolarHBondContact O-N 3.46Å
988T23.4Very low31.1Very low87 Ų87114.8 Ų114.853%0.53463%0.625SS.*  trans-128.667.7177.153.90000111.6N985 E990N985-T988 PolarHBondContact O-N 2.88Å; N985-T988 VanDerWaalsContact O-N 3.11Å; T988-E990 PolarHBondContact O-N 2.87Å
989Q23.4Very low29.7Very low181 Ų181113.7 Ų113.785%0.84662%0.62SS**THydrogen-bonded Turntrans-65.812.3164.3-78.9-177.3-2400113.7
990E23.1Very low28.5Very low181 Ų181112.8 Ų112.885%0.84662%0.616SS**THydrogen-bonded Turntrans-98.3-8.2-177.2-72.3-165.9154.500115.2T988 K992T988-E990 PolarHBondContact O-N 2.87Å; E990-K992 PolarHBondContact O-N 3.47Å
991I23.5Very low27.7Very low134 Ų134113.1 Ų113.169%0.68762%0.615SS**  trans-90.172.8171.1-50.9179.3000109.1
992K22.5Very low27.8Very low166 Ų166111.9 Ų111.972%0.72260%0.6SS**  trans-61.2139.3164-68.3175.5174.7177.70109.5E990E990-K992 PolarHBondContact O-N 3.47Å
993N24.2Very low28.3Very low150 Ų150105.8 Ų105.880%0.80257%0.573SS**SBendtrans75.421.8151.6-60.5-3.8000120.6
994T24Very low29.3Very low91 Ų91104 Ų10456%0.55856%0.56SS**  trans-125.255.3164.350.80000111.9I996T994-I996 CarbonylContact O-C 3.58Å; T994-I996 PolarHBondContact O-N 3.44Å; T994-I996 VanDerWaalsContact O-N 3.12Å
995N24.8Very low30.7Very low150 Ų15097.1 Ų97.180%0.80252%0.524SS*.  trans-685.4159.2-86.1-14.2000112.7Q997N995-Q997 PolarHBondContact O-N 3.05Å
996I31.1Very low32.4Very low80 Ų8093.7 Ų93.741%0.4151%0.506SS..  trans-64.184.3147.3-39.3171000105.5T994 N998T994-I996 CarbonylContact O-C 3.58Å; T994-I996 PolarHBondContact O-N 3.44Å; T994-I996 VanDerWaalsContact O-N 3.12Å; I996-N998 HydrophobicContact CG2-CB 4.34Å; I996-N998 WeakPolarHBondContact CG2-OD1 3.26Å; I996-N998 PolarHBondContact O-N 3.21Å
997Q31.2Very low34Very low131 Ų13188.7 Ų88.761%0.61247%0.47SS*.  trans-57.197.1139.5-78.9-172.6-13.100102.6N995 E999N995-Q997 PolarHBondContact O-N 3.05Å; Q997-E999 PolarHBondContact O-N 3.5Å
998N30.3Very low35.6Very low73 Ų7389.2 Ų89.239%0.3946%0.456SS..  trans-52.3122.2167.8-80.4-46.9000101.9I996 C1000 D1001I996-N998 HydrophobicContact CG2-CB 4.34Å; I996-N998 WeakPolarHBondContact CG2-OD1 3.26Å; I996-N998 PolarHBondContact O-N 3.21Å; N998-C1000 HydrophobicContact CB-CB 4.1Å; N998-C1000 CarbonylContact O-C 3.56Å; N998-C1000 PolarHBondContact O-N 3.07Å; N998-D1001 WeakPolarHBondContact O-CA 3.48Å; N998-D1001 VanDerWaalsContact O-CB 3.31Å; N998-D1001 WeakPolarHBondContact O-CB 3.1Å; N998-D1001 PolarHBondContact O-N 2.89Å
999E38.5Very low37.2Very low39 Ų3990.5 Ų90.518%0.18246%0.456CS..G310 helixtrans-57.7-21.6176.3-66.3-177.2-172.500108.5L562 W563 Q997 D1001 Q1002 V1003L562-E999 HydrophobicContact CD2-CB 3.63Å; L562-E999 WeakPolarHBondContact CD2-O 3.33Å; W563-E999 HydrophobicContact CZ2-CB 4.29Å; W563-E999 WeakPolarHBondContact CZ2-OE2 3.33Å; W563-E999 PolarHBondContact NE1-OE2 2.67Å; Q997-E999 PolarHBondContact O-N 3.5Å; E999-D1001 PolarHBondContact O-N 3.44Å; E999-Q1002 WeakPolarHBondContact O-CA 3.22Å; E999-Q1002 WeakPolarHBondContact O-CB 3.35Å; E999-Q1002 PolarHBondContact O-N 3.27Å; E999-V1003 PolarHBondContact O-N 3.12Å
1000C31.6Very low38.5Very low33 Ų3383 Ų8322%0.22342%0.421CS..G310 helixtrans-56.3-32.4162.3-106.70000116.9D558 N998 Q1002 V1003 S1004D558-C1000 PolarHBondContact OD1-SG 3.3Å; N998-C1000 HydrophobicContact CB-CB 4.1Å; N998-C1000 CarbonylContact O-C 3.56Å; N998-C1000 PolarHBondContact O-N 3.07Å; C1000-Q1002 PolarHBondContact O-N 2.77Å; C1000-V1003 WeakPolarHBondContact O-CA 3.48Å; C1000-V1003 WeakPolarHBondContact O-CB 3.41Å; C1000-V1003 PolarHBondContact O-N 3.28Å; C1000-S1004 PolarHBondContact O-N 3.2Å; C1000-S1004 VanDerWaalsContact O-N 3.07Å
1001D35.2Very low39.8Very low92 Ų9274.5 Ų74.549%0.49238%0.381SS..G310 helixtrans-60.8-25.2169.1-68.5-21.5000110.6N998 E999 S1004N998-D1001 WeakPolarHBondContact O-CA 3.48Å; N998-D1001 VanDerWaalsContact O-CB 3.31Å; N998-D1001 WeakPolarHBondContact O-CB 3.1Å; N998-D1001 PolarHBondContact O-N 2.89Å; E999-D1001 PolarHBondContact O-N 3.44Å; D1001-S1004 WeakPolarHBondContact CA-OG 3.33Å; D1001-S1004 CarbonylContact O-C 2.97Å; D1001-S1004 PolarHBondContact O-N 2.92Å; D1001-S1004 PolarHBondContact O-OG 3.22Å
1002Q41.9Very low41.4Very low60 Ų6070.4 Ų70.428%0.2836%0.362SS..G310 helixtrans-76-20.6168.9-47.7-176-0.400113.1E999 C1000E999-Q1002 WeakPolarHBondContact O-CA 3.22Å; E999-Q1002 WeakPolarHBondContact O-CB 3.35Å; E999-Q1002 PolarHBondContact O-N 3.27Å; C1000-Q1002 PolarHBondContact O-N 2.77Å
1003V42.1Very low43.8Very low18 Ų1863.8 Ų63.811%0.10933%0.333CS..THydrogen-bonded Turntrans-71.8-40.9169-175.50000109.6L562 L690 E999 C1000 F1005L562-V1003 HydrophobicContact CB-CG2 3.54Å; L562-V1003 HydrophobicContact CD1-CG2 3.7Å; L562-V1003 HydrophobicContact CD2-CG2 4.28Å; L562-V1003 HydrophobicContact CG-CG2 4.03Å; L690-V1003 HydrophobicContact CD2-CG1 4.07Å; E999-V1003 PolarHBondContact O-N 3.12Å; C1000-V1003 WeakPolarHBondContact O-CA 3.48Å; C1000-V1003 WeakPolarHBondContact O-CB 3.41Å; C1000-V1003 PolarHBondContact O-N 3.28Å; V1003-F1005 VanDerWaalsContact C-N 3.33Å; V1003-F1005 PolarHBondContact O-N 3.18Å
1004S46.2Very low46.5Very low44 Ų4456.8 Ų56.831%0.30830%0.295SS..SBendtrans-75.285.417358.10000111C1000 D1001 N1006C1000-S1004 PolarHBondContact O-N 3.2Å; C1000-S1004 VanDerWaalsContact O-N 3.07Å; D1001-S1004 WeakPolarHBondContact CA-OG 3.33Å; D1001-S1004 CarbonylContact O-C 2.97Å; D1001-S1004 PolarHBondContact O-N 2.92Å; D1001-S1004 PolarHBondContact O-OG 3.22Å; S1004-N1006 PolarHBondContact O-N 3.21Å
1005F56.4Low49.3Very low24 Ų2452.7 Ų52.711%0.10527%0.27CS..  trans-36.9119.7164.3176-100.4000111.9Y479 Q693 F755 V1003 P1007 M1010Y479-F1005 HydrophobicContact CD1-CD2 4.48Å; Y479-F1005 AromaticContact CD1-CE2 3.91Å; Y479-F1005 HydrophobicContact CD1-CE2 3.91Å; Y479-F1005 HydrophobicContact CD1-CZ 4.24Å; Y479-F1005 AromaticContact CD2-CD2 3.85Å; Y479-F1005 HydrophobicContact CD2-CD2 3.85Å; Y479-F1005 AromaticContact CD2-CE2 3.56Å; Y479-F1005 HydrophobicContact CD2-CE2 3.56Å; Y479-F1005 AromaticContact CE1-CD2 3.94Å; Y479-F1005 HydrophobicContact CE1-CD2 3.94Å; Y479-F1005 AromaticContact CE1-CE2 3.79Å; Y479-F1005 HydrophobicContact CE1-CE2 3.79Å; Y479-F1005 HydrophobicContact CE1-CG 4.41Å; Y479-F1005 HydrophobicContact CE1-CZ 4.16Å; Y479-F1005 AromaticContact CE2-CD2 3.22Å; Y479-F1005 HydrophobicContact CE2-CD2 3.22Å; Y479-F1005 AromaticContact CE2-CE2 3.44Å; Y479-F1005 HydrophobicContact CE2-CE2 3.44Å; Y479-F1005 VanDerWaalsContact CE2-CE2 3.44Å; Y479-F1005 HydrophobicContact CE2-CG 4.19Å; Y479-F1005 HydrophobicContact CG-CD2 4.45Å; Y479-F1005 AromaticContact CG-CE2 3.82Å; Y479-F1005 HydrophobicContact CG-CE2 3.82Å; Y479-F1005 HydrophobicContact CG-CZ 4.46Å; Y479-F1005 AromaticContact CZ-CD2 3.27Å; Y479-F1005 AromaticContact CZ-CE2 3.55Å; Y479-F1005 AromaticContact CZ-CG 3.82Å; Y479-F1005 WeakPolarHBondContact OH-CD2 3.47Å; Q693-F1005 VanDerWaalsContact NE2-N 3.17Å; F755-F1005 HydrophobicContact CE1-CD1 4.23Å; F755-F1005 VanDerWaalsContact CE1-O 3.27Å; F755-F1005 WeakPolarHBondContact CE1-O 3.18Å; F755-F1005 WeakPolarHBondContact CZ-O 3.44Å; V1003-F1005 VanDerWaalsContact C-N 3.33Å; V1003-F1005 PolarHBondContact O-N 3.18Å; F1005-P1007 HydrophobicContact CE1-CB 4.33Å; F1005-P1007 WeakPolarHBondContact O-CD 3.32Å; F1005-M1010 HydrophobicContact CE1-SD 4.28Å; F1005-M1010 HydrophobicContact CE2-CG 4.44Å; F1005-M1010 HydrophobicContact CZ-CB 3.87Å; F1005-M1010 HydrophobicContact CZ-CE 3.94Å; F1005-M1010 HydrophobicContact CZ-CG 3.71Å; F1005-M1010 HydrophobicContact CZ-SD 3.69Å
1006N59.6Low51.9Low25 Ų2546.1 Ų46.113%0.13424%0.235CC..  trans-86.7113.7173.4-167-30.8000108.8S1004 K1008 Q1009S1004-N1006 PolarHBondContact O-N 3.21Å; N1006-K1008 PolarHBondContact O-N 2.86Å; N1006-K1008 VanDerWaalsContact OD1-CB 3.26Å; N1006-K1008 WeakPolarHBondContact OD1-CB 3.34Å; N1006-K1008 WeakPolarHBondContact OD1-CG 3.24Å; N1006-K1008 PolarHBondContact OD1-N 3.04Å; N1006-Q1009 HydrophobicContact CB-CG 4.2Å; N1006-Q1009 WeakPolarHBondContact O-CB 3.38Å; N1006-Q1009 PolarHBondContact O-N 3.14Å
1007P56.5Low54.5Low13 Ų1342.3 Ų42.38%0.08422%0.216CC..G310 helixtrans-56.7-22.9179.822.2-32.2000112.7F755 F1005 Q1009 M1010F755-P1007 HydrophobicContact CD2-CG 4.23Å; F755-P1007 HydrophobicContact CE1-CG 4.46Å; F755-P1007 HydrophobicContact CE2-CG 4.09Å; F755-P1007 HydrophobicContact CG-CG 4.49Å; F755-P1007 HydrophobicContact CZ-CG 4.22Å; F1005-P1007 HydrophobicContact CE1-CB 4.33Å; F1005-P1007 WeakPolarHBondContact O-CD 3.32Å; P1007-Q1009 VanDerWaalsContact C-N 3.27Å; P1007-Q1009 PolarHBondContact O-N 2.75Å; P1007-M1010 WeakPolarHBondContact O-CB 3.28Å; P1007-M1010 PolarHBondContact O-N 3.48Å
1008K57.3Low57.2Low101 Ų10136.1 Ų36.144%0.43919%0.187SC..G310 helixtrans-65.9-24.5175.6-61.5173.9179.31660113.9N1006 M1010N1006-K1008 PolarHBondContact O-N 2.86Å; N1006-K1008 VanDerWaalsContact OD1-CB 3.26Å; N1006-K1008 WeakPolarHBondContact OD1-CB 3.34Å; N1006-K1008 WeakPolarHBondContact OD1-CG 3.24Å; N1006-K1008 PolarHBondContact OD1-N 3.04Å; K1008-M1010 VanDerWaalsContact C-N 3.34Å
1009Q56.8Low59.8Low115 Ų11532.6 Ų32.654%0.53717%0.168SC..G310 helixtrans-79.3-15.5179.1-69.2177.8-10.200113.3N1006 P1007 N1011 T1012N1006-Q1009 HydrophobicContact CB-CG 4.2Å; N1006-Q1009 WeakPolarHBondContact O-CB 3.38Å; N1006-Q1009 PolarHBondContact O-N 3.14Å; P1007-Q1009 VanDerWaalsContact C-N 3.27Å; P1007-Q1009 PolarHBondContact O-N 2.75Å; Q1009-N1011 VanDerWaalsContact C-N 3.27Å; Q1009-N1011 PolarHBondContact O-N 2.84Å; Q1009-T1012 WeakPolarHBondContact O-CG2 3.47Å; Q1009-T1012 PolarHBondContact O-OG1 3.25Å
1010M50.8Low62.1Low24 Ų2430.8 Ų30.812%0.11816%0.16CC..G310 helixtrans-71-19.5-173.8-146.2-179.4-158.400113.6Y479 P758 N833 F1005 P1007 K1008 T1012Y479-M1010 HydrophobicContact CD1-CE 3.69Å; Y479-M1010 HydrophobicContact CG-CE 4.17Å; P758-M1010 HydrophobicContact CB-SD 4.47Å; N833-M1010 PolarHBondContact ND2-SD 3.4Å; F1005-M1010 HydrophobicContact CE1-SD 4.28Å; F1005-M1010 HydrophobicContact CE2-CG 4.44Å; F1005-M1010 HydrophobicContact CZ-CB 3.87Å; F1005-M1010 HydrophobicContact CZ-CE 3.94Å; F1005-M1010 HydrophobicContact CZ-CG 3.71Å; F1005-M1010 HydrophobicContact CZ-SD 3.69Å; P1007-M1010 WeakPolarHBondContact O-CB 3.28Å; P1007-M1010 PolarHBondContact O-N 3.48Å; K1008-M1010 VanDerWaalsContact C-N 3.34Å; M1010-T1012 VanDerWaalsContact C-N 3.28Å; M1010-T1012 PolarHBondContact O-N 3.43Å
1011N52Low64.7Low1 Ų129.4 Ų29.41%0.00515%0.15CC..G310 helixtrans-80.2-2.7-176.8-83.1-1.5000114.8E824 T828 N833 Q1009 R1013E824-N1011 HydrophobicContact CB-CB 4.02Å; E824-N1011 HydrophobicContact CG-CB 4.08Å; E824-N1011 PolarHBondContact O-ND2 3.32Å; T828-N1011 WeakPolarHBondContact CG2-ND2 3.16Å; N833-N1011 WeakPolarHBondContact CA-OD1 3.1Å; N833-N1011 WeakPolarHBondContact CB-OD1 3.37Å; Q1009-N1011 VanDerWaalsContact C-N 3.27Å; Q1009-N1011 PolarHBondContact O-N 2.84Å; N1011-R1013 PolarHBondContact O-N 3.32Å; N1011-R1013 VanDerWaalsContact O-N 3.12Å
1012T56.2Low67.2Low48 Ų4825.1 Ų25.129%0.29413%0.127SC..G310 helixtrans-76.31.3-169.855.20000115.4Q1009 M1010Q1009-T1012 WeakPolarHBondContact O-CG2 3.47Å; Q1009-T1012 PolarHBondContact O-OG1 3.25Å; M1010-T1012 VanDerWaalsContact C-N 3.28Å; M1010-T1012 PolarHBondContact O-N 3.43Å
1013R74Confident69.2Low28 Ų2823.4 Ų23.411%0.10612%0.12CC..  trans-143.2136.8-174.3-63.5-78.9-179.6154.61.7113.1F476 T834 T958 P977 N1011F476-R1013 HydrophobicContact CE2-CG 3.93Å; T834-R1013 PolarHBondContact OG1-O 3.26Å; T958-R1013 PolarHBondContact O-NH2 2.88Å; P977-R1013 VanDerWaalsContact CG-CZ 3.42Å; N1011-R1013 PolarHBondContact O-N 3.32Å; N1011-R1013 VanDerWaalsContact O-N 3.12Å
1014Y80.6Confident71.2Confident2 Ų222.8 Ų22.81%0.00812%0.116CC..  trans-97-4.1-178.9-58.3-71.6000114.5E824 T834 M886 R889 E894 P1016 L1017 M1018E824-Y1014 PolarHBondContact OE1-OH 3.21Å; T834-Y1014 HydrophobicContact CG2-CD1 4.28Å; M886-Y1014 HydrophobicContact CG-CD1 3.27Å; M886-Y1014 HydrophobicContact CG-CD2 4.47Å; M886-Y1014 HydrophobicContact CG-CE1 3.76Å; M886-Y1014 HydrophobicContact CG-CG 3.7Å; M886-Y1014 HydrophobicContact SD-CD1 3.95Å; M886-Y1014 HydrophobicContact SD-CG 3.91Å; R889-Y1014 PolarHBondContact NH1-OH 3.44Å; R889-Y1014 VanDerWaalsContact NH1-OH 3.12Å; E894-Y1014 VanDerWaalsContact CD-CD2 3.46Å; E894-Y1014 WeakPolarHBondContact OE1-CD2 3.23Å; E894-Y1014 VanDerWaalsContact OE1-CE2 3.23Å; E894-Y1014 WeakPolarHBondContact OE1-CE2 3.29Å; E894-Y1014 PolarHBondContact OE2-N 3.48Å; Y1014-P1016 VanDerWaalsContact C-N 3.33Å; Y1014-L1017 HydrophobicContact CD1-CD1 4.28Å; Y1014-L1017 WeakPolarHBondContact O-CB 3.17Å; Y1014-L1017 PolarHBondContact O-N 3.48Å; Y1014-M1018 PolarHBondContact O-N 3.41Å; Y1014-M1018 VanDerWaalsContact O-N 3.07Å
1015L81.7Confident73Confident5 Ų520.9 Ų20.93%0.02610%0.103CC..Hα-helixtrans-51.4-38.6178.5-161.768.7000115I485 F890 L1017 M1018 S1019 L1095 I1098 E1099 L1102I485-L1015 HydrophobicContact CD1-CB 4.29Å; I485-L1015 HydrophobicContact CD1-CD2 3.85Å; I485-L1015 HydrophobicContact CD1-CG 3.86Å; F890-L1015 HydrophobicContact CE2-CD1 4.07Å; F890-L1015 HydrophobicContact CZ-CD1 4.08Å; L1015-L1017 VanDerWaalsContact C-N 3.32Å; L1015-L1017 PolarHBondContact O-N 3.27Å; L1015-M1018 WeakPolarHBondContact O-CB 3.38Å; L1015-M1018 PolarHBondContact O-N 3.33Å; L1015-S1019 PolarHBondContact O-N 3.03Å; L1015-L1095 HydrophobicContact CD2-CD2 4.21Å; L1015-I1098 HydrophobicContact CD1-CG2 4.1Å; L1015-I1098 HydrophobicContact CD2-CB 4.31Å; L1015-I1098 HydrophobicContact CD2-CD1 3.98Å; L1015-I1098 HydrophobicContact CD2-CG2 3.72Å; L1015-I1098 HydrophobicContact CG-CG2 4.12Å; L1015-E1099 HydrophobicContact CD1-CG 4.48Å; L1015-L1102 HydrophobicContact CD1-CD1 3.85Å
1016P80.8Confident74.3Confident12 Ų1221.8 Ų21.88%0.07811%0.107CC..Hα-helixtrans-64.9-35.3176.9-18.431.3000112.9P484 I485 A838 Y1014 S1019 A1020P484-P1016 HydrophobicContact CB-CB 4.23Å; P484-P1016 HydrophobicContact CG-CB 3.77Å; I485-P1016 HydrophobicContact CD1-CG 4.45Å; A838-P1016 HydrophobicContact CB-CB 4.28Å; A838-P1016 WeakPolarHBondContact CB-O 3.43Å; Y1014-P1016 VanDerWaalsContact C-N 3.33Å; P1016-S1019 PolarHBondContact O-N 2.81Å; P1016-A1020 PolarHBondContact O-N 2.77Å
1017L85.7Confident75.2Confident0 Ų021.9 Ų21.90%011%0.11CC..Hα-helixtrans-70.4-38.4174.9-69.8172.6000111.2T834 M837 A838 F882 W883 M886 Y1014 L1015 S1019 A1020 I1021T834-L1017 HydrophobicContact CG2-CD1 3.93Å; T834-L1017 HydrophobicContact CG2-CG 4.46Å; M837-L1017 HydrophobicContact CB-CD2 3.76Å; M837-L1017 HydrophobicContact CE-CD2 4.32Å; A838-L1017 HydrophobicContact CB-CD2 4.25Å; F882-L1017 HydrophobicContact CZ-CD1 4.48Å; W883-L1017 HydrophobicContact CH2-CD2 3.89Å; W883-L1017 HydrophobicContact CZ3-CB 4.25Å; W883-L1017 HydrophobicContact CZ3-CD2 4.07Å; M886-L1017 HydrophobicContact CE-CB 4Å; M886-L1017 HydrophobicContact CE-CD1 4.18Å; Y1014-L1017 HydrophobicContact CD1-CD1 4.28Å; Y1014-L1017 WeakPolarHBondContact O-CB 3.17Å; Y1014-L1017 PolarHBondContact O-N 3.48Å; L1015-L1017 VanDerWaalsContact C-N 3.32Å; L1015-L1017 PolarHBondContact O-N 3.27Å; L1017-S1019 VanDerWaalsContact C-N 3.34Å; L1017-S1019 PolarHBondContact O-N 2.89Å; L1017-A1020 PolarHBondContact O-N 3.36Å; L1017-I1021 VanDerWaalsContact O-CG1 3.31Å; L1017-I1021 WeakPolarHBondContact O-CG1 3.32Å; L1017-I1021 PolarHBondContact O-N 3.48Å
1018M86.6Confident76.1Confident1 Ų121.5 Ų21.51%0.00511%0.107CC..Hα-helixtrans-56.6-48.7172.3-65.6-56.8-67.300111.5L887 F890 Y1014 L1015 A1020 I1021 V1022 L1052 W1055 L1102L887-M1018 HydrophobicContact CD2-CE 3.66Å; L887-M1018 HydrophobicContact CD2-SD 3.11Å; L887-M1018 WeakPolarHBondContact CD2-SD 3.43Å; L887-M1018 HydrophobicContact CG-SD 4.47Å; F890-M1018 HydrophobicContact CD1-CE 4.03Å; F890-M1018 HydrophobicContact CD1-CG 3.98Å; F890-M1018 HydrophobicContact CD1-SD 3.89Å; F890-M1018 HydrophobicContact CD2-CG 4.22Å; F890-M1018 HydrophobicContact CE1-CE 3.96Å; F890-M1018 HydrophobicContact CE1-CG 3.92Å; F890-M1018 HydrophobicContact CE1-SD 4.21Å; F890-M1018 HydrophobicContact CE2-CG 4.17Å; F890-M1018 HydrophobicContact CG-CG 4.14Å; F890-M1018 HydrophobicContact CG-SD 4.28Å; F890-M1018 HydrophobicContact CZ-CG 4.02Å; Y1014-M1018 PolarHBondContact O-N 3.41Å; Y1014-M1018 VanDerWaalsContact O-N 3.07Å; L1015-M1018 WeakPolarHBondContact O-CB 3.38Å; L1015-M1018 PolarHBondContact O-N 3.33Å; M1018-A1020 VanDerWaalsContact C-N 3.34Å; M1018-A1020 PolarHBondContact O-N 3.27Å; M1018-I1021 PolarHBondContact O-N 2.92Å; M1018-V1022 WeakPolarHBondContact O-CG2 3.23Å; M1018-V1022 PolarHBondContact O-N 2.74Å; M1018-V1022 VanDerWaalsContact O-N 3.09Å; M1018-L1052 HydrophobicContact CE-CD2 3.94Å; M1018-W1055 HydrophobicContact CE-CD2 4.45Å; M1018-W1055 HydrophobicContact CE-CE3 3.62Å; M1018-W1055 HydrophobicContact CE-CH2 4.03Å; M1018-W1055 HydrophobicContact CE-CZ3 3.37Å; M1018-L1102 HydrophobicContact CB-CD1 4.08Å
1019S85.7Confident76.9Confident0 Ų017.2 Ų17.20%09%0.089CC..Hα-helixtrans-58-46.1176-178.80000111.9P484 L1015 P1016 L1017 I1021 V1022 N1023P484-S1019 PolarHBondContact O-OG 3.11Å; L1015-S1019 PolarHBondContact O-N 3.03Å; P1016-S1019 PolarHBondContact O-N 2.81Å; L1017-S1019 VanDerWaalsContact C-N 3.34Å; L1017-S1019 PolarHBondContact O-N 2.89Å; S1019-I1021 PolarHBondContact O-N 2.89Å; S1019-V1022 PolarHBondContact O-N 2.83Å; S1019-N1023 WeakPolarHBondContact O-CB 3.35Å; S1019-N1023 VanDerWaalsContact O-CG 3.32Å; S1019-N1023 PolarHBondContact O-N 3.39Å; S1019-N1023 PolarHBondContact O-ND2 2.74Å; S1019-N1023 VanDerWaalsContact O-ND2 3.15Å; S1019-N1023 PolarHBondContact OG-ND2 3.32Å
1020A86.2Confident77.4Confident1 Ų115.5 Ų15.51%0.0088%0.082CC..Hα-helixtrans-59.3-46.5178.100000112A838 T842 P1016 L1017 M1018 V1022 N1023 I1024A838-A1020 HydrophobicContact CB-CB 3.73Å; T842-A1020 HydrophobicContact CG2-CB 3.8Å; P1016-A1020 PolarHBondContact O-N 2.77Å; L1017-A1020 PolarHBondContact O-N 3.36Å; M1018-A1020 VanDerWaalsContact C-N 3.34Å; M1018-A1020 PolarHBondContact O-N 3.27Å; A1020-V1022 VanDerWaalsContact C-N 3.33Å; A1020-V1022 PolarHBondContact O-N 3.23Å; A1020-N1023 PolarHBondContact O-N 3.12Å; A1020-I1024 HydrophobicContact CB-CD1 4.37Å; A1020-I1024 WeakPolarHBondContact O-CB 3.17Å; A1020-I1024 WeakPolarHBondContact O-CD1 3.44Å; A1020-I1024 WeakPolarHBondContact O-CG1 3.2Å; A1020-I1024 PolarHBondContact O-N 3.44Å
1021I86.6Confident78Confident4 Ų420 Ų202%0.02110%0.103CC..Hα-helixtrans-57.4-47.7177.9-67.3164.6000110.5W883 M886 L887 L1017 M1018 S1019 I1024 L1025 L1052W883-I1021 HydrophobicContact CE3-CD1 3.81Å; W883-I1021 HydrophobicContact CE3-CG1 4.37Å; W883-I1021 HydrophobicContact CZ3-CD1 3.83Å; W883-I1021 HydrophobicContact CZ3-CG1 4.06Å; M886-I1021 HydrophobicContact CE-CD1 4.15Å; L887-I1021 HydrophobicContact CD1-CD1 4.18Å; L887-I1021 HydrophobicContact CD2-CD1 4.08Å; L887-I1021 HydrophobicContact CG-CD1 4.47Å; L1017-I1021 VanDerWaalsContact O-CG1 3.31Å; L1017-I1021 WeakPolarHBondContact O-CG1 3.32Å; L1017-I1021 PolarHBondContact O-N 3.48Å; M1018-I1021 PolarHBondContact O-N 2.92Å; S1019-I1021 PolarHBondContact O-N 2.89Å; I1021-I1024 PolarHBondContact O-N 2.9Å; I1021-L1025 HydrophobicContact CG2-CD1 3.81Å; I1021-L1025 HydrophobicContact CG2-CG 4.32Å; I1021-L1025 WeakPolarHBondContact O-CB 3.18Å; I1021-L1025 VanDerWaalsContact O-CG 3.28Å; I1021-L1025 WeakPolarHBondContact O-CG 3.32Å; I1021-L1025 PolarHBondContact O-N 2.9Å; I1021-L1052 HydrophobicContact CG2-CD1 3.96Å
1022V86.8Confident78.5Confident1 Ų121 Ų211%0.00611%0.108CC..Hα-helixtrans-61.5-47.4179.2177.10000111.2M1018 S1019 A1020 I1024 L1025 E1026 L1102 R1105 I1106M1018-V1022 WeakPolarHBondContact O-CG2 3.23Å; M1018-V1022 PolarHBondContact O-N 2.74Å; M1018-V1022 VanDerWaalsContact O-N 3.09Å; S1019-V1022 PolarHBondContact O-N 2.83Å; A1020-V1022 VanDerWaalsContact C-N 3.33Å; A1020-V1022 PolarHBondContact O-N 3.23Å; V1022-I1024 VanDerWaalsContact C-N 3.32Å; V1022-I1024 PolarHBondContact O-N 2.98Å; V1022-L1025 PolarHBondContact O-N 3.24Å; V1022-E1026 WeakPolarHBondContact O-CB 3.18Å; V1022-E1026 WeakPolarHBondContact O-CG 3.45Å; V1022-E1026 PolarHBondContact O-N 3.43Å; V1022-L1102 HydrophobicContact CB-CD2 4.3Å; V1022-L1102 HydrophobicContact CG2-CD2 4.05Å; V1022-R1105 HydrophobicContact CG1-CB 3.97Å; V1022-I1106 HydrophobicContact CG1-CG1 4.39Å; V1022-I1106 HydrophobicContact CG2-CD1 3.74Å; V1022-I1106 HydrophobicContact CG2-CG1 3.6Å
1023N85.2Confident79Confident24 Ų2425.3 Ų25.313%0.12812%0.122CC..Hα-helixtrans-61-39.7178.5-74.5-36000113S487 T842 S1019 A1020 S1027 R1105S487-N1023 PolarHBondContact OG-ND2 2.86Å; T842-N1023 HydrophobicContact CG2-CB 4.24Å; S1019-N1023 WeakPolarHBondContact O-CB 3.35Å; S1019-N1023 VanDerWaalsContact O-CG 3.32Å; S1019-N1023 PolarHBondContact O-N 3.39Å; S1019-N1023 PolarHBondContact O-ND2 2.74Å; S1019-N1023 VanDerWaalsContact O-ND2 3.15Å; S1019-N1023 PolarHBondContact OG-ND2 3.32Å; A1020-N1023 PolarHBondContact O-N 3.12Å; N1023-S1027 VanDerWaalsContact O-CB 3.31Å; N1023-S1027 WeakPolarHBondContact O-CB 3.23Å; N1023-S1027 PolarHBondContact O-N 2.92Å; N1023-S1027 PolarHBondContact O-OG 3.27Å; N1023-R1105 PolarHBondContact OD1-NH2 3.13Å
1024I84.5Confident78.2Confident5 Ų524.5 Ų24.53%0.02612%0.12CC..Hα-helixtrans-68.4-46.1178.6-69.6157.9000109.9I841 T842 L845 F878 A1020 I1021 V1022 S1027 I1028I841-I1024 HydrophobicContact CB-CD1 4.06Å; I841-I1024 HydrophobicContact CG2-CD1 3.17Å; I841-I1024 HydrophobicContact CG2-CG1 4.2Å; T842-I1024 HydrophobicContact CG2-CD1 4.32Å; T842-I1024 HydrophobicContact CG2-CG1 4.12Å; L845-I1024 HydrophobicContact CD1-CB 4.32Å; L845-I1024 HydrophobicContact CD1-CG1 3.98Å; L845-I1024 HydrophobicContact CD1-CG2 3.98Å; F878-I1024 HydrophobicContact CZ-CD1 4.05Å; A1020-I1024 HydrophobicContact CB-CD1 4.37Å; A1020-I1024 WeakPolarHBondContact O-CB 3.17Å; A1020-I1024 WeakPolarHBondContact O-CD1 3.44Å; A1020-I1024 WeakPolarHBondContact O-CG1 3.2Å; A1020-I1024 PolarHBondContact O-N 3.44Å; I1021-I1024 PolarHBondContact O-N 2.9Å; V1022-I1024 VanDerWaalsContact C-N 3.32Å; V1022-I1024 PolarHBondContact O-N 2.98Å; I1024-S1027 PolarHBondContact O-N 3.37Å; I1024-I1028 HydrophobicContact CG2-CD1 3.43Å; I1024-I1028 VanDerWaalsContact CG2-CD1 3.43Å; I1024-I1028 HydrophobicContact CG2-CG1 4.21Å; I1024-I1028 VanDerWaalsContact O-CB 3.32Å; I1024-I1028 WeakPolarHBondContact O-CB 3.37Å; I1024-I1028 WeakPolarHBondContact O-CG1 3.4Å; I1024-I1028 PolarHBondContact O-N 2.6Å
1025L84Confident77.2Confident5 Ų525 Ų253%0.02612%0.122CC..Hα-helixtrans-61.5-45.4177.3-73.8175.5000111I1021 V1022 I1028 I1029 I1045 L1049 L1052 L1109I1021-L1025 HydrophobicContact CG2-CD1 3.81Å; I1021-L1025 HydrophobicContact CG2-CG 4.32Å; I1021-L1025 WeakPolarHBondContact O-CB 3.18Å; I1021-L1025 VanDerWaalsContact O-CG 3.28Å; I1021-L1025 WeakPolarHBondContact O-CG 3.32Å; I1021-L1025 PolarHBondContact O-N 2.9Å; V1022-L1025 PolarHBondContact O-N 3.24Å; L1025-I1028 PolarHBondContact O-N 2.83Å; L1025-I1029 HydrophobicContact CB-CD1 4.07Å; L1025-I1029 HydrophobicContact CD2-CD1 4.01Å; L1025-I1029 WeakPolarHBondContact O-CB 3.37Å; L1025-I1029 WeakPolarHBondContact O-CD1 3.31Å; L1025-I1029 VanDerWaalsContact O-CG1 3.32Å; L1025-I1029 WeakPolarHBondContact O-CG1 3.49Å; L1025-I1029 PolarHBondContact O-N 3.19Å; L1025-I1045 HydrophobicContact CD2-CG2 4.45Å; L1025-L1049 HydrophobicContact CD1-CD2 4.04Å; L1025-L1049 HydrophobicContact CD2-CD2 4.26Å; L1025-L1052 HydrophobicContact CD1-CD1 3.38Å; L1025-L1109 HydrophobicContact CB-CD2 3.83Å
1026E83.6Confident75.9Confident42 Ų4230 Ų3020%0.19615%0.147CC..Hα-helixtrans-59.4-47.9173.6-76.9179.3-174.600112V1022 I1028 I1030 R1105 L1109V1022-E1026 WeakPolarHBondContact O-CB 3.18Å; V1022-E1026 WeakPolarHBondContact O-CG 3.45Å; V1022-E1026 PolarHBondContact O-N 3.43Å; E1026-I1028 PolarHBondContact O-N 3.29Å; E1026-I1030 HydrophobicContact CB-CD1 4.05Å; E1026-I1030 HydrophobicContact CG-CD1 4.05Å; E1026-I1030 WeakPolarHBondContact O-CA 3.37Å; E1026-I1030 WeakPolarHBondContact O-CB 3.34Å; E1026-I1030 WeakPolarHBondContact O-CG1 3.36Å; E1026-I1030 PolarHBondContact O-N 3.37Å; E1026-R1105 VanDerWaalsContact CD-NH2 3.27Å; E1026-R1105 WeakPolarHBondContact OE1-CB 3.45Å; E1026-R1105 IonicContact OE1-CZ 3.37Å; E1026-R1105 IonicContact OE1-NE 3.63Å; E1026-R1105 PolarHBondContact OE1-NE 3.48Å; E1026-R1105 IonicContact OE1-NH2 3.19Å; E1026-R1105 PolarHBondContact OE1-NH2 3.4Å; E1026-R1105 IonicContact OE2-CZ 2.85Å; E1026-R1105 IonicContact OE2-NE 2.71Å; E1026-R1105 IonicContact OE2-NH2 2.81Å; E1026-R1105 PolarHBondContact OE2-NH2 3.1Å; E1026-L1109 HydrophobicContact CB-CD1 4.41Å; E1026-L1109 HydrophobicContact CG-CD1 3.91Å
1027S78.7Confident74.6Confident28 Ų2831 Ų3120%0.19615%0.151CC..Iπ-helixtrans-61.1-44.9178.7-58.40000111.4N1023 I1024 Q1031 F1032N1023-S1027 VanDerWaalsContact O-CB 3.31Å; N1023-S1027 WeakPolarHBondContact O-CB 3.23Å; N1023-S1027 PolarHBondContact O-N 2.92Å; N1023-S1027 PolarHBondContact O-OG 3.27Å; I1024-S1027 PolarHBondContact O-N 3.37Å; S1027-Q1031 WeakPolarHBondContact O-CA 3.32Å; S1027-Q1031 WeakPolarHBondContact O-CB 3.4Å; S1027-Q1031 PolarHBondContact O-N 2.86Å; S1027-Q1031 VanDerWaalsContact O-N 3.12Å; S1027-F1032 WeakPolarHBondContact O-CD2 3.28Å; S1027-F1032 PolarHBondContact O-N 3.07Å
1028I75.4Confident73Confident5 Ų535.9 Ų35.93%0.02618%0.181CC..Iπ-helixtrans-72.4-44.3-176.7-66.1173.7000112.7L845 W870 I1024 L1025 E1026 F1032 K1033 L1034L845-I1028 HydrophobicContact CD1-CD1 4.48Å; L845-I1028 HydrophobicContact CD1-CG1 4.43Å; W870-I1028 HydrophobicContact CD2-CD1 4.48Å; W870-I1028 HydrophobicContact CE3-CD1 3.58Å; W870-I1028 HydrophobicContact CH2-CD1 3.8Å; W870-I1028 HydrophobicContact CZ3-CD1 3.18Å; I1024-I1028 HydrophobicContact CG2-CD1 3.43Å; I1024-I1028 VanDerWaalsContact CG2-CD1 3.43Å; I1024-I1028 HydrophobicContact CG2-CG1 4.21Å; I1024-I1028 VanDerWaalsContact O-CB 3.32Å; I1024-I1028 WeakPolarHBondContact O-CB 3.37Å; I1024-I1028 WeakPolarHBondContact O-CG1 3.4Å; I1024-I1028 PolarHBondContact O-N 2.6Å; L1025-I1028 PolarHBondContact O-N 2.83Å; E1026-I1028 PolarHBondContact O-N 3.29Å; I1028-F1032 VanDerWaalsContact CA-CD2 3.47Å; I1028-F1032 HydrophobicContact CB-CD2 4.2Å; I1028-F1032 HydrophobicContact CG1-CD2 3.92Å; I1028-F1032 HydrophobicContact CG1-CE2 4.13Å; I1028-F1032 CarbonylContact O-C 3.54Å; I1028-F1032 WeakPolarHBondContact O-CB 3.33Å; I1028-F1032 PolarHBondContact O-N 3.39Å; I1028-K1033 PolarHBondContact O-N 3.5Å; I1028-L1034 HydrophobicContact CG2-CB 3.62Å; I1028-L1034 HydrophobicContact CG2-CD2 3.87Å; I1028-L1034 HydrophobicContact CG2-CG 4.2Å; I1028-L1034 PolarHBondContact O-N 3.25Å
1029I72.7Confident71.1Confident10 Ų1041.9 Ų41.95%0.05121%0.213CC..Iπ-helixtrans-80.5-47.4-174-68157.1000110.5L1025 K1033 H1035 L1109 I1113L1025-I1029 HydrophobicContact CB-CD1 4.07Å; L1025-I1029 HydrophobicContact CD2-CD1 4.01Å; L1025-I1029 WeakPolarHBondContact O-CB 3.37Å; L1025-I1029 WeakPolarHBondContact O-CD1 3.31Å; L1025-I1029 VanDerWaalsContact O-CG1 3.32Å; L1025-I1029 WeakPolarHBondContact O-CG1 3.49Å; L1025-I1029 PolarHBondContact O-N 3.19Å; I1029-K1033 WeakPolarHBondContact O-CA 3.33Å; I1029-K1033 PolarHBondContact O-N 2.89Å; I1029-H1035 PolarHBondContact O-ND1 2.69Å; I1029-L1109 HydrophobicContact CB-CD1 4.06Å; I1029-L1109 HydrophobicContact CD1-CD1 4.13Å; I1029-L1109 HydrophobicContact CD1-CD2 3.84Å; I1029-L1109 HydrophobicContact CD1-CG 4.22Å; I1029-L1109 HydrophobicContact CG2-CD1 4.12Å; I1029-I1113 HydrophobicContact CD1-CD1 3.76Å; I1029-I1113 HydrophobicContact CG1-CD1 4.36Å; I1029-I1113 HydrophobicContact CG2-CD1 3.74Å; I1029-I1113 HydrophobicContact CG2-CG1 3.53Å
1030I67.3Low69.5Low79 Ų7953.2 Ų53.241%0.40526%0.255SS..Iπ-helixtrans-79.2-53.4-174.9-54.2174.3000109.8E1026 L1109E1026-I1030 HydrophobicContact CB-CD1 4.05Å; E1026-I1030 HydrophobicContact CG-CD1 4.05Å; E1026-I1030 WeakPolarHBondContact O-CA 3.37Å; E1026-I1030 WeakPolarHBondContact O-CB 3.34Å; E1026-I1030 WeakPolarHBondContact O-CG1 3.36Å; E1026-I1030 PolarHBondContact O-N 3.37Å; I1030-L1109 HydrophobicContact CD1-CD1 4.04Å; I1030-L1109 HydrophobicContact CG1-CD1 3.95Å
1031Q64.2Low68Low120 Ų12056.2 Ų56.256%0.56127%0.269SS*.Iπ-helixtrans-81.4-40.9-172.9-54.1-179.2-18.900112.4S1027S1027-Q1031 WeakPolarHBondContact O-CA 3.32Å; S1027-Q1031 WeakPolarHBondContact O-CB 3.4Å; S1027-Q1031 PolarHBondContact O-N 2.86Å; S1027-Q1031 VanDerWaalsContact O-N 3.12Å
1032F62.4Low66.4Low22 Ų2256.8 Ų56.810%0.09627%0.272CS..SBendtrans-93.2-4.9-175-47.3-37.7000114.2L845 Q849 F862 L866 S1027 I1028 L1034L845-F1032 HydrophobicContact CD2-CE2 4.44Å; Q849-F1032 HydrophobicContact CG-CE1 4.14Å; Q849-F1032 HydrophobicContact CG-CZ 4.01Å; Q849-F1032 VanDerWaalsContact NE2-CZ 3.26Å; F862-F1032 HydrophobicContact CE1-CD1 4.02Å; F862-F1032 HydrophobicContact CE1-CE1 4.03Å; F862-F1032 AromaticContact CZ-CD1 3.93Å; F862-F1032 HydrophobicContact CZ-CD1 3.93Å; F862-F1032 AromaticContact CZ-CE1 3.47Å; F862-F1032 HydrophobicContact CZ-CE1 3.47Å; F862-F1032 VanDerWaalsContact CZ-CE1 3.47Å; F862-F1032 HydrophobicContact CZ-CZ 4.2Å; L866-F1032 HydrophobicContact CD1-CD2 4.09Å; L866-F1032 HydrophobicContact CD1-CE2 3.68Å; L866-F1032 HydrophobicContact CD1-CZ 4.04Å; L866-F1032 HydrophobicContact CD2-CB 3.88Å; L866-F1032 HydrophobicContact CD2-CD1 3.69Å; L866-F1032 HydrophobicContact CD2-CD2 3.31Å; L866-F1032 HydrophobicContact CD2-CE1 4.03Å; L866-F1032 HydrophobicContact CD2-CE2 3.69Å; L866-F1032 HydrophobicContact CD2-CG 3.34Å; L866-F1032 HydrophobicContact CD2-CZ 4.01Å; L866-F1032 HydrophobicContact CG-CD2 4.25Å; L866-F1032 HydrophobicContact CG-CE2 4.31Å; S1027-F1032 WeakPolarHBondContact O-CD2 3.28Å; S1027-F1032 PolarHBondContact O-N 3.07Å; I1028-F1032 VanDerWaalsContact CA-CD2 3.47Å; I1028-F1032 HydrophobicContact CB-CD2 4.2Å; I1028-F1032 HydrophobicContact CG1-CD2 3.92Å; I1028-F1032 HydrophobicContact CG1-CE2 4.13Å; I1028-F1032 CarbonylContact O-C 3.54Å; I1028-F1032 WeakPolarHBondContact O-CB 3.33Å; I1028-F1032 PolarHBondContact O-N 3.39Å; F1032-L1034 PolarHBondContact O-N 3.03Å
1033K65.8Low65.1Low138 Ų13859.1 Ų59.160%0.629%0.289SS*.  trans48.232.2-178.2-60.9-176.3178.3-178.90113I1028 I1029 H1035 M1036I1028-K1033 PolarHBondContact O-N 3.5Å; I1029-K1033 WeakPolarHBondContact O-CA 3.33Å; I1029-K1033 PolarHBondContact O-N 2.89Å; K1033-H1035 PolarHBondContact O-N 2.88Å; K1033-M1036 WeakPolarHBondContact O-CB 3.46Å; K1033-M1036 PolarHBondContact O-N 3.35Å
1034L58.8Low64.1Low10 Ų1058.1 Ų58.15%0.05228%0.283CS..G310 helixtrans-63.6-19.4-171.6-145.295.1000113I1028 F1032 M1036 I1037 I1045I1028-L1034 HydrophobicContact CG2-CB 3.62Å; I1028-L1034 HydrophobicContact CG2-CD2 3.87Å; I1028-L1034 HydrophobicContact CG2-CG 4.2Å; I1028-L1034 PolarHBondContact O-N 3.25Å; F1032-L1034 PolarHBondContact O-N 3.03Å; L1034-M1036 PolarHBondContact O-N 3.19Å; L1034-M1036 VanDerWaalsContact O-N 3.1Å; L1034-I1037 HydrophobicContact CD1-CD1 3.63Å; L1034-I1037 HydrophobicContact CG-CD1 3.68Å; L1034-I1037 HydrophobicContact CG-CG1 4.3Å; L1034-I1037 WeakPolarHBondContact O-CB 3.33Å; L1034-I1037 PolarHBondContact O-N 3.27Å; L1034-I1045 HydrophobicContact CD2-CD1 3.8Å
1035H58.6Low63.4Low13 Ų1358.1 Ų58.16%0.0628%0.283CS..G310 helixtrans-59.1-16.9172.361.4-94.1000113.5I1029 K1033 I1037 L1116 S1119 L1121I1029-H1035 PolarHBondContact O-ND1 2.69Å; K1033-H1035 PolarHBondContact O-N 2.88Å; H1035-I1037 VanDerWaalsContact C-N 3.34Å; H1035-L1116 VanDerWaalsContact NE2-CD1 3.26Å; H1035-L1116 WeakPolarHBondContact NE2-CD1 3.44Å; H1035-S1119 WeakPolarHBondContact O-CB 3.47Å; H1035-L1121 HydrophobicContact CB-CB 4.33Å; H1035-L1121 HydrophobicContact CB-CD2 4.09Å
1036M54.2Low62.8Low110 Ų11059.3 Ų59.354%0.54229%0.292SS..G310 helixtrans-80.6-8.8174-64.7-62.5-177.400113.8K1033 L1034K1033-M1036 WeakPolarHBondContact O-CB 3.46Å; K1033-M1036 PolarHBondContact O-N 3.35Å; L1034-M1036 PolarHBondContact O-N 3.19Å; L1034-M1036 VanDerWaalsContact O-N 3.1Å
1037I54.3Low62.3Low34 Ų3460.6 Ų60.617%0.17430%0.3CS..SBendtrans-84.9148.6-176.4-54.4-173.9000111.4L1034 H1035 E1041 L1042L1034-I1037 HydrophobicContact CD1-CD1 3.63Å; L1034-I1037 HydrophobicContact CG-CD1 3.68Å; L1034-I1037 HydrophobicContact CG-CG1 4.3Å; L1034-I1037 WeakPolarHBondContact O-CB 3.33Å; L1034-I1037 PolarHBondContact O-N 3.27Å; H1035-I1037 VanDerWaalsContact C-N 3.34Å; I1037-E1041 HydrophobicContact CG2-CB 4.31Å; I1037-E1041 HydrophobicContact CG2-CG 4.48Å; I1037-E1041 WeakPolarHBondContact CG2-OE2 3.3Å; I1037-L1042 VanDerWaalsContact O-CD1 3.28Å; I1037-L1042 WeakPolarHBondContact O-CD1 3.22Å
1038T52.4Low62.2Low102 Ų10259.4 Ų59.463%0.62629%0.292SS*.  trans-62.1146.9-177.151.20000114.4R1040 E1041T1038-R1040 PolarHBondContact O-N 3.36Å; T1038-E1041 PolarHBondContact O-N 2.98Å
1039L46Very low62.5Low127 Ų12759.2 Ų59.267%0.66529%0.291SS*.G310 helixtrans-34.8-34.6-177-88.3155.5000118E1041 L1042 N1120L1039-E1041 VanDerWaalsContact C-N 3.25Å; L1039-E1041 PolarHBondContact O-N 2.92Å; L1039-L1042 PolarHBondContact O-N 3.49Å; L1039-N1120 HydrophobicContact CD2-CB 4.49Å; L1039-N1120 HydrophobicContact CG-CB 4.49Å
1040R52Low63Low238 Ų23862.1 Ų62.190%0.89831%0.306SS*.G310 helixtrans-65.9-25.9-173.7-117-179-175.5179.81.3113.7T1038T1038-R1040 PolarHBondContact O-N 3.36Å
1041E53.8Low63.7Low64 Ų6458.5 Ų58.530%0.29929%0.288SS..G310 helixtrans-97.5-11.7-177.8-61.6-172.4177.400113.4I1037 T1038 L1039 P1044I1037-E1041 HydrophobicContact CG2-CB 4.31Å; I1037-E1041 HydrophobicContact CG2-CG 4.48Å; I1037-E1041 WeakPolarHBondContact CG2-OE2 3.3Å; T1038-E1041 PolarHBondContact O-N 2.98Å; L1039-E1041 VanDerWaalsContact C-N 3.25Å; L1039-E1041 PolarHBondContact O-N 2.92Å; E1041-P1044 WeakPolarHBondContact O-CD 3.37Å
1042L53Low64.9Low16 Ų1652.9 Ų52.98%0.08426%0.261CS..THydrogen-bonded Turntrans-82.2-14.5-175.8-90.2149.4000114.5I1037 L1039 P1044 I1045 S1046 N1120 L1121I1037-L1042 VanDerWaalsContact O-CD1 3.28Å; I1037-L1042 WeakPolarHBondContact O-CD1 3.22Å; L1039-L1042 PolarHBondContact O-N 3.49Å; L1042-P1044 VanDerWaalsContact C-CD 3.41Å; L1042-I1045 HydrophobicContact CD2-CB 4.46Å; L1042-I1045 HydrophobicContact CD2-CD1 4.24Å; L1042-I1045 WeakPolarHBondContact O-CB 3.4Å; L1042-I1045 PolarHBondContact O-N 3.49Å; L1042-S1046 PolarHBondContact O-N 3.4Å; L1042-N1120 HydrophobicContact CD1-CB 4.27Å; L1042-L1121 HydrophobicContact CD2-CD1 4.12Å
1043S61.3Low66.1Low50 Ų5051.8 Ų51.835%0.3526%0.257SS..Hα-helixtrans-51-42.8-173.696.80000115.2I1045 S1046S1043-I1045 VanDerWaalsContact C-N 3.31Å; S1043-I1045 PolarHBondContact O-N 3.01Å; S1043-S1046 PolarHBondContact O-OG 3.14Å
1044P63.3Low67.1Low3 Ų347.8 Ų47.82%0.01924%0.242CC..Hα-helixtrans-71.2-27178.628.2-34.8000112.9W870 T875 K879 E1041 L1042 L1048W870-P1044 HydrophobicContact CZ2-CB 4.5Å; W870-P1044 HydrophobicContact CZ2-CG 4.01Å; T875-P1044 HydrophobicContact CG2-CB 4.09Å; T875-P1044 HydrophobicContact CG2-CG 3.88Å; K879-P1044 HydrophobicContact CG-CB 4.27Å; E1041-P1044 WeakPolarHBondContact O-CD 3.37Å; L1042-P1044 VanDerWaalsContact C-CD 3.41Å; P1044-L1048 WeakPolarHBondContact O-CG 3.42Å; P1044-L1048 PolarHBondContact O-N 3.47Å
1045I70.7Confident68.5Low4 Ų447.5 Ų47.52%0.02124%0.24CC..Hα-helixtrans-72.4-41.7-179.2-59.1177.4000109.8W870 L1025 L1034 L1042 S1043 D1047 L1048 L1049 L1121W870-I1045 HydrophobicContact CH2-CG1 4.24Å; W870-I1045 HydrophobicContact CZ2-CD1 4.1Å; W870-I1045 HydrophobicContact CZ2-CG1 3.6Å; L1025-I1045 HydrophobicContact CD2-CG2 4.45Å; L1034-I1045 HydrophobicContact CD2-CD1 3.8Å; L1042-I1045 HydrophobicContact CD2-CB 4.46Å; L1042-I1045 HydrophobicContact CD2-CD1 4.24Å; L1042-I1045 WeakPolarHBondContact O-CB 3.4Å; L1042-I1045 PolarHBondContact O-N 3.49Å; S1043-I1045 VanDerWaalsContact C-N 3.31Å; S1043-I1045 PolarHBondContact O-N 3.01Å; I1045-D1047 VanDerWaalsContact C-N 3.25Å; I1045-D1047 PolarHBondContact O-N 3.06Å; I1045-L1048 PolarHBondContact O-N 3.37Å; I1045-L1049 HydrophobicContact CG2-CD1 3.84Å; I1045-L1049 HydrophobicContact CG2-CG 4.12Å; I1045-L1049 VanDerWaalsContact O-CG 3.23Å; I1045-L1049 WeakPolarHBondContact O-CG 3.49Å; I1045-L1049 PolarHBondContact O-N 3.48Å; I1045-L1121 HydrophobicContact CG2-CD1 4.43Å
1046S71.2Confident69.9Low30 Ų3047 Ų4721%0.2124%0.238CC..Hα-helixtrans-59.9-38.2176.749.60000112.4L1042 S1043 L1049 L1050 Y1124L1042-S1046 PolarHBondContact O-N 3.4Å; S1043-S1046 PolarHBondContact O-OG 3.14Å; S1046-L1049 PolarHBondContact O-N 2.84Å; S1046-L1050 PolarHBondContact O-N 2.71Å; S1046-L1050 VanDerWaalsContact O-N 3.13Å; S1046-Y1124 PolarHBondContact O-OH 3.08Å
1047D73.2Confident71.3Confident69 Ų6944.1 Ų44.137%0.36922%0.222SC..Hα-helixtrans-66.3-39.6177.7-65-21.6000111.4N884 I1045 P1051N884-D1047 PolarHBondContact OD1-O 3.37Å; I1045-D1047 VanDerWaalsContact C-N 3.25Å; I1045-D1047 PolarHBondContact O-N 3.06Å; D1047-P1051 WeakPolarHBondContact O-CD 3.26Å
1048L75.2Confident72.6Confident4 Ų445.5 Ų45.52%0.02123%0.225CC..Hα-helixtrans-69.9-32.7175.1-70.8170.1000113.8F878 W883 P1044 I1045F878-L1048 HydrophobicContact CB-CD1 3.85Å; F878-L1048 HydrophobicContact CB-CD2 4.09Å; F878-L1048 HydrophobicContact CB-CG 4.1Å; F878-L1048 HydrophobicContact CD1-CD1 3.7Å; F878-L1048 HydrophobicContact CD1-CD2 3.44Å; F878-L1048 VanDerWaalsContact CD1-CD2 3.44Å; F878-L1048 HydrophobicContact CD1-CG 4.1Å; F878-L1048 HydrophobicContact CD2-CD1 4Å; F878-L1048 HydrophobicContact CE1-CD1 4.16Å; F878-L1048 HydrophobicContact CE1-CD2 4.08Å; F878-L1048 HydrophobicContact CE2-CD1 4.44Å; F878-L1048 HydrophobicContact CG-CD1 3.6Å; F878-L1048 HydrophobicContact CG-CD2 4.02Å; F878-L1048 HydrophobicContact CG-CG 4.21Å; F878-L1048 HydrophobicContact CZ-CD1 4.49Å; W883-L1048 HydrophobicContact CB-CD2 4.32Å; W883-L1048 HydrophobicContact CG-CD2 4.28Å; P1044-L1048 WeakPolarHBondContact O-CG 3.42Å; P1044-L1048 PolarHBondContact O-N 3.47Å; I1045-L1048 PolarHBondContact O-N 3.37Å
1049L82.7Confident74Confident0 Ų041.3 Ų41.30%020%0.199CC..Hα-helixtrans-74.2-29.9179.9-70.3175000111.8L1025 I1045 S1046 L1052 I1053 F1110 L1121 Y1124 L1125L1025-L1049 HydrophobicContact CD1-CD2 4.04Å; L1025-L1049 HydrophobicContact CD2-CD2 4.26Å; I1045-L1049 HydrophobicContact CG2-CD1 3.84Å; I1045-L1049 HydrophobicContact CG2-CG 4.12Å; I1045-L1049 VanDerWaalsContact O-CG 3.23Å; I1045-L1049 WeakPolarHBondContact O-CG 3.49Å; I1045-L1049 PolarHBondContact O-N 3.48Å; S1046-L1049 PolarHBondContact O-N 2.84Å; L1049-L1052 PolarHBondContact O-N 2.88Å; L1049-L1052 VanDerWaalsContact O-N 3.11Å; L1049-I1053 HydrophobicContact CB-CD1 4.23Å; L1049-I1053 WeakPolarHBondContact O-CB 3.43Å; L1049-I1053 VanDerWaalsContact O-CG1 3.22Å; L1049-I1053 WeakPolarHBondContact O-CG1 3.34Å; L1049-I1053 PolarHBondContact O-N 3.24Å; L1049-F1110 HydrophobicContact CD2-CE1 3.42Å; L1049-F1110 VanDerWaalsContact CD2-CE1 3.42Å; L1049-F1110 HydrophobicContact CD2-CZ 3.52Å; L1049-L1121 HydrophobicContact CD1-CD1 3.44Å; L1049-L1121 VanDerWaalsContact CD1-CD1 3.44Å; L1049-L1121 HydrophobicContact CD1-CD2 4.48Å; L1049-L1121 HydrophobicContact CD1-CG 4.29Å; L1049-Y1124 HydrophobicContact CB-CE1 4.39Å; L1049-L1125 HydrophobicContact CD1-CD2 4.47Å
1050L83.7Confident75.4Confident71 Ų7136.5 Ų36.537%0.37217%0.173SC..Hα-helixtrans-56.3-48.7-174.3-179.867.5000113.1S1046 L1052 I1053 D1054S1046-L1050 PolarHBondContact O-N 2.71Å; S1046-L1050 VanDerWaalsContact O-N 3.13Å; L1050-L1052 VanDerWaalsContact C-N 3.35Å; L1050-L1052 PolarHBondContact O-N 2.58Å; L1050-I1053 WeakPolarHBondContact O-CB 3.23Å; L1050-I1053 PolarHBondContact O-N 3.34Å; L1050-D1054 PolarHBondContact O-N 2.84Å
1051P82.1Confident76.3Confident4 Ų428.9 Ų28.93%0.02615%0.147CC..Hα-helixtrans-69.9-28.9176.9-18.631.7000113.7N884 L887 M891 D1047 D1054 W1055N884-P1051 HydrophobicContact CB-CG 4.39Å; N884-P1051 WeakPolarHBondContact OD1-CG 3.3Å; L887-P1051 HydrophobicContact CB-CB 3.46Å; L887-P1051 VanDerWaalsContact CB-CB 3.46Å; L887-P1051 HydrophobicContact CB-CG 4.1Å; L887-P1051 HydrophobicContact CD1-CB 3.66Å; L887-P1051 HydrophobicContact CD1-CG 3.7Å; L887-P1051 HydrophobicContact CG-CB 4.07Å; L887-P1051 HydrophobicContact CG-CG 4.49Å; M891-P1051 HydrophobicContact CE-CB 4.25Å; D1047-P1051 WeakPolarHBondContact O-CD 3.26Å; P1051-D1054 PolarHBondContact O-N 2.89Å; P1051-W1055 PolarHBondContact O-N 3.09Å
1052L87.8Confident76.5Confident1 Ų131.1 Ų31.11%0.00516%0.156CC..Hα-helixtrans-69.8-37.6174.3-62.3179.1000111.3L887 M1018 I1021 L1025 L1049 L1050 D1054 W1055 I1056 I1106 F1110L887-L1052 HydrophobicContact CD2-CD2 4.41Å; M1018-L1052 HydrophobicContact CE-CD2 3.94Å; I1021-L1052 HydrophobicContact CG2-CD1 3.96Å; L1025-L1052 HydrophobicContact CD1-CD1 3.38Å; L1049-L1052 PolarHBondContact O-N 2.88Å; L1049-L1052 VanDerWaalsContact O-N 3.11Å; L1050-L1052 VanDerWaalsContact C-N 3.35Å; L1050-L1052 PolarHBondContact O-N 2.58Å; L1052-D1054 VanDerWaalsContact C-N 3.32Å; L1052-W1055 HydrophobicContact CD2-CE3 4.32Å; L1052-W1055 WeakPolarHBondContact O-CB 3.49Å; L1052-W1055 PolarHBondContact O-N 3.45Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.37Å; L1052-I1056 PolarHBondContact O-N 3.42Å; L1052-I1106 HydrophobicContact CD2-CD1 4.02Å; L1052-F1110 HydrophobicContact CB-CZ 4.19Å
1053I88.8Confident76.5Confident0 Ų032.2 Ų32.20%017%0.165CC..Hα-helixtrans-60.3-45.6169.8-70.5168.3000109.4L1049 L1050 W1055 I1056 K1057 F1110 Y1124 L1125 L1129L1049-I1053 HydrophobicContact CB-CD1 4.23Å; L1049-I1053 WeakPolarHBondContact O-CB 3.43Å; L1049-I1053 VanDerWaalsContact O-CG1 3.22Å; L1049-I1053 WeakPolarHBondContact O-CG1 3.34Å; L1049-I1053 PolarHBondContact O-N 3.24Å; L1050-I1053 WeakPolarHBondContact O-CB 3.23Å; L1050-I1053 PolarHBondContact O-N 3.34Å; I1053-W1055 VanDerWaalsContact C-N 3.3Å; I1053-W1055 PolarHBondContact O-N 3.41Å; I1053-I1056 PolarHBondContact O-N 3.31Å; I1053-K1057 HydrophobicContact CG2-CD 4.11Å; I1053-K1057 WeakPolarHBondContact O-CB 3.22Å; I1053-K1057 VanDerWaalsContact O-CG 3.3Å; I1053-K1057 WeakPolarHBondContact O-CG 3.08Å; I1053-K1057 PolarHBondContact O-N 3.36Å; I1053-F1110 HydrophobicContact CG1-CE2 3.96Å; I1053-F1110 HydrophobicContact CG1-CZ 4.49Å; I1053-Y1124 HydrophobicContact CD1-CE1 3.83Å; I1053-L1125 HydrophobicContact CD1-CD2 3.76Å; I1053-L1125 HydrophobicContact CG1-CD2 4.11Å; I1053-L1129 HydrophobicContact CB-CD2 4.47Å; I1053-L1129 HydrophobicContact CG1-CD1 4.17Å; I1053-L1129 HydrophobicContact CG1-CG 4.33Å; I1053-L1129 HydrophobicContact CG2-CD2 3.79Å; I1053-L1129 HydrophobicContact CG2-CG 4.05Å
1054D85.2Confident75.9Confident54 Ų5431.1 Ų31.129%0.28915%0.154SC..Hα-helixtrans-63.7-35.4175.8-72.1-17.8000112.3M891 L1050 P1051 L1052 K1057 R1058M891-D1054 HydrophobicContact CE-CB 4.18Å; M891-D1054 HydrophobicContact SD-CB 4.43Å; L1050-D1054 PolarHBondContact O-N 2.84Å; P1051-D1054 PolarHBondContact O-N 2.89Å; L1052-D1054 VanDerWaalsContact C-N 3.32Å; D1054-K1057 PolarHBondContact O-N 2.65Å; D1054-R1058 VanDerWaalsContact O-CG 3.31Å; D1054-R1058 WeakPolarHBondContact O-CG 3.22Å; D1054-R1058 PolarHBondContact O-N 3.49Å
1055W88.1Confident75.3Confident3 Ų331.4 Ų31.41%0.01116%0.155CC..Hα-helixtrans-63.1-48.8174.9-164.223.2000111.1F890 M891 T898 M1018 P1051 L1052 I1053 K1057 R1058 V1059 L1102 I1103 I1106F890-W1055 AromaticContact CE1-CE2 3.99Å; F890-W1055 AromaticContact CE1-CH2 3.93Å; F890-W1055 HydrophobicContact CE1-CH2 3.93Å; F890-W1055 AromaticContact CE1-CZ2 3.62Å; F890-W1055 HydrophobicContact CE1-CZ2 3.62Å; F890-W1055 HydrophobicContact CZ-CH2 4.43Å; F890-W1055 HydrophobicContact CZ-CZ2 4.21Å; M891-W1055 HydrophobicContact CG-CB 4.08Å; M891-W1055 HydrophobicContact CG-CG 3.89Å; M891-W1055 WeakPolarHBondContact SD-CA 3.16Å; M891-W1055 HydrophobicContact SD-CB 3.41Å; M891-W1055 WeakPolarHBondContact SD-CB 3.32Å; M891-W1055 HydrophobicContact SD-CG 3.88Å; M891-W1055 PolarHBondContact SD-N 2.85Å; M891-W1055 VanDerWaalsContact SD-N 3.37Å; T898-W1055 VanDerWaalsContact CG2-CD1 3.49Å; T898-W1055 PolarHBondContact OG1-NE1 2.87Å; M1018-W1055 HydrophobicContact CE-CD2 4.45Å; M1018-W1055 HydrophobicContact CE-CE3 3.62Å; M1018-W1055 HydrophobicContact CE-CH2 4.03Å; M1018-W1055 HydrophobicContact CE-CZ3 3.37Å; P1051-W1055 PolarHBondContact O-N 3.09Å; L1052-W1055 HydrophobicContact CD2-CE3 4.32Å; L1052-W1055 WeakPolarHBondContact O-CB 3.49Å; L1052-W1055 PolarHBondContact O-N 3.45Å; I1053-W1055 VanDerWaalsContact C-N 3.3Å; I1053-W1055 PolarHBondContact O-N 3.41Å; W1055-K1057 VanDerWaalsContact C-N 3.33Å; W1055-K1057 PolarHBondContact O-N 3.21Å; W1055-R1058 WeakPolarHBondContact O-CB 3.18Å; W1055-R1058 PolarHBondContact O-N 2.73Å; W1055-R1058 VanDerWaalsContact O-N 3.1Å; W1055-V1059 WeakPolarHBondContact O-CG2 3.16Å; W1055-V1059 PolarHBondContact O-N 3.22Å; W1055-L1102 HydrophobicContact CH2-CB 4.15Å; W1055-L1102 HydrophobicContact CZ3-CB 4.4Å; W1055-I1103 HydrophobicContact CD2-CG1 4.21Å; W1055-I1103 HydrophobicContact CE3-CG1 4.2Å; W1055-I1103 HydrophobicContact CH2-CD1 4.18Å; W1055-I1103 HydrophobicContact CH2-CG1 3.57Å; W1055-I1103 HydrophobicContact CZ2-CD1 3.66Å; W1055-I1103 HydrophobicContact CZ2-CG1 3.56Å; W1055-I1103 HydrophobicContact CZ3-CG1 3.9Å; W1055-I1106 HydrophobicContact CE3-CD1 3.89Å; W1055-I1106 HydrophobicContact CZ3-CD1 3.69Å
1056I88.6Confident74Confident2 Ų234.7 Ų34.71%0.0117%0.172CC..Hα-helixtrans-60.2-43.2175.2-71.1165.5000111L1052 I1053 R1058 V1059 Y1060 I1106 L1107 F1110 L1129 I1144 A1148L1052-I1056 WeakPolarHBondContact O-CG1 3.37Å; L1052-I1056 PolarHBondContact O-N 3.42Å; I1053-I1056 PolarHBondContact O-N 3.31Å; I1056-R1058 VanDerWaalsContact C-N 3.29Å; I1056-R1058 PolarHBondContact O-N 3.49Å; I1056-V1059 PolarHBondContact O-N 3.15Å; I1056-Y1060 PolarHBondContact O-N 2.65Å; I1056-I1106 HydrophobicContact CD1-CG2 3.74Å; I1056-L1107 HydrophobicContact CD1-CD2 4.07Å; I1056-L1107 HydrophobicContact CG1-CD2 4.13Å; I1056-L1107 HydrophobicContact CG2-CD2 4.1Å; I1056-F1110 HydrophobicContact CD1-CD2 3.52Å; I1056-F1110 HydrophobicContact CD1-CE2 3.53Å; I1056-L1129 HydrophobicContact CG2-CD2 4.07Å; I1056-I1144 HydrophobicContact CG2-CG2 3.96Å; I1056-A1148 HydrophobicContact CG2-CB 3.94Å
1057K84.8Confident72.9Confident51 Ų5139.2 Ų39.222%0.22219%0.188CC..Hα-helixtrans-59.6-39.9175-75.8174.6178.4177.20111.5I1053 D1054 W1055 Y1060 Q1061 S1128 L1129 I1144I1053-K1057 HydrophobicContact CG2-CD 4.11Å; I1053-K1057 WeakPolarHBondContact O-CB 3.22Å; I1053-K1057 VanDerWaalsContact O-CG 3.3Å; I1053-K1057 WeakPolarHBondContact O-CG 3.08Å; I1053-K1057 PolarHBondContact O-N 3.36Å; D1054-K1057 PolarHBondContact O-N 2.65Å; W1055-K1057 VanDerWaalsContact C-N 3.33Å; W1055-K1057 PolarHBondContact O-N 3.21Å; K1057-Y1060 CarbonylContact O-C 3.46Å; K1057-Y1060 WeakPolarHBondContact O-CB 3.48Å; K1057-Y1060 PolarHBondContact O-N 3.12Å; K1057-Q1061 WeakPolarHBondContact O-CB 3.1Å; K1057-Q1061 VanDerWaalsContact O-CG 3.23Å; K1057-Q1061 WeakPolarHBondContact O-CG 3.48Å; K1057-Q1061 PolarHBondContact O-N 3.22Å; K1057-S1128 WeakPolarHBondContact CE-O 3.48Å; K1057-S1128 PolarHBondContact NZ-O 3.16Å; K1057-S1128 VanDerWaalsContact NZ-O 3.15Å; K1057-L1129 HydrophobicContact CG-CD2 4.32Å; K1057-I1144 HydrophobicContact CG-CD1 4.11Å; K1057-I1144 HydrophobicContact CG-CG2 4.49Å
1058R80.7Confident71.7Confident62 Ų6237.1 Ų37.123%0.23418%0.175CC..Hα-helixtrans-67.9-42.6176.6-73.9177.5-174.3-152.19.1112.8Q892 T898 D1054 W1055 I1056 Y1060 Q1061 K1062Q892-R1058 VanDerWaalsContact CG-NH1 3.27Å; T898-R1058 HydrophobicContact CG2-CB 3.97Å; D1054-R1058 VanDerWaalsContact O-CG 3.31Å; D1054-R1058 WeakPolarHBondContact O-CG 3.22Å; D1054-R1058 PolarHBondContact O-N 3.49Å; W1055-R1058 WeakPolarHBondContact O-CB 3.18Å; W1055-R1058 PolarHBondContact O-N 2.73Å; W1055-R1058 VanDerWaalsContact O-N 3.1Å; I1056-R1058 VanDerWaalsContact C-N 3.29Å; I1056-R1058 PolarHBondContact O-N 3.49Å; R1058-Y1060 PolarHBondContact O-N 3.2Å; R1058-Q1061 PolarHBondContact O-N 2.94Å; R1058-Q1061 VanDerWaalsContact O-N 3.07Å; R1058-K1062 PolarHBondContact O-N 2.91Å
1059V81.4Confident70.3Confident14 Ų1441.4 Ų41.49%0.08519%0.193CC..Hα-helixtrans-55.2-40.6172.21760000110.2T898 W1055 I1056 I1103 A1148 R1151T898-V1059 HydrophobicContact CG2-CB 4.44Å; T898-V1059 HydrophobicContact CG2-CG2 3.51Å; W1055-V1059 WeakPolarHBondContact O-CG2 3.16Å; W1055-V1059 PolarHBondContact O-N 3.22Å; I1056-V1059 PolarHBondContact O-N 3.15Å; V1059-I1103 HydrophobicContact CG2-CD1 3.85Å; V1059-A1148 HydrophobicContact CG1-CB 4.3Å; V1059-R1151 WeakPolarHBondContact O-CD 3.41Å; V1059-R1151 PolarHBondContact O-NH1 3.2Å
1060Y75.2Confident68.2Low26 Ų2642.1 Ų42.110%0.10220%0.199CC..Hα-helixtrans-72.5-35.1173.9162.8-103.2000114.5I1056 K1057 R1058 S1141 I1144 L1147 R1151 C1328I1056-Y1060 PolarHBondContact O-N 2.65Å; K1057-Y1060 CarbonylContact O-C 3.46Å; K1057-Y1060 WeakPolarHBondContact O-CB 3.48Å; K1057-Y1060 PolarHBondContact O-N 3.12Å; R1058-Y1060 PolarHBondContact O-N 3.2Å; Y1060-S1141 WeakPolarHBondContact OH-CB 3.11Å; Y1060-I1144 HydrophobicContact CD1-CG2 4.15Å; Y1060-I1144 HydrophobicContact CG-CG2 3.93Å; Y1060-L1147 HydrophobicContact CD2-CB 3.63Å; Y1060-L1147 HydrophobicContact CD2-CD1 3.88Å; Y1060-L1147 HydrophobicContact CD2-CG 4.4Å; Y1060-L1147 HydrophobicContact CE2-CB 4.03Å; Y1060-L1147 HydrophobicContact CE2-CD1 3.41Å; Y1060-L1147 VanDerWaalsContact CE2-CD1 3.41Å; Y1060-L1147 HydrophobicContact CE2-CG 4.34Å; Y1060-R1151 VanDerWaalsContact C-NH1 3.27Å; Y1060-R1151 PolarHBondContact O-NH1 3.14Å; Y1060-R1151 PolarHBondContact O-NH2 2.6Å; Y1060-C1328 PolarHBondContact OH-SG 3.18Å
1061Q71Confident65.7Low78 Ų7842 Ų4236%0.36420%0.198SC..Hα-helixtrans-81.1-46.7-175.1-76.9168.9-5.700111.9K1057 R1058K1057-Q1061 WeakPolarHBondContact O-CB 3.1Å; K1057-Q1061 VanDerWaalsContact O-CG 3.23Å; K1057-Q1061 WeakPolarHBondContact O-CG 3.48Å; K1057-Q1061 PolarHBondContact O-N 3.22Å; R1058-Q1061 PolarHBondContact O-N 2.94Å; R1058-Q1061 VanDerWaalsContact O-N 3.07Å
1062K57.6Low63.3Low111 Ų11143.6 Ų43.648%0.48321%0.208SC..  trans-138.1116.3-170.9-68.4-177.4178.5179.50111R1058 F1064R1058-K1062 PolarHBondContact O-N 2.91Å; K1062-F1064 HydrophobicContact CB-CD2 4.15Å; K1062-F1064 HydrophobicContact CB-CE2 3.83Å; K1062-F1064 HydrophobicContact CB-CZ 4.38Å; K1062-F1064 HydrophobicContact CD-CE2 4.4Å; K1062-F1064 HydrophobicContact CD-CZ 4.18Å; K1062-F1064 PolarHBondContact O-N 2.9Å
1063S53.1Low60.3Low39 Ų3950.2 Ų50.227%0.27324%0.24SC..  trans-80.294.9162.5169.80000108.2F1065 L1066S1063-F1065 PolarHBondContact O-N 3.4Å; S1063-L1066 PolarHBondContact OG-N 3.5Å
1064F50.5Low57.3Low27 Ų2754.1 Ų54.112%0.11826%0.257CS..THydrogen-bonded Turntrans-61.9-26.7169.5-73.2-86.9000111.2T898 S900 K1062 L1066 K1067 W1068T898-F1064 VanDerWaalsContact O-CD2 3.25Å; T898-F1064 WeakPolarHBondContact O-CD2 2.96Å; T898-F1064 WeakPolarHBondContact O-CE2 3.17Å; S900-F1064 WeakPolarHBondContact OG-CE1 3.26Å; K1062-F1064 HydrophobicContact CB-CD2 4.15Å; K1062-F1064 HydrophobicContact CB-CE2 3.83Å; K1062-F1064 HydrophobicContact CB-CZ 4.38Å; K1062-F1064 HydrophobicContact CD-CE2 4.4Å; K1062-F1064 HydrophobicContact CD-CZ 4.18Å; K1062-F1064 PolarHBondContact O-N 2.9Å; F1064-L1066 VanDerWaalsContact C-N 3.32Å; F1064-L1066 PolarHBondContact O-N 3.07Å; F1064-K1067 WeakPolarHBondContact O-CA 3.48Å; F1064-K1067 WeakPolarHBondContact O-CB 3.41Å; F1064-K1067 PolarHBondContact O-N 3.43Å; F1064-W1068 VanDerWaalsContact O-CD1 3.24Å; F1064-W1068 PolarHBondContact O-N 3.29Å
1065F49Very low54.5Low9 Ų956 Ų564%0.03927%0.265CS..Hα-helixtrans-59.3-38.3-179.8-154.2-83000114.5S1063 K1067 W1068 E1091 P1092 I1096 Y1155S1063-F1065 PolarHBondContact O-N 3.4Å; F1065-K1067 PolarHBondContact O-N 3.13Å; F1065-W1068 PolarHBondContact O-N 3.39Å; F1065-E1091 HydrophobicContact CE1-CB 4.48Å; F1065-E1091 VanDerWaalsContact CE1-CD 3.4Å; F1065-E1091 HydrophobicContact CE1-CG 3.73Å; F1065-E1091 WeakPolarHBondContact CE1-OE1 3.36Å; F1065-E1091 HydrophobicContact CZ-CB 3.66Å; F1065-E1091 VanDerWaalsContact CZ-CD 3.41Å; F1065-E1091 HydrophobicContact CZ-CG 3.39Å; F1065-P1092 HydrophobicContact CE2-CG 4.34Å; F1065-I1096 HydrophobicContact CD2-CD1 4.25Å; F1065-I1096 HydrophobicContact CE2-CD1 3.34Å; F1065-I1096 HydrophobicContact CE2-CG1 4.03Å; F1065-I1096 HydrophobicContact CZ-CD1 3.73Å; F1065-Y1155 HydrophobicContact CB-CE1 4.03Å; F1065-Y1155 WeakPolarHBondContact CB-OH 3.5Å; F1065-Y1155 AromaticContact CD1-CE1 3.66Å; F1065-Y1155 HydrophobicContact CD1-CE1 3.66Å; F1065-Y1155 HydrophobicContact CD2-CE1 4.22Å; F1065-Y1155 HydrophobicContact CE1-CE1 4.33Å; F1065-Y1155 AromaticContact CG-CE1 3.62Å; F1065-Y1155 HydrophobicContact CG-CE1 3.62Å
1066L43.9Very low51.6Low73 Ų7361.1 Ų61.138%0.38229%0.289SS..Hα-helixtrans-63.4-23.8175.2-85.4150.5000112.7S1063 F1064 G1337S1063-L1066 PolarHBondContact OG-N 3.5Å; F1064-L1066 VanDerWaalsContact C-N 3.32Å; F1064-L1066 PolarHBondContact O-N 3.07Å; L1066-G1337 VanDerWaalsContact CD1-CA 3.44Å
1067K48.7Very low48.5Very low126 Ų12664.9 Ų64.955%0.54831%0.305SS..Hα-helixtrans-83.4-28.5175.7-61.9-173.2173.5-170.80113.5F1064 F1065 K1069F1064-K1067 WeakPolarHBondContact O-CA 3.48Å; F1064-K1067 WeakPolarHBondContact O-CB 3.41Å; F1064-K1067 PolarHBondContact O-N 3.43Å; F1065-K1067 PolarHBondContact O-N 3.13Å; K1067-K1069 VanDerWaalsContact C-N 3.28Å; K1067-K1069 PolarHBondContact O-N 3.04Å
1068W48.3Very low45.6Very low25 Ų2570.4 Ų70.410%0.09533%0.329CS..Hα-helixtrans-74.9-15.5-179.5-60.7130.6000114G899 P901 L945 F962 F1064 F1065 S1070G899-W1068 WeakPolarHBondContact O-CZ2 3.15Å; P901-W1068 VanDerWaalsContact CD-CH2 3.41Å; P901-W1068 HydrophobicContact CG-CH2 4.4Å; L945-W1068 WeakPolarHBondContact CD2-O 3.43Å; F962-W1068 HydrophobicContact CD1-CZ3 4.16Å; F962-W1068 AromaticContact CE1-CE3 3.56Å; F962-W1068 HydrophobicContact CE1-CE3 3.56Å; F962-W1068 AromaticContact CE1-CH2 3.96Å; F962-W1068 HydrophobicContact CE1-CH2 3.96Å; F962-W1068 AromaticContact CE1-CZ3 3.05Å; F962-W1068 HydrophobicContact CE1-CZ3 3.05Å; F962-W1068 HydrophobicContact CE2-CH2 4.2Å; F962-W1068 HydrophobicContact CE2-CZ3 4.08Å; F962-W1068 AromaticContact CZ-CE3 3.75Å; F962-W1068 HydrophobicContact CZ-CE3 3.75Å; F962-W1068 AromaticContact CZ-CH2 3.41Å; F962-W1068 HydrophobicContact CZ-CH2 3.41Å; F962-W1068 VanDerWaalsContact CZ-CH2 3.41Å; F962-W1068 AromaticContact CZ-CZ3 2.99Å; F962-W1068 HydrophobicContact CZ-CZ3 2.99Å; F1064-W1068 VanDerWaalsContact O-CD1 3.24Å; F1064-W1068 PolarHBondContact O-N 3.29Å; F1065-W1068 PolarHBondContact O-N 3.39Å; W1068-S1070 PolarHBondContact O-N 2.89Å
1069K44.9Very low42.8Very low93 Ų9370.6 Ų70.640%0.40434%0.34SS..SBendtrans-54120.7161.9-88.6-170.9170.2-173.20106.9K1067 L1071K1067-K1069 VanDerWaalsContact C-N 3.28Å; K1067-K1069 PolarHBondContact O-N 3.04Å; K1069-L1071 PolarHBondContact O-N 3.05Å
1070S38.9Very low40Very low16 Ų1675.3 Ų75.311%0.11237%0.369CS..  trans-36.6128.6175.6-178.10000108.9Q944 W1068 T1072Q944-S1070 PolarHBondContact NE2-OG 2.85Å; W1068-S1070 PolarHBondContact O-N 2.89Å; S1070-T1072 PolarHBondContact O-N 3.05Å; S1070-T1072 PolarHBondContact O-OG1 3.01Å; S1070-T1072 VanDerWaalsContact O-OG1 3.1Å; S1070-T1072 WeakPolarHBondContact OG-CG2 3.36Å; S1070-T1072 PolarHBondContact OG-N 2.67Å
1071L31.4Very low37.4Very low68 Ų6878.5 Ų78.536%0.35639%0.387SS..G310 helixtrans-62.224.9170.7-103.3110.4000111.9K1069 M1073 F1074K1069-L1071 PolarHBondContact O-N 3.05Å; L1071-M1073 PolarHBondContact O-N 3.32Å; L1071-F1074 HydrophobicContact CD2-CD2 3.81Å; L1071-F1074 HydrophobicContact CD2-CE2 3.76Å; L1071-F1074 PolarHBondContact O-N 3.21Å
1072T31.9Very low35.1Very low37 Ų3780.9 Ų80.923%0.22741%0.407CS..G310 helixtrans-57.6-4.8167.244.90000113.7S1070 F1074 Q1075S1070-T1072 PolarHBondContact O-N 3.05Å; S1070-T1072 PolarHBondContact O-OG1 3.01Å; S1070-T1072 VanDerWaalsContact O-OG1 3.1Å; S1070-T1072 WeakPolarHBondContact OG-CG2 3.36Å; S1070-T1072 PolarHBondContact OG-N 2.67Å; T1072-F1074 PolarHBondContact O-N 3.29Å; T1072-F1074 VanDerWaalsContact O-N 3.08Å; T1072-Q1075 PolarHBondContact O-N 3.26Å
1073M25.3Very low33.5Very low141 Ų14178.6 Ų78.670%0.69541%0.405SS*.G310 helixtrans-54.5-21.6158.8-130.4-172.1-175.400112.1L1071L1071-M1073 PolarHBondContact O-N 3.32Å
1074F25.7Very low32.3Very low81 Ų8180.5 Ų80.536%0.35542%0.415SS..G310 helixtrans-84.8-20.1170.5-79.5-78000115.3L1071 T1072 Q1076 K1077 F1386L1071-F1074 HydrophobicContact CD2-CD2 3.81Å; L1071-F1074 HydrophobicContact CD2-CE2 3.76Å; L1071-F1074 PolarHBondContact O-N 3.21Å; T1072-F1074 PolarHBondContact O-N 3.29Å; T1072-F1074 VanDerWaalsContact O-N 3.08Å; F1074-Q1076 VanDerWaalsContact C-N 3.31Å; F1074-Q1076 PolarHBondContact O-N 3.36Å; F1074-K1077 WeakPolarHBondContact O-CB 3.3Å; F1074-K1077 WeakPolarHBondContact O-CG 3.46Å; F1074-K1077 PolarHBondContact O-N 2.99Å; F1074-F1386 HydrophobicContact CZ-CD1 4.07Å; F1074-F1386 AromaticContact CZ-CE1 3.88Å; F1074-F1386 HydrophobicContact CZ-CE1 3.88Å; F1074-F1386 HydrophobicContact CZ-CG 4.48Å; F1074-F1386 HydrophobicContact CZ-CZ 4.14Å
1075Q26.1Very low31.5Very low95 Ų9582.4 Ų82.444%0.44443%0.426SS..G310 helixtrans-78.8-11176.1-90.4-166.5-23.500114N392 T1072 K1077 F1078N392-Q1075 PolarHBondContact ND2-NE2 2.99Å; N392-Q1075 PolarHBondContact ND2-OE1 3.36Å; T1072-Q1075 PolarHBondContact O-N 3.26Å; Q1075-K1077 PolarHBondContact O-N 3.24Å; Q1075-F1078 PolarHBondContact O-N 2.97Å
1076Q25.7Very low30.8Very low110 Ų11087 Ų8751%0.51445%0.448SS..G310 helixtrans-62.4-5.7163.5-81.6-171.8-14.400113.5F1074 F1078F1074-Q1076 VanDerWaalsContact C-N 3.31Å; F1074-Q1076 PolarHBondContact O-N 3.36Å; Q1076-F1078 PolarHBondContact O-N 3.29Å
1077K23.8Very low30.8Very low81 Ų8185.6 Ų85.635%0.35244%0.442SS..G310 helixtrans-62.4-19.5163-78.3-175.2-175.7174.70113.4F1074 Q1075 D1389F1074-K1077 WeakPolarHBondContact O-CB 3.3Å; F1074-K1077 WeakPolarHBondContact O-CG 3.46Å; F1074-K1077 PolarHBondContact O-N 2.99Å; Q1075-K1077 PolarHBondContact O-N 3.24Å; K1077-D1389 VanDerWaalsContact CE-CG 3.47Å; K1077-D1389 IonicContact NZ-OD1 3.22Å; K1077-D1389 PolarHBondContact NZ-OD1 3.19Å; K1077-D1389 IonicContact NZ-OD2 3.99Å; K1077-D1389 PolarHBondContact NZ-OD2 2.95Å
1078F25.2Very low30.7Very low167 Ų16782.8 Ų82.873%0.73243%0.433SS*.SBendtrans-126.2108.6177.3-65.1-77.6000109.8Q1075 Q1076Q1075-F1078 PolarHBondContact O-N 2.97Å; Q1076-F1078 PolarHBondContact O-N 3.29Å
1079S21.5Very low30.8Very low66 Ų6683.2 Ų83.246%0.46244%0.438SS..  trans77.5137.6165.975.20000118.8I1081S1079-I1081 PolarHBondContact O-N 2.99Å
1080T21.5Very low31.5Very low113 Ų11380.8 Ų80.869%0.69343%0.429SS*.  trans-68.962.1-179.845.30000112.6T1082T1080-T1082 PolarHBondContact O-N 3.45Å
1081I22.3Very low33.1Very low92 Ų9280.4 Ų80.447%0.47243%0.425SS..  trans-78.491.2176-56.4172.5000108.4S1079S1079-I1081 PolarHBondContact O-N 2.99Å
1082T21.2Very low35.3Very low128 Ų12877.3 Ų77.379%0.78541%0.409SS*.  trans-10178.5172.450.80000109.5T1080T1080-T1082 PolarHBondContact O-N 3.45Å
1083S24.9Very low37.6Very low64 Ų6475.9 Ų75.945%0.44840%0.4SS..  trans-168.7107.916739.80000114.9D1085S1083-D1085 PolarHBondContact O-N 3.49Å
1084T28.2Very low40.1Very low79 Ų7969.5 Ų69.549%0.48537%0.369SS..SBendtrans50.5-48.2143.858.60000123.4K1400T1084-K1400 PolarHBondContact O-NZ 3.41Å
1085D33Very low42.7Very low66 Ų6665.8 Ų65.835%0.35335%0.353SS..  trans-127.510.3-154.6-64.5-57.7000117.4S1083S1083-D1085 PolarHBondContact O-N 3.49Å
1086E35Very low45.5Very low107 Ų10761.3 Ų61.350%0.533%0.332SS..  trans-86.5138.2179.9-64.6-173.1163.700112.9
1087V44Very low48.4Very low43 Ų4356 Ų5626%0.26131%0.307SS..SBendtrans84.822.5164.4-143.40000119.7
1088D45.6Very low51.1Low66 Ų6652.2 Ų52.235%0.35329%0.29SS..SBendtrans-97.9-8.5156.8-97.8-3.3000111.9D1090 E1091 R1273 K1277D1088-D1090 VanDerWaalsContact C-N 3.33Å; D1088-D1090 PolarHBondContact O-N 3.32Å; D1088-E1091 WeakPolarHBondContact O-CG 3.43Å; D1088-R1273 IonicContact OD1-CZ 3.16Å; D1088-R1273 IonicContact OD1-NH1 3.59Å; D1088-R1273 IonicContact OD1-NH2 3.8Å; D1088-R1273 PolarHBondContact OD1-NH2 3.26Å; D1088-R1273 IonicContact OD2-CZ 3.96Å; D1088-R1273 IonicContact OD2-NH1 3.83Å; D1088-R1273 PolarHBondContact OD2-NH1 3.4Å; D1088-R1273 IonicContact OD2-NH2 3.4Å; D1088-R1273 PolarHBondContact OD2-NH2 3.18Å; D1088-R1273 VanDerWaalsContact OD2-NH2 3.16Å; D1088-K1277 IonicContact OD1-NZ 3.73Å; D1088-K1277 PolarHBondContact OD1-NZ 3.47Å
1089N51Low54.1Low35 Ų3544.3 Ų44.319%0.18726%0.256CS..THydrogen-bonded Turntrans-77.8-13.4-174.9-60.7-37.3000114.5P498 S951P498-N1089 WeakPolarHBondContact CG-OD1 3.16Å; S951-N1089 WeakPolarHBondContact CB-ND2 3.44Å
1090D58.5Low57.3Low42 Ų4241.2 Ų41.223%0.22523%0.234CC..THydrogen-bonded Turntrans-91.3-2.6-176.9-62.1-31.8000112.7S947 N955 D1088S947-D1090 WeakPolarHBondContact CB-OD1 3.23Å; S947-D1090 PolarHBondContact OG-OD1 3.09Å; N955-D1090 PolarHBondContact ND2-O 3.4Å; D1088-D1090 VanDerWaalsContact C-N 3.33Å; D1088-D1090 PolarHBondContact O-N 3.32Å
1091E72.6Confident60.6Low7 Ų736.3 Ų36.33%0.03320%0.203CC..SBendtrans-68.9132.5-178.5-56.5-162.8157.200110.7F1065 D1088 H1093 I1096 R1157 R1273 K1277F1065-E1091 HydrophobicContact CE1-CB 4.48Å; F1065-E1091 VanDerWaalsContact CE1-CD 3.4Å; F1065-E1091 HydrophobicContact CE1-CG 3.73Å; F1065-E1091 WeakPolarHBondContact CE1-OE1 3.36Å; F1065-E1091 HydrophobicContact CZ-CB 3.66Å; F1065-E1091 VanDerWaalsContact CZ-CD 3.41Å; F1065-E1091 HydrophobicContact CZ-CG 3.39Å; D1088-E1091 WeakPolarHBondContact O-CG 3.43Å; E1091-H1093 PolarHBondContact O-CD2 3.49Å; E1091-H1093 PolarHBondContact O-N 3.36Å; E1091-H1093 PolarHBondContact O-NE2 2.99Å; E1091-I1096 HydrophobicContact CB-CD1 4.01Å; E1091-R1157 IonicContact OE2-CZ 3.21Å; E1091-R1157 IonicContact OE2-NH1 3.92Å; E1091-R1157 IonicContact OE2-NH2 2.72Å; E1091-R1157 PolarHBondContact OE2-NH2 3.42Å; E1091-R1273 IonicContact OE1-CZ 3.42Å; E1091-R1273 IonicContact OE1-NH2 3.64Å; E1091-R1273 PolarHBondContact OE1-NH2 2.93Å; E1091-R1273 IonicContact OE2-CZ 2.64Å; E1091-R1273 IonicContact OE2-NE 3.47Å; E1091-R1273 IonicContact OE2-NH2 3.67Å; E1091-R1273 PolarHBondContact OE2-NH2 2.94Å; E1091-K1277 IonicContact OE1-NZ 2.95Å; E1091-K1277 PolarHBondContact OE1-NZ 3.47Å
1092P77.5Confident63.8Low3 Ų332 Ų322%0.01918%0.181CC..  trans-7072.1173.428.3-37.3000112I896 L960 F1065 L1094 L1095 I1096I896-P1092 HydrophobicContact CD1-CB 3.56Å; I896-P1092 HydrophobicContact CD1-CG 3.64Å; I896-P1092 HydrophobicContact CG2-CB 4.47Å; I896-P1092 HydrophobicContact CG2-CG 3.48Å; I896-P1092 VanDerWaalsContact CG2-CG 3.48Å; L960-P1092 HydrophobicContact CD2-CB 4.3Å; F1065-P1092 HydrophobicContact CE2-CG 4.34Å; P1092-L1094 VanDerWaalsContact C-N 3.34Å; P1092-L1094 PolarHBondContact O-N 3.21Å; P1092-L1095 PolarHBondContact O-N 3.01Å; P1092-I1096 HydrophobicContact CG-CD1 4.04Å; P1092-I1096 HydrophobicContact CG-CG1 4.22Å; P1092-I1096 WeakPolarHBondContact O-CD1 3.44Å; P1092-I1096 VanDerWaalsContact O-CG1 3.27Å; P1092-I1096 WeakPolarHBondContact O-CG1 3.45Å; P1092-I1096 PolarHBondContact O-N 2.81Å; P1092-I1096 VanDerWaalsContact O-N 3.16Å
1093H80.7Confident67.1Low8 Ų826 Ų264%0.03714%0.144CC..Hα-helixtrans-55.3-42.5-164.3-62.2-64.8000114.1N955 E1091 S1097 R1157 V1270 C1271N955-H1093 PolarHBondContact O-N 3.36Å; N955-H1093 VanDerWaalsContact O-N 3.12Å; E1091-H1093 PolarHBondContact O-CD2 3.49Å; E1091-H1093 PolarHBondContact O-N 3.36Å; E1091-H1093 PolarHBondContact O-NE2 2.99Å; H1093-S1097 PolarHBondContact O-N 2.82Å; H1093-R1157 PolarHBondContact ND1-NH1 2.63Å; H1093-V1270 HydrophobicContact CB-CG1 4.44Å; H1093-C1271 VanDerWaalsContact CD2-SG 3.6Å
1094L77.8Confident70.4Confident6 Ų622.9 Ų22.93%0.03112%0.123CC..Hα-helixtrans-64.5-52.6-176.2174.467.9000112F476 L477 Y481 L493 Y956 P1092 I1096 S1097 I1098F476-L1094 HydrophobicContact CD1-CD2 4.49Å; F476-L1094 HydrophobicContact CE1-CD2 4.44Å; L477-L1094 HydrophobicContact CB-CD2 4.3Å; L477-L1094 HydrophobicContact CD1-CD1 3.8Å; L477-L1094 HydrophobicContact CD1-CD2 3.74Å; L477-L1094 HydrophobicContact CD1-CG 4.42Å; L477-L1094 HydrophobicContact CG-CD2 4.38Å; Y481-L1094 HydrophobicContact CE2-CD1 4.33Å; L493-L1094 HydrophobicContact CD1-CD1 3.32Å; Y956-L1094 HydrophobicContact CD1-CB 4.47Å; Y956-L1094 HydrophobicContact CD1-CD2 3.91Å; P1092-L1094 VanDerWaalsContact C-N 3.34Å; P1092-L1094 PolarHBondContact O-N 3.21Å; L1094-I1096 VanDerWaalsContact C-N 3.33Å; L1094-I1096 PolarHBondContact O-N 3.31Å; L1094-S1097 VanDerWaalsContact O-CB 3.27Å; L1094-S1097 WeakPolarHBondContact O-CB 3.48Å; L1094-S1097 PolarHBondContact O-N 3.12Å; L1094-S1097 VanDerWaalsContact O-N 3.13Å; L1094-I1098 HydrophobicContact CD1-CD1 4.31Å; L1094-I1098 HydrophobicContact CG-CD1 4.29Å; L1094-I1098 PolarHBondContact O-N 3.2Å; L1094-I1098 VanDerWaalsContact O-N 3.15Å
1095L81.1Confident73.5Confident4 Ų420.2 Ų20.22%0.02110%0.104CC..Hα-helixtrans-69.3-32.5-177.6-79.6168000112F476 I896 G957 L1015 P1092 S1097 I1098 E1099F476-L1095 HydrophobicContact CE1-CD2 4.19Å; F476-L1095 HydrophobicContact CZ-CD2 4.16Å; I896-L1095 HydrophobicContact CD1-CB 3.42Å; I896-L1095 VanDerWaalsContact CD1-CB 3.42Å; I896-L1095 HydrophobicContact CD1-CD1 3.52Å; I896-L1095 HydrophobicContact CD1-CG 4.11Å; I896-L1095 HydrophobicContact CG1-CB 4.08Å; I896-L1095 HydrophobicContact CG1-CD1 4.26Å; G957-L1095 WeakPolarHBondContact O-CD1 3.22Å; L1015-L1095 HydrophobicContact CD2-CD2 4.21Å; P1092-L1095 PolarHBondContact O-N 3.01Å; L1095-S1097 VanDerWaalsContact C-N 3.31Å; L1095-S1097 PolarHBondContact O-N 3.4Å; L1095-I1098 PolarHBondContact O-N 2.95Å; L1095-E1099 PolarHBondContact O-N 2.94Å
1096I84.7Confident76.3Confident0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-58.3-45.2168.9-64.9164.3000110.5I896 L897 F1065 E1091 P1092 L1094 I1098 S1100 Y1155I896-I1096 HydrophobicContact CG2-CG1 4.28Å; L897-I1096 HydrophobicContact CD2-CG2 4.45Å; F1065-I1096 HydrophobicContact CD2-CD1 4.25Å; F1065-I1096 HydrophobicContact CE2-CD1 3.34Å; F1065-I1096 HydrophobicContact CE2-CG1 4.03Å; F1065-I1096 HydrophobicContact CZ-CD1 3.73Å; E1091-I1096 HydrophobicContact CB-CD1 4.01Å; P1092-I1096 HydrophobicContact CG-CD1 4.04Å; P1092-I1096 HydrophobicContact CG-CG1 4.22Å; P1092-I1096 WeakPolarHBondContact O-CD1 3.44Å; P1092-I1096 VanDerWaalsContact O-CG1 3.27Å; P1092-I1096 WeakPolarHBondContact O-CG1 3.45Å; P1092-I1096 PolarHBondContact O-N 2.81Å; P1092-I1096 VanDerWaalsContact O-N 3.16Å; L1094-I1096 VanDerWaalsContact C-N 3.33Å; L1094-I1096 PolarHBondContact O-N 3.31Å; I1096-I1098 PolarHBondContact O-N 3.12Å; I1096-S1100 WeakPolarHBondContact O-CB 3.39Å; I1096-S1100 PolarHBondContact O-N 3.28Å; I1096-S1100 PolarHBondContact O-OG 3.42Å; I1096-Y1155 HydrophobicContact CG2-CD1 4.22Å
1097S85.3Confident79.1Confident0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-57.5-49.2178.3-170.50000111Y489 H1093 L1094 L1095 S1100 E1101 Q1160Y489-S1097 PolarHBondContact OH-O 2.97Å; Y489-S1097 PolarHBondContact OH-OG 3.44Å; H1093-S1097 PolarHBondContact O-N 2.82Å; L1094-S1097 VanDerWaalsContact O-CB 3.27Å; L1094-S1097 WeakPolarHBondContact O-CB 3.48Å; L1094-S1097 PolarHBondContact O-N 3.12Å; L1094-S1097 VanDerWaalsContact O-N 3.13Å; L1095-S1097 VanDerWaalsContact C-N 3.31Å; L1095-S1097 PolarHBondContact O-N 3.4Å; S1097-S1100 PolarHBondContact O-OG 3.24Å; S1097-E1101 PolarHBondContact O-N 3.43Å; S1097-E1101 VanDerWaalsContact O-N 3.09Å; S1097-Q1160 PolarHBondContact O-NE2 2.94Å
1098I82.3Confident81.4Confident0 Ų010.2 Ų10.20%05%0.052CC..Hα-helixtrans-68.5-45.1-176.7-53.9166.1000111.8Y481 I488 Y489 L1015 L1094 L1095 I1096 E1101 L1102Y481-I1098 HydrophobicContact CD2-CD1 4.22Å; Y481-I1098 HydrophobicContact CE2-CD1 3.82Å; Y481-I1098 HydrophobicContact CE2-CG1 3.98Å; I488-I1098 HydrophobicContact CD1-CG2 4.47Å; Y489-I1098 HydrophobicContact CE2-CG1 4.26Å; Y489-I1098 VanDerWaalsContact OH-CA 3.27Å; Y489-I1098 WeakPolarHBondContact OH-CA 3.32Å; Y489-I1098 PolarHBondContact OH-N 3Å; L1015-I1098 HydrophobicContact CD1-CG2 4.1Å; L1015-I1098 HydrophobicContact CD2-CB 4.31Å; L1015-I1098 HydrophobicContact CD2-CD1 3.98Å; L1015-I1098 HydrophobicContact CD2-CG2 3.72Å; L1015-I1098 HydrophobicContact CG-CG2 4.12Å; L1094-I1098 HydrophobicContact CD1-CD1 4.31Å; L1094-I1098 HydrophobicContact CG-CD1 4.29Å; L1094-I1098 PolarHBondContact O-N 3.2Å; L1094-I1098 VanDerWaalsContact O-N 3.15Å; L1095-I1098 PolarHBondContact O-N 2.95Å; I1096-I1098 PolarHBondContact O-N 3.12Å; I1098-E1101 WeakPolarHBondContact O-CB 3.34Å; I1098-E1101 PolarHBondContact O-N 3.21Å; I1098-L1102 HydrophobicContact CG2-CD1 4.35Å; I1098-L1102 WeakPolarHBondContact O-CG 3.33Å; I1098-L1102 PolarHBondContact O-N 2.91Å; I1098-L1102 VanDerWaalsContact O-N 3.17Å
1099E88Confident83.5Confident2 Ų27.2 Ų7.21%0.0094%0.036CC..Hα-helixtrans-69.7-39.8-179.9-70-177-145.400112.4F890 S895 I896 L897 L1015 L1095 E1101 L1102 I1103F890-E1099 HydrophobicContact CZ-CG 4.42Å; S895-E1099 VanDerWaalsContact CA-OE1 3.3Å; S895-E1099 WeakPolarHBondContact CA-OE1 3.48Å; S895-E1099 WeakPolarHBondContact CA-OE2 3.11Å; S895-E1099 WeakPolarHBondContact CB-OE2 3.48Å; S895-E1099 PolarHBondContact OG-OE2 2.92Å; I896-E1099 PolarHBondContact N-OE1 2.88Å; I896-E1099 PolarHBondContact N-OE2 3.4Å; L897-E1099 HydrophobicContact CD1-CB 3.53Å; L897-E1099 HydrophobicContact CG-CB 3.99Å; L897-E1099 PolarHBondContact N-OE2 3.07Å; L897-E1099 VanDerWaalsContact N-OE2 3.13Å; L1015-E1099 HydrophobicContact CD1-CG 4.48Å; L1095-E1099 PolarHBondContact O-N 2.94Å; E1099-E1101 PolarHBondContact O-N 3.16Å; E1099-L1102 PolarHBondContact O-N 3.34Å; E1099-I1103 WeakPolarHBondContact O-CB 3.48Å; E1099-I1103 VanDerWaalsContact O-CG1 3.28Å; E1099-I1103 WeakPolarHBondContact O-CG1 3.25Å; E1099-I1103 PolarHBondContact O-N 3.34Å
1100S89.2Confident85.3Confident0 Ų05.6 Ų5.60%03%0.027CC..Hα-helixtrans-63.3-31.7175.962.40000111.9I1096 S1097 T1104 Q1160I1096-S1100 WeakPolarHBondContact O-CB 3.39Å; I1096-S1100 PolarHBondContact O-N 3.28Å; I1096-S1100 PolarHBondContact O-OG 3.42Å; S1097-S1100 PolarHBondContact O-OG 3.24Å; S1100-T1104 WeakPolarHBondContact O-CB 3.38Å; S1100-T1104 PolarHBondContact O-N 2.95Å; S1100-T1104 PolarHBondContact O-OG1 3.1Å; S1100-Q1160 PolarHBondContact OG-OE1 3.13Å
1101E89.2Confident86.8Confident11 Ų113.6 Ų3.65%0.0512%0.016CC..Hα-helixtrans-62.6-55.2171.6-165.9134.5168.400112.3I488 Y489 S1097 I1098 E1099 I1103 T1104 R1105 Q1160 L1163I488-E1101 HydrophobicContact CG2-CB 4.03Å; I488-E1101 HydrophobicContact CG2-CG 3.33Å; I488-E1101 WeakPolarHBondContact CG2-OE1 3.36Å; I488-E1101 VanDerWaalsContact O-OE1 3.07Å; Y489-E1101 WeakPolarHBondContact CE1-OE2 3.34Å; Y489-E1101 PolarHBondContact OH-OE2 2.97Å; S1097-E1101 PolarHBondContact O-N 3.43Å; S1097-E1101 VanDerWaalsContact O-N 3.09Å; I1098-E1101 WeakPolarHBondContact O-CB 3.34Å; I1098-E1101 PolarHBondContact O-N 3.21Å; E1099-E1101 PolarHBondContact O-N 3.16Å; E1101-I1103 VanDerWaalsContact C-N 3.34Å; E1101-I1103 PolarHBondContact O-N 3.4Å; E1101-T1104 PolarHBondContact O-N 2.89Å; E1101-R1105 WeakPolarHBondContact O-CG 3.46Å; E1101-R1105 PolarHBondContact O-N 3.4Å; E1101-Q1160 PolarHBondContact OE2-NE2 2.91Å; E1101-L1163 HydrophobicContact CG-CD1 3.54Å
1102L89.5Confident87.4Confident0 Ų05.8 Ų5.80%03%0.027CC..Hα-helixtrans-60.6-45.8-175.9-72.4173.7000110.7I488 L1015 M1018 V1022 W1055 I1098 E1099 T1104 R1105 I1106I488-L1102 HydrophobicContact CD1-CD2 3.55Å; I488-L1102 HydrophobicContact CD1-CG 4.04Å; I488-L1102 HydrophobicContact CG1-CD2 4.48Å; L1015-L1102 HydrophobicContact CD1-CD1 3.85Å; M1018-L1102 HydrophobicContact CB-CD1 4.08Å; V1022-L1102 HydrophobicContact CB-CD2 4.3Å; V1022-L1102 HydrophobicContact CG2-CD2 4.05Å; W1055-L1102 HydrophobicContact CH2-CB 4.15Å; W1055-L1102 HydrophobicContact CZ3-CB 4.4Å; I1098-L1102 HydrophobicContact CG2-CD1 4.35Å; I1098-L1102 WeakPolarHBondContact O-CG 3.33Å; I1098-L1102 PolarHBondContact O-N 2.91Å; I1098-L1102 VanDerWaalsContact O-N 3.17Å; E1099-L1102 PolarHBondContact O-N 3.34Å; L1102-T1104 PolarHBondContact O-N 3.23Å; L1102-R1105 PolarHBondContact O-N 3.3Å; L1102-I1106 WeakPolarHBondContact O-CD1 3.48Å; L1102-I1106 VanDerWaalsContact O-CG1 3.23Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.36Å; L1102-I1106 PolarHBondContact O-N 3.13Å
1103I92Very high87.6Confident2 Ų25.7 Ų5.71%0.013%0.026CC..Hα-helixtrans-62.2-45.2177.3-67.2168000110.4L897 W1055 V1059 E1099 E1101 R1105 I1106 L1107 I1152L897-I1103 HydrophobicContact CB-CD1 4.38Å; L897-I1103 HydrophobicContact CD1-CD1 3.46Å; L897-I1103 VanDerWaalsContact CD1-CD1 3.46Å; W1055-I1103 HydrophobicContact CD2-CG1 4.21Å; W1055-I1103 HydrophobicContact CE3-CG1 4.2Å; W1055-I1103 HydrophobicContact CH2-CD1 4.18Å; W1055-I1103 HydrophobicContact CH2-CG1 3.57Å; W1055-I1103 HydrophobicContact CZ2-CD1 3.66Å; W1055-I1103 HydrophobicContact CZ2-CG1 3.56Å; W1055-I1103 HydrophobicContact CZ3-CG1 3.9Å; V1059-I1103 HydrophobicContact CG2-CD1 3.85Å; E1099-I1103 WeakPolarHBondContact O-CB 3.48Å; E1099-I1103 VanDerWaalsContact O-CG1 3.28Å; E1099-I1103 WeakPolarHBondContact O-CG1 3.25Å; E1099-I1103 PolarHBondContact O-N 3.34Å; E1101-I1103 VanDerWaalsContact C-N 3.34Å; E1101-I1103 PolarHBondContact O-N 3.4Å; I1103-R1105 VanDerWaalsContact C-N 3.32Å; I1103-R1105 PolarHBondContact O-N 3.48Å; I1103-I1106 PolarHBondContact O-N 3.03Å; I1103-L1107 HydrophobicContact CG2-CD1 3.91Å; I1103-L1107 HydrophobicContact CG2-CG 4.24Å; I1103-L1107 VanDerWaalsContact O-CG 3.29Å; I1103-L1107 WeakPolarHBondContact O-CG 3.33Å; I1103-L1107 PolarHBondContact O-N 3.21Å; I1103-I1152 HydrophobicContact CD1-CD1 4.24Å; I1103-I1152 HydrophobicContact CG2-CD1 4.34Å; I1103-I1152 HydrophobicContact CG2-CG1 4.17Å
1104T93.6Very high87.6Confident0 Ų05.6 Ų5.60%03%0.026CC..Hα-helixtrans-61.9-41.3-179.9-61.70000111.6S1100 E1101 L1102 L1107 L1108 L1156 L1163 L1167S1100-T1104 WeakPolarHBondContact O-CB 3.38Å; S1100-T1104 PolarHBondContact O-N 2.95Å; S1100-T1104 PolarHBondContact O-OG1 3.1Å; E1101-T1104 PolarHBondContact O-N 2.89Å; L1102-T1104 PolarHBondContact O-N 3.23Å; T1104-L1107 PolarHBondContact O-N 3.42Å; T1104-L1108 HydrophobicContact CG2-CD1 4.26Å; T1104-L1108 VanDerWaalsContact O-CG 3.3Å; T1104-L1108 WeakPolarHBondContact O-CG 3.38Å; T1104-L1108 PolarHBondContact O-N 3.36Å; T1104-L1156 WeakPolarHBondContact OG1-CD2 3.23Å; T1104-L1163 HydrophobicContact CG2-CB 3.96Å; T1104-L1167 HydrophobicContact CG2-CB 4.1Å; T1104-L1167 HydrophobicContact CG2-CD1 4.18Å; T1104-L1167 HydrophobicContact CG2-CD2 4.12Å; T1104-L1167 HydrophobicContact CG2-CG 4.36Å
1105R92.6Very high87.6Confident23 Ų238.5 Ų8.59%0.0874%0.039CC..Hα-helixtrans-62.5-43.6174.5-74.7176.366.9179.2-0.9112.6V1022 N1023 E1026 E1101 L1102 I1103 L1108 L1109 L1163V1022-R1105 HydrophobicContact CG1-CB 3.97Å; N1023-R1105 PolarHBondContact OD1-NH2 3.13Å; E1026-R1105 VanDerWaalsContact CD-NH2 3.27Å; E1026-R1105 WeakPolarHBondContact OE1-CB 3.45Å; E1026-R1105 IonicContact OE1-CZ 3.37Å; E1026-R1105 IonicContact OE1-NE 3.63Å; E1026-R1105 PolarHBondContact OE1-NE 3.48Å; E1026-R1105 IonicContact OE1-NH2 3.19Å; E1026-R1105 PolarHBondContact OE1-NH2 3.4Å; E1026-R1105 IonicContact OE2-CZ 2.85Å; E1026-R1105 IonicContact OE2-NE 2.71Å; E1026-R1105 IonicContact OE2-NH2 2.81Å; E1026-R1105 PolarHBondContact OE2-NH2 3.1Å; E1101-R1105 WeakPolarHBondContact O-CG 3.46Å; E1101-R1105 PolarHBondContact O-N 3.4Å; L1102-R1105 PolarHBondContact O-N 3.3Å; I1103-R1105 VanDerWaalsContact C-N 3.32Å; I1103-R1105 PolarHBondContact O-N 3.48Å; R1105-L1108 PolarHBondContact O-N 3.37Å; R1105-L1109 WeakPolarHBondContact O-CB 3.29Å; R1105-L1109 PolarHBondContact O-N 2.83Å; R1105-L1163 HydrophobicContact CG-CD1 4.42Å; R1105-L1163 HydrophobicContact CG-CD2 3.97Å
1106I92.6Very high87.2Confident1 Ų111.4 Ų11.41%0.0056%0.055CC..Hα-helixtrans-63.7-42.8175.5-61.7159.9000110.8V1022 L1052 W1055 I1056 L1102 I1103 L1108 L1109 F1110V1022-I1106 HydrophobicContact CG1-CG1 4.39Å; V1022-I1106 HydrophobicContact CG2-CD1 3.74Å; V1022-I1106 HydrophobicContact CG2-CG1 3.6Å; L1052-I1106 HydrophobicContact CD2-CD1 4.02Å; W1055-I1106 HydrophobicContact CE3-CD1 3.89Å; W1055-I1106 HydrophobicContact CZ3-CD1 3.69Å; I1056-I1106 HydrophobicContact CD1-CG2 3.74Å; L1102-I1106 WeakPolarHBondContact O-CD1 3.48Å; L1102-I1106 VanDerWaalsContact O-CG1 3.23Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.36Å; L1102-I1106 PolarHBondContact O-N 3.13Å; I1103-I1106 PolarHBondContact O-N 3.03Å; I1106-L1108 VanDerWaalsContact C-N 3.33Å; I1106-L1108 PolarHBondContact O-N 2.81Å; I1106-L1109 WeakPolarHBondContact O-CB 3.48Å; I1106-L1109 PolarHBondContact O-N 3.23Å; I1106-F1110 HydrophobicContact CG2-CD1 4.17Å; I1106-F1110 HydrophobicContact CG2-CD2 4.16Å; I1106-F1110 HydrophobicContact CG2-CE1 3.87Å; I1106-F1110 HydrophobicContact CG2-CE2 3.89Å; I1106-F1110 HydrophobicContact CG2-CG 4.3Å; I1106-F1110 HydrophobicContact CG2-CZ 3.72Å; I1106-F1110 WeakPolarHBondContact O-CB 3.35Å; I1106-F1110 WeakPolarHBondContact O-CG 3.3Å; I1106-F1110 PolarHBondContact O-N 3.26Å
1107L94.2Very high86.2Confident0 Ų016.4 Ų16.40%08%0.081CC..Hα-helixtrans-61.4-42.1177.2-70.3171.8000111.6I1056 I1103 T1104 F1110 S1111 I1145 A1148 A1149 I1152 L1167I1056-L1107 HydrophobicContact CD1-CD2 4.07Å; I1056-L1107 HydrophobicContact CG1-CD2 4.13Å; I1056-L1107 HydrophobicContact CG2-CD2 4.1Å; I1103-L1107 HydrophobicContact CG2-CD1 3.91Å; I1103-L1107 HydrophobicContact CG2-CG 4.24Å; I1103-L1107 VanDerWaalsContact O-CG 3.29Å; I1103-L1107 WeakPolarHBondContact O-CG 3.33Å; I1103-L1107 PolarHBondContact O-N 3.21Å; T1104-L1107 PolarHBondContact O-N 3.42Å; L1107-F1110 PolarHBondContact O-N 3.3Å; L1107-S1111 VanDerWaalsContact O-CB 3.28Å; L1107-S1111 WeakPolarHBondContact O-CB 3.27Å; L1107-S1111 PolarHBondContact O-N 2.86Å; L1107-I1145 HydrophobicContact CD2-CB 4.38Å; L1107-I1145 HydrophobicContact CD2-CG2 3.87Å; L1107-A1148 HydrophobicContact CD1-CB 4.36Å; L1107-A1148 HydrophobicContact CD2-CB 3.94Å; L1107-A1149 HydrophobicContact CD1-CB 4.29Å; L1107-I1152 HydrophobicContact CD1-CG2 3.95Å; L1107-L1167 HydrophobicContact CB-CD1 4.4Å; L1107-L1167 HydrophobicContact CD1-CD1 4.39Å
1108L92.2Very high85.2Confident4 Ų425.1 Ų25.12%0.02112%0.122CC..Hα-helixtrans-63.2-47.9174.9-72.2170.5000111.5T1104 R1105 I1106 F1110 S1111 Q1112 L1163 R1166 E1170 V1171T1104-L1108 HydrophobicContact CG2-CD1 4.26Å; T1104-L1108 VanDerWaalsContact O-CG 3.3Å; T1104-L1108 WeakPolarHBondContact O-CG 3.38Å; T1104-L1108 PolarHBondContact O-N 3.36Å; R1105-L1108 PolarHBondContact O-N 3.37Å; I1106-L1108 VanDerWaalsContact C-N 3.33Å; I1106-L1108 PolarHBondContact O-N 2.81Å; L1108-F1110 PolarHBondContact O-N 3.11Å; L1108-S1111 WeakPolarHBondContact O-CB 3.49Å; L1108-S1111 PolarHBondContact O-N 2.85Å; L1108-Q1112 WeakPolarHBondContact O-CG 3.38Å; L1108-Q1112 PolarHBondContact O-N 2.78Å; L1108-L1163 HydrophobicContact CD1-CD2 3.96Å; L1108-R1166 HydrophobicContact CD1-CB 3.94Å; L1108-R1166 HydrophobicContact CD2-CB 3.89Å; L1108-E1170 HydrophobicContact CD2-CB 4.02Å; L1108-V1171 HydrophobicContact CD2-CG2 3.93Å
1109L88.7Confident84.7Confident4 Ų425.3 Ų25.32%0.02112%0.123CC..Hα-helixtrans-56.3-48.9176.3-179.486.3000111.5L1025 E1026 I1029 I1030 R1105 I1106 Q1112 I1113L1025-L1109 HydrophobicContact CB-CD2 3.83Å; E1026-L1109 HydrophobicContact CB-CD1 4.41Å; E1026-L1109 HydrophobicContact CG-CD1 3.91Å; I1029-L1109 HydrophobicContact CB-CD1 4.06Å; I1029-L1109 HydrophobicContact CD1-CD1 4.13Å; I1029-L1109 HydrophobicContact CD1-CD2 3.84Å; I1029-L1109 HydrophobicContact CD1-CG 4.22Å; I1029-L1109 HydrophobicContact CG2-CD1 4.12Å; I1030-L1109 HydrophobicContact CD1-CD1 4.04Å; I1030-L1109 HydrophobicContact CG1-CD1 3.95Å; R1105-L1109 WeakPolarHBondContact O-CB 3.29Å; R1105-L1109 PolarHBondContact O-N 2.83Å; I1106-L1109 WeakPolarHBondContact O-CB 3.48Å; I1106-L1109 PolarHBondContact O-N 3.23Å; L1109-Q1112 PolarHBondContact O-N 3.44Å; L1109-I1113 HydrophobicContact CG-CD1 4.29Å; L1109-I1113 WeakPolarHBondContact O-CG1 3.39Å; L1109-I1113 PolarHBondContact O-N 3.3Å
1110F89.9Confident84Confident0 Ų028.6 Ų28.60%014%0.141CC..Hα-helixtrans-68.7-37.4-178.8-74.49.2000111.6L1049 L1052 I1053 I1056 I1106 L1107 L1108 Q1112 I1113 L1114 L1125 L1129 I1145L1049-F1110 HydrophobicContact CD2-CE1 3.42Å; L1049-F1110 VanDerWaalsContact CD2-CE1 3.42Å; L1049-F1110 HydrophobicContact CD2-CZ 3.52Å; L1052-F1110 HydrophobicContact CB-CZ 4.19Å; I1053-F1110 HydrophobicContact CG1-CE2 3.96Å; I1053-F1110 HydrophobicContact CG1-CZ 4.49Å; I1056-F1110 HydrophobicContact CD1-CD2 3.52Å; I1056-F1110 HydrophobicContact CD1-CE2 3.53Å; I1106-F1110 HydrophobicContact CG2-CD1 4.17Å; I1106-F1110 HydrophobicContact CG2-CD2 4.16Å; I1106-F1110 HydrophobicContact CG2-CE1 3.87Å; I1106-F1110 HydrophobicContact CG2-CE2 3.89Å; I1106-F1110 HydrophobicContact CG2-CG 4.3Å; I1106-F1110 HydrophobicContact CG2-CZ 3.72Å; I1106-F1110 WeakPolarHBondContact O-CB 3.35Å; I1106-F1110 WeakPolarHBondContact O-CG 3.3Å; I1106-F1110 PolarHBondContact O-N 3.26Å; L1107-F1110 PolarHBondContact O-N 3.3Å; L1108-F1110 PolarHBondContact O-N 3.11Å; F1110-Q1112 VanDerWaalsContact C-N 3.35Å; F1110-Q1112 PolarHBondContact O-N 2.83Å; F1110-I1113 HydrophobicContact CD1-CD1 4.31Å; F1110-I1113 PolarHBondContact O-N 3.01Å; F1110-L1114 WeakPolarHBondContact O-CG 3.21Å; F1110-L1114 PolarHBondContact O-N 2.96Å; F1110-L1125 HydrophobicContact CB-CD1 4.34Å; F1110-L1125 HydrophobicContact CD1-CD1 4.22Å; F1110-L1125 HydrophobicContact CD2-CD2 4.24Å; F1110-L1125 HydrophobicContact CE2-CD2 4.16Å; F1110-L1125 HydrophobicContact CG-CD1 4.15Å; F1110-L1125 HydrophobicContact CZ-CD2 4.41Å; F1110-L1129 HydrophobicContact CD2-CD1 3.63Å; F1110-L1129 HydrophobicContact CE2-CD1 4.05Å; F1110-I1145 HydrophobicContact CB-CD1 3.92Å
1111S89.4Confident83.4Confident0 Ų028.9 Ų28.90%014%0.142CC..Hα-helixtrans-57.3-48.7172.3-175.20000111.1L1107 L1108 I1113 L1114 E1115 E1170 Q1177L1107-S1111 VanDerWaalsContact O-CB 3.28Å; L1107-S1111 WeakPolarHBondContact O-CB 3.27Å; L1107-S1111 PolarHBondContact O-N 2.86Å; L1108-S1111 WeakPolarHBondContact O-CB 3.49Å; L1108-S1111 PolarHBondContact O-N 2.85Å; S1111-I1113 PolarHBondContact O-N 3.49Å; S1111-L1114 PolarHBondContact O-N 3.35Å; S1111-L1114 VanDerWaalsContact O-N 3.16Å; S1111-E1115 PolarHBondContact O-N 3.48Å; S1111-E1115 VanDerWaalsContact O-N 3.16Å; S1111-E1170 PolarHBondContact OG-O 3.35Å; S1111-E1170 VanDerWaalsContact OG-O 3.04Å; S1111-Q1177 PolarHBondContact OG-NE2 3.07Å
1112Q86Confident82.8Confident54 Ų5428.3 Ų28.325%0.25214%0.14SC..Hα-helixtrans-62.3-38.6178.6-71.1-179.9-5.800112.8L1108 L1109 F1110 E1115 E1170L1108-Q1112 WeakPolarHBondContact O-CG 3.38Å; L1108-Q1112 PolarHBondContact O-N 2.78Å; L1109-Q1112 PolarHBondContact O-N 3.44Å; F1110-Q1112 VanDerWaalsContact C-N 3.35Å; F1110-Q1112 PolarHBondContact O-N 2.83Å; Q1112-E1115 PolarHBondContact O-N 3.12Å; Q1112-E1170 PolarHBondContact NE2-OE2 2.76Å
1113I81.6Confident82.3Confident1 Ų132.5 Ų32.51%0.00517%0.165CC..Hα-helixtrans-64.7-41.9174.7-66163.6000111.1I1029 L1109 F1110 S1111 E1115 L1116 L1121 S1122 L1125I1029-I1113 HydrophobicContact CD1-CD1 3.76Å; I1029-I1113 HydrophobicContact CG1-CD1 4.36Å; I1029-I1113 HydrophobicContact CG2-CD1 3.74Å; I1029-I1113 HydrophobicContact CG2-CG1 3.53Å; L1109-I1113 HydrophobicContact CG-CD1 4.29Å; L1109-I1113 WeakPolarHBondContact O-CG1 3.39Å; L1109-I1113 PolarHBondContact O-N 3.3Å; F1110-I1113 HydrophobicContact CD1-CD1 4.31Å; F1110-I1113 PolarHBondContact O-N 3.01Å; S1111-I1113 PolarHBondContact O-N 3.49Å; I1113-E1115 PolarHBondContact O-N 3.47Å; I1113-L1116 WeakPolarHBondContact O-CB 3.3Å; I1113-L1116 PolarHBondContact O-N 3.15Å; I1113-L1121 HydrophobicContact CD1-CD2 3.73Å; I1113-L1121 HydrophobicContact CG1-CD2 4.31Å; I1113-L1121 HydrophobicContact CG2-CB 4.15Å; I1113-L1121 HydrophobicContact CG2-CD2 3.97Å; I1113-L1121 HydrophobicContact CG2-CG 3.99Å; I1113-S1122 WeakPolarHBondContact O-CB 3.45Å; I1113-L1125 HydrophobicContact CB-CD1 3.98Å; I1113-L1125 HydrophobicContact CD1-CD1 3.98Å; I1113-L1125 HydrophobicContact CG2-CD1 3.75Å
1114L80.3Confident81.7Confident6 Ų635.5 Ų35.53%0.03118%0.177CC..Hα-helixtrans-64.4-29.3-179.4-75.6-177.8000113.3F1110 S1111 L1116 L1125 K1126 I1145 L1180F1110-L1114 WeakPolarHBondContact O-CG 3.21Å; F1110-L1114 PolarHBondContact O-N 2.96Å; S1111-L1114 PolarHBondContact O-N 3.35Å; S1111-L1114 VanDerWaalsContact O-N 3.16Å; L1114-L1116 PolarHBondContact O-N 2.95Å; L1114-L1125 HydrophobicContact CD2-CB 3.91Å; L1114-K1126 HydrophobicContact CD2-CB 4.43Å; L1114-K1126 HydrophobicContact CD2-CD 4.4Å; L1114-K1126 HydrophobicContact CD2-CG 3.44Å; L1114-K1126 VanDerWaalsContact CD2-CG 3.44Å; L1114-I1145 HydrophobicContact CD1-CD1 3.28Å; L1114-I1145 HydrophobicContact CG-CD1 4.28Å; L1114-L1180 HydrophobicContact CD1-CD1 4.38Å
1115E77.9Confident81.2Confident66 Ų6635.5 Ų35.531%0.30818%0.177SC..THydrogen-bonded Turntrans-66.5-17.1174.5-71.7-172165.700113.3S1111 Q1112 I1113 N1117 N1174 R1176S1111-E1115 PolarHBondContact O-N 3.48Å; S1111-E1115 VanDerWaalsContact O-N 3.16Å; Q1112-E1115 PolarHBondContact O-N 3.12Å; I1113-E1115 PolarHBondContact O-N 3.47Å; E1115-N1117 PolarHBondContact O-N 2.93Å; E1115-N1174 PolarHBondContact OE1-ND2 2.87Å; E1115-R1176 PolarHBondContact O-NH1 2.86Å
1116L73Confident80.6Confident66 Ų6637 Ų3735%0.34618%0.184SC..  trans-95.282.7178.6-56.2172.1000109.7H1035 I1113 L1114 E1118 S1119 S1122H1035-L1116 VanDerWaalsContact NE2-CD1 3.26Å; H1035-L1116 WeakPolarHBondContact NE2-CD1 3.44Å; I1113-L1116 WeakPolarHBondContact O-CB 3.3Å; I1113-L1116 PolarHBondContact O-N 3.15Å; L1114-L1116 PolarHBondContact O-N 2.95Å; L1116-E1118 PolarHBondContact O-N 2.58Å; L1116-S1119 PolarHBondContact O-N 2.96Å; L1116-S1119 PolarHBondContact O-OG 2.89Å; L1116-S1122 VanDerWaalsContact O-CB 3.26Å; L1116-S1122 WeakPolarHBondContact O-CB 3.49Å; L1116-S1122 PolarHBondContact O-OG 3.42Å
1117N62Low80Confident104 Ų10441 Ų4156%0.55621%0.212SC*.THydrogen-bonded Turntrans-57.9-20.5-174.8-80-24.2000115.2E1115 K1126E1115-N1117 PolarHBondContact O-N 2.93Å; N1117-K1126 PolarHBondContact OD1-NZ 2.66Å
1118E64.7Low79.4Confident184 Ų18441.9 Ų41.986%0.8622%0.218SC*.THydrogen-bonded Turntrans-90.6-6.7-172.9-62.1-177.1170.100114L1116L1116-E1118 PolarHBondContact O-N 2.58Å
1119S71.7Confident78.9Confident4 Ų441.7 Ų41.73%0.02822%0.217CC..  trans-88.8138.5-176.570.40000113.1H1035 L1116 L1121 S1122 V1123H1035-S1119 WeakPolarHBondContact O-CB 3.47Å; L1116-S1119 PolarHBondContact O-N 2.96Å; L1116-S1119 PolarHBondContact O-OG 2.89Å; S1119-L1121 PolarHBondContact O-N 3.08Å; S1119-S1122 PolarHBondContact O-N 2.89Å; S1119-S1122 VanDerWaalsContact O-N 3.09Å; S1119-S1122 PolarHBondContact O-OG 3.18Å; S1119-S1122 VanDerWaalsContact OG-CB 3.29Å; S1119-S1122 WeakPolarHBondContact OG-CB 3.46Å; S1119-S1122 PolarHBondContact OG-N 3.35Å; S1119-S1122 VanDerWaalsContact OG-N 3.11Å; S1119-S1122 PolarHBondContact OG-OG 3.45Å; S1119-V1123 PolarHBondContact O-N 2.78Å
1120N73.2Confident78.3Confident71 Ų7142 Ų4238%0.3822%0.22SC..Hα-helixtrans-59.2-29.8172.4-67.4-51.6000111.8L1039 L1042 V1123 Y1124L1039-N1120 HydrophobicContact CD2-CB 4.49Å; L1039-N1120 HydrophobicContact CG-CB 4.49Å; L1042-N1120 HydrophobicContact CD1-CB 4.27Å; N1120-V1123 PolarHBondContact O-N 3.35Å; N1120-Y1124 PolarHBondContact O-N 3.47Å
1121L76.8Confident77Confident5 Ų543.4 Ų43.43%0.02623%0.229CC..Hα-helixtrans-66.6-40.5176.5-164.763.5000111.9H1035 L1042 I1045 L1049 I1113 S1119 V1123 Y1124 L1125H1035-L1121 HydrophobicContact CB-CB 4.33Å; H1035-L1121 HydrophobicContact CB-CD2 4.09Å; L1042-L1121 HydrophobicContact CD2-CD1 4.12Å; I1045-L1121 HydrophobicContact CG2-CD1 4.43Å; L1049-L1121 HydrophobicContact CD1-CD1 3.44Å; L1049-L1121 VanDerWaalsContact CD1-CD1 3.44Å; L1049-L1121 HydrophobicContact CD1-CD2 4.48Å; L1049-L1121 HydrophobicContact CD1-CG 4.29Å; I1113-L1121 HydrophobicContact CD1-CD2 3.73Å; I1113-L1121 HydrophobicContact CG1-CD2 4.31Å; I1113-L1121 HydrophobicContact CG2-CB 4.15Å; I1113-L1121 HydrophobicContact CG2-CD2 3.97Å; I1113-L1121 HydrophobicContact CG2-CG 3.99Å; S1119-L1121 PolarHBondContact O-N 3.08Å; L1121-V1123 VanDerWaalsContact C-N 3.33Å; L1121-Y1124 PolarHBondContact O-N 2.86Å; L1121-L1125 WeakPolarHBondContact O-CB 3.49Å; L1121-L1125 WeakPolarHBondContact O-CG 3.32Å; L1121-L1125 PolarHBondContact O-N 3.42Å
1122S78.2Confident75.2Confident0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-66.6-37.2175.475.10000111.1I1113 L1116 S1119 L1125 K1126I1113-S1122 WeakPolarHBondContact O-CB 3.45Å; L1116-S1122 VanDerWaalsContact O-CB 3.26Å; L1116-S1122 WeakPolarHBondContact O-CB 3.49Å; L1116-S1122 PolarHBondContact O-OG 3.42Å; S1119-S1122 PolarHBondContact O-N 2.89Å; S1119-S1122 VanDerWaalsContact O-N 3.09Å; S1119-S1122 PolarHBondContact O-OG 3.18Å; S1119-S1122 VanDerWaalsContact OG-CB 3.29Å; S1119-S1122 WeakPolarHBondContact OG-CB 3.46Å; S1119-S1122 PolarHBondContact OG-N 3.35Å; S1119-S1122 VanDerWaalsContact OG-N 3.11Å; S1119-S1122 PolarHBondContact OG-OG 3.45Å; S1122-L1125 PolarHBondContact O-N 2.67Å; S1122-K1126 VanDerWaalsContact O-CB 3.3Å; S1122-K1126 WeakPolarHBondContact O-CB 3.5Å; S1122-K1126 WeakPolarHBondContact O-CG 3.4Å; S1122-K1126 PolarHBondContact O-N 3.43Å
1123V78.9Confident73.3Confident87 Ų8747.3 Ų47.353%0.52725%0.254SS..Hα-helixtrans-61.4-45.4172.7179.70000111.3S1119 N1120 L1121 K1126 S1127S1119-V1123 PolarHBondContact O-N 2.78Å; N1120-V1123 PolarHBondContact O-N 3.35Å; L1121-V1123 VanDerWaalsContact C-N 3.33Å; V1123-K1126 PolarHBondContact O-N 3.32Å; V1123-S1127 PolarHBondContact O-N 3.47Å; V1123-S1127 PolarHBondContact O-OG 3.43Å
1124Y79.4Confident71.6Confident65 Ų6553.8 Ų53.826%0.25529%0.294SS..Hα-helixtrans-61.5-48.4176.8176.2-106.7000112.4S1046 L1049 I1053 N1120 L1121 S1127 S1128S1046-Y1124 PolarHBondContact O-OH 3.08Å; L1049-Y1124 HydrophobicContact CB-CE1 4.39Å; I1053-Y1124 HydrophobicContact CD1-CE1 3.83Å; N1120-Y1124 PolarHBondContact O-N 3.47Å; L1121-Y1124 PolarHBondContact O-N 2.86Å; Y1124-S1127 PolarHBondContact O-N 2.89Å; Y1124-S1127 PolarHBondContact O-OG 3.32Å; Y1124-S1128 WeakPolarHBondContact O-CB 3.43Å; Y1124-S1128 PolarHBondContact O-N 3.23Å; Y1124-S1128 VanDerWaalsContact O-N 3.09Å; Y1124-S1128 PolarHBondContact O-OG 3.2Å
1125L81.5Confident69.7Low0 Ų060.5 Ų60.50%033%0.33CS..Hα-helixtrans-63.5-42.1177.3-72.2-179000111.8L1049 I1053 F1110 I1113 L1114 L1121 S1122 S1127 S1128 L1129L1049-L1125 HydrophobicContact CD1-CD2 4.47Å; I1053-L1125 HydrophobicContact CD1-CD2 3.76Å; I1053-L1125 HydrophobicContact CG1-CD2 4.11Å; F1110-L1125 HydrophobicContact CB-CD1 4.34Å; F1110-L1125 HydrophobicContact CD1-CD1 4.22Å; F1110-L1125 HydrophobicContact CD2-CD2 4.24Å; F1110-L1125 HydrophobicContact CE2-CD2 4.16Å; F1110-L1125 HydrophobicContact CG-CD1 4.15Å; F1110-L1125 HydrophobicContact CZ-CD2 4.41Å; I1113-L1125 HydrophobicContact CB-CD1 3.98Å; I1113-L1125 HydrophobicContact CD1-CD1 3.98Å; I1113-L1125 HydrophobicContact CG2-CD1 3.75Å; L1114-L1125 HydrophobicContact CD2-CB 3.91Å; L1121-L1125 WeakPolarHBondContact O-CB 3.49Å; L1121-L1125 WeakPolarHBondContact O-CG 3.32Å; L1121-L1125 PolarHBondContact O-N 3.42Å; S1122-L1125 PolarHBondContact O-N 2.67Å; L1125-S1127 PolarHBondContact O-N 3.1Å; L1125-S1128 PolarHBondContact O-N 3.26Å; L1125-S1128 VanDerWaalsContact O-N 3.14Å; L1125-L1129 HydrophobicContact CD2-CD1 4.23Å; L1125-L1129 WeakPolarHBondContact O-CB 3.31Å; L1125-L1129 PolarHBondContact O-N 3.17Å
1126K80.8Confident67.9Low56 Ų5661.3 Ų61.324%0.24336%0.355CS..Hα-helixtrans-56.8-49.6173.4-76.1177.4-174178.60110.4L1114 N1117 S1122 V1123 S1128 C1130L1114-K1126 HydrophobicContact CD2-CB 4.43Å; L1114-K1126 HydrophobicContact CD2-CD 4.4Å; L1114-K1126 HydrophobicContact CD2-CG 3.44Å; L1114-K1126 VanDerWaalsContact CD2-CG 3.44Å; N1117-K1126 PolarHBondContact OD1-NZ 2.66Å; S1122-K1126 VanDerWaalsContact O-CB 3.3Å; S1122-K1126 WeakPolarHBondContact O-CB 3.5Å; S1122-K1126 WeakPolarHBondContact O-CG 3.4Å; S1122-K1126 PolarHBondContact O-N 3.43Å; V1123-K1126 PolarHBondContact O-N 3.32Å; K1126-S1128 PolarHBondContact O-N 3.47Å; K1126-S1128 VanDerWaalsContact O-N 3.17Å; K1126-C1130 CarbonylContact O-C 3.52Å; K1126-C1130 VanDerWaalsContact O-CA 3.29Å; K1126-C1130 WeakPolarHBondContact O-CA 3.46Å; K1126-C1130 VanDerWaalsContact O-CB 3.24Å; K1126-C1130 WeakPolarHBondContact O-CB 3.41Å; K1126-C1130 PolarHBondContact O-N 3.32Å
1127S79.5Confident66.7Low84 Ų8466.5 Ų66.559%0.58738%0.378SS*.Hα-helixtrans-63-24.3179.770.70000114.2V1123 Y1124 L1125V1123-S1127 PolarHBondContact O-N 3.47Å; V1123-S1127 PolarHBondContact O-OG 3.43Å; Y1124-S1127 PolarHBondContact O-N 2.89Å; Y1124-S1127 PolarHBondContact O-OG 3.32Å; L1125-S1127 PolarHBondContact O-N 3.1Å
1128S81.3Confident65.7Low19 Ų1969 Ų6913%0.13338%0.38CS..Hα-helixtrans-99-32.3-174.1-59.50000114.3K1057 Y1124 L1125 K1126K1057-S1128 WeakPolarHBondContact CE-O 3.48Å; K1057-S1128 PolarHBondContact NZ-O 3.16Å; K1057-S1128 VanDerWaalsContact NZ-O 3.15Å; Y1124-S1128 WeakPolarHBondContact O-CB 3.43Å; Y1124-S1128 PolarHBondContact O-N 3.23Å; Y1124-S1128 VanDerWaalsContact O-N 3.09Å; Y1124-S1128 PolarHBondContact O-OG 3.2Å; L1125-S1128 PolarHBondContact O-N 3.26Å; L1125-S1128 VanDerWaalsContact O-N 3.14Å; K1126-S1128 PolarHBondContact O-N 3.47Å; K1126-S1128 VanDerWaalsContact O-N 3.17Å
1129L82.8Confident64.9Low0 Ų063.6 Ų63.60%036%0.36CS..Hα-helixtrans-117.2-13.4-173.8-70.5171.5000113.6I1053 I1056 K1057 F1110 L1125 I1144 I1145I1053-L1129 HydrophobicContact CB-CD2 4.47Å; I1053-L1129 HydrophobicContact CG1-CD1 4.17Å; I1053-L1129 HydrophobicContact CG1-CG 4.33Å; I1053-L1129 HydrophobicContact CG2-CD2 3.79Å; I1053-L1129 HydrophobicContact CG2-CG 4.05Å; I1056-L1129 HydrophobicContact CG2-CD2 4.07Å; K1057-L1129 HydrophobicContact CG-CD2 4.32Å; F1110-L1129 HydrophobicContact CD2-CD1 3.63Å; F1110-L1129 HydrophobicContact CE2-CD1 4.05Å; L1125-L1129 HydrophobicContact CD2-CD1 4.23Å; L1125-L1129 WeakPolarHBondContact O-CB 3.31Å; L1125-L1129 PolarHBondContact O-N 3.17Å; L1129-I1144 HydrophobicContact CD2-CB 4.23Å; L1129-I1144 HydrophobicContact CD2-CG2 4.21Å; L1129-I1144 WeakPolarHBondContact O-CB 3.44Å; L1129-I1144 VanDerWaalsContact O-CG1 3.26Å; L1129-I1144 WeakPolarHBondContact O-CG1 3.27Å; L1129-I1144 PolarHBondContact O-N 2.98Å; L1129-I1145 HydrophobicContact CB-CD1 4.43Å; L1129-I1145 HydrophobicContact CB-CG1 4.35Å; L1129-I1145 HydrophobicContact CD1-CD1 3.82Å; L1129-I1145 HydrophobicContact CD1-CG1 3.81Å
1130C76.4Confident64Low11 Ų1166.8 Ų66.87%0.07438%0.377CS..BIsolated β-bridgetrans-116.590.2172.3-50.50000107.6K1126 N1132K1126-C1130 CarbonylContact O-C 3.52Å; K1126-C1130 VanDerWaalsContact O-CA 3.29Å; K1126-C1130 WeakPolarHBondContact O-CA 3.46Å; K1126-C1130 VanDerWaalsContact O-CB 3.24Å; K1126-C1130 WeakPolarHBondContact O-CB 3.41Å; K1126-C1130 PolarHBondContact O-N 3.32Å; C1130-N1132 PolarHBondContact O-N 3.35Å
1131C61.2Low63.2Low29 Ų2964 Ų6420%0.19636%0.363CS..  trans-75.9119-178-69.20000110.6
1132N51.7Low63Low96 Ų9664.6 Ų64.651%0.51337%0.37SS..  trans-100.713.3169.2-71.72.2000112.3C1130 T1134 F1183C1130-N1132 PolarHBondContact O-N 3.35Å; N1132-T1134 PolarHBondContact O-N 2.9Å; N1132-T1134 VanDerWaalsContact O-N 3.15Å; N1132-F1183 WeakPolarHBondContact ND2-CE1 3.21Å; N1132-F1183 WeakPolarHBondContact ND2-CZ 3.28Å; N1132-F1183 WeakPolarHBondContact OD1-CD2 3.4Å; N1132-F1183 WeakPolarHBondContact OD1-CE2 3.15Å; N1132-F1183 WeakPolarHBondContact OD1-CZ 3.43Å
1133S45.7Very low63.4Low39 Ų3964.6 Ų64.627%0.27337%0.37SS..  trans-75.3111.9-165.655.50000112.3L1135 Y1138S1133-L1135 PolarHBondContact O-N 3.01Å; S1133-Y1138 PolarHBondContact OG-O 3.47Å
1134T46Very low63.6Low138 Ų13860.7 Ų60.785%0.84735%0.346SS*.  trans-70.3-2.7160.554.80000112.9N1132 G1136N1132-T1134 PolarHBondContact O-N 2.9Å; N1132-T1134 VanDerWaalsContact O-N 3.15Å; T1134-G1136 PolarHBondContact O-N 3.06Å
1135L41.1Very low64.1Low147 Ų14757.6 Ų57.677%0.7733%0.334SS*.SBendtrans-87.378.4-176.1-76.6158.3000111.1S1133 E1137S1133-L1135 PolarHBondContact O-N 3.01Å; L1135-E1137 VanDerWaalsContact C-N 3.28Å; L1135-E1137 PolarHBondContact O-N 3.42Å
1136G41.1Very low64.4Low82 Ų8257.6 Ų57.685%0.84533%0.334SS*.THydrogen-bonded Turntrans57-33.3141.400000122.9T1134T1134-G1136 PolarHBondContact O-N 3.06Å
1137E46.4Very low64.7Low176 Ų17655.1 Ų55.182%0.82232%0.323SS*.THydrogen-bonded Turntrans-118.4-26.7-169.1-72-17416700114.4L1135L1135-E1137 VanDerWaalsContact C-N 3.28Å; L1135-E1137 PolarHBondContact O-N 3.42Å
1138Y41.7Very low65.1Low155 Ų15551.1 Ų51.161%0.60830%0.295SS*.SBendtrans-107.999.1167.4-77.6-81.9000108.9S1133S1133-Y1138 PolarHBondContact OG-O 3.47Å
1139V48.4Very low65.5Low72 Ų7250.2 Ų50.244%0.43629%0.289SS..  trans-44.5140.1169.7-179.20000109.3S1141V1139-S1141 PolarHBondContact O-N 2.92Å
1140N51.1Low65.8Low70 Ų7050.2 Ų50.237%0.37429%0.289SS..  trans-48.868-179.2-73.1-6.4000114.1G1142 N1184N1140-G1142 PolarHBondContact O-N 3.35Å; N1140-N1184 PolarHBondContact ND2-OD1 3.14Å
1141S57.9Low66.1Low13 Ų1351 Ų519%0.09129%0.29CS..  trans-72.8118.3166.256.20000105.4Y1060 V1139Y1060-S1141 WeakPolarHBondContact OH-CB 3.11Å; V1139-S1141 PolarHBondContact O-N 2.92Å
1142G72.7Confident67.4Low17 Ų1749.7 Ų49.718%0.17528%0.282CS..  trans-61.8-152.1175.600000111.8N1140 I1144 N1181N1140-G1142 PolarHBondContact O-N 3.35Å; G1142-I1144 PolarHBondContact O-N 3.31Å; G1142-N1181 WeakPolarHBondContact CA-OD1 3.42Å
1143N85Confident69.1Low0 Ų045.2 Ų45.20%026%0.258CS..BIsolated β-bridgetrans-56.6100172.6-178.46.8000112.2I1145 H1146 L1147 Q1177 L1180 N1181N1143-I1145 PolarHBondContact O-N 3.39Å; N1143-I1145 WeakPolarHBondContact OD1-CB 3.32Å; N1143-I1145 PolarHBondContact OD1-N 3.31Å; N1143-H1146 HydrophobicContact CB-CB 4.18Å; N1143-H1146 WeakPolarHBondContact O-CB 3.01Å; N1143-H1146 PolarHBondContact O-N 2.9Å; N1143-H1146 VanDerWaalsContact O-N 3.13Å; N1143-L1147 WeakPolarHBondContact O-CG 3.45Å; N1143-L1147 PolarHBondContact O-N 3.42Å; N1143-Q1177 PolarHBondContact ND2-O 2.77Å; N1143-Q1177 PolarHBondContact ND2-OE1 3.28Å; N1143-L1180 HydrophobicContact CB-CB 4.02Å; N1143-N1181 VanDerWaalsContact CB-OD1 3.3Å; N1143-N1181 WeakPolarHBondContact CB-OD1 3.42Å; N1143-N1181 PolarHBondContact N-OD1 3.13Å
1144I84.8Confident70.8Confident5 Ų543.8 Ų43.83%0.02625%0.247CC..Hα-helixtrans-60.8-31-176.5-61.8176.4000111.1I1056 K1057 Y1060 L1129 G1142 L1147 A1148I1056-I1144 HydrophobicContact CG2-CG2 3.96Å; K1057-I1144 HydrophobicContact CG-CD1 4.11Å; K1057-I1144 HydrophobicContact CG-CG2 4.49Å; Y1060-I1144 HydrophobicContact CD1-CG2 4.15Å; Y1060-I1144 HydrophobicContact CG-CG2 3.93Å; L1129-I1144 HydrophobicContact CD2-CB 4.23Å; L1129-I1144 HydrophobicContact CD2-CG2 4.21Å; L1129-I1144 WeakPolarHBondContact O-CB 3.44Å; L1129-I1144 VanDerWaalsContact O-CG1 3.26Å; L1129-I1144 WeakPolarHBondContact O-CG1 3.27Å; L1129-I1144 PolarHBondContact O-N 2.98Å; G1142-I1144 PolarHBondContact O-N 3.31Å; I1144-L1147 PolarHBondContact O-N 3.08Å; I1144-A1148 VanDerWaalsContact O-CB 3.3Å; I1144-A1148 WeakPolarHBondContact O-CB 3.32Å; I1144-A1148 PolarHBondContact O-N 2.95Å
1145I88.8Confident72.7Confident0 Ų038.6 Ų38.60%021%0.213CC..Hα-helixtrans-63.4-47.1178.4-64.1166.6000110.3L1107 F1110 L1114 L1129 N1143 L1147 A1148 A1149 V1171L1107-I1145 HydrophobicContact CD2-CB 4.38Å; L1107-I1145 HydrophobicContact CD2-CG2 3.87Å; F1110-I1145 HydrophobicContact CB-CD1 3.92Å; L1114-I1145 HydrophobicContact CD1-CD1 3.28Å; L1114-I1145 HydrophobicContact CG-CD1 4.28Å; L1129-I1145 HydrophobicContact CB-CD1 4.43Å; L1129-I1145 HydrophobicContact CB-CG1 4.35Å; L1129-I1145 HydrophobicContact CD1-CD1 3.82Å; L1129-I1145 HydrophobicContact CD1-CG1 3.81Å; N1143-I1145 PolarHBondContact O-N 3.39Å; N1143-I1145 WeakPolarHBondContact OD1-CB 3.32Å; N1143-I1145 PolarHBondContact OD1-N 3.31Å; I1145-L1147 VanDerWaalsContact C-N 3.31Å; I1145-L1147 PolarHBondContact O-N 2.87Å; I1145-A1148 PolarHBondContact O-N 2.99Å; I1145-A1149 VanDerWaalsContact O-CB 3.32Å; I1145-A1149 WeakPolarHBondContact O-CB 3.3Å; I1145-A1149 PolarHBondContact O-N 3.26Å; I1145-V1171 HydrophobicContact CG2-CG1 3.86Å
1146H88.8Confident74.9Confident0 Ų031.6 Ų31.60%018%0.176CC..Hα-helixtrans-60.9-42.2176.1177.576.6000111.2N1143 A1149 L1150 V1171 I1172 Y1320N1143-H1146 HydrophobicContact CB-CB 4.18Å; N1143-H1146 WeakPolarHBondContact O-CB 3.01Å; N1143-H1146 PolarHBondContact O-N 2.9Å; N1143-H1146 VanDerWaalsContact O-N 3.13Å; H1146-A1149 WeakPolarHBondContact O-CB 3.01Å; H1146-A1149 PolarHBondContact O-N 2.75Å; H1146-L1150 WeakPolarHBondContact O-CG 3.29Å; H1146-L1150 PolarHBondContact O-N 2.94Å; H1146-V1171 PolarHBondContact ND1-O 3.46Å; H1146-I1172 PolarHBondContact CE1-O 2.78Å; H1146-I1172 PolarHBondContact ND1-O 3.44Å; H1146-Y1320 AromaticContact NE2-CE1 3.62Å; H1146-Y1320 AromaticContact NE2-CZ 3.87Å; H1146-Y1320 PolarHBondContact NE2-OH 3.38Å; H1146-Y1320 VanDerWaalsContact NE2-OH 3.16Å
1147L85.9Confident77Confident4 Ų427.8 Ų27.82%0.02114%0.136CC..Hα-helixtrans-69.2-39.5-179.9-57.4-178.4000112.9Y1060 N1143 I1144 I1145 L1150 R1151 I1324 F1336Y1060-L1147 HydrophobicContact CD2-CB 3.63Å; Y1060-L1147 HydrophobicContact CD2-CD1 3.88Å; Y1060-L1147 HydrophobicContact CD2-CG 4.4Å; Y1060-L1147 HydrophobicContact CE2-CB 4.03Å; Y1060-L1147 HydrophobicContact CE2-CD1 3.41Å; Y1060-L1147 VanDerWaalsContact CE2-CD1 3.41Å; Y1060-L1147 HydrophobicContact CE2-CG 4.34Å; N1143-L1147 WeakPolarHBondContact O-CG 3.45Å; N1143-L1147 PolarHBondContact O-N 3.42Å; I1144-L1147 PolarHBondContact O-N 3.08Å; I1145-L1147 VanDerWaalsContact C-N 3.31Å; I1145-L1147 PolarHBondContact O-N 2.87Å; L1147-L1150 HydrophobicContact CD2-CD1 4.31Å; L1147-R1151 WeakPolarHBondContact O-CG 3.12Å; L1147-R1151 PolarHBondContact O-N 2.9Å; L1147-I1324 HydrophobicContact CD2-CD1 4.1Å; L1147-I1324 HydrophobicContact CD2-CG2 3.37Å; L1147-F1336 HydrophobicContact CB-CE1 4.34Å; L1147-F1336 HydrophobicContact CB-CZ 4.48Å; L1147-F1336 HydrophobicContact CD2-CE1 4.21Å; L1147-F1336 HydrophobicContact CD2-CZ 3.95Å
1148A87.7Confident78.5Confident0 Ų022.7 Ų22.70%011%0.111CC..Hα-helixtrans-65.9-38.9173.400000111.3I1056 V1059 L1107 I1144 I1145 R1151 I1152I1056-A1148 HydrophobicContact CG2-CB 3.94Å; V1059-A1148 HydrophobicContact CG1-CB 4.3Å; L1107-A1148 HydrophobicContact CD1-CB 4.36Å; L1107-A1148 HydrophobicContact CD2-CB 3.94Å; I1144-A1148 VanDerWaalsContact O-CB 3.3Å; I1144-A1148 WeakPolarHBondContact O-CB 3.32Å; I1144-A1148 PolarHBondContact O-N 2.95Å; I1145-A1148 PolarHBondContact O-N 2.99Å; A1148-R1151 PolarHBondContact O-N 3.08Å; A1148-I1152 PolarHBondContact O-N 3Å
1149A91.3Very high80Confident0 Ų017 Ų170%010%0.1CC..Hα-helixtrans-61.7-43.9175.800000112.6L1107 I1145 H1146 R1151 I1152 L1153 L1167 V1171 I1172L1107-A1149 HydrophobicContact CD1-CB 4.29Å; I1145-A1149 VanDerWaalsContact O-CB 3.32Å; I1145-A1149 WeakPolarHBondContact O-CB 3.3Å; I1145-A1149 PolarHBondContact O-N 3.26Å; H1146-A1149 WeakPolarHBondContact O-CB 3.01Å; H1146-A1149 PolarHBondContact O-N 2.75Å; A1149-R1151 PolarHBondContact O-N 2.86Å; A1149-I1152 PolarHBondContact O-N 3.18Å; A1149-L1153 WeakPolarHBondContact O-CB 3.48Å; A1149-L1153 PolarHBondContact O-N 2.93Å; A1149-L1153 VanDerWaalsContact O-N 3.16Å; A1149-L1167 HydrophobicContact CB-CD1 3.73Å; A1149-L1167 HydrophobicContact CB-CG 4.28Å; A1149-V1171 HydrophobicContact CB-CB 4.24Å; A1149-V1171 HydrophobicContact CB-CG1 3.59Å; A1149-I1172 HydrophobicContact CB-CD1 4.48Å; A1149-I1172 HydrophobicContact CB-CG1 3.91Å
1150L87.9Confident81.8Confident0 Ų013.7 Ų13.70%08%0.079CC..Hα-helixtrans-58.7-35.5174.7-71.6169.4000112.4H1146 L1147 I1172 W1279 W1317 L1321 F1338H1146-L1150 WeakPolarHBondContact O-CG 3.29Å; H1146-L1150 PolarHBondContact O-N 2.94Å; L1147-L1150 HydrophobicContact CD2-CD1 4.31Å; L1150-I1172 HydrophobicContact CD2-CG2 3.78Å; L1150-W1279 HydrophobicContact CD2-CH2 3.66Å; L1150-W1279 HydrophobicContact CD2-CZ2 3.87Å; L1150-W1317 HydrophobicContact CD2-CZ2 4.07Å; L1150-L1321 HydrophobicContact CD1-CD2 3.61Å; L1150-L1321 HydrophobicContact CD2-CD2 3.97Å; L1150-L1321 HydrophobicContact CG-CD2 4.44Å; L1150-F1338 HydrophobicContact CB-CE1 4.42Å; L1150-F1338 HydrophobicContact CB-CZ 4.15Å
1151R82.4Confident83.4Confident27 Ų2713.7 Ų13.710%0.1028%0.077CC..Hα-helixtrans-78.8-39.1179.9-71.4-176.9179.2-156.14113.6V1059 Y1060 L1147 A1148 A1149 L1153 P1154 Y1155 F1336 F1338V1059-R1151 WeakPolarHBondContact O-CD 3.41Å; V1059-R1151 PolarHBondContact O-NH1 3.2Å; Y1060-R1151 VanDerWaalsContact C-NH1 3.27Å; Y1060-R1151 PolarHBondContact O-NH1 3.14Å; Y1060-R1151 PolarHBondContact O-NH2 2.6Å; L1147-R1151 WeakPolarHBondContact O-CG 3.12Å; L1147-R1151 PolarHBondContact O-N 2.9Å; A1148-R1151 PolarHBondContact O-N 3.08Å; A1149-R1151 PolarHBondContact O-N 2.86Å; R1151-L1153 VanDerWaalsContact C-N 3.34Å; R1151-P1154 WeakPolarHBondContact O-CD 3.42Å; R1151-Y1155 WeakPolarHBondContact O-CD2 3.48Å; R1151-Y1155 WeakPolarHBondContact O-CE2 3.43Å; R1151-F1336 HydrophobicContact CG-CD1 4Å; R1151-F1336 HydrophobicContact CG-CE1 4.35Å; R1151-F1338 HydrophobicContact CG-CE1 4.41Å
1152I88.3Confident84.6Confident3 Ų318.2 Ų18.22%0.01510%0.097CC..Hα-helixtrans-75.2-26.7-177.7-157.864.1000112.2L897 I1103 L1107 A1148 A1149 Y1155 L1156 L1167L897-I1152 HydrophobicContact CD1-CD1 3.79Å; I1103-I1152 HydrophobicContact CD1-CD1 4.24Å; I1103-I1152 HydrophobicContact CG2-CD1 4.34Å; I1103-I1152 HydrophobicContact CG2-CG1 4.17Å; L1107-I1152 HydrophobicContact CD1-CG2 3.95Å; A1148-I1152 PolarHBondContact O-N 3Å; A1149-I1152 PolarHBondContact O-N 3.18Å; I1152-Y1155 WeakPolarHBondContact O-CB 3.43Å; I1152-Y1155 PolarHBondContact O-N 3.28Å; I1152-L1156 PolarHBondContact O-N 3.23Å; I1152-L1167 HydrophobicContact CG2-CD2 3.64Å
1153L88.1Confident85.4Confident1 Ų118.2 Ų18.21%0.0059%0.093CC..G310 helixtrans-47.4-51.1-176.3-173.471.8000114.7A1149 R1151 Y1155 L1156 L1167 I1168 I1172 L1207 I1275 W1279A1149-L1153 WeakPolarHBondContact O-CB 3.48Å; A1149-L1153 PolarHBondContact O-N 2.93Å; A1149-L1153 VanDerWaalsContact O-N 3.16Å; R1151-L1153 VanDerWaalsContact C-N 3.34Å; L1153-Y1155 PolarHBondContact O-N 2.99Å; L1153-L1156 HydrophobicContact CD1-CD1 4.23Å; L1153-L1156 PolarHBondContact O-N 3.46Å; L1153-L1167 HydrophobicContact CD1-CD2 4.08Å; L1153-I1168 HydrophobicContact CD1-CD1 4.2Å; L1153-I1168 HydrophobicContact CD1-CG1 3.82Å; L1153-I1172 HydrophobicContact CB-CD1 4.16Å; L1153-I1172 HydrophobicContact CD1-CD1 3.91Å; L1153-I1172 HydrophobicContact CD2-CD1 3.74Å; L1153-I1172 HydrophobicContact CG-CD1 4.15Å; L1153-L1207 HydrophobicContact CD2-CD1 4.46Å; L1153-I1275 HydrophobicContact CD1-CD1 3.34Å; L1153-I1275 HydrophobicContact CD2-CD1 3.99Å; L1153-I1275 HydrophobicContact CG-CD1 3.44Å; L1153-I1275 VanDerWaalsContact CG-CD1 3.44Å; L1153-I1275 HydrophobicContact CG-CG2 4.5Å; L1153-W1279 HydrophobicContact CD2-CD2 3.85Å; L1153-W1279 HydrophobicContact CD2-CE3 4.1Å; L1153-W1279 HydrophobicContact CD2-CG 4.39Å; L1153-W1279 HydrophobicContact CD2-CH2 4.17Å; L1153-W1279 HydrophobicContact CD2-CZ2 3.95Å; L1153-W1279 HydrophobicContact CD2-CZ3 4.25Å
1154P82.7Confident85.7Confident9 Ų918.7 Ų18.76%0.05810%0.095CC..G310 helixtrans-71-12.2178.127.3-36.4000114.7R1151 R1273R1151-P1154 WeakPolarHBondContact O-CD 3.42Å; P1154-R1273 WeakPolarHBondContact O-CD 3.29Å
1155Y84.5Confident85.9Confident30 Ų3020 Ų2012%0.11810%0.103CC..G310 helixtrans-87.8-11.9177.4-66.4-77.1000113.3F1065 I1096 R1151 I1152 L1153 R1157F1065-Y1155 HydrophobicContact CB-CE1 4.03Å; F1065-Y1155 WeakPolarHBondContact CB-OH 3.5Å; F1065-Y1155 AromaticContact CD1-CE1 3.66Å; F1065-Y1155 HydrophobicContact CD1-CE1 3.66Å; F1065-Y1155 HydrophobicContact CD2-CE1 4.22Å; F1065-Y1155 HydrophobicContact CE1-CE1 4.33Å; F1065-Y1155 AromaticContact CG-CE1 3.62Å; F1065-Y1155 HydrophobicContact CG-CE1 3.62Å; I1096-Y1155 HydrophobicContact CG2-CD1 4.22Å; R1151-Y1155 WeakPolarHBondContact O-CD2 3.48Å; R1151-Y1155 WeakPolarHBondContact O-CE2 3.43Å; I1152-Y1155 WeakPolarHBondContact O-CB 3.43Å; I1152-Y1155 PolarHBondContact O-N 3.28Å; L1153-Y1155 PolarHBondContact O-N 2.99Å; Y1155-R1157 WeakPolarHBondContact O-CG 3.46Å; Y1155-R1157 PolarHBondContact O-N 3.14Å; Y1155-R1157 PolarHBondContact O-NE 2.71Å
1156L87.3Confident86.1Confident0 Ų023.5 Ų23.50%012%0.116CC..PPolyproline II helixtrans-59.4126.7176.3-66178.8000110.5T1104 I1152 L1153 Q1160 R1164 L1167 L1274T1104-L1156 WeakPolarHBondContact OG1-CD2 3.23Å; I1152-L1156 PolarHBondContact O-N 3.23Å; L1153-L1156 HydrophobicContact CD1-CD1 4.23Å; L1153-L1156 PolarHBondContact O-N 3.46Å; L1156-Q1160 HydrophobicContact CD2-CB 4.46Å; L1156-R1164 HydrophobicContact CD1-CB 3.75Å; L1156-R1164 HydrophobicContact CD1-CG 4.2Å; L1156-L1167 HydrophobicContact CD1-CD2 4.19Å; L1156-L1274 HydrophobicContact CB-CD1 4.28Å; L1156-L1274 PolarHBondContact O-N 2.98Å
1157R85.2Confident86.4Confident2 Ų223.5 Ų23.51%0.00812%0.116CC..BIsolated β-bridgetrans-101.5165.5-178.3-58.2-54.3-177.2154.5-3.6110.6E1091 H1093 Y1155 G1159 Q1160 V1270 C1271 L1274E1091-R1157 IonicContact OE2-CZ 3.21Å; E1091-R1157 IonicContact OE2-NH1 3.92Å; E1091-R1157 IonicContact OE2-NH2 2.72Å; E1091-R1157 PolarHBondContact OE2-NH2 3.42Å; H1093-R1157 PolarHBondContact ND1-NH1 2.63Å; Y1155-R1157 WeakPolarHBondContact O-CG 3.46Å; Y1155-R1157 PolarHBondContact O-N 3.14Å; Y1155-R1157 PolarHBondContact O-NE 2.71Å; R1157-G1159 PolarHBondContact O-N 3.5Å; R1157-Q1160 WeakPolarHBondContact O-CB 3.21Å; R1157-Q1160 PolarHBondContact O-N 3.34Å; R1157-Q1160 PolarHBondContact O-OE1 2.98Å; R1157-V1270 HydrophobicContact CB-CG1 4.34Å; R1157-V1270 VanDerWaalsContact CD-O 3.3Å; R1157-V1270 WeakPolarHBondContact CD-O 3.12Å; R1157-V1270 HydrophobicContact CG-CG1 4.38Å; R1157-V1270 WeakPolarHBondContact CG-O 3.45Å; R1157-C1271 PolarHBondContact NH1-O 3.41Å; R1157-L1274 WeakPolarHBondContact O-CD1 3.24Å; R1157-L1274 WeakPolarHBondContact O-CG 3.17Å
1158K77.8Confident86.6Confident69 Ų6923.3 Ų23.330%0.312%0.115SC..THydrogen-bonded Turntrans-56.6139.9176.9-166.6179.9175.3-146.80111.9E1161 R1268 D1272 L1274K1158-E1161 WeakPolarHBondContact CG-OE1 3.29Å; K1158-R1268 HydrophobicContact CD-CB 3.34Å; K1158-R1268 HydrophobicContact CD-CG 4.4Å; K1158-D1272 PolarHBondContact N-O 3.23Å; K1158-D1272 VanDerWaalsContact N-O 3.15Å; K1158-L1274 HydrophobicContact CB-CD2 4.46Å
1159G74.2Confident86.8Confident36 Ų3625 Ų2537%0.37112%0.124SC..THydrogen-bonded Turntrans102.3-11.4-17100000113.4R1157 E1161R1157-G1159 PolarHBondContact O-N 3.5Å; G1159-E1161 WeakPolarHBondContact CA-OE2 3.4Å; G1159-E1161 PolarHBondContact N-OE1 2.82Å; G1159-E1161 PolarHBondContact N-OE2 3.28Å; G1159-E1161 VanDerWaalsContact N-OE2 3.13Å
1160Q85.1Confident86.8Confident1 Ų127.5 Ų27.51%0.00514%0.136CC..  trans-109.425.8-177.5-56.6175.9-38.200112.2S1097 S1100 E1101 L1156 R1157 E1162 L1163 R1164 L1274S1097-Q1160 PolarHBondContact O-NE2 2.94Å; S1100-Q1160 PolarHBondContact OG-OE1 3.13Å; E1101-Q1160 PolarHBondContact OE2-NE2 2.91Å; L1156-Q1160 HydrophobicContact CD2-CB 4.46Å; R1157-Q1160 WeakPolarHBondContact O-CB 3.21Å; R1157-Q1160 PolarHBondContact O-N 3.34Å; R1157-Q1160 PolarHBondContact O-OE1 2.98Å; Q1160-E1162 VanDerWaalsContact C-N 3.3Å; Q1160-E1162 PolarHBondContact O-N 3.3Å; Q1160-L1163 HydrophobicContact CB-CB 4.35Å; Q1160-L1163 HydrophobicContact CB-CD1 4.37Å; Q1160-L1163 HydrophobicContact CG-CD1 4.43Å; Q1160-L1163 PolarHBondContact O-N 2.99Å; Q1160-R1164 WeakPolarHBondContact O-CB 3.2Å; Q1160-R1164 PolarHBondContact O-N 3.46Å; Q1160-L1274 HydrophobicContact CB-CD1 4.05Å
1161E84.4Confident87Confident70 Ų7027.5 Ų27.533%0.32714%0.136SC..Hα-helixtrans-62.6-37.2-175.8-65.682.1176.900112.3K1158 G1159 T1165 L1274K1158-E1161 WeakPolarHBondContact CG-OE1 3.29Å; G1159-E1161 WeakPolarHBondContact CA-OE2 3.4Å; G1159-E1161 PolarHBondContact N-OE1 2.82Å; G1159-E1161 PolarHBondContact N-OE2 3.28Å; G1159-E1161 VanDerWaalsContact N-OE2 3.13Å; E1161-T1165 WeakPolarHBondContact O-CB 3.46Å; E1161-T1165 PolarHBondContact O-N 3.37Å; E1161-T1165 PolarHBondContact O-OG1 3.29Å; E1161-L1274 HydrophobicContact CG-CD1 4.28Å; E1161-L1274 HydrophobicContact CG-CD2 3.82Å
1162E84.9Confident87.4Confident108 Ų10826.2 Ų26.251%0.50513%0.131SC..Hα-helixtrans-64-48.7174.2-173.2-179.2165.200110.5K490 Q1160 R1164 T1165 R1166K490-E1162 IonicContact NZ-OE1 3.73Å; K490-E1162 IonicContact NZ-OE2 3.07Å; K490-E1162 PolarHBondContact NZ-OE2 2.93Å; Q1160-E1162 VanDerWaalsContact C-N 3.3Å; Q1160-E1162 PolarHBondContact O-N 3.3Å; E1162-R1164 PolarHBondContact O-N 3.35Å; E1162-T1165 WeakPolarHBondContact O-CB 2.91Å; E1162-T1165 PolarHBondContact O-N 3.33Å; E1162-R1166 WeakPolarHBondContact O-CG 3.09Å; E1162-R1166 PolarHBondContact O-N 3.04Å
1163L88.3Confident87.6Confident18 Ų1826.1 Ų26.19%0.09413%0.13CC..Hα-helixtrans-63.8-42.1179.1-67.2177000112.2E1101 T1104 R1105 L1108 Q1160 T1165 R1166 L1167E1101-L1163 HydrophobicContact CG-CD1 3.54Å; T1104-L1163 HydrophobicContact CG2-CB 3.96Å; R1105-L1163 HydrophobicContact CG-CD1 4.42Å; R1105-L1163 HydrophobicContact CG-CD2 3.97Å; L1108-L1163 HydrophobicContact CD1-CD2 3.96Å; Q1160-L1163 HydrophobicContact CB-CB 4.35Å; Q1160-L1163 HydrophobicContact CB-CD1 4.37Å; Q1160-L1163 HydrophobicContact CG-CD1 4.43Å; Q1160-L1163 PolarHBondContact O-N 2.99Å; L1163-T1165 VanDerWaalsContact C-N 3.31Å; L1163-T1165 PolarHBondContact O-N 3.25Å; L1163-R1166 PolarHBondContact O-N 3.26Å; L1163-L1167 WeakPolarHBondContact O-CB 3.15Å; L1163-L1167 PolarHBondContact O-N 3.41Å
1164R90.6Very high87.7Confident10 Ų1026.9 Ų26.94%0.03813%0.134CC..Hα-helixtrans-54-50.4171.7178.4-16766.4177.5-0.1110.8L1156 Q1160 E1162 L1167 I1168 L1207 T1211 L1274 I1275L1156-R1164 HydrophobicContact CD1-CB 3.75Å; L1156-R1164 HydrophobicContact CD1-CG 4.2Å; Q1160-R1164 WeakPolarHBondContact O-CB 3.2Å; Q1160-R1164 PolarHBondContact O-N 3.46Å; E1162-R1164 PolarHBondContact O-N 3.35Å; R1164-L1167 PolarHBondContact O-N 3.36Å; R1164-I1168 HydrophobicContact CG-CD1 3.92Å; R1164-I1168 WeakPolarHBondContact O-CB 3.45Å; R1164-I1168 VanDerWaalsContact O-CG1 3.23Å; R1164-I1168 WeakPolarHBondContact O-CG1 3.36Å; R1164-I1168 PolarHBondContact O-N 3.21Å; R1164-L1207 PolarHBondContact NH1-O 3.19Å; R1164-T1211 PolarHBondContact NH1-OG1 3.3Å; R1164-L1274 HydrophobicContact CB-CD1 4.16Å; R1164-I1275 HydrophobicContact CG-CD1 3.56Å; R1164-I1275 HydrophobicContact CG-CG1 4.28Å
1165T89.8Confident88Confident31 Ų3130.3 Ų30.319%0.1915%0.152CC..Hα-helixtrans-62.7-47.2-177.6-57.30000110.7E1161 E1162 L1163 I1168 L1169 Y1204E1161-T1165 WeakPolarHBondContact O-CB 3.46Å; E1161-T1165 PolarHBondContact O-N 3.37Å; E1161-T1165 PolarHBondContact O-OG1 3.29Å; E1162-T1165 WeakPolarHBondContact O-CB 2.91Å; E1162-T1165 PolarHBondContact O-N 3.33Å; L1163-T1165 VanDerWaalsContact C-N 3.31Å; L1163-T1165 PolarHBondContact O-N 3.25Å; T1165-I1168 PolarHBondContact O-N 3.18Å; T1165-L1169 HydrophobicContact CG2-CD1 3.77Å; T1165-L1169 HydrophobicContact CG2-CG 4.5Å; T1165-L1169 WeakPolarHBondContact O-CB 3.36Å; T1165-L1169 VanDerWaalsContact O-CG 3.23Å; T1165-L1169 WeakPolarHBondContact O-CG 3.46Å; T1165-L1169 PolarHBondContact O-N 3.01Å; T1165-Y1204 HydrophobicContact CG2-CE2 4.04Å
1166R92.8Very high88.1Confident75 Ų7534.3 Ų34.328%0.28317%0.167SC..Hα-helixtrans-63.7-43.7176.8-68.1-176.165.4-156.7-11.7112.2L1108 E1162 L1163 I1168 L1169 E1170L1108-R1166 HydrophobicContact CD1-CB 3.94Å; L1108-R1166 HydrophobicContact CD2-CB 3.89Å; E1162-R1166 WeakPolarHBondContact O-CG 3.09Å; E1162-R1166 PolarHBondContact O-N 3.04Å; L1163-R1166 PolarHBondContact O-N 3.26Å; R1166-I1168 VanDerWaalsContact C-N 3.33Å; R1166-I1168 PolarHBondContact O-N 2.93Å; R1166-L1169 PolarHBondContact O-N 2.98Å; R1166-E1170 WeakPolarHBondContact CG-OE1 3.27Å; R1166-E1170 IonicContact CZ-OE1 3.67Å; R1166-E1170 IonicContact CZ-OE2 3.27Å; R1166-E1170 IonicContact NE-OE1 3.61Å; R1166-E1170 PolarHBondContact NE-OE1 3.5Å; R1166-E1170 IonicContact NE-OE2 3.18Å; R1166-E1170 IonicContact NH2-OE1 2.8Å; R1166-E1170 PolarHBondContact NH2-OE1 2.98Å; R1166-E1170 IonicContact NH2-OE2 2.83Å; R1166-E1170 PolarHBondContact NH2-OE2 3.46Å; R1166-E1170 VanDerWaalsContact NH2-OE2 3.16Å; R1166-E1170 WeakPolarHBondContact O-CA 3.28Å; R1166-E1170 WeakPolarHBondContact O-CB 3.29Å; R1166-E1170 PolarHBondContact O-N 3Å
1167L94.4Very high88Confident0 Ų034.4 Ų34.40%017%0.167CC..Hα-helixtrans-60.7-43.2178.5-173.568.3000111.6T1104 L1107 A1149 I1152 L1153 L1156 L1163 R1164 V1171 I1172T1104-L1167 HydrophobicContact CG2-CB 4.1Å; T1104-L1167 HydrophobicContact CG2-CD1 4.18Å; T1104-L1167 HydrophobicContact CG2-CD2 4.12Å; T1104-L1167 HydrophobicContact CG2-CG 4.36Å; L1107-L1167 HydrophobicContact CB-CD1 4.4Å; L1107-L1167 HydrophobicContact CD1-CD1 4.39Å; A1149-L1167 HydrophobicContact CB-CD1 3.73Å; A1149-L1167 HydrophobicContact CB-CG 4.28Å; I1152-L1167 HydrophobicContact CG2-CD2 3.64Å; L1153-L1167 HydrophobicContact CD1-CD2 4.08Å; L1156-L1167 HydrophobicContact CD1-CD2 4.19Å; L1163-L1167 WeakPolarHBondContact O-CB 3.15Å; L1163-L1167 PolarHBondContact O-N 3.41Å; R1164-L1167 PolarHBondContact O-N 3.36Å; L1167-V1171 HydrophobicContact CD1-CB 4.04Å; L1167-V1171 HydrophobicContact CD1-CG2 3.95Å; L1167-V1171 WeakPolarHBondContact O-CB 3.22Å; L1167-V1171 PolarHBondContact O-N 3.01Å; L1167-V1171 VanDerWaalsContact O-N 3.14Å; L1167-I1172 HydrophobicContact CG-CD1 4.31Å; L1167-I1172 PolarHBondContact O-N 3.26Å
1168I91.6Very high88.1Confident0 Ų034.3 Ų34.30%017%0.167CC..Iπ-helixtrans-61.6-47.4176.4-72.6173.3000110.8L1153 R1164 T1165 R1166 F1173 L1207 V1208 I1275L1153-I1168 HydrophobicContact CD1-CD1 4.2Å; L1153-I1168 HydrophobicContact CD1-CG1 3.82Å; R1164-I1168 HydrophobicContact CG-CD1 3.92Å; R1164-I1168 WeakPolarHBondContact O-CB 3.45Å; R1164-I1168 VanDerWaalsContact O-CG1 3.23Å; R1164-I1168 WeakPolarHBondContact O-CG1 3.36Å; R1164-I1168 PolarHBondContact O-N 3.21Å; T1165-I1168 PolarHBondContact O-N 3.18Å; R1166-I1168 VanDerWaalsContact C-N 3.33Å; R1166-I1168 PolarHBondContact O-N 2.93Å; I1168-F1173 HydrophobicContact CG2-CD2 3.65Å; I1168-F1173 HydrophobicContact CG2-CE2 3.98Å; I1168-F1173 PolarHBondContact O-N 3.48Å; I1168-L1207 HydrophobicContact CD1-CB 4.04Å; I1168-L1207 HydrophobicContact CD1-CD1 4.09Å; I1168-V1208 HydrophobicContact CD1-CG2 3.94Å; I1168-I1275 HydrophobicContact CD1-CD1 4.25Å
1169L91.3Very high88.4Confident36 Ų3635.3 Ų35.319%0.18817%0.173CC..Iπ-helixtrans-84.7-38.3-171.6-60.8174.8000114T1165 R1166 R1200 Y1204T1165-L1169 HydrophobicContact CG2-CD1 3.77Å; T1165-L1169 HydrophobicContact CG2-CG 4.5Å; T1165-L1169 WeakPolarHBondContact O-CB 3.36Å; T1165-L1169 VanDerWaalsContact O-CG 3.23Å; T1165-L1169 WeakPolarHBondContact O-CG 3.46Å; T1165-L1169 PolarHBondContact O-N 3.01Å; R1166-L1169 PolarHBondContact O-N 2.98Å; L1169-R1200 HydrophobicContact CD2-CG 4.26Å; L1169-R1200 VanDerWaalsContact CD2-NE 3.3Å; L1169-R1200 PolarHBondContact O-NH1 2.82Å; L1169-Y1204 HydrophobicContact CD1-CD2 4.48Å; L1169-Y1204 HydrophobicContact CD1-CE2 4.11Å; L1169-Y1204 HydrophobicContact CD2-CD2 3.78Å; L1169-Y1204 HydrophobicContact CD2-CE2 4.22Å; L1169-Y1204 HydrophobicContact CD2-CG 4.45Å; L1169-Y1204 HydrophobicContact CG-CD2 4.39Å; L1169-Y1204 HydrophobicContact CG-CE2 4.49Å
1170E91Very high88.6Confident52 Ų5235.2 Ų35.224%0.24316%0.164CC..Iπ-helixtrans-92.9-19.4-174.1-62.1176.4-142.700112.7L1108 S1111 Q1112 R1166 N1174L1108-E1170 HydrophobicContact CD2-CB 4.02Å; S1111-E1170 PolarHBondContact OG-O 3.35Å; S1111-E1170 VanDerWaalsContact OG-O 3.04Å; Q1112-E1170 PolarHBondContact NE2-OE2 2.76Å; R1166-E1170 WeakPolarHBondContact CG-OE1 3.27Å; R1166-E1170 IonicContact CZ-OE1 3.67Å; R1166-E1170 IonicContact CZ-OE2 3.27Å; R1166-E1170 IonicContact NE-OE1 3.61Å; R1166-E1170 PolarHBondContact NE-OE1 3.5Å; R1166-E1170 IonicContact NE-OE2 3.18Å; R1166-E1170 IonicContact NH2-OE1 2.8Å; R1166-E1170 PolarHBondContact NH2-OE1 2.98Å; R1166-E1170 IonicContact NH2-OE2 2.83Å; R1166-E1170 PolarHBondContact NH2-OE2 3.46Å; R1166-E1170 VanDerWaalsContact NH2-OE2 3.16Å; R1166-E1170 WeakPolarHBondContact O-CA 3.28Å; R1166-E1170 WeakPolarHBondContact O-CB 3.29Å; R1166-E1170 PolarHBondContact O-N 3Å; E1170-N1174 WeakPolarHBondContact O-CB 3.24Å; E1170-N1174 PolarHBondContact O-ND2 2.72Å
1171V92Very high88.3Confident0 Ų035.4 Ų35.40%017%0.165CC..Iπ-helixtrans-125.4-54.9-175.7-168.40000113.3L1108 I1145 H1146 A1149 L1167 Q1177L1108-V1171 HydrophobicContact CD2-CG2 3.93Å; I1145-V1171 HydrophobicContact CG2-CG1 3.86Å; H1146-V1171 PolarHBondContact ND1-O 3.46Å; A1149-V1171 HydrophobicContact CB-CB 4.24Å; A1149-V1171 HydrophobicContact CB-CG1 3.59Å; L1167-V1171 HydrophobicContact CD1-CB 4.04Å; L1167-V1171 HydrophobicContact CD1-CG2 3.95Å; L1167-V1171 WeakPolarHBondContact O-CB 3.22Å; L1167-V1171 PolarHBondContact O-N 3.01Å; L1167-V1171 VanDerWaalsContact O-N 3.14Å; V1171-Q1177 WeakPolarHBondContact O-CB 3.41Å
1172I91.4Very high87.5Confident0 Ų035 Ų350%017%0.17CC..Iπ-helixtrans-72.5-55.6-172.7-61.9177.7000110.7H1146 A1149 L1150 L1153 L1167 N1174 W1317H1146-I1172 PolarHBondContact CE1-O 2.78Å; H1146-I1172 PolarHBondContact ND1-O 3.44Å; A1149-I1172 HydrophobicContact CB-CD1 4.48Å; A1149-I1172 HydrophobicContact CB-CG1 3.91Å; L1150-I1172 HydrophobicContact CD2-CG2 3.78Å; L1153-I1172 HydrophobicContact CB-CD1 4.16Å; L1153-I1172 HydrophobicContact CD1-CD1 3.91Å; L1153-I1172 HydrophobicContact CD2-CD1 3.74Å; L1153-I1172 HydrophobicContact CG-CD1 4.15Å; L1167-I1172 HydrophobicContact CG-CD1 4.31Å; L1167-I1172 PolarHBondContact O-N 3.26Å; I1172-N1174 PolarHBondContact O-N 2.9Å; I1172-W1317 HydrophobicContact CG2-CH2 4.33Å; I1172-W1317 HydrophobicContact CG2-CZ2 3.93Å
1173F92.4Very high86.5Confident0 Ų035.1 Ų35.10%017%0.169CC..THydrogen-bonded Turntrans-102.545.6179.3-58.7-70.1000111.9I1168 L1196 I1199 R1200 Y1203 W1317I1168-F1173 HydrophobicContact CG2-CD2 3.65Å; I1168-F1173 HydrophobicContact CG2-CE2 3.98Å; I1168-F1173 PolarHBondContact O-N 3.48Å; F1173-L1196 HydrophobicContact CD1-CD1 4.18Å; F1173-I1199 HydrophobicContact CD1-CG2 4.05Å; F1173-I1199 HydrophobicContact CE1-CG2 3.64Å; F1173-R1200 HydrophobicContact CB-CB 3.83Å; F1173-R1200 HydrophobicContact CB-CG 3.82Å; F1173-R1200 HydrophobicContact CG-CB 4.23Å; F1173-R1200 HydrophobicContact CG-CG 4.42Å; F1173-Y1203 HydrophobicContact CE1-CD2 4.1Å; F1173-Y1203 HydrophobicContact CE1-CG 4.45Å; F1173-Y1203 HydrophobicContact CE2-CG 4.15Å; F1173-Y1203 VanDerWaalsContact CZ-CB 3.49Å; F1173-Y1203 HydrophobicContact CZ-CD1 4.38Å; F1173-Y1203 AromaticContact CZ-CD2 3.67Å; F1173-Y1203 HydrophobicContact CZ-CD2 3.67Å; F1173-Y1203 AromaticContact CZ-CG 3.59Å; F1173-Y1203 HydrophobicContact CZ-CG 3.59Å; F1173-W1317 HydrophobicContact CD1-CH2 4.04Å; F1173-W1317 HydrophobicContact CD1-CZ2 4.2Å; F1173-W1317 HydrophobicContact CD1-CZ3 4.26Å; F1173-W1317 AromaticContact CE1-CD2 3.82Å; F1173-W1317 HydrophobicContact CE1-CD2 3.82Å; F1173-W1317 AromaticContact CE1-CE2 3.52Å; F1173-W1317 HydrophobicContact CE1-CE3 4.07Å; F1173-W1317 HydrophobicContact CE1-CG 4.5Å; F1173-W1317 AromaticContact CE1-CH2 3.78Å; F1173-W1317 HydrophobicContact CE1-CH2 3.78Å; F1173-W1317 AromaticContact CE1-CZ2 3.51Å; F1173-W1317 HydrophobicContact CE1-CZ2 3.51Å; F1173-W1317 HydrophobicContact CE1-CZ3 4.06Å; F1173-W1317 AromaticContact CZ-CE2 3.97Å; F1173-W1317 HydrophobicContact CZ-CZ2 4.02Å
1174N90Very high85.1Confident17 Ų1735.3 Ų35.39%0.09117%0.17CC..  trans-104.1125.1174-177-37.4000109.9E1115 E1170 I1172 R1176 Q1177 I1178E1115-N1174 PolarHBondContact OE1-ND2 2.87Å; E1170-N1174 WeakPolarHBondContact O-CB 3.24Å; E1170-N1174 PolarHBondContact O-ND2 2.72Å; I1172-N1174 PolarHBondContact O-N 2.9Å; N1174-R1176 VanDerWaalsContact C-N 3.3Å; N1174-R1176 PolarHBondContact O-N 2.81Å; N1174-R1176 PolarHBondContact OD1-N 2.81Å; N1174-Q1177 HydrophobicContact CB-CB 4.1Å; N1174-Q1177 HydrophobicContact CB-CG 3.84Å; N1174-Q1177 PolarHBondContact O-N 3.06Å; N1174-I1178 PolarHBondContact O-N 3.11Å; N1174-I1178 VanDerWaalsContact O-N 3.14Å
1175N89.7Confident83.7Confident81 Ų8142.1 Ų42.143%0.43321%0.207SC..Hα-helixtrans-50.5-49.1-179.5-59.927.3000111.7Q1177 I1178 E1179 L1193 L1196N1175-Q1177 PolarHBondContact O-N 3.38Å; N1175-I1178 PolarHBondContact O-N 2.77Å; N1175-E1179 WeakPolarHBondContact O-CB 3.25Å; N1175-E1179 VanDerWaalsContact O-CG 3.26Å; N1175-E1179 WeakPolarHBondContact O-CG 3.35Å; N1175-E1179 PolarHBondContact O-N 3.38Å; N1175-L1193 HydrophobicContact CB-CD2 4.36Å; N1175-L1196 HydrophobicContact CB-CD2 4.23Å; N1175-L1196 WeakPolarHBondContact OD1-CD2 3.32Å
1176R85.3Confident82.7Confident115 Ų11544.9 Ų44.943%0.43422%0.224SC..Hα-helixtrans-66.5-40.5-176.3-70.5-179.9171.3-173.4-4.6112.2E1115 N1174 I1178 E1179 L1180E1115-R1176 PolarHBondContact O-NH1 2.86Å; N1174-R1176 VanDerWaalsContact C-N 3.3Å; N1174-R1176 PolarHBondContact O-N 2.81Å; N1174-R1176 PolarHBondContact OD1-N 2.81Å; R1176-I1178 PolarHBondContact O-N 2.95Å; R1176-E1179 PolarHBondContact O-N 3.49Å; R1176-L1180 WeakPolarHBondContact O-CG 3.33Å; R1176-L1180 PolarHBondContact O-N 3.48Å; R1176-L1180 VanDerWaalsContact O-N 3.11Å
1177Q86.8Confident81.6Confident1 Ų141.6 Ų41.61%0.00521%0.212CC..Hα-helixtrans-65.5-33.1-180-62.3-60.8-25.700111.5S1111 N1143 V1171 N1174 N1175S1111-Q1177 PolarHBondContact OG-NE2 3.07Å; N1143-Q1177 PolarHBondContact ND2-O 2.77Å; N1143-Q1177 PolarHBondContact ND2-OE1 3.28Å; V1171-Q1177 WeakPolarHBondContact O-CB 3.41Å; N1174-Q1177 HydrophobicContact CB-CB 4.1Å; N1174-Q1177 HydrophobicContact CB-CG 3.84Å; N1174-Q1177 PolarHBondContact O-N 3.06Å; N1175-Q1177 PolarHBondContact O-N 3.38Å
1178I85.6Confident80.8Confident0 Ų045.1 Ų45.10%023%0.231CC..Hα-helixtrans-79.8-37.9175.5-65.9172.5000111.5N1174 N1175 R1176 L1180 N1181 V1189 L1193 L1196 W1317 Y1320N1174-I1178 PolarHBondContact O-N 3.11Å; N1174-I1178 VanDerWaalsContact O-N 3.14Å; N1175-I1178 PolarHBondContact O-N 2.77Å; R1176-I1178 PolarHBondContact O-N 2.95Å; I1178-L1180 PolarHBondContact O-N 2.91Å; I1178-N1181 WeakPolarHBondContact O-CA 3.49Å; I1178-N1181 VanDerWaalsContact O-CB 3.28Å; I1178-N1181 WeakPolarHBondContact O-CB 3.38Å; I1178-N1181 PolarHBondContact O-N 3.34Å; I1178-V1189 HydrophobicContact CG2-CG1 3.9Å; I1178-L1193 HydrophobicContact CB-CD2 4.22Å; I1178-L1193 HydrophobicContact CG2-CD2 3.98Å; I1178-L1193 HydrophobicContact CG2-CG 4.42Å; I1178-L1196 HydrophobicContact CD1-CD1 3.44Å; I1178-L1196 VanDerWaalsContact CD1-CD1 3.44Å; I1178-L1196 HydrophobicContact CD1-CD2 3.82Å; I1178-L1196 HydrophobicContact CD1-CG 4.31Å; I1178-W1317 HydrophobicContact CD1-CH2 4.29Å; I1178-W1317 HydrophobicContact CD1-CZ3 4.07Å; I1178-Y1320 HydrophobicContact CG2-CE2 4.45Å
1179E84Confident80.3Confident90 Ų9045.6 Ų45.642%0.42123%0.234SC..Hα-helixtrans-57.7-33.4173.7-79.2167.2-16500112.1N1175 R1176 N1181 S1182 L1193N1175-E1179 WeakPolarHBondContact O-CB 3.25Å; N1175-E1179 VanDerWaalsContact O-CG 3.26Å; N1175-E1179 WeakPolarHBondContact O-CG 3.35Å; N1175-E1179 PolarHBondContact O-N 3.38Å; R1176-E1179 PolarHBondContact O-N 3.49Å; E1179-N1181 PolarHBondContact O-N 2.97Å; E1179-N1181 VanDerWaalsContact O-N 3.11Å; E1179-S1182 WeakPolarHBondContact O-CB 3.41Å; E1179-S1182 PolarHBondContact O-N 2.94Å; E1179-S1182 PolarHBondContact O-OG 3.2Å; E1179-L1193 HydrophobicContact CG-CD1 3.49Å; E1179-L1193 VanDerWaalsContact CG-CD1 3.49Å; E1179-L1193 HydrophobicContact CG-CD2 4.08Å; E1179-L1193 HydrophobicContact CG-CG 4.45Å
1180L79.2Confident80Confident34 Ų3452 Ų5218%0.17826%0.263CS..THydrogen-bonded Turntrans-65.9-7.1173.4-69.9171000113.7L1114 N1143 R1176 I1178 F1183L1114-L1180 HydrophobicContact CD1-CD1 4.38Å; N1143-L1180 HydrophobicContact CB-CB 4.02Å; R1176-L1180 WeakPolarHBondContact O-CG 3.33Å; R1176-L1180 PolarHBondContact O-N 3.48Å; R1176-L1180 VanDerWaalsContact O-N 3.11Å; I1178-L1180 PolarHBondContact O-N 2.91Å; L1180-F1183 VanDerWaalsContact O-CD2 3.31Å; L1180-F1183 WeakPolarHBondContact O-CD2 3.39Å; L1180-F1183 WeakPolarHBondContact O-CE2 3.39Å
1181N77.8Confident79.7Confident5 Ų553.5 Ų53.53%0.02727%0.267CS..THydrogen-bonded Turntrans-93.3-1169.3-64.5-37000113.3G1142 N1143 I1178 E1179 F1183 L1187 V1189 Y1320G1142-N1181 WeakPolarHBondContact CA-OD1 3.42Å; N1143-N1181 VanDerWaalsContact CB-OD1 3.3Å; N1143-N1181 WeakPolarHBondContact CB-OD1 3.42Å; N1143-N1181 PolarHBondContact N-OD1 3.13Å; I1178-N1181 WeakPolarHBondContact O-CA 3.49Å; I1178-N1181 VanDerWaalsContact O-CB 3.28Å; I1178-N1181 WeakPolarHBondContact O-CB 3.38Å; I1178-N1181 PolarHBondContact O-N 3.34Å; E1179-N1181 PolarHBondContact O-N 2.97Å; E1179-N1181 VanDerWaalsContact O-N 3.11Å; N1181-F1183 PolarHBondContact O-N 2.93Å; N1181-L1187 HydrophobicContact CB-CD1 4Å; N1181-L1187 WeakPolarHBondContact O-CD1 3.28Å; N1181-V1189 HydrophobicContact CB-CG2 4.38Å; N1181-Y1320 PolarHBondContact ND2-OH 3.32Å
1182S69Low79.5Confident63 Ų6353.7 Ų53.744%0.44127%0.268SS..THydrogen-bonded Turntrans-65.1-7.6-173.2590000115.8E1179 N1184E1179-S1182 WeakPolarHBondContact O-CB 3.41Å; E1179-S1182 PolarHBondContact O-N 2.94Å; E1179-S1182 PolarHBondContact O-OG 3.2Å; S1182-N1184 PolarHBondContact O-N 2.81Å
1183F62.8Low79.4Confident110 Ų11055.7 Ų55.748%0.48228%0.278SS..THydrogen-bonded Turntrans-66.8-17.4-178.7-52.9-70.7000114.3N1132 L1180 N1181N1132-F1183 WeakPolarHBondContact ND2-CE1 3.21Å; N1132-F1183 WeakPolarHBondContact ND2-CZ 3.28Å; N1132-F1183 WeakPolarHBondContact OD1-CD2 3.4Å; N1132-F1183 WeakPolarHBondContact OD1-CE2 3.15Å; N1132-F1183 WeakPolarHBondContact OD1-CZ 3.43Å; L1180-F1183 VanDerWaalsContact O-CD2 3.31Å; L1180-F1183 WeakPolarHBondContact O-CD2 3.39Å; L1180-F1183 WeakPolarHBondContact O-CE2 3.39Å; N1181-F1183 PolarHBondContact O-N 2.93Å
1184N59.6Low79.3Confident22 Ų2265.8 Ų65.812%0.11832%0.316CS..  trans-105.9107.3175.5-75.9-30.6000110N1140 S1182 T1186 L1187N1140-N1184 PolarHBondContact ND2-OD1 3.14Å; S1182-N1184 PolarHBondContact O-N 2.81Å; N1184-T1186 PolarHBondContact O-N 3.28Å; N1184-L1187 HydrophobicContact CB-CD1 4.04Å; N1184-L1187 HydrophobicContact CB-CG 4.16Å; N1184-L1187 PolarHBondContact O-N 3.24Å
1185D61.9Low79.4Confident153 Ų15367.5 Ų67.582%0.81832%0.322SS*.G310 helixtrans-53.5-23.7173.8-70.7-25.7000112.4L1187D1185-L1187 VanDerWaalsContact C-N 3.31Å; D1185-L1187 PolarHBondContact O-N 3Å
1186T67.6Low79.5Confident88 Ų8863.7 Ų63.754%0.5430%0.301SS..G310 helixtrans-68.4-23.9179.658.20000114.3N1184 N1188 K1323N1184-T1186 PolarHBondContact O-N 3.28Å; T1186-N1188 VanDerWaalsContact C-N 3.32Å; T1186-N1188 PolarHBondContact O-N 3.38Å; T1186-K1323 WeakPolarHBondContact O-CD 3.4Å
1187L71.1Confident79.8Confident6 Ų664.1 Ų64.13%0.03131%0.308CS..G310 helixtrans-77.8-13.8-175.8-76.5172.4000113.6N1181 N1184 D1185 V1189 K1323 I1324 L1327N1181-L1187 HydrophobicContact CB-CD1 4Å; N1181-L1187 WeakPolarHBondContact O-CD1 3.28Å; N1184-L1187 HydrophobicContact CB-CD1 4.04Å; N1184-L1187 HydrophobicContact CB-CG 4.16Å; N1184-L1187 PolarHBondContact O-N 3.24Å; D1185-L1187 VanDerWaalsContact C-N 3.31Å; D1185-L1187 PolarHBondContact O-N 3Å; L1187-V1189 HydrophobicContact CB-CG2 3.63Å; L1187-V1189 HydrophobicContact CD1-CG2 4.38Å; L1187-V1189 PolarHBondContact O-N 2.97Å; L1187-K1323 HydrophobicContact CD2-CB 3.85Å; L1187-I1324 HydrophobicContact CD2-CG1 3.58Å; L1187-L1327 HydrophobicContact CD1-CD1 4.13Å; L1187-L1327 HydrophobicContact CD2-CD1 3.79Å; L1187-L1327 HydrophobicContact CG-CD1 3.9Å
1188N75.9Confident80.1Confident75 Ų7568 Ų6840%0.40133%0.326SS..  trans48.942.5-172.8-68-13.5000112.7T1186 E1190 Y1191 V1192 K1323T1186-N1188 VanDerWaalsContact C-N 3.32Å; T1186-N1188 PolarHBondContact O-N 3.38Å; N1188-E1190 PolarHBondContact O-N 3.46Å; N1188-Y1191 WeakPolarHBondContact O-CB 3.42Å; N1188-Y1191 PolarHBondContact O-N 3.17Å; N1188-V1192 PolarHBondContact O-N 3.15Å; N1188-K1323 PolarHBondContact ND2-NZ 3.34Å
1189V82.9Confident80.4Confident10 Ų1068 Ų686%0.06133%0.326CS..Hα-helixtrans-54.7-40.7-174.8176.60000112I1178 N1181 L1187 Y1191 V1192 L1193I1178-V1189 HydrophobicContact CG2-CG1 3.9Å; N1181-V1189 HydrophobicContact CB-CG2 4.38Å; L1187-V1189 HydrophobicContact CB-CG2 3.63Å; L1187-V1189 HydrophobicContact CD1-CG2 4.38Å; L1187-V1189 PolarHBondContact O-N 2.97Å; V1189-Y1191 VanDerWaalsContact C-N 3.28Å; V1189-Y1191 PolarHBondContact O-N 3.46Å; V1189-V1192 PolarHBondContact O-N 3.2Å; V1189-V1192 VanDerWaalsContact O-N 3.15Å; V1189-L1193 HydrophobicContact CG1-CD1 3.78Å; V1189-L1193 HydrophobicContact CG1-CG 4.02Å; V1189-L1193 WeakPolarHBondContact O-CG 3.18Å; V1189-L1193 PolarHBondContact O-N 2.94Å
1190E84.7Confident80.8Confident169 Ų16967.3 Ų67.379%0.7932%0.32SS*.Hα-helixtrans-58.2-38.2178.2-169.7179.6-179.200112.9N1188 L1193 R1194N1188-E1190 PolarHBondContact O-N 3.46Å; E1190-L1193 PolarHBondContact O-N 3.4Å; E1190-R1194 PolarHBondContact O-N 3.48Å
1191Y85Confident81.4Confident84 Ų8470 Ų7033%0.32933%0.332SS..Hα-helixtrans-67.7-40.6177.7-175.3-100.9000111.8N1188 V1189 T1316 L1369N1188-Y1191 WeakPolarHBondContact O-CB 3.42Å; N1188-Y1191 PolarHBondContact O-N 3.17Å; V1189-Y1191 VanDerWaalsContact C-N 3.28Å; V1189-Y1191 PolarHBondContact O-N 3.46Å; Y1191-T1316 HydrophobicContact CD1-CG2 3.77Å; Y1191-T1316 HydrophobicContact CE1-CG2 3.65Å; Y1191-L1369 HydrophobicContact CE1-CD1 4.5Å; Y1191-L1369 HydrophobicContact CE1-CD2 4.38Å
1192V87.8Confident82Confident4 Ų470.2 Ų70.22%0.02433%0.332CS..Hα-helixtrans-65.1-46.5175.3-179.60000110.3N1188 V1189 R1194 R1195 L1196 I1199 T1316 W1317 Y1320N1188-V1192 PolarHBondContact O-N 3.15Å; V1189-V1192 PolarHBondContact O-N 3.2Å; V1189-V1192 VanDerWaalsContact O-N 3.15Å; V1192-R1194 VanDerWaalsContact C-N 3.29Å; V1192-R1194 PolarHBondContact O-N 3.43Å; V1192-R1195 CarbonylContact O-C 3.38Å; V1192-R1195 PolarHBondContact O-N 3.49Å; V1192-R1195 VanDerWaalsContact O-N 3.1Å; V1192-L1196 HydrophobicContact CG1-CD1 4.38Å; V1192-L1196 WeakPolarHBondContact O-CA 3.22Å; V1192-L1196 WeakPolarHBondContact O-CB 3.44Å; V1192-L1196 PolarHBondContact O-N 2.99Å; V1192-I1199 HydrophobicContact CG1-CD1 4.36Å; V1192-T1316 HydrophobicContact CG2-CG2 4.28Å; V1192-W1317 HydrophobicContact CG1-CE3 4.32Å; V1192-W1317 HydrophobicContact CG1-CZ3 4.28Å; V1192-Y1320 HydrophobicContact CG2-CD2 3.97Å; V1192-Y1320 HydrophobicContact CG2-CG 4.08Å
1193L89.1Confident83Confident43 Ų4367.2 Ų67.223%0.22531%0.311CS..Hα-helixtrans-59-39.1179.5-71.2174.3000112.3N1175 I1178 E1179 V1189 E1190 R1195 L1196N1175-L1193 HydrophobicContact CB-CD2 4.36Å; I1178-L1193 HydrophobicContact CB-CD2 4.22Å; I1178-L1193 HydrophobicContact CG2-CD2 3.98Å; I1178-L1193 HydrophobicContact CG2-CG 4.42Å; E1179-L1193 HydrophobicContact CG-CD1 3.49Å; E1179-L1193 VanDerWaalsContact CG-CD1 3.49Å; E1179-L1193 HydrophobicContact CG-CD2 4.08Å; E1179-L1193 HydrophobicContact CG-CG 4.45Å; V1189-L1193 HydrophobicContact CG1-CD1 3.78Å; V1189-L1193 HydrophobicContact CG1-CG 4.02Å; V1189-L1193 WeakPolarHBondContact O-CG 3.18Å; V1189-L1193 PolarHBondContact O-N 2.94Å; E1190-L1193 PolarHBondContact O-N 3.4Å; L1193-R1195 PolarHBondContact O-N 3.26Å; L1193-L1196 HydrophobicContact CD2-CD2 4.09Å; L1193-L1196 PolarHBondContact O-N 3.28Å
1194R90.1Very high84.2Confident211 Ų21164.7 Ų64.780%0.79630%0.299SS*.Hα-helixtrans-60.8-29177.3-176.7175.5173-176.9-2.1113.5E1190 V1192E1190-R1194 PolarHBondContact O-N 3.48Å; V1192-R1194 VanDerWaalsContact C-N 3.29Å; V1192-R1194 PolarHBondContact O-N 3.43Å
1195R90.6Very high85.3Confident53 Ų5367 Ų6720%0.231%0.309CS..THydrogen-bonded Turntrans-112.69.4179.3-61.1-166.472.799.9-2.4113.7V1192 L1193 H1197 E1198 I1199 D1309 N1313V1192-R1195 CarbonylContact O-C 3.38Å; V1192-R1195 PolarHBondContact O-N 3.49Å; V1192-R1195 VanDerWaalsContact O-N 3.1Å; L1193-R1195 PolarHBondContact O-N 3.26Å; R1195-H1197 PolarHBondContact O-N 2.8Å; R1195-E1198 VanDerWaalsContact CA-OE2 3.24Å; R1195-E1198 WeakPolarHBondContact CA-OE2 3.36Å; R1195-E1198 PolarHBondContact O-N 3.29Å; R1195-E1198 VanDerWaalsContact O-OE2 3.1Å; R1195-I1199 HydrophobicContact CB-CD1 4.21Å; R1195-I1199 VanDerWaalsContact O-CG1 3.27Å; R1195-I1199 WeakPolarHBondContact O-CG1 3.31Å; R1195-I1199 PolarHBondContact O-N 3.35Å; R1195-D1309 IonicContact NH2-OD1 2.84Å; R1195-N1313 PolarHBondContact NE-OD1 2.92Å; R1195-N1313 PolarHBondContact NH2-OD1 2.95Å
1196L92.1Very high86.3Confident1 Ų160.7 Ų60.71%0.00528%0.275CS..Hα-helixtrans-65.3-33-169.3-175.266.7000111.7F1173 N1175 I1178 V1192 L1193 I1199 R1200F1173-L1196 HydrophobicContact CD1-CD1 4.18Å; N1175-L1196 HydrophobicContact CB-CD2 4.23Å; N1175-L1196 WeakPolarHBondContact OD1-CD2 3.32Å; I1178-L1196 HydrophobicContact CD1-CD1 3.44Å; I1178-L1196 VanDerWaalsContact CD1-CD1 3.44Å; I1178-L1196 HydrophobicContact CD1-CD2 3.82Å; I1178-L1196 HydrophobicContact CD1-CG 4.31Å; V1192-L1196 HydrophobicContact CG1-CD1 4.38Å; V1192-L1196 WeakPolarHBondContact O-CA 3.22Å; V1192-L1196 WeakPolarHBondContact O-CB 3.44Å; V1192-L1196 PolarHBondContact O-N 2.99Å; L1193-L1196 HydrophobicContact CD2-CD2 4.09Å; L1193-L1196 PolarHBondContact O-N 3.28Å; L1196-I1199 PolarHBondContact O-N 2.89Å; L1196-R1200 WeakPolarHBondContact O-CB 3.45Å; L1196-R1200 PolarHBondContact O-N 3.32Å
1197H92.3Very high87.1Confident125 Ų12556.9 Ų56.958%0.57925%0.251SS*.Hα-helixtrans-60.4-48.8176.4-17956.5000111R1195 R1200 E1201R1195-H1197 PolarHBondContact O-N 2.8Å; H1197-R1200 WeakPolarHBondContact O-CB 3.38Å; H1197-R1200 PolarHBondContact O-N 3.01Å; H1197-E1201 WeakPolarHBondContact O-CG 3.29Å; H1197-E1201 PolarHBondContact O-N 3.41Å
1198E93.1Very high87.6Confident82 Ų8257 Ų5738%0.38325%0.252SS..Hα-helixtrans-71.5-33.4-179.6-56.986.3166.700112.4R1195 L1202 N1313R1195-E1198 VanDerWaalsContact CA-OE2 3.24Å; R1195-E1198 WeakPolarHBondContact CA-OE2 3.36Å; R1195-E1198 PolarHBondContact O-N 3.29Å; R1195-E1198 VanDerWaalsContact O-OE2 3.1Å; E1198-L1202 WeakPolarHBondContact O-CB 3.36Å; E1198-L1202 PolarHBondContact O-N 2.85Å; E1198-N1313 VanDerWaalsContact CB-ND2 3.29Å; E1198-N1313 WeakPolarHBondContact CB-ND2 3.46Å
1199I92.4Very high87.5Confident0 Ų056.2 Ų56.20%025%0.248CC..Hα-helixtrans-64.2-46.1172-67166.4000110.2F1173 V1192 R1195 L1196 L1202 Y1203 N1313 T1316 W1317F1173-I1199 HydrophobicContact CD1-CG2 4.05Å; F1173-I1199 HydrophobicContact CE1-CG2 3.64Å; V1192-I1199 HydrophobicContact CG1-CD1 4.36Å; R1195-I1199 HydrophobicContact CB-CD1 4.21Å; R1195-I1199 VanDerWaalsContact O-CG1 3.27Å; R1195-I1199 WeakPolarHBondContact O-CG1 3.31Å; R1195-I1199 PolarHBondContact O-N 3.35Å; L1196-I1199 PolarHBondContact O-N 2.89Å; I1199-L1202 WeakPolarHBondContact O-CB 3.24Å; I1199-L1202 PolarHBondContact O-N 2.95Å; I1199-Y1203 HydrophobicContact CG2-CD2 3.93Å; I1199-Y1203 HydrophobicContact CG2-CE2 4.19Å; I1199-Y1203 WeakPolarHBondContact O-CD2 3.09Å; I1199-Y1203 PolarHBondContact O-N 3.23Å; I1199-N1313 HydrophobicContact CG1-CB 3.86Å; I1199-T1316 HydrophobicContact CD1-CG2 3.94Å; I1199-W1317 HydrophobicContact CG2-CB 4.08Å; I1199-W1317 HydrophobicContact CG2-CD2 4.18Å; I1199-W1317 HydrophobicContact CG2-CE3 4.12Å; I1199-W1317 HydrophobicContact CG2-CG 4.18Å
1200R93Very high86.2Confident75 Ų7556.7 Ų56.728%0.28325%0.254SS..Hα-helixtrans-59.5-49177.8176175.8163.3157.3-4.8110.8L1169 F1173 L1196 H1197 L1202 Y1203 Y1204L1169-R1200 HydrophobicContact CD2-CG 4.26Å; L1169-R1200 VanDerWaalsContact CD2-NE 3.3Å; L1169-R1200 PolarHBondContact O-NH1 2.82Å; F1173-R1200 HydrophobicContact CB-CB 3.83Å; F1173-R1200 HydrophobicContact CB-CG 3.82Å; F1173-R1200 HydrophobicContact CG-CB 4.23Å; F1173-R1200 HydrophobicContact CG-CG 4.42Å; L1196-R1200 WeakPolarHBondContact O-CB 3.45Å; L1196-R1200 PolarHBondContact O-N 3.32Å; H1197-R1200 WeakPolarHBondContact O-CB 3.38Å; H1197-R1200 PolarHBondContact O-N 3.01Å; R1200-L1202 VanDerWaalsContact C-N 3.32Å; R1200-L1202 PolarHBondContact O-N 3.09Å; R1200-Y1203 PolarHBondContact O-N 3.3Å; R1200-Y1204 WeakPolarHBondContact O-CB 3.39Å; R1200-Y1204 PolarHBondContact O-N 3.49Å
1201E90Very high84.5Confident92 Ų9250.9 Ų50.943%0.4323%0.23SC..Hα-helixtrans-61.2-40.6177.8-72.5-56.4122.100111.9H1197 H1205H1197-E1201 WeakPolarHBondContact O-CG 3.29Å; H1197-E1201 PolarHBondContact O-N 3.41Å; E1201-H1205 VanDerWaalsContact O-CB 3.27Å; E1201-H1205 WeakPolarHBondContact O-CB 3.32Å; E1201-H1205 PolarHBondContact O-N 2.89Å
1202L90.2Very high82Confident8 Ų850 Ų504%0.04223%0.234CC..Hα-helixtrans-58.8-56.4175.6175.563.5000111.7E1198 I1199 R1200 H1205 E1206 P1283 R1310 N1313 C1314E1198-L1202 WeakPolarHBondContact O-CB 3.36Å; E1198-L1202 PolarHBondContact O-N 2.85Å; I1199-L1202 WeakPolarHBondContact O-CB 3.24Å; I1199-L1202 PolarHBondContact O-N 2.95Å; R1200-L1202 VanDerWaalsContact C-N 3.32Å; R1200-L1202 PolarHBondContact O-N 3.09Å; L1202-H1205 PolarHBondContact O-N 2.91Å; L1202-E1206 HydrophobicContact CD1-CG 4.47Å; L1202-E1206 WeakPolarHBondContact O-CG 3.45Å; L1202-E1206 PolarHBondContact O-N 3.44Å; L1202-P1283 HydrophobicContact CD1-CB 4.38Å; L1202-P1283 HydrophobicContact CD2-CB 4.23Å; L1202-P1283 HydrophobicContact CD2-CG 4.14Å; L1202-P1283 HydrophobicContact CG-CB 4.49Å; L1202-P1283 HydrophobicContact CG-CG 4.25Å; L1202-R1310 HydrophobicContact CD1-CB 4.14Å; L1202-R1310 HydrophobicContact CD1-CG 3.94Å; L1202-R1310 WeakPolarHBondContact CD2-O 3.46Å; L1202-N1313 HydrophobicContact CD2-CB 3.9Å; L1202-C1314 HydrophobicContact CD2-CB 4.27Å
1203Y90.8Very high79.1Confident0 Ų052.5 Ų52.50%025%0.252CS..Hα-helixtrans-72.5-29.7-177.3-81.3-82.3000112.9F1173 I1199 R1200 H1205 E1206 L1207 W1279 V1280 P1283 W1317F1173-Y1203 HydrophobicContact CE1-CD2 4.1Å; F1173-Y1203 HydrophobicContact CE1-CG 4.45Å; F1173-Y1203 HydrophobicContact CE2-CG 4.15Å; F1173-Y1203 VanDerWaalsContact CZ-CB 3.49Å; F1173-Y1203 HydrophobicContact CZ-CD1 4.38Å; F1173-Y1203 AromaticContact CZ-CD2 3.67Å; F1173-Y1203 HydrophobicContact CZ-CD2 3.67Å; F1173-Y1203 AromaticContact CZ-CG 3.59Å; F1173-Y1203 HydrophobicContact CZ-CG 3.59Å; I1199-Y1203 HydrophobicContact CG2-CD2 3.93Å; I1199-Y1203 HydrophobicContact CG2-CE2 4.19Å; I1199-Y1203 WeakPolarHBondContact O-CD2 3.09Å; I1199-Y1203 PolarHBondContact O-N 3.23Å; R1200-Y1203 PolarHBondContact O-N 3.3Å; Y1203-H1205 VanDerWaalsContact C-N 3.32Å; Y1203-E1206 PolarHBondContact O-N 3.39Å; Y1203-L1207 HydrophobicContact CD1-CD1 4.06Å; Y1203-L1207 HydrophobicContact CD1-CG 4.37Å; Y1203-L1207 VanDerWaalsContact O-CB 3.22Å; Y1203-L1207 WeakPolarHBondContact O-CB 3.29Å; Y1203-L1207 VanDerWaalsContact O-CG 3.25Å; Y1203-L1207 WeakPolarHBondContact O-CG 3.49Å; Y1203-L1207 PolarHBondContact O-N 3.01Å; Y1203-W1279 HydrophobicContact CD1-CE3 4.19Å; Y1203-W1279 HydrophobicContact CD1-CZ3 4.25Å; Y1203-W1279 HydrophobicContact CE1-CE3 4.14Å; Y1203-W1279 HydrophobicContact CE1-CZ3 4.21Å; Y1203-V1280 PolarHBondContact OH-O 2.94Å; Y1203-P1283 HydrophobicContact CD1-CG 4.47Å; Y1203-P1283 HydrophobicContact CE1-CG 3.9Å; Y1203-P1283 HydrophobicContact CE2-CG 4.47Å; Y1203-W1317 HydrophobicContact CE2-CB 3.95Å; Y1203-W1317 AromaticContact CE2-CD1 3.47Å; Y1203-W1317 VanDerWaalsContact CE2-CD1 3.47Å; Y1203-W1317 AromaticContact CE2-CG 3.8Å; Y1203-W1317 HydrophobicContact CE2-CG 3.8Å; Y1203-W1317 AromaticContact CZ-CD1 3.49Å; Y1203-W1317 VanDerWaalsContact CZ-CD1 3.49Å
1204Y89Confident76.2Confident58 Ų5853 Ų5323%0.22726%0.256CS..Hα-helixtrans-62.7-43.4170-177.6-104.1000110.7T1165 L1169 R1200 V1208 L1209T1165-Y1204 HydrophobicContact CG2-CE2 4.04Å; L1169-Y1204 HydrophobicContact CD1-CD2 4.48Å; L1169-Y1204 HydrophobicContact CD1-CE2 4.11Å; L1169-Y1204 HydrophobicContact CD2-CD2 3.78Å; L1169-Y1204 HydrophobicContact CD2-CE2 4.22Å; L1169-Y1204 HydrophobicContact CD2-CG 4.45Å; L1169-Y1204 HydrophobicContact CG-CD2 4.39Å; L1169-Y1204 HydrophobicContact CG-CE2 4.49Å; R1200-Y1204 WeakPolarHBondContact O-CB 3.39Å; R1200-Y1204 PolarHBondContact O-N 3.49Å; Y1204-V1208 HydrophobicContact CD2-CB 3.82Å; Y1204-V1208 HydrophobicContact CD2-CG1 4.31Å; Y1204-V1208 HydrophobicContact CD2-CG2 3.64Å; Y1204-V1208 HydrophobicContact CE2-CB 3.73Å; Y1204-V1208 HydrophobicContact CE2-CG1 3.69Å; Y1204-V1208 HydrophobicContact CE2-CG2 3.8Å; Y1204-V1208 HydrophobicContact CG-CB 4.41Å; Y1204-V1208 WeakPolarHBondContact O-CA 3.21Å; Y1204-V1208 VanDerWaalsContact O-CB 3.26Å; Y1204-V1208 WeakPolarHBondContact O-CB 3.48Å; Y1204-V1208 PolarHBondContact O-N 3.28Å; Y1204-L1209 HydrophobicContact CD1-CD1 4Å; Y1204-L1209 HydrophobicContact CD1-CG 4.08Å; Y1204-L1209 HydrophobicContact CE1-CD1 3.82Å; Y1204-L1209 HydrophobicContact CE1-CD2 4.05Å; Y1204-L1209 HydrophobicContact CE1-CG 3.73Å; Y1204-L1209 PolarHBondContact O-N 3.03Å
1205H82.8Confident73.1Confident70 Ų7046.1 Ų46.132%0.32424%0.24SC..Iπ-helixtrans-63.7-40.8174.8-173.680.4000112.3E1201 L1202 Y1203 L1209 G1210E1201-H1205 VanDerWaalsContact O-CB 3.27Å; E1201-H1205 WeakPolarHBondContact O-CB 3.32Å; E1201-H1205 PolarHBondContact O-N 2.89Å; L1202-H1205 PolarHBondContact O-N 2.91Å; Y1203-H1205 VanDerWaalsContact C-N 3.32Å; H1205-L1209 CarbonylContact O-C 3.6Å; H1205-G1210 WeakPolarHBondContact O-CA 3.44Å; H1205-G1210 PolarHBondContact O-N 3.1Å
1206E82.8Confident69.9Low20 Ų2049.2 Ų49.29%0.09326%0.26CS..Iπ-helixtrans-73.7-45.4179.6-64.2-65.9-179.800113.2L1202 Y1203 P1283 H1286 R1310L1202-E1206 HydrophobicContact CD1-CG 4.47Å; L1202-E1206 WeakPolarHBondContact O-CG 3.45Å; L1202-E1206 PolarHBondContact O-N 3.44Å; Y1203-E1206 PolarHBondContact O-N 3.39Å; E1206-P1283 HydrophobicContact CG-CG 4.11Å; E1206-H1286 IonicContact OE1-ND1 3.87Å; E1206-H1286 IonicContact OE2-CE1 2.82Å; E1206-H1286 IonicContact OE2-CG 2.85Å; E1206-H1286 IonicContact OE2-ND1 2.62Å; E1206-H1286 PolarHBondContact OE2-ND1 2.65Å; E1206-R1310 IonicContact OE1-CZ 2.96Å; E1206-R1310 IonicContact OE1-NH2 3.8Å; E1206-R1310 PolarHBondContact OE1-NH2 3.38Å
1207L84.5Confident66.8Low8 Ų853.4 Ų53.44%0.04229%0.294CS..Iπ-helixtrans-91.9-25.5-168.5-56.1178.5000113.5L1153 R1164 I1168 Y1203 I1275 W1279L1153-L1207 HydrophobicContact CD2-CD1 4.46Å; R1164-L1207 PolarHBondContact NH1-O 3.19Å; I1168-L1207 HydrophobicContact CD1-CB 4.04Å; I1168-L1207 HydrophobicContact CD1-CD1 4.09Å; Y1203-L1207 HydrophobicContact CD1-CD1 4.06Å; Y1203-L1207 HydrophobicContact CD1-CG 4.37Å; Y1203-L1207 VanDerWaalsContact O-CB 3.22Å; Y1203-L1207 WeakPolarHBondContact O-CB 3.29Å; Y1203-L1207 VanDerWaalsContact O-CG 3.25Å; Y1203-L1207 WeakPolarHBondContact O-CG 3.49Å; Y1203-L1207 PolarHBondContact O-N 3.01Å; L1207-I1275 HydrophobicContact CD2-CG2 4.37Å; L1207-W1279 HydrophobicContact CD1-CE3 3.87Å; L1207-W1279 HydrophobicContact CD1-CZ3 4.46Å; L1207-W1279 HydrophobicContact CD2-CB 3.8Å
1208V80.7Confident63.5Low10 Ų1056.3 Ų56.36%0.06130%0.3CS..Iπ-helixtrans-110.3-63-177.8-173.90000109.9I1168 Y1204 T1211I1168-V1208 HydrophobicContact CD1-CG2 3.94Å; Y1204-V1208 HydrophobicContact CD2-CB 3.82Å; Y1204-V1208 HydrophobicContact CD2-CG1 4.31Å; Y1204-V1208 HydrophobicContact CD2-CG2 3.64Å; Y1204-V1208 HydrophobicContact CE2-CB 3.73Å; Y1204-V1208 HydrophobicContact CE2-CG1 3.69Å; Y1204-V1208 HydrophobicContact CE2-CG2 3.8Å; Y1204-V1208 HydrophobicContact CG-CB 4.41Å; Y1204-V1208 WeakPolarHBondContact O-CA 3.21Å; Y1204-V1208 VanDerWaalsContact O-CB 3.26Å; Y1204-V1208 WeakPolarHBondContact O-CB 3.48Å; Y1204-V1208 PolarHBondContact O-N 3.28Å; V1208-T1211 PolarHBondContact O-OG1 3.3Å
1209L73.6Confident60.1Low58 Ų5859 Ų5930%0.30432%0.317SS..Iπ-helixtrans-72.1-39.5-174.4-61.7176000112.9Y1204 H1205 T1211 T1212 S1213Y1204-L1209 HydrophobicContact CD1-CD1 4Å; Y1204-L1209 HydrophobicContact CD1-CG 4.08Å; Y1204-L1209 HydrophobicContact CE1-CD1 3.82Å; Y1204-L1209 HydrophobicContact CE1-CD2 4.05Å; Y1204-L1209 HydrophobicContact CE1-CG 3.73Å; Y1204-L1209 PolarHBondContact O-N 3.03Å; H1205-L1209 CarbonylContact O-C 3.6Å; L1209-T1211 PolarHBondContact O-N 2.83Å; L1209-T1211 VanDerWaalsContact O-N 3.13Å; L1209-T1212 WeakPolarHBondContact CA-OG1 3.22Å; L1209-T1212 CarbonylContact O-C 3.53Å; L1209-T1212 WeakPolarHBondContact O-CA 3.44Å; L1209-T1212 PolarHBondContact O-N 3.22Å; L1209-T1212 PolarHBondContact O-OG1 2.91Å; L1209-S1213 PolarHBondContact O-N 2.89Å; L1209-S1213 PolarHBondContact O-OG 3.31Å; L1209-S1213 VanDerWaalsContact O-OG 3.11Å
1210G56.4Low56.9Low19 Ų1967.1 Ų67.120%0.19636%0.361CS..THydrogen-bonded Turntrans-60.9-26.1-178.700000112.7H1205 T1212 N1261H1205-G1210 WeakPolarHBondContact O-CA 3.44Å; H1205-G1210 PolarHBondContact O-N 3.1Å; G1210-T1212 VanDerWaalsContact C-N 3.29Å; G1210-N1261 PolarHBondContact O-ND2 3.07Å
1211T48.7Very low53.6Low47 Ų4766.1 Ų66.129%0.28837%0.374SS..THydrogen-bonded Turntrans-73.7-18.4171.468.50000113.7R1164 V1208 L1209R1164-T1211 PolarHBondContact NH1-OG1 3.3Å; V1208-T1211 PolarHBondContact O-OG1 3.3Å; L1209-T1211 PolarHBondContact O-N 2.83Å; L1209-T1211 VanDerWaalsContact O-N 3.13Å
1212T32.8Very low50.4Low66 Ų6668.4 Ų68.441%0.40539%0.394SS..THydrogen-bonded Turntrans-113-32.1-175.361.40000114.6L1209 G1210 T1214 S1215L1209-T1212 WeakPolarHBondContact CA-OG1 3.22Å; L1209-T1212 CarbonylContact O-C 3.53Å; L1209-T1212 WeakPolarHBondContact O-CA 3.44Å; L1209-T1212 PolarHBondContact O-N 3.22Å; L1209-T1212 PolarHBondContact O-OG1 2.91Å; G1210-T1212 VanDerWaalsContact C-N 3.29Å; T1212-T1214 PolarHBondContact O-N 2.65Å; T1212-S1215 PolarHBondContact O-N 3.43Å
1213S26.2Very low47.3Very low57 Ų5774.5 Ų74.540%0.39943%0.432SS..Hα-helixtrans-65.7-11.8-171.5-62.70000114.3L1209L1209-S1213 PolarHBondContact O-N 2.89Å; L1209-S1213 PolarHBondContact O-OG 3.31Å; L1209-S1213 VanDerWaalsContact O-OG 3.11Å
1214T28.8Very low44.2Very low53 Ų5381.6 Ų81.633%0.32547%0.47SS..Hα-helixtrans-82.8-8.9169.856.10000113.7T1212T1212-T1214 PolarHBondContact O-N 2.65Å
1215S23.9Very low41.1Very low66 Ų6685.9 Ų85.946%0.46250%0.496SS..Hα-helixtrans-83-26.8171.8101.80000113T1212 A1217T1212-S1215 PolarHBondContact O-N 3.43Å; S1215-A1217 VanDerWaalsContact C-N 3.31Å
1216I24Very low38.5Very low118 Ų11890.9 Ų90.961%0.60552%0.524SS*.Hα-helixtrans-77.5-20.3-177.5-63.2174.3000111.6R1218 N1219I1216-R1218 PolarHBondContact O-N 3.5Å; I1216-N1219 PolarHBondContact O-N 3.21Å
1217A26.1Very low35.7Very low89 Ų8996.7 Ų96.774%0.73656%0.555SS**THydrogen-bonded Turntrans-67.210.4176.800000115.1S1215S1215-A1217 VanDerWaalsContact C-N 3.31Å
1218R23.1Very low33Very low187 Ų187103 Ų10371%0.70659%0.589SS**THydrogen-bonded Turntrans-122.8-5.1177-90-171.1178.8-174.2-0.4117I1216 H1262I1216-R1218 PolarHBondContact O-N 3.5Å; R1218-H1262 PolarHBondContact NH2-CE1 3.45Å; R1218-H1262 PolarHBondContact NH2-NE2 3.2Å
1219N23.2Very low30.5Very low137 Ų137109.6 Ų109.673%0.73362%0.624SS**  trans-104.6-0-173-79.26.3000116.6I1216 G1221I1216-N1219 PolarHBondContact O-N 3.21Å; N1219-G1221 PolarHBondContact O-N 3.22Å
1220D24.2Very low28.1Very low171 Ų171115.1 Ų115.191%0.91465%0.648SS**  trans-87.665.7170.8-69.9-17.1000110.9
1221G23.5Very low26.7Very low54 Ų54120.6 Ų120.656%0.55767%0.673SS**  trans-128.8118.6158.300000106.7N1219N1219-G1221 PolarHBondContact O-N 3.22Å
1222V23.3Very low25.5Very low140 Ų140124 Ų12485%0.84870%0.699SS**SBendtrans93.687.9-179.3-165.90000114.3
1223T24.9Very low25Very low137 Ų137132 Ų13284%0.8472%0.722SS**  -174.6116.4123.527.90000110
1224D25.1Very low24.7Very low149 Ų149137.4 Ų137.480%0.79775%0.745SS**  trans-63.3147.5171.6-70.6-48.2000112.4
1225N23.8Very low24.3Very low148 Ų148139.7 Ų139.779%0.79176%0.763SS**  trans61.790147.4-63.7-22.6000119.8
1226I28.6Very low24.2Very low174 Ų174143.7 Ų143.789%0.89278%0.779SS**  trans-138.4115.9137.9-63.1178.1000109.3
1227N25Very low24.1Very low142 Ų142141.8 Ų141.876%0.75978%0.776SS**  trans-70.4156.6166.1-86.7-19.3000111.3
1228D27.2Very low24Very low142 Ų142143.1 Ų143.176%0.75978%0.777SS**  trans103.3122.1154.8-56.7-28.8000118.7
1229N27.7Very low24Very low147 Ų147140.3 Ų140.379%0.78678%0.775SS**  trans91.2105.4153.2-59.1-21.5000120
1230E24.3Very low24.1Very low175 Ų175141.6 Ų141.682%0.81878%0.781SS**  trans35.9105.4131.4-56.8-159.615700118.5
1231D26.2Very low24.1Very low133 Ų133141 Ų14171%0.71177%0.773SS**  159.5100.6119-86.5-23.2000110.8R1233D1231-R1233 VanDerWaalsContact C-N 3.33Å; D1231-R1233 PolarHBondContact O-N 3.11Å
1232S23.8Very low24.3Very low119 Ų119145.7 Ų145.783%0.83279%0.785SS**  trans33.544.4145.163.10000119.7
1233R21.8Very low24.4Very low234 Ų234147.7 Ų147.788%0.88379%0.787SS**  trans-91.2102.5160.3-69.7-175.2-174.9174.43.1107.9D1231 S1235D1231-R1233 VanDerWaalsContact C-N 3.33Å; D1231-R1233 PolarHBondContact O-N 3.11Å; R1233-S1235 VanDerWaalsContact C-N 3.32Å; R1233-S1235 PolarHBondContact O-N 3.27Å
1234L21.3Very low24.6Very low171 Ų171145.6 Ų145.690%0.89578%0.776SS**  trans-48.391.4173.1-78.5152.7000110.6L1236L1234-L1236 PolarHBondContact O-N 3.39Å
1235S20.2Very low24.8Very low101 Ų101148 Ų14871%0.70678%0.782SS**  trans-73.9101168.957.30000108R1233 S1237R1233-S1235 VanDerWaalsContact C-N 3.32Å; R1233-S1235 PolarHBondContact O-N 3.27Å; S1235-S1237 PolarHBondContact O-N 3.04Å
1236L21.6Very low25.1Very low149 Ų149146.3 Ų146.378%0.7878%0.777SS**  trans-73.571.2169.1-85148000109.3L1234L1234-L1236 PolarHBondContact O-N 3.39Å
1237S20.5Very low25.4Very low79 Ų79143.4 Ų143.455%0.55276%0.763SS**  trans-78.4128.5164.152.80000109.1S1235 I1239S1235-S1237 PolarHBondContact O-N 3.04Å; S1237-I1239 PolarHBondContact O-N 3.43Å
1238P25.4Very low25.8Very low117 Ų117140.9 Ų140.976%0.7676%0.755SS**  trans-75100.2172.730.2-29.2000108.5L1240P1238-L1240 PolarHBondContact O-N 2.6Å
1239I23.6Very low26Very low127 Ų127137.9 Ų137.965%0.65174%0.739SS**  trans-70105.1165-65.3171.1000106.3S1237 E1241S1237-I1239 PolarHBondContact O-N 3.43Å; I1239-E1241 HydrophobicContact CG2-CB 4.02Å; I1239-E1241 HydrophobicContact CG2-CG 3.62Å; I1239-E1241 PolarHBondContact O-N 3.45Å
1240L24.2Very low26.1Very low165 Ų165136 Ų13686%0.86473%0.725SS**  trans-74.792.4162.5-100.982.3000106.9P1238P1238-L1240 PolarHBondContact O-N 2.6Å
1241E25.1Very low26.5Very low158 Ų158131.2 Ų131.274%0.73871%0.711SS**  trans-120.8107.1165-81.8179.7179.600108.8I1239I1239-E1241 HydrophobicContact CG2-CB 4.02Å; I1239-E1241 HydrophobicContact CG2-CG 3.62Å; I1239-E1241 PolarHBondContact O-N 3.45Å
1242D26Very low26.7Very low153 Ų153129.9 Ų129.982%0.81870%0.703SS**  trans4294143.3-61.5-23.3000118.2
1243M26Very low27Very low182 Ų182128.7 Ų128.790%0.89768%0.683SS**  trans-145.5146144.2-84.2-52.9-90.200112.5
1244P29.7Very low27.4Very low93 Ų93122.2 Ų122.260%0.60466%0.659SS**  trans-87.7152.6-161.135.2-35.1000114.6V1246P1244-V1246 PolarHBondContact O-N 3.41Å; P1244-V1246 VanDerWaalsContact O-N 3.15Å
1245E30Very low27.7Very low198 Ų198120.1 Ų120.193%0.92565%0.645SS**  trans57.426.6149.5-64.5-175.8177.200119.8
1246V28.9Very low28.1Very low114 Ų114116.9 Ų116.969%0.69162%0.622SS**SBendtrans-91.3113.3156.7-175.40000108.1P1244P1244-V1246 PolarHBondContact O-N 3.41Å; P1244-V1246 VanDerWaalsContact O-N 3.15Å
1247N35.8Very low28.7Very low112 Ų112111.4 Ų111.460%0.59959%0.593SS**  trans-35.6119.7-176.9-136.7-2.7000111.9D1249 H1250N1247-D1249 PolarHBondContact O-N 3.04Å; N1247-H1250 PolarHBondContact O-N 3.15Å; N1247-H1250 VanDerWaalsContact O-N 3.13Å
1248P32.4Very low29.1Very low89 Ų89112 Ų11258%0.57859%0.586SS**THydrogen-bonded Turntrans-57.6-20.4-169.317.6-29.7000114.3H1250 S1251P1248-H1250 PolarHBondContact O-N 3.13Å; P1248-S1251 PolarHBondContact O-N 2.97Å; P1248-S1251 PolarHBondContact O-OG 3.14Å
1249D31.9Very low29.3Very low79 Ų79111.1 Ų111.142%0.42257%0.572SS.*Hα-helixtrans-60.4-27177.9-63.9-18.1000113.8N1247N1247-D1249 PolarHBondContact O-N 3.04Å
1250H30.5Very low29.6Very low108 Ų108110.4 Ų110.450%0.557%0.569SS.*Hα-helixtrans-81.2-24.3178.8-91.1-74.8000114N1247 P1248 L1252 K1253 Y1254N1247-H1250 PolarHBondContact O-N 3.15Å; N1247-H1250 VanDerWaalsContact O-N 3.13Å; P1248-H1250 PolarHBondContact O-N 3.13Å; H1250-L1252 VanDerWaalsContact C-N 3.35Å; H1250-K1253 PolarHBondContact O-N 2.94Å; H1250-Y1254 WeakPolarHBondContact O-CD2 3.5Å
1251S32.1Very low29.8Very low75 Ų75105.7 Ų105.752%0.52454%0.544SS..Hα-helixtrans-70.3-33.8177.675.30000112P1248 K1253 Y1254 Q1255P1248-S1251 PolarHBondContact O-N 2.97Å; P1248-S1251 PolarHBondContact O-OG 3.14Å; S1251-K1253 VanDerWaalsContact C-N 3.28Å; S1251-K1253 PolarHBondContact O-N 3.36Å; S1251-Y1254 PolarHBondContact O-N 3.4Å; S1251-Q1255 PolarHBondContact O-N 2.7Å
1252L30Very low29.8Very low104 Ų104101.6 Ų101.655%0.54553%0.525SS..Hα-helixtrans-64.3-32.1176.2-72.9165.7000112.2H1250 Y1254 Q1255 S1256H1250-L1252 VanDerWaalsContact C-N 3.35Å; L1252-Y1254 VanDerWaalsContact C-N 3.28Å; L1252-Y1254 PolarHBondContact O-N 3.48Å; L1252-Q1255 PolarHBondContact O-N 2.76Å; L1252-S1256 PolarHBondContact O-N 2.89Å; L1252-S1256 VanDerWaalsContact O-N 3.08Å; L1252-S1256 PolarHBondContact O-OG 2.94Å
1253K29.2Very low29.9Very low94 Ų9495.9 Ų95.941%0.40950%0.496SS..Hα-helixtrans-65.5-26175.8-86.6-176.4174.1178.90114H1250 S1251 S1256H1250-K1253 PolarHBondContact O-N 2.94Å; S1251-K1253 VanDerWaalsContact C-N 3.28Å; S1251-K1253 PolarHBondContact O-N 3.36Å; K1253-S1256 WeakPolarHBondContact CA-OG 3.25Å; K1253-S1256 PolarHBondContact O-OG 3.26Å
1254Y30.1Very low30.1Very low98 Ų9892.1 Ų92.138%0.38448%0.478SS..Hα-helixtrans-80.9-35.4175.4-74.6-76.1000111.6H1250 S1251 L1252 S1256 I1257 C1293H1250-Y1254 WeakPolarHBondContact O-CD2 3.5Å; S1251-Y1254 PolarHBondContact O-N 3.4Å; L1252-Y1254 VanDerWaalsContact C-N 3.28Å; L1252-Y1254 PolarHBondContact O-N 3.48Å; Y1254-S1256 VanDerWaalsContact C-N 3.29Å; Y1254-S1256 PolarHBondContact O-N 2.78Å; Y1254-I1257 PolarHBondContact O-N 3.11Å; Y1254-C1293 HydrophobicContact CD1-CB 4.45Å; Y1254-C1293 VanDerWaalsContact CD1-SG 3.53Å
1255Q28Very low30.4Very low128 Ų12892.7 Ų92.760%0.59849%0.485SS*.Hα-helixtrans-63.1-35.7171.8-82.8-176.3-18.300111.9S1251 L1252 I1257 F1258 Q1259S1251-Q1255 PolarHBondContact O-N 2.7Å; L1252-Q1255 PolarHBondContact O-N 2.76Å; Q1255-I1257 VanDerWaalsContact C-N 3.29Å; Q1255-I1257 PolarHBondContact O-N 3.44Å; Q1255-F1258 PolarHBondContact O-N 3.08Å; Q1255-Q1259 WeakPolarHBondContact O-CG 3.37Å; Q1255-Q1259 PolarHBondContact O-N 2.66Å
1256S28.6Very low31Very low32 Ų3287.1 Ų87.122%0.22446%0.457CS..Hα-helixtrans-69.3-20.1179.857.50000114.6L1252 K1253 Y1254 Q1259 L1260L1252-S1256 PolarHBondContact O-N 2.89Å; L1252-S1256 VanDerWaalsContact O-N 3.08Å; L1252-S1256 PolarHBondContact O-OG 2.94Å; K1253-S1256 WeakPolarHBondContact CA-OG 3.25Å; K1253-S1256 PolarHBondContact O-OG 3.26Å; Y1254-S1256 VanDerWaalsContact C-N 3.29Å; Y1254-S1256 PolarHBondContact O-N 2.78Å; S1256-Q1259 VanDerWaalsContact C-N 3.35Å; S1256-Q1259 CarbonylContact O-C 3.33Å; S1256-Q1259 VanDerWaalsContact O-CA 3.22Å; S1256-Q1259 WeakPolarHBondContact O-CA 3.44Å; S1256-Q1259 WeakPolarHBondContact O-CB 3.36Å; S1256-Q1259 PolarHBondContact O-N 2.85Å; S1256-L1260 PolarHBondContact O-N 2.68Å
1257I34.2Very low32Very low35 Ų3582.6 Ų82.618%0.17943%0.43CS..Hα-helixtrans-74.9-38.9173.2-63.2166.5000110.7Y1254 Q1255 Q1259 L1260 L1289 N1404Y1254-I1257 PolarHBondContact O-N 3.11Å; Q1255-I1257 VanDerWaalsContact C-N 3.29Å; Q1255-I1257 PolarHBondContact O-N 3.44Å; I1257-Q1259 PolarHBondContact O-N 2.91Å; I1257-L1260 PolarHBondContact O-N 3.3Å; I1257-L1289 HydrophobicContact CG2-CD1 4.46Å; I1257-N1404 WeakPolarHBondContact CD1-ND2 3.42Å
1258F30.4Very low33.4Very low92 Ų9281.4 Ų81.440%0.40442%0.417SS..Hα-helixtrans-65.6-17.6165.3-72-77.6000111.4Q1255 L1260 N1261 L1290Q1255-F1258 PolarHBondContact O-N 3.08Å; F1258-L1260 VanDerWaalsContact C-N 3.3Å; F1258-L1260 PolarHBondContact O-N 3.22Å; F1258-N1261 PolarHBondContact O-N 2.82Å; F1258-L1290 HydrophobicContact CZ-CD2 4.28Å
1259Q28.6Very low35.5Very low98 Ų9877.3 Ų77.346%0.45839%0.391SS..THydrogen-bonded Turntrans-72.6-9.7169.1-61.6-177.7-13.400116.6Q1255 S1256 I1257 N1261 H1262 V1263Q1255-Q1259 WeakPolarHBondContact O-CG 3.37Å; Q1255-Q1259 PolarHBondContact O-N 2.66Å; S1256-Q1259 VanDerWaalsContact C-N 3.35Å; S1256-Q1259 CarbonylContact O-C 3.33Å; S1256-Q1259 VanDerWaalsContact O-CA 3.22Å; S1256-Q1259 WeakPolarHBondContact O-CA 3.44Å; S1256-Q1259 WeakPolarHBondContact O-CB 3.36Å; S1256-Q1259 PolarHBondContact O-N 2.85Å; I1257-Q1259 PolarHBondContact O-N 2.91Å; Q1259-N1261 PolarHBondContact O-N 3.41Å; Q1259-H1262 HydrophobicContact CB-CB 3.6Å; Q1259-H1262 HydrophobicContact CG-CB 3.6Å; Q1259-H1262 CarbonylContact O-C 3.39Å; Q1259-H1262 WeakPolarHBondContact O-CA 3.21Å; Q1259-H1262 WeakPolarHBondContact O-CB 3.22Å; Q1259-H1262 PolarHBondContact O-N 3.46Å; Q1259-V1263 PolarHBondContact O-N 3.04Å
1260L30Very low37.7Very low111 Ų11174 Ų7458%0.58137%0.373SS*.THydrogen-bonded Turntrans-60.8-27.8167.6-11595.1000111.8S1256 I1257 F1258S1256-L1260 PolarHBondContact O-N 2.68Å; I1257-L1260 PolarHBondContact O-N 3.3Å; F1258-L1260 VanDerWaalsContact C-N 3.3Å; F1258-L1260 PolarHBondContact O-N 3.22Å
1261N28.9Very low40Very low66 Ų6669.3 Ų69.335%0.35335%0.352SS..THydrogen-bonded Turntrans-90.3-15.5168.5-74.6-10.7000113.5G1210 F1258 Q1259 V1263 R1268G1210-N1261 PolarHBondContact O-ND2 3.07Å; F1258-N1261 PolarHBondContact O-N 2.82Å; Q1259-N1261 PolarHBondContact O-N 3.41Å; N1261-V1263 PolarHBondContact O-N 2.99Å; N1261-R1268 PolarHBondContact O-NH2 2.94Å
1262H25Very low42.2Very low72 Ų7267.1 Ų67.133%0.33334%0.335SS..  trans-82.39.3177.1-145.6-45.1000112.7R1218 Q1259 I1264R1218-H1262 PolarHBondContact NH2-CE1 3.45Å; R1218-H1262 PolarHBondContact NH2-NE2 3.2Å; Q1259-H1262 HydrophobicContact CB-CB 3.6Å; Q1259-H1262 HydrophobicContact CG-CB 3.6Å; Q1259-H1262 CarbonylContact O-C 3.39Å; Q1259-H1262 WeakPolarHBondContact O-CA 3.21Å; Q1259-H1262 WeakPolarHBondContact O-CB 3.22Å; Q1259-H1262 PolarHBondContact O-N 3.46Å; H1262-I1264 PolarHBondContact O-N 3.35Å
1263V28.2Very low44.5Very low33 Ų3364.9 Ų64.920%0.232%0.319CS..THydrogen-bonded Turntrans-66.549.7154.4-165.60000110.5I499 Q1259 N1261 S1265 K1266 R1268I499-V1263 HydrophobicContact CD1-CG1 3.63Å; I499-V1263 HydrophobicContact CG1-CG1 4.22Å; I499-V1263 HydrophobicContact CG2-CG1 4.26Å; Q1259-V1263 PolarHBondContact O-N 3.04Å; N1261-V1263 PolarHBondContact O-N 2.99Å; V1263-S1265 VanDerWaalsContact C-N 3.32Å; V1263-K1266 HydrophobicContact CG1-CB 3.53Å; V1263-K1266 HydrophobicContact CG1-CD 4.34Å; V1263-K1266 HydrophobicContact CG1-CG 4.08Å; V1263-R1268 PolarHBondContact O-NE 3.47Å
1264I29.8Very low46.8Very low103 Ų10361.7 Ų61.753%0.52831%0.306SS..THydrogen-bonded Turntrans-85-13.9168.4-61.9176.3000109.4H1262H1262-I1264 PolarHBondContact O-N 3.35Å
1265S35.5Very low49.1Very low106 Ų10657.3 Ų57.374%0.74129%0.29SS*.SBendtrans-90.2-27.8175.157.10000114.7V1263V1263-S1265 VanDerWaalsContact C-N 3.32Å
1266K43.7Very low51.4Low81 Ų8153.8 Ų53.835%0.35228%0.279SS..SBendtrans-81.3141.6173.6-68.4-170.8173.4-175.50110.9I499 V1263 R1268I499-K1266 HydrophobicContact CG1-CB 4.42Å; I499-K1266 HydrophobicContact CG1-CD 4.3Å; I499-K1266 HydrophobicContact CG2-CD 4.24Å; V1263-K1266 HydrophobicContact CG1-CB 3.53Å; V1263-K1266 HydrophobicContact CG1-CD 4.34Å; V1263-K1266 HydrophobicContact CG1-CG 4.08Å; K1266-R1268 PolarHBondContact O-N 2.93Å; K1266-R1268 VanDerWaalsContact O-N 3.12Å
1267P50Low53.4Low18 Ų1855 Ų5512%0.11728%0.28CS..  trans-72.4111.2-17829.9-35.1000111.5A496 S575A496-P1267 HydrophobicContact CB-CG 4.1Å; S575-P1267 VanDerWaalsContact CB-CG 3.45Å
1268R63.7Low55.2Low88 Ų8855.4 Ų55.433%0.33228%0.282SS..  trans-72.7134.8-179.8-51.3176-178.7-176.7-4.4111.3K1158 N1261 V1263 K1266 D1272K1158-R1268 HydrophobicContact CD-CB 3.34Å; K1158-R1268 HydrophobicContact CD-CG 4.4Å; N1261-R1268 PolarHBondContact O-NH2 2.94Å; V1263-R1268 PolarHBondContact O-NE 3.47Å; K1266-R1268 PolarHBondContact O-N 2.93Å; K1266-R1268 VanDerWaalsContact O-N 3.12Å; R1268-D1272 WeakPolarHBondContact CA-OD2 3.47Å; R1268-D1272 WeakPolarHBondContact CB-OD2 3.42Å
1269S77.9Confident57.8Low3 Ų351 Ų512%0.02126%0.263CS..  trans-114.9168.3-163.6-179.50000112.3F494 A496 C1271 D1272F494-S1269 WeakPolarHBondContact O-CA 3.4Å; F494-S1269 PolarHBondContact O-OG 3.11Å; A496-S1269 PolarHBondContact N-OG 3.5Å; A496-S1269 VanDerWaalsContact N-OG 3.1Å; A496-S1269 VanDerWaalsContact O-CB 3.26Å; A496-S1269 WeakPolarHBondContact O-CB 3.26Å; A496-S1269 PolarHBondContact O-OG 2.95Å; S1269-C1271 PolarHBondContact O-N 2.91Å; S1269-C1271 PolarHBondContact OG-N 2.83Å; S1269-C1271 PolarHBondContact OG-SG 3.46Å; S1269-C1271 VanDerWaalsContact OG-SG 3.4Å; S1269-D1272 PolarHBondContact N-OD2 2.82Å; S1269-D1272 WeakPolarHBondContact O-CB 3.49Å; S1269-D1272 PolarHBondContact O-N 3.28Å
1270V77.8Confident60.6Low8 Ų846.4 Ų46.45%0.04824%0.241CC..THydrogen-bonded Turntrans-59.1-22.6165.6178.30000112.2L493 F494 H1093 R1157 D1272L493-V1270 HydrophobicContact CB-CG2 3.83Å; L493-V1270 HydrophobicContact CD1-CG2 3.95Å; L493-V1270 HydrophobicContact CD2-CG2 3.61Å; L493-V1270 HydrophobicContact CG-CG2 3.99Å; F494-V1270 WeakPolarHBondContact O-CG2 3.36Å; F494-V1270 PolarHBondContact O-N 3.28Å; H1093-V1270 HydrophobicContact CB-CG1 4.44Å; R1157-V1270 HydrophobicContact CB-CG1 4.34Å; R1157-V1270 VanDerWaalsContact CD-O 3.3Å; R1157-V1270 WeakPolarHBondContact CD-O 3.12Å; R1157-V1270 HydrophobicContact CG-CG1 4.38Å; R1157-V1270 WeakPolarHBondContact CG-O 3.45Å; V1270-D1272 PolarHBondContact O-N 3.29Å
1271C79.1Confident63.2Low10 Ų1041.3 Ų41.37%0.06821%0.214CC..THydrogen-bonded Turntrans-63.3-27.6173-54.60000112.1A496 P498 P954 H1093 R1157 S1269 R1273A496-C1271 PolarHBondContact O-SG 3.18Å; A496-C1271 VanDerWaalsContact O-SG 3.36Å; P498-C1271 HydrophobicContact CB-CB 4.32Å; P954-C1271 WeakPolarHBondContact CB-SG 3.38Å; H1093-C1271 VanDerWaalsContact CD2-SG 3.6Å; R1157-C1271 PolarHBondContact NH1-O 3.41Å; S1269-C1271 PolarHBondContact O-N 2.91Å; S1269-C1271 PolarHBondContact OG-N 2.83Å; S1269-C1271 PolarHBondContact OG-SG 3.46Å; S1269-C1271 VanDerWaalsContact OG-SG 3.4Å; C1271-R1273 PolarHBondContact O-N 3.05Å
1272D78.1Confident65.9Low30 Ų3040.5 Ų40.516%0.1621%0.209CC..SBendtrans-78.2120.7-176.7-58.2-30.9000110.6K1158 R1268 S1269 V1270K1158-D1272 PolarHBondContact N-O 3.23Å; K1158-D1272 VanDerWaalsContact N-O 3.15Å; R1268-D1272 WeakPolarHBondContact CA-OD2 3.47Å; R1268-D1272 WeakPolarHBondContact CB-OD2 3.42Å; S1269-D1272 PolarHBondContact N-OD2 2.82Å; S1269-D1272 WeakPolarHBondContact O-CB 3.49Å; S1269-D1272 PolarHBondContact O-N 3.28Å; V1270-D1272 PolarHBondContact O-N 3.29Å
1273R78.3Confident68.8Low57 Ų5737.2 Ų37.222%0.21519%0.194CC..BIsolated β-bridgetrans-72.9139.9170.8-62.6-175.6-172.6121.911.1109.5D1088 E1091 P1154 C1271 I1275 K1277D1088-R1273 IonicContact OD1-CZ 3.16Å; D1088-R1273 IonicContact OD1-NH1 3.59Å; D1088-R1273 IonicContact OD1-NH2 3.8Å; D1088-R1273 PolarHBondContact OD1-NH2 3.26Å; D1088-R1273 IonicContact OD2-CZ 3.96Å; D1088-R1273 IonicContact OD2-NH1 3.83Å; D1088-R1273 PolarHBondContact OD2-NH1 3.4Å; D1088-R1273 IonicContact OD2-NH2 3.4Å; D1088-R1273 PolarHBondContact OD2-NH2 3.18Å; D1088-R1273 VanDerWaalsContact OD2-NH2 3.16Å; E1091-R1273 IonicContact OE1-CZ 3.42Å; E1091-R1273 IonicContact OE1-NH2 3.64Å; E1091-R1273 PolarHBondContact OE1-NH2 2.93Å; E1091-R1273 IonicContact OE2-CZ 2.64Å; E1091-R1273 IonicContact OE2-NE 3.47Å; E1091-R1273 IonicContact OE2-NH2 3.67Å; E1091-R1273 PolarHBondContact OE2-NH2 2.94Å; P1154-R1273 WeakPolarHBondContact O-CD 3.29Å; C1271-R1273 PolarHBondContact O-N 3.05Å; R1273-I1275 VanDerWaalsContact C-N 3.26Å; R1273-I1275 WeakPolarHBondContact CB-O 3.4Å; R1273-K1277 VanDerWaalsContact NH1-CE 3.3Å; R1273-K1277 VanDerWaalsContact NH2-CE 3.33Å
1274L77.5Confident71.5Confident26 Ų2635.9 Ų35.914%0.13619%0.185CC..SBendtrans-71.6-26.6172.7-72.3178.5000112.6L1156 R1157 K1158 Q1160 E1161 R1164L1156-L1274 HydrophobicContact CB-CD1 4.28Å; L1156-L1274 PolarHBondContact O-N 2.98Å; R1157-L1274 WeakPolarHBondContact O-CD1 3.24Å; R1157-L1274 WeakPolarHBondContact O-CG 3.17Å; K1158-L1274 HydrophobicContact CB-CD2 4.46Å; Q1160-L1274 HydrophobicContact CB-CD1 4.05Å; E1161-L1274 HydrophobicContact CG-CD1 4.28Å; E1161-L1274 HydrophobicContact CG-CD2 3.82Å; R1164-L1274 HydrophobicContact CB-CD1 4.16Å
1275I78.9Confident74Confident6 Ų631.8 Ų31.83%0.03116%0.164CC..SBendtrans-134.7134.3-172.9-67.4177.5000108.6L1153 R1164 I1168 L1207 R1273 W1279L1153-I1275 HydrophobicContact CD1-CD1 3.34Å; L1153-I1275 HydrophobicContact CD2-CD1 3.99Å; L1153-I1275 HydrophobicContact CG-CD1 3.44Å; L1153-I1275 VanDerWaalsContact CG-CD1 3.44Å; L1153-I1275 HydrophobicContact CG-CG2 4.5Å; R1164-I1275 HydrophobicContact CG-CD1 3.56Å; R1164-I1275 HydrophobicContact CG-CG1 4.28Å; I1168-I1275 HydrophobicContact CD1-CD1 4.25Å; L1207-I1275 HydrophobicContact CD2-CG2 4.37Å; R1273-I1275 VanDerWaalsContact C-N 3.26Å; R1273-I1275 WeakPolarHBondContact CB-O 3.4Å; I1275-W1279 HydrophobicContact CG2-CB 3.33Å; I1275-W1279 HydrophobicContact CG2-CG 3.78Å
1276S76.2Confident76.1Confident55 Ų5529 Ų2939%0.38514%0.14SC..  trans-66.2150.5174.9176.20000111.3E1278 W1279S1276-E1278 PolarHBondContact O-N 3.3Å; S1276-E1278 VanDerWaalsContact O-N 3.15Å; S1276-E1278 PolarHBondContact OG-N 3.25Å; S1276-W1279 VanDerWaalsContact O-CB 3.32Å; S1276-W1279 WeakPolarHBondContact O-CB 3.29Å; S1276-W1279 PolarHBondContact O-N 3.03Å; S1276-W1279 VanDerWaalsContact O-N 3.09Å
1277K70.3Confident77.7Confident56 Ų5626 Ų2624%0.24313%0.13CC..THydrogen-bonded Turntrans-57.7-27.2170.9-73.1176.7172.4162.50111.7D1088 E1091 R1273 W1279D1088-K1277 IonicContact OD1-NZ 3.73Å; D1088-K1277 PolarHBondContact OD1-NZ 3.47Å; E1091-K1277 IonicContact OE1-NZ 2.95Å; E1091-K1277 PolarHBondContact OE1-NZ 3.47Å; R1273-K1277 VanDerWaalsContact NH1-CE 3.3Å; R1273-K1277 VanDerWaalsContact NH2-CE 3.33Å; K1277-W1279 VanDerWaalsContact C-N 3.31Å; K1277-W1279 PolarHBondContact O-N 3.09Å
1278E72Confident79.1Confident45 Ų4525.3 Ų25.321%0.2113%0.125CC..THydrogen-bonded Turntrans-91.620.1179.8-54.7-172.9-16400113.6S1276 V1280 Y1281 M1282 I1285 R1347S1276-E1278 PolarHBondContact O-N 3.3Å; S1276-E1278 VanDerWaalsContact O-N 3.15Å; S1276-E1278 PolarHBondContact OG-N 3.25Å; E1278-V1280 PolarHBondContact O-N 3.18Å; E1278-Y1281 PolarHBondContact O-N 3.06Å; E1278-M1282 HydrophobicContact CB-CE 4.13Å; E1278-M1282 PolarHBondContact O-N 3.46Å; E1278-I1285 HydrophobicContact CB-CD1 4.31Å; E1278-I1285 WeakPolarHBondContact OE2-CD1 3.23Å; E1278-R1347 VanDerWaalsContact CD-NH2 3.29Å; E1278-R1347 IonicContact OE1-CZ 3.73Å; E1278-R1347 IonicContact OE1-NE 3.56Å; E1278-R1347 IonicContact OE1-NH2 2.83Å; E1278-R1347 PolarHBondContact OE1-NH2 3.14Å; E1278-R1347 IonicContact OE2-CZ 2.8Å; E1278-R1347 IonicContact OE2-NE 2.77Å; E1278-R1347 PolarHBondContact OE2-NE 3.01Å; E1278-R1347 IonicContact OE2-NH2 3.68Å; E1278-R1347 PolarHBondContact OE2-NH2 2.92Å
1279W84.4Confident79.6Confident0 Ų023.1 Ų23.10%012%0.12CC..G310 helixtrans-52.8-32.9-174.969.8-91000114.1L1150 L1153 Y1203 L1207 I1275 S1276 K1277 Y1281 M1282 W1317 L1321L1150-W1279 HydrophobicContact CD2-CH2 3.66Å; L1150-W1279 HydrophobicContact CD2-CZ2 3.87Å; L1153-W1279 HydrophobicContact CD2-CD2 3.85Å; L1153-W1279 HydrophobicContact CD2-CE3 4.1Å; L1153-W1279 HydrophobicContact CD2-CG 4.39Å; L1153-W1279 HydrophobicContact CD2-CH2 4.17Å; L1153-W1279 HydrophobicContact CD2-CZ2 3.95Å; L1153-W1279 HydrophobicContact CD2-CZ3 4.25Å; Y1203-W1279 HydrophobicContact CD1-CE3 4.19Å; Y1203-W1279 HydrophobicContact CD1-CZ3 4.25Å; Y1203-W1279 HydrophobicContact CE1-CE3 4.14Å; Y1203-W1279 HydrophobicContact CE1-CZ3 4.21Å; L1207-W1279 HydrophobicContact CD1-CE3 3.87Å; L1207-W1279 HydrophobicContact CD1-CZ3 4.46Å; L1207-W1279 HydrophobicContact CD2-CB 3.8Å; I1275-W1279 HydrophobicContact CG2-CB 3.33Å; I1275-W1279 HydrophobicContact CG2-CG 3.78Å; S1276-W1279 VanDerWaalsContact O-CB 3.32Å; S1276-W1279 WeakPolarHBondContact O-CB 3.29Å; S1276-W1279 PolarHBondContact O-N 3.03Å; S1276-W1279 VanDerWaalsContact O-N 3.09Å; K1277-W1279 VanDerWaalsContact C-N 3.31Å; K1277-W1279 PolarHBondContact O-N 3.09Å; W1279-Y1281 PolarHBondContact O-N 3.49Å; W1279-M1282 WeakPolarHBondContact O-CB 3.33Å; W1279-M1282 PolarHBondContact O-N 3.37Å; W1279-W1317 AromaticContact CH2-NE1 3.87Å; W1279-W1317 AromaticContact CZ3-NE1 3.82Å; W1279-L1321 HydrophobicContact CH2-CD1 4.42Å
1280V86.7Confident79.5Confident1 Ų125.2 Ų25.21%0.00613%0.13CC..G310 helixtrans-57.5-38.2177177.30000111.2Y1203 E1278 I1318 L1321 F1338Y1203-V1280 PolarHBondContact OH-O 2.94Å; E1278-V1280 PolarHBondContact O-N 3.18Å; V1280-I1318 HydrophobicContact CG1-CG1 3.85Å; V1280-L1321 HydrophobicContact CB-CD1 4.45Å; V1280-L1321 HydrophobicContact CG1-CD1 3.77Å; V1280-L1321 HydrophobicContact CG2-CD1 3.8Å; V1280-F1338 HydrophobicContact CG2-CD2 3.73Å; V1280-F1338 HydrophobicContact CG2-CE2 4.11Å; V1280-F1338 HydrophobicContact CG2-CG 4.49Å
1281Y86.2Confident79.3Confident4 Ų426.3 Ų26.32%0.01614%0.138CC..G310 helixtrans-98.30.5-175.9-59.9-62.9000114.2E1278 W1279 P1283 F1284 I1285 I1318 M1339 S1344 R1347E1278-Y1281 PolarHBondContact O-N 3.06Å; W1279-Y1281 PolarHBondContact O-N 3.49Å; Y1281-P1283 VanDerWaalsContact C-CD 3.41Å; Y1281-P1283 VanDerWaalsContact C-N 3.32Å; Y1281-F1284 WeakPolarHBondContact O-CB 3.37Å; Y1281-F1284 PolarHBondContact O-N 2.91Å; Y1281-I1285 PolarHBondContact O-N 3.18Å; Y1281-I1285 VanDerWaalsContact O-N 3.09Å; Y1281-I1318 HydrophobicContact CD1-CD1 3.78Å; Y1281-I1318 HydrophobicContact CD1-CG1 4.43Å; Y1281-I1318 HydrophobicContact CE1-CD1 3.79Å; Y1281-I1318 HydrophobicContact CE1-CG1 4.17Å; Y1281-I1318 HydrophobicContact CE1-CG2 4.27Å; Y1281-M1339 HydrophobicContact CE1-CE 4.5Å; Y1281-M1339 WeakPolarHBondContact OH-CE 3.32Å; Y1281-S1344 WeakPolarHBondContact OH-CB 3.03Å; Y1281-S1344 PolarHBondContact OH-OG 2.99Å; Y1281-R1347 HydrophobicContact CD1-CB 3.79Å; Y1281-R1347 HydrophobicContact CD1-CG 4.47Å; Y1281-R1347 HydrophobicContact CD2-CB 4.13Å; Y1281-R1347 HydrophobicContact CD2-CG 3.98Å; Y1281-R1347 HydrophobicContact CE1-CB 4.44Å; Y1281-R1347 HydrophobicContact CG-CB 3.61Å; Y1281-R1347 HydrophobicContact CG-CG 3.79Å
1282M84Confident78.9Confident48 Ų4829.7 Ų29.724%0.23615%0.152CC..Hα-helixtrans-51.8-41.6-179.2-78.7-71.114000114.2E1278 W1279 F1284 I1285 H1286E1278-M1282 HydrophobicContact CB-CE 4.13Å; E1278-M1282 PolarHBondContact O-N 3.46Å; W1279-M1282 WeakPolarHBondContact O-CB 3.33Å; W1279-M1282 PolarHBondContact O-N 3.37Å; M1282-F1284 PolarHBondContact O-N 3.46Å; M1282-I1285 HydrophobicContact CE-CD1 3.86Å; M1282-I1285 PolarHBondContact O-N 2.91Å; M1282-H1286 WeakPolarHBondContact O-CB 3.49Å; M1282-H1286 PolarHBondContact O-N 3.23Å
1283P86.1Confident78.3Confident4 Ų430.4 Ų30.43%0.02616%0.159CC..Hα-helixtrans-56.3-37.1175.8-23.931.2000113.6L1202 Y1203 E1206 Y1281 A1287 C1314L1202-P1283 HydrophobicContact CD1-CB 4.38Å; L1202-P1283 HydrophobicContact CD2-CB 4.23Å; L1202-P1283 HydrophobicContact CD2-CG 4.14Å; L1202-P1283 HydrophobicContact CG-CB 4.49Å; L1202-P1283 HydrophobicContact CG-CG 4.25Å; Y1203-P1283 HydrophobicContact CD1-CG 4.47Å; Y1203-P1283 HydrophobicContact CE1-CG 3.9Å; Y1203-P1283 HydrophobicContact CE2-CG 4.47Å; E1206-P1283 HydrophobicContact CG-CG 4.11Å; Y1281-P1283 VanDerWaalsContact C-CD 3.41Å; Y1281-P1283 VanDerWaalsContact C-N 3.32Å; P1283-A1287 WeakPolarHBondContact O-CB 3.41Å; P1283-A1287 PolarHBondContact O-N 3.3Å; P1283-C1314 HydrophobicContact CB-CB 4.13Å; P1283-C1314 HydrophobicContact CG-CB 4.4Å
1284F86.3Confident77.4Confident4 Ų432 Ų322%0.01817%0.168CC..Hα-helixtrans-76.2-40.4178.5-78.6-3.8000112.7Y1281 M1282 Y1288 C1314 L1315 I1318 L1348 L1361Y1281-F1284 WeakPolarHBondContact O-CB 3.37Å; Y1281-F1284 PolarHBondContact O-N 2.91Å; M1282-F1284 PolarHBondContact O-N 3.46Å; F1284-Y1288 VanDerWaalsContact O-CB 3.29Å; F1284-Y1288 WeakPolarHBondContact O-CB 3.4Å; F1284-Y1288 PolarHBondContact O-N 3.37Å; F1284-C1314 HydrophobicContact CD1-CB 4.34Å; F1284-C1314 HydrophobicContact CE1-CB 3.98Å; F1284-C1314 HydrophobicContact CZ-CB 4.49Å; F1284-L1315 HydrophobicContact CE2-CD2 3.95Å; F1284-L1315 HydrophobicContact CE2-CG 4.48Å; F1284-L1315 HydrophobicContact CZ-CD1 4.42Å; F1284-L1315 HydrophobicContact CZ-CD2 3.72Å; F1284-L1315 HydrophobicContact CZ-CG 3.77Å; F1284-I1318 HydrophobicContact CE2-CD1 4.38Å; F1284-L1348 HydrophobicContact CD2-CD2 4.39Å; F1284-L1348 HydrophobicContact CE2-CD2 3.77Å; F1284-L1361 HydrophobicContact CZ-CD1 4.32Å
1285I81.1Confident76.3Confident17 Ų1740.3 Ų40.39%0.08720%0.202CC..Hα-helixtrans-62.7-46.4176.5-63.4164.8000109.9E1278 Y1281 M1282 Y1288 L1289 R1347 L1350 P1402E1278-I1285 HydrophobicContact CB-CD1 4.31Å; E1278-I1285 WeakPolarHBondContact OE2-CD1 3.23Å; Y1281-I1285 PolarHBondContact O-N 3.18Å; Y1281-I1285 VanDerWaalsContact O-N 3.09Å; M1282-I1285 HydrophobicContact CE-CD1 3.86Å; M1282-I1285 PolarHBondContact O-N 2.91Å; I1285-Y1288 WeakPolarHBondContact O-CB 3.45Å; I1285-Y1288 PolarHBondContact O-N 3Å; I1285-L1289 HydrophobicContact CG2-CD1 4.25Å; I1285-L1289 WeakPolarHBondContact O-CG 3.2Å; I1285-L1289 PolarHBondContact O-N 3.36Å; I1285-R1347 HydrophobicContact CD1-CG 4.32Å; I1285-R1347 HydrophobicContact CG1-CG 4.39Å; I1285-L1350 HydrophobicContact CG1-CD1 4.5Å; I1285-P1402 HydrophobicContact CG2-CG 4.26Å
1286H78.8Confident75Confident49 Ų4941.9 Ų41.923%0.22721%0.21CC..Hα-helixtrans-68.9-43.9179.7-169.8-178.8000112.1E1206 M1282 Y1288 L1289 L1290E1206-H1286 IonicContact OE1-ND1 3.87Å; E1206-H1286 IonicContact OE2-CE1 2.82Å; E1206-H1286 IonicContact OE2-CG 2.85Å; E1206-H1286 IonicContact OE2-ND1 2.62Å; E1206-H1286 PolarHBondContact OE2-ND1 2.65Å; M1282-H1286 WeakPolarHBondContact O-CB 3.49Å; M1282-H1286 PolarHBondContact O-N 3.23Å; H1286-Y1288 PolarHBondContact O-N 2.96Å; H1286-L1289 PolarHBondContact O-N 2.88Å; H1286-L1290 WeakPolarHBondContact O-CB 3.3Å; H1286-L1290 WeakPolarHBondContact O-CG 3.3Å; H1286-L1290 PolarHBondContact O-N 3.33Å
1287A78.9Confident73.9Confident18 Ų1844.9 Ų44.915%0.14922%0.222CC..Hα-helixtrans-55.9-42.7174.400000111.5P1283 L1290 S1291P1283-A1287 WeakPolarHBondContact O-CB 3.41Å; P1283-A1287 PolarHBondContact O-N 3.3Å; A1287-L1290 PolarHBondContact O-N 3.47Å; A1287-S1291 PolarHBondContact O-N 3.22Å
1288Y77.9Confident73.1Confident3 Ų348.1 Ų48.11%0.01224%0.238CC..Hα-helixtrans-62.6-51.2175.4-178.4-100.5000112.7F1284 I1285 H1286 L1290 S1291 K1292 L1350 I1353 F1405 L1411F1284-Y1288 VanDerWaalsContact O-CB 3.29Å; F1284-Y1288 WeakPolarHBondContact O-CB 3.4Å; F1284-Y1288 PolarHBondContact O-N 3.37Å; I1285-Y1288 WeakPolarHBondContact O-CB 3.45Å; I1285-Y1288 PolarHBondContact O-N 3Å; H1286-Y1288 PolarHBondContact O-N 2.96Å; Y1288-L1290 VanDerWaalsContact C-N 3.27Å; Y1288-L1290 PolarHBondContact O-N 3.2Å; Y1288-S1291 WeakPolarHBondContact O-CB 3.45Å; Y1288-S1291 PolarHBondContact O-N 3.05Å; Y1288-S1291 VanDerWaalsContact O-N 3.08Å; Y1288-S1291 PolarHBondContact O-OG 2.68Å; Y1288-K1292 HydrophobicContact CE1-CG 4.14Å; Y1288-K1292 HydrophobicContact CE2-CG 4.46Å; Y1288-K1292 VanDerWaalsContact CZ-CE 3.45Å; Y1288-K1292 PolarHBondContact O-N 3.46Å; Y1288-K1292 VanDerWaalsContact O-N 3.14Å; Y1288-K1292 WeakPolarHBondContact OH-CE 3.49Å; Y1288-L1350 HydrophobicContact CD1-CD2 3.5Å; Y1288-L1350 HydrophobicContact CD2-CB 4.44Å; Y1288-L1350 HydrophobicContact CD2-CD2 3.94Å; Y1288-L1350 WeakPolarHBondContact CD2-O 3.36Å; Y1288-L1350 HydrophobicContact CE1-CD2 3.53Å; Y1288-L1350 HydrophobicContact CE2-CD2 3.98Å; Y1288-L1350 HydrophobicContact CG-CB 4.26Å; Y1288-L1350 HydrophobicContact CG-CD2 3.68Å; Y1288-I1353 HydrophobicContact CD2-CB 4.41Å; Y1288-I1353 HydrophobicContact CD2-CG2 4.37Å; Y1288-I1353 HydrophobicContact CE2-CB 4.18Å; Y1288-I1353 HydrophobicContact CE2-CG2 3.83Å; Y1288-F1405 HydrophobicContact CE1-CD2 4.35Å; Y1288-F1405 AromaticContact CE1-CE2 3.74Å; Y1288-F1405 HydrophobicContact CE1-CE2 3.74Å; Y1288-F1405 HydrophobicContact CE1-CZ 4.47Å; Y1288-F1405 AromaticContact CZ-CE2 3.73Å; Y1288-F1405 WeakPolarHBondContact OH-CE2 3.28Å; Y1288-F1405 WeakPolarHBondContact OH-CZ 3.39Å; Y1288-L1411 HydrophobicContact CE2-CD1 4.36Å
1289L75.9Confident72.4Confident42 Ų4254.3 Ų54.322%0.2227%0.267CS..Hα-helixtrans-57.2-41177.7-70.4173.7000112I1257 I1285 H1286 S1291 K1292 C1293I1257-L1289 HydrophobicContact CG2-CD1 4.46Å; I1285-L1289 HydrophobicContact CG2-CD1 4.25Å; I1285-L1289 WeakPolarHBondContact O-CG 3.2Å; I1285-L1289 PolarHBondContact O-N 3.36Å; H1286-L1289 PolarHBondContact O-N 2.88Å; L1289-S1291 PolarHBondContact O-N 3.07Å; L1289-K1292 PolarHBondContact O-N 3.33Å; L1289-C1293 PolarHBondContact O-N 3.45Å; L1289-C1293 VanDerWaalsContact O-N 3.07Å; L1289-C1293 PolarHBondContact O-SG 3.07Å
1290L74.3Confident71.7Confident47 Ų4758.5 Ų58.525%0.24629%0.289CS..Hα-helixtrans-62.6-41.4175.4-73.3169.9000112.6F1258 H1286 A1287 Y1288 K1292 C1293 K1294F1258-L1290 HydrophobicContact CZ-CD2 4.28Å; H1286-L1290 WeakPolarHBondContact O-CB 3.3Å; H1286-L1290 WeakPolarHBondContact O-CG 3.3Å; H1286-L1290 PolarHBondContact O-N 3.33Å; A1287-L1290 PolarHBondContact O-N 3.47Å; Y1288-L1290 VanDerWaalsContact C-N 3.27Å; Y1288-L1290 PolarHBondContact O-N 3.2Å; L1290-K1292 VanDerWaalsContact C-N 3.28Å; L1290-K1292 PolarHBondContact O-N 3.48Å; L1290-C1293 PolarHBondContact O-N 3.2Å; L1290-K1294 PolarHBondContact O-N 3.41Å
1291S74.4Confident71.1Confident31 Ų3164.3 Ų64.322%0.21732%0.317CS..Hα-helixtrans-63.3-30.4177.476.10000113.3A1287 Y1288 L1289A1287-S1291 PolarHBondContact O-N 3.22Å; Y1288-S1291 WeakPolarHBondContact O-CB 3.45Å; Y1288-S1291 PolarHBondContact O-N 3.05Å; Y1288-S1291 VanDerWaalsContact O-N 3.08Å; Y1288-S1291 PolarHBondContact O-OG 2.68Å; L1289-S1291 PolarHBondContact O-N 3.07Å
1292K70.8Confident70.6Confident80 Ų8069.3 Ų69.335%0.34835%0.348SS..Hα-helixtrans-82.8-32.5176.3-67.2-67.1-171.8177.70112.7Y1288 L1289 L1290 D1414Y1288-K1292 HydrophobicContact CE1-CG 4.14Å; Y1288-K1292 HydrophobicContact CE2-CG 4.46Å; Y1288-K1292 VanDerWaalsContact CZ-CE 3.45Å; Y1288-K1292 PolarHBondContact O-N 3.46Å; Y1288-K1292 VanDerWaalsContact O-N 3.14Å; Y1288-K1292 WeakPolarHBondContact OH-CE 3.49Å; L1289-K1292 PolarHBondContact O-N 3.33Å; L1290-K1292 VanDerWaalsContact C-N 3.28Å; L1290-K1292 PolarHBondContact O-N 3.48Å; K1292-D1414 IonicContact NZ-OD2 2.9Å; K1292-D1414 PolarHBondContact NZ-OD2 3.3Å
1293C65.1Low70.2Confident46 Ų4668.8 Ų68.831%0.31134%0.343SS..Hα-helixtrans-72.3-40.6176.7-700000112.6Y1254 L1289 L1290Y1254-C1293 HydrophobicContact CD1-CB 4.45Å; Y1254-C1293 VanDerWaalsContact CD1-SG 3.53Å; L1289-C1293 PolarHBondContact O-N 3.45Å; L1289-C1293 VanDerWaalsContact O-N 3.07Å; L1289-C1293 PolarHBondContact O-SG 3.07Å; L1290-C1293 PolarHBondContact O-N 3.2Å
1294K59.1Low69.7Low91 Ų9171.7 Ų71.740%0.39635%0.354SS..  trans-97123.3-179-68.7-175.8174.1-172.40109.6L1290 I1296L1290-K1294 PolarHBondContact O-N 3.41Å; K1294-I1296 HydrophobicContact CB-CD1 3.41Å; K1294-I1296 VanDerWaalsContact CB-CD1 3.41Å; K1294-I1296 HydrophobicContact CB-CG1 3.58Å; K1294-I1296 HydrophobicContact CD-CD1 3.95Å; K1294-I1296 HydrophobicContact CD-CG1 3.83Å; K1294-I1296 HydrophobicContact CG-CD1 4.29Å; K1294-I1296 HydrophobicContact CG-CG1 4.37Å; K1294-I1296 PolarHBondContact O-N 2.8Å
1295K54.4Low69.5Low199 Ų19977.1 Ų77.187%0.86538%0.377SS*.  trans-70.473.2150.1-70.9-176.9-180178.70106.8N1297K1295-N1297 PolarHBondContact O-N 3.4Å
1296I52.6Low69.5Low39 Ų3980.8 Ų80.820%0.240%0.396CS..  trans-59.9125.3173.2-70.9115.6000106.2K1294 E1298 Y1303K1294-I1296 HydrophobicContact CB-CD1 3.41Å; K1294-I1296 VanDerWaalsContact CB-CD1 3.41Å; K1294-I1296 HydrophobicContact CB-CG1 3.58Å; K1294-I1296 HydrophobicContact CD-CD1 3.95Å; K1294-I1296 HydrophobicContact CD-CG1 3.83Å; K1294-I1296 HydrophobicContact CG-CD1 4.29Å; K1294-I1296 HydrophobicContact CG-CG1 4.37Å; K1294-I1296 PolarHBondContact O-N 2.8Å; I1296-E1298 PolarHBondContact O-N 2.89Å; I1296-Y1303 HydrophobicContact CB-CD1 4.45Å; I1296-Y1303 HydrophobicContact CB-CE1 4.23Å; I1296-Y1303 HydrophobicContact CD1-CD1 4.32Å; I1296-Y1303 HydrophobicContact CD1-CE1 3.37Å; I1296-Y1303 HydrophobicContact CD1-CE2 4.5Å; I1296-Y1303 VanDerWaalsContact CD1-CZ 3.48Å; I1296-Y1303 VanDerWaalsContact CD1-OH 3.31Å; I1296-Y1303 WeakPolarHBondContact CD1-OH 3.27Å; I1296-Y1303 HydrophobicContact CG1-CD1 4.1Å; I1296-Y1303 HydrophobicContact CG1-CE1 3.61Å; I1296-Y1303 HydrophobicContact CG2-CD1 3.7Å; I1296-Y1303 HydrophobicContact CG2-CE1 3.96Å; I1296-Y1303 HydrophobicContact CG2-CG 4.45Å
1297N52.9Low69.6Low119 Ų11979 Ų7964%0.63639%0.389SS*.  trans-56.4116.8165.9-72.4-15.4000106.1K1295 E1299 D1300K1295-N1297 PolarHBondContact O-N 3.4Å; N1297-E1299 PolarHBondContact O-N 3.11Å; N1297-D1300 PolarHBondContact O-N 3.42Å; N1297-D1300 VanDerWaalsContact O-N 3.14Å
1298E53.9Low69.9Low124 Ų12480.2 Ų80.258%0.57939%0.392SS*.THydrogen-bonded Turntrans-50.2-21.2-179-74.6-177.7174.200111.6I1296 D1300 R1304I1296-E1298 PolarHBondContact O-N 2.89Å; E1298-D1300 PolarHBondContact O-N 3.27Å; E1298-R1304 PolarHBondContact O-NE 3.31Å; E1298-R1304 PolarHBondContact O-NH2 2.95Å
1299E57.2Low70.3Confident175 Ų17584 Ų8482%0.81841%0.413SS*.THydrogen-bonded Turntrans-71.9-12.5-177.9-56.5-173.7167.600116.3N1297 E1301N1297-E1299 PolarHBondContact O-N 3.11Å; E1299-E1301 PolarHBondContact O-N 2.98Å
1300D69.8Low70.9Confident87 Ų8785.1 Ų85.147%0.46541%0.414SS..  trans-74.189.1179.7-84.9-23.4000112.6N1297 E1298 T1302 Y1303 R1304N1297-D1300 PolarHBondContact O-N 3.42Å; N1297-D1300 VanDerWaalsContact O-N 3.14Å; E1298-D1300 PolarHBondContact O-N 3.27Å; D1300-T1302 VanDerWaalsContact C-N 3.27Å; D1300-T1302 PolarHBondContact O-N 3.2Å; D1300-Y1303 PolarHBondContact O-N 2.88Å; D1300-R1304 PolarHBondContact O-N 3.11Å; D1300-R1304 VanDerWaalsContact O-N 3.14Å
1301E73.3Confident71.6Confident124 Ų12483.1 Ų83.158%0.57940%0.404SS*.Hα-helixtrans-56.4-38177.1-83-152.3-179.500113.7E1299 Y1303 R1304 K1305E1299-E1301 PolarHBondContact O-N 2.98Å; E1301-Y1303 VanDerWaalsContact C-N 3.33Å; E1301-Y1303 PolarHBondContact O-N 3.42Å; E1301-R1304 PolarHBondContact O-N 3.25Å; E1301-K1305 WeakPolarHBondContact O-CG 3.45Å; E1301-K1305 PolarHBondContact O-N 3.49Å; E1301-K1305 IonicContact OE2-NZ 2.85Å; E1301-K1305 PolarHBondContact OE2-NZ 3.4Å
1302T76.5Confident72.4Confident108 Ų10882.2 Ų82.266%0.66340%0.397SS*.Hα-helixtrans-63.6-41.6-178.851.90000111.1D1300 K1305 L1306D1300-T1302 VanDerWaalsContact C-N 3.27Å; D1300-T1302 PolarHBondContact O-N 3.2Å; T1302-K1305 PolarHBondContact O-N 3.09Å; T1302-L1306 WeakPolarHBondContact O-CB 3.3Å; T1302-L1306 PolarHBondContact O-N 3.33Å
1303Y74.3Confident73.4Confident37 Ų3778.9 Ų78.915%0.14538%0.383CS..Hα-helixtrans-67.9-42.1176.7-179.8-103.5000111.9I1296 D1300 E1301 K1305 L1306 I1307I1296-Y1303 HydrophobicContact CB-CD1 4.45Å; I1296-Y1303 HydrophobicContact CB-CE1 4.23Å; I1296-Y1303 HydrophobicContact CD1-CD1 4.32Å; I1296-Y1303 HydrophobicContact CD1-CE1 3.37Å; I1296-Y1303 HydrophobicContact CD1-CE2 4.5Å; I1296-Y1303 VanDerWaalsContact CD1-CZ 3.48Å; I1296-Y1303 VanDerWaalsContact CD1-OH 3.31Å; I1296-Y1303 WeakPolarHBondContact CD1-OH 3.27Å; I1296-Y1303 HydrophobicContact CG1-CD1 4.1Å; I1296-Y1303 HydrophobicContact CG1-CE1 3.61Å; I1296-Y1303 HydrophobicContact CG2-CD1 3.7Å; I1296-Y1303 HydrophobicContact CG2-CE1 3.96Å; I1296-Y1303 HydrophobicContact CG2-CG 4.45Å; D1300-Y1303 PolarHBondContact O-N 2.88Å; E1301-Y1303 VanDerWaalsContact C-N 3.33Å; E1301-Y1303 PolarHBondContact O-N 3.42Å; Y1303-K1305 VanDerWaalsContact C-N 3.35Å; Y1303-K1305 PolarHBondContact O-N 2.93Å; Y1303-L1306 PolarHBondContact O-N 3.49Å; Y1303-I1307 HydrophobicContact CD1-CD1 3.69Å; Y1303-I1307 HydrophobicContact CD1-CG1 4.46Å; Y1303-I1307 HydrophobicContact CE1-CD1 3.08Å; Y1303-I1307 HydrophobicContact CE1-CG1 4.03Å; Y1303-I1307 HydrophobicContact CE2-CD1 4.16Å; Y1303-I1307 HydrophobicContact CE2-CG1 4.28Å; Y1303-I1307 HydrophobicContact CG-CD1 4.45Å; Y1303-I1307 PolarHBondContact O-N 3.01Å
1304R77.2Confident74.7Confident66 Ų6676.7 Ų76.725%0.24937%0.368CS..Hα-helixtrans-58.1-46174.1-70.6179.4179.6-155.8-2.7111.8E1298 D1300 E1301 I1307 L1308 P1356E1298-R1304 PolarHBondContact O-NE 3.31Å; E1298-R1304 PolarHBondContact O-NH2 2.95Å; D1300-R1304 PolarHBondContact O-N 3.11Å; D1300-R1304 VanDerWaalsContact O-N 3.14Å; E1301-R1304 PolarHBondContact O-N 3.25Å; R1304-I1307 PolarHBondContact O-N 3.22Å; R1304-L1308 WeakPolarHBondContact O-CB 3.11Å; R1304-L1308 PolarHBondContact O-N 3.11Å; R1304-P1356 HydrophobicContact CG-CG 4.28Å
1305K81.2Confident76.2Confident117 Ų11772.4 Ų72.451%0.50935%0.349SS..Hα-helixtrans-61-44.7176.8-74.4169.5-176.6155.80111.2E1301 T1302 Y1303 I1307 L1308 D1309E1301-K1305 WeakPolarHBondContact O-CG 3.45Å; E1301-K1305 PolarHBondContact O-N 3.49Å; E1301-K1305 IonicContact OE2-NZ 2.85Å; E1301-K1305 PolarHBondContact OE2-NZ 3.4Å; T1302-K1305 PolarHBondContact O-N 3.09Å; Y1303-K1305 VanDerWaalsContact C-N 3.35Å; Y1303-K1305 PolarHBondContact O-N 2.93Å; K1305-I1307 PolarHBondContact O-N 3.43Å; K1305-L1308 PolarHBondContact O-N 2.87Å; K1305-D1309 PolarHBondContact O-N 3.41Å
1306L82.2Confident78Confident94 Ų9463 Ų6349%0.49231%0.309SS..Hα-helixtrans-59.9-47.1177.1-178.267.8000112.7T1302 Y1303 L1308 D1309 R1310T1302-L1306 WeakPolarHBondContact O-CB 3.3Å; T1302-L1306 PolarHBondContact O-N 3.33Å; Y1303-L1306 PolarHBondContact O-N 3.49Å; L1306-L1308 VanDerWaalsContact C-N 3.34Å; L1306-D1309 PolarHBondContact O-N 3.41Å; L1306-R1310 VanDerWaalsContact O-CG 3.28Å; L1306-R1310 WeakPolarHBondContact O-CG 3.46Å; L1306-R1310 PolarHBondContact O-N 3.35Å
1307I80.9Confident79.9Confident12 Ų1261.2 Ų61.26%0.06230%0.299CS..Hα-helixtrans-64-43.1177-63.3165.2000110.4Y1303 R1304 K1305 D1309 R1310 S1311 Y1355 P1356Y1303-I1307 HydrophobicContact CD1-CD1 3.69Å; Y1303-I1307 HydrophobicContact CD1-CG1 4.46Å; Y1303-I1307 HydrophobicContact CE1-CD1 3.08Å; Y1303-I1307 HydrophobicContact CE1-CG1 4.03Å; Y1303-I1307 HydrophobicContact CE2-CD1 4.16Å; Y1303-I1307 HydrophobicContact CE2-CG1 4.28Å; Y1303-I1307 HydrophobicContact CG-CD1 4.45Å; Y1303-I1307 PolarHBondContact O-N 3.01Å; R1304-I1307 PolarHBondContact O-N 3.22Å; K1305-I1307 PolarHBondContact O-N 3.43Å; I1307-D1309 VanDerWaalsContact C-N 3.33Å; I1307-D1309 PolarHBondContact O-N 2.94Å; I1307-R1310 PolarHBondContact O-N 3.36Å; I1307-S1311 WeakPolarHBondContact O-CB 3.44Å; I1307-S1311 PolarHBondContact O-N 3.37Å; I1307-S1311 PolarHBondContact O-OG 3.43Å; I1307-Y1355 HydrophobicContact CB-CD2 4.26Å; I1307-Y1355 HydrophobicContact CG2-CD2 3.87Å; I1307-P1356 HydrophobicContact CD1-CG 4.46Å
1308L84.7Confident81.7Confident44 Ų4455.5 Ų55.523%0.2327%0.269CS..Hα-helixtrans-57.8-48.5179.8-173.263.9000110.6R1304 K1305 L1306 R1310 S1311 L1312 Y1355 L1361 T1366R1304-L1308 WeakPolarHBondContact O-CB 3.11Å; R1304-L1308 PolarHBondContact O-N 3.11Å; K1305-L1308 PolarHBondContact O-N 2.87Å; L1306-L1308 VanDerWaalsContact C-N 3.34Å; L1308-R1310 PolarHBondContact O-N 3.37Å; L1308-S1311 WeakPolarHBondContact CA-OG 3.45Å; L1308-S1311 PolarHBondContact O-N 2.97Å; L1308-S1311 PolarHBondContact O-OG 3.41Å; L1308-L1312 WeakPolarHBondContact O-CB 3.34Å; L1308-L1312 PolarHBondContact O-N 2.98Å; L1308-Y1355 HydrophobicContact CB-CE2 3.95Å; L1308-Y1355 HydrophobicContact CD1-CE2 4.13Å; L1308-L1361 HydrophobicContact CD1-CD2 4.34Å; L1308-T1366 HydrophobicContact CD1-CG2 4.07Å
1309D86.3Confident83.3Confident81 Ų8150 Ų5043%0.43324%0.243SC..Hα-helixtrans-62.9-43177.9-81.2-34.3000112.7R1195 K1305 L1306 I1307 S1311 L1312 N1313R1195-D1309 IonicContact NH2-OD1 2.84Å; K1305-D1309 PolarHBondContact O-N 3.41Å; L1306-D1309 PolarHBondContact O-N 3.41Å; I1307-D1309 VanDerWaalsContact C-N 3.33Å; I1307-D1309 PolarHBondContact O-N 2.94Å; D1309-S1311 PolarHBondContact O-N 3Å; D1309-L1312 PolarHBondContact O-N 3.33Å; D1309-N1313 PolarHBondContact O-N 3.33Å; D1309-N1313 PolarHBondContact O-ND2 3.32Å
1310R88.3Confident84.8Confident66 Ų6641.8 Ų41.825%0.24921%0.205CC..Hα-helixtrans-62.1-43.4175.8-69.8177.277.3117.5-4.7111.7L1202 E1206 L1306 I1307 L1308 N1313 C1314L1202-R1310 HydrophobicContact CD1-CB 4.14Å; L1202-R1310 HydrophobicContact CD1-CG 3.94Å; L1202-R1310 WeakPolarHBondContact CD2-O 3.46Å; E1206-R1310 IonicContact OE1-CZ 2.96Å; E1206-R1310 IonicContact OE1-NH2 3.8Å; E1206-R1310 PolarHBondContact OE1-NH2 3.38Å; L1306-R1310 VanDerWaalsContact O-CG 3.28Å; L1306-R1310 WeakPolarHBondContact O-CG 3.46Å; L1306-R1310 PolarHBondContact O-N 3.35Å; I1307-R1310 PolarHBondContact O-N 3.36Å; L1308-R1310 PolarHBondContact O-N 3.37Å; R1310-N1313 PolarHBondContact O-N 2.9Å; R1310-C1314 WeakPolarHBondContact O-CB 3.46Å; R1310-C1314 PolarHBondContact O-N 3.44Å
1311S88.7Confident85.7Confident6 Ų637.8 Ų37.84%0.04218%0.184CC..Hα-helixtrans-67.1-39.5179.668.50000111.9I1307 L1308 D1309 C1314 L1315 L1361I1307-S1311 WeakPolarHBondContact O-CB 3.44Å; I1307-S1311 PolarHBondContact O-N 3.37Å; I1307-S1311 PolarHBondContact O-OG 3.43Å; L1308-S1311 WeakPolarHBondContact CA-OG 3.45Å; L1308-S1311 PolarHBondContact O-N 2.97Å; L1308-S1311 PolarHBondContact O-OG 3.41Å; D1309-S1311 PolarHBondContact O-N 3Å; S1311-C1314 PolarHBondContact O-N 2.92Å; S1311-L1315 WeakPolarHBondContact O-CB 3.07Å; S1311-L1315 VanDerWaalsContact O-CG 3.28Å; S1311-L1315 WeakPolarHBondContact O-CG 3.42Å; S1311-L1315 PolarHBondContact O-N 3.37Å; S1311-L1361 WeakPolarHBondContact OG-CD2 3.27Å
1312L91Very high86.1Confident12 Ų1232.4 Ų32.46%0.06316%0.159CC..Hα-helixtrans-60.3-46.7173.5177.458000111.5L1308 D1309 L1315 T1316 P1365 T1366 L1369L1308-L1312 WeakPolarHBondContact O-CB 3.34Å; L1308-L1312 PolarHBondContact O-N 2.98Å; D1309-L1312 PolarHBondContact O-N 3.33Å; L1312-L1315 PolarHBondContact O-N 2.92Å; L1312-T1316 WeakPolarHBondContact O-CB 3.39Å; L1312-T1316 PolarHBondContact O-N 2.99Å; L1312-T1316 PolarHBondContact O-OG1 3.43Å; L1312-P1365 HydrophobicContact CD1-CB 3.96Å; L1312-P1365 HydrophobicContact CD1-CG 3.83Å; L1312-P1365 HydrophobicContact CD2-CG 4.09Å; L1312-T1366 HydrophobicContact CB-CG2 3.77Å; L1312-T1366 HydrophobicContact CD1-CG2 3.88Å; L1312-T1366 HydrophobicContact CG-CG2 4.38Å; L1312-L1369 HydrophobicContact CD1-CD1 3.63Å
1313N92.3Very high86.4Confident9 Ų929.2 Ų29.25%0.04814%0.135CC..Hα-helixtrans-64-43.6177.6-66.5-15.8000111.6R1195 E1198 I1199 L1202 D1309 R1310 T1316 W1317R1195-N1313 PolarHBondContact NE-OD1 2.92Å; R1195-N1313 PolarHBondContact NH2-OD1 2.95Å; E1198-N1313 VanDerWaalsContact CB-ND2 3.29Å; E1198-N1313 WeakPolarHBondContact CB-ND2 3.46Å; I1199-N1313 HydrophobicContact CG1-CB 3.86Å; L1202-N1313 HydrophobicContact CD2-CB 3.9Å; D1309-N1313 PolarHBondContact O-N 3.33Å; D1309-N1313 PolarHBondContact O-ND2 3.32Å; R1310-N1313 PolarHBondContact O-N 2.9Å; N1313-T1316 PolarHBondContact O-N 3.41Å; N1313-W1317 PolarHBondContact O-N 3.48Å
1314C92.4Very high86.6Confident0 Ų027.8 Ų27.80%013%0.13CC..Hα-helixtrans-59.4-51.1175.5-173.90000111.7L1202 P1283 F1284 R1310 S1311 T1316 W1317 I1318L1202-C1314 HydrophobicContact CD2-CB 4.27Å; P1283-C1314 HydrophobicContact CB-CB 4.13Å; P1283-C1314 HydrophobicContact CG-CB 4.4Å; F1284-C1314 HydrophobicContact CD1-CB 4.34Å; F1284-C1314 HydrophobicContact CE1-CB 3.98Å; F1284-C1314 HydrophobicContact CZ-CB 4.49Å; R1310-C1314 WeakPolarHBondContact O-CB 3.46Å; R1310-C1314 PolarHBondContact O-N 3.44Å; S1311-C1314 PolarHBondContact O-N 2.92Å; C1314-T1316 VanDerWaalsContact C-N 3.31Å; C1314-T1316 PolarHBondContact O-N 3.46Å; C1314-W1317 PolarHBondContact O-N 2.94Å; C1314-I1318 VanDerWaalsContact O-CG1 3.29Å; C1314-I1318 WeakPolarHBondContact O-CG1 3.37Å; C1314-I1318 PolarHBondContact O-N 2.75Å; C1314-I1318 VanDerWaalsContact SG-CD1 3.54Å
1315L91.3Very high86.4Confident1 Ų124.7 Ų24.71%0.00512%0.119CC..Hα-helixtrans-62.9-37.7178-71.2170.3000112.2F1284 S1311 L1312 W1317 I1318 N1319 L1348 T1366 L1369 L1370 I1373F1284-L1315 HydrophobicContact CE2-CD2 3.95Å; F1284-L1315 HydrophobicContact CE2-CG 4.48Å; F1284-L1315 HydrophobicContact CZ-CD1 4.42Å; F1284-L1315 HydrophobicContact CZ-CD2 3.72Å; F1284-L1315 HydrophobicContact CZ-CG 3.77Å; S1311-L1315 WeakPolarHBondContact O-CB 3.07Å; S1311-L1315 VanDerWaalsContact O-CG 3.28Å; S1311-L1315 WeakPolarHBondContact O-CG 3.42Å; S1311-L1315 PolarHBondContact O-N 3.37Å; L1312-L1315 PolarHBondContact O-N 2.92Å; L1315-W1317 VanDerWaalsContact C-N 3.3Å; L1315-W1317 PolarHBondContact O-N 2.92Å; L1315-I1318 PolarHBondContact O-N 3.14Å; L1315-N1319 VanDerWaalsContact O-CB 3.25Å; L1315-N1319 WeakPolarHBondContact O-CB 3.37Å; L1315-N1319 PolarHBondContact O-N 3.38Å; L1315-L1348 HydrophobicContact CD2-CD2 4.05Å; L1315-T1366 HydrophobicContact CD1-CG2 4.29Å; L1315-L1369 HydrophobicContact CB-CB 3.99Å; L1315-L1369 HydrophobicContact CB-CD1 4.02Å; L1315-L1370 HydrophobicContact CD2-CD1 4.43Å; L1315-I1373 HydrophobicContact CB-CD1 4.37Å; L1315-I1373 HydrophobicContact CD2-CD1 3.68Å
1316T91Very high85.9Confident3 Ų323.1 Ų23.12%0.01812%0.116CC..Hα-helixtrans-60.4-44.4176.2-59.20000110.3Y1191 V1192 I1199 L1312 N1313 C1314 Y1320 L1369Y1191-T1316 HydrophobicContact CD1-CG2 3.77Å; Y1191-T1316 HydrophobicContact CE1-CG2 3.65Å; V1192-T1316 HydrophobicContact CG2-CG2 4.28Å; I1199-T1316 HydrophobicContact CD1-CG2 3.94Å; L1312-T1316 WeakPolarHBondContact O-CB 3.39Å; L1312-T1316 PolarHBondContact O-N 2.99Å; L1312-T1316 PolarHBondContact O-OG1 3.43Å; N1313-T1316 PolarHBondContact O-N 3.41Å; C1314-T1316 VanDerWaalsContact C-N 3.31Å; C1314-T1316 PolarHBondContact O-N 3.46Å; T1316-Y1320 PolarHBondContact O-N 2.89Å; T1316-Y1320 VanDerWaalsContact O-N 3.16Å; T1316-L1369 WeakPolarHBondContact OG1-CD1 3.33Å
1317W92.9Very high85.2Confident0 Ų021.1 Ų21.10%011%0.105CC..Hα-helixtrans-68.5-45.7177.7-171.2-116.1000113L1150 I1172 F1173 I1178 V1192 I1199 Y1203 W1279 N1313 C1314 L1315 N1319 Y1320 L1321L1150-W1317 HydrophobicContact CD2-CZ2 4.07Å; I1172-W1317 HydrophobicContact CG2-CH2 4.33Å; I1172-W1317 HydrophobicContact CG2-CZ2 3.93Å; F1173-W1317 HydrophobicContact CD1-CH2 4.04Å; F1173-W1317 HydrophobicContact CD1-CZ2 4.2Å; F1173-W1317 HydrophobicContact CD1-CZ3 4.26Å; F1173-W1317 AromaticContact CE1-CD2 3.82Å; F1173-W1317 HydrophobicContact CE1-CD2 3.82Å; F1173-W1317 AromaticContact CE1-CE2 3.52Å; F1173-W1317 HydrophobicContact CE1-CE3 4.07Å; F1173-W1317 HydrophobicContact CE1-CG 4.5Å; F1173-W1317 AromaticContact CE1-CH2 3.78Å; F1173-W1317 HydrophobicContact CE1-CH2 3.78Å; F1173-W1317 AromaticContact CE1-CZ2 3.51Å; F1173-W1317 HydrophobicContact CE1-CZ2 3.51Å; F1173-W1317 HydrophobicContact CE1-CZ3 4.06Å; F1173-W1317 AromaticContact CZ-CE2 3.97Å; F1173-W1317 HydrophobicContact CZ-CZ2 4.02Å; I1178-W1317 HydrophobicContact CD1-CH2 4.29Å; I1178-W1317 HydrophobicContact CD1-CZ3 4.07Å; V1192-W1317 HydrophobicContact CG1-CE3 4.32Å; V1192-W1317 HydrophobicContact CG1-CZ3 4.28Å; I1199-W1317 HydrophobicContact CG2-CB 4.08Å; I1199-W1317 HydrophobicContact CG2-CD2 4.18Å; I1199-W1317 HydrophobicContact CG2-CE3 4.12Å; I1199-W1317 HydrophobicContact CG2-CG 4.18Å; Y1203-W1317 HydrophobicContact CE2-CB 3.95Å; Y1203-W1317 AromaticContact CE2-CD1 3.47Å; Y1203-W1317 VanDerWaalsContact CE2-CD1 3.47Å; Y1203-W1317 AromaticContact CE2-CG 3.8Å; Y1203-W1317 HydrophobicContact CE2-CG 3.8Å; Y1203-W1317 AromaticContact CZ-CD1 3.49Å; Y1203-W1317 VanDerWaalsContact CZ-CD1 3.49Å; W1279-W1317 AromaticContact CH2-NE1 3.87Å; W1279-W1317 AromaticContact CZ3-NE1 3.82Å; N1313-W1317 PolarHBondContact O-N 3.48Å; C1314-W1317 PolarHBondContact O-N 2.94Å; L1315-W1317 VanDerWaalsContact C-N 3.3Å; L1315-W1317 PolarHBondContact O-N 2.92Å; W1317-N1319 VanDerWaalsContact C-N 3.32Å; W1317-N1319 PolarHBondContact O-N 3.37Å; W1317-Y1320 HydrophobicContact CD2-CD1 4.48Å; W1317-Y1320 AromaticContact CE3-CD1 3.82Å; W1317-Y1320 HydrophobicContact CE3-CD1 3.82Å; W1317-Y1320 HydrophobicContact CE3-CE1 4.38Å; W1317-Y1320 AromaticContact CH2-CD1 3.97Å; W1317-Y1320 HydrophobicContact CH2-CD1 3.97Å; W1317-Y1320 AromaticContact CH2-CE1 3.76Å; W1317-Y1320 HydrophobicContact CH2-CE1 3.76Å; W1317-Y1320 AromaticContact CZ3-CD1 3.53Å; W1317-Y1320 HydrophobicContact CZ3-CD1 3.53Å; W1317-Y1320 AromaticContact CZ3-CE1 3.63Å; W1317-Y1320 HydrophobicContact CZ3-CE1 3.63Å; W1317-Y1320 HydrophobicContact CZ3-CG 4.5Å; W1317-Y1320 WeakPolarHBondContact O-CB 3.39Å; W1317-Y1320 PolarHBondContact O-N 3.5Å; W1317-L1321 HydrophobicContact CD2-CG 4.49Å; W1317-L1321 HydrophobicContact CZ2-CD2 4.09Å; W1317-L1321 HydrophobicContact CZ2-CG 4.48Å; W1317-L1321 WeakPolarHBondContact O-CG 3.29Å; W1317-L1321 PolarHBondContact O-N 3.01Å
1318I90.2Very high84.2Confident0 Ų021.3 Ų21.30%011%0.108CC..Hα-helixtrans-58.8-44.4177.1-68.9165.4000110.7V1280 Y1281 F1284 C1314 L1315 Y1320 L1321 Q1322 M1339 I1373V1280-I1318 HydrophobicContact CG1-CG1 3.85Å; Y1281-I1318 HydrophobicContact CD1-CD1 3.78Å; Y1281-I1318 HydrophobicContact CD1-CG1 4.43Å; Y1281-I1318 HydrophobicContact CE1-CD1 3.79Å; Y1281-I1318 HydrophobicContact CE1-CG1 4.17Å; Y1281-I1318 HydrophobicContact CE1-CG2 4.27Å; F1284-I1318 HydrophobicContact CE2-CD1 4.38Å; C1314-I1318 VanDerWaalsContact O-CG1 3.29Å; C1314-I1318 WeakPolarHBondContact O-CG1 3.37Å; C1314-I1318 PolarHBondContact O-N 2.75Å; C1314-I1318 VanDerWaalsContact SG-CD1 3.54Å; L1315-I1318 PolarHBondContact O-N 3.14Å; I1318-Y1320 PolarHBondContact O-N 3.32Å; I1318-L1321 PolarHBondContact O-N 2.83Å; I1318-Q1322 VanDerWaalsContact O-CB 3.31Å; I1318-Q1322 WeakPolarHBondContact O-CB 3.27Å; I1318-Q1322 PolarHBondContact O-N 3.18Å; I1318-M1339 HydrophobicContact CG2-CE 3.9Å; I1318-I1373 HydrophobicContact CB-CD1 4.08Å; I1318-I1373 HydrophobicContact CG2-CD1 3.75Å; I1318-I1373 HydrophobicContact CG2-CG1 4.18Å; I1318-I1373 HydrophobicContact CG2-CG2 4.22Å
1319N88.7Confident82.5Confident8 Ų823.6 Ų23.64%0.04312%0.12CC..Hα-helixtrans-61.3-45.3178-173.9-3.2000111.5L1315 W1317 L1321 Q1322 K1323 L1369 E1372 I1373L1315-N1319 VanDerWaalsContact O-CB 3.25Å; L1315-N1319 WeakPolarHBondContact O-CB 3.37Å; L1315-N1319 PolarHBondContact O-N 3.38Å; W1317-N1319 VanDerWaalsContact C-N 3.32Å; W1317-N1319 PolarHBondContact O-N 3.37Å; N1319-L1321 PolarHBondContact O-N 3.11Å; N1319-Q1322 PolarHBondContact O-N 2.95Å; N1319-K1323 WeakPolarHBondContact O-CG 3.21Å; N1319-K1323 PolarHBondContact O-N 2.8Å; N1319-K1323 WeakPolarHBondContact OD1-CD 3.49Å; N1319-K1323 WeakPolarHBondContact OD1-CE 3.44Å; N1319-K1323 PolarHBondContact OD1-NZ 3.07Å; N1319-L1369 HydrophobicContact CB-CD2 4.17Å; N1319-L1369 WeakPolarHBondContact ND2-CD2 3.35Å; N1319-E1372 PolarHBondContact ND2-OE2 3.32Å; N1319-I1373 HydrophobicContact CB-CD1 4.15Å; N1319-I1373 HydrophobicContact CB-CG1 3.91Å
1320Y88.5Confident80.5Confident2 Ų224.8 Ų24.81%0.00814%0.135CC..Hα-helixtrans-57.7-48.7174.5169.2-103.3000112.3H1146 I1178 N1181 V1192 T1316 W1317 I1318 Q1322 K1323 I1324H1146-Y1320 AromaticContact NE2-CE1 3.62Å; H1146-Y1320 AromaticContact NE2-CZ 3.87Å; H1146-Y1320 PolarHBondContact NE2-OH 3.38Å; H1146-Y1320 VanDerWaalsContact NE2-OH 3.16Å; I1178-Y1320 HydrophobicContact CG2-CE2 4.45Å; N1181-Y1320 PolarHBondContact ND2-OH 3.32Å; V1192-Y1320 HydrophobicContact CG2-CD2 3.97Å; V1192-Y1320 HydrophobicContact CG2-CG 4.08Å; T1316-Y1320 PolarHBondContact O-N 2.89Å; T1316-Y1320 VanDerWaalsContact O-N 3.16Å; W1317-Y1320 HydrophobicContact CD2-CD1 4.48Å; W1317-Y1320 AromaticContact CE3-CD1 3.82Å; W1317-Y1320 HydrophobicContact CE3-CD1 3.82Å; W1317-Y1320 HydrophobicContact CE3-CE1 4.38Å; W1317-Y1320 AromaticContact CH2-CD1 3.97Å; W1317-Y1320 HydrophobicContact CH2-CD1 3.97Å; W1317-Y1320 AromaticContact CH2-CE1 3.76Å; W1317-Y1320 HydrophobicContact CH2-CE1 3.76Å; W1317-Y1320 AromaticContact CZ3-CD1 3.53Å; W1317-Y1320 HydrophobicContact CZ3-CD1 3.53Å; W1317-Y1320 AromaticContact CZ3-CE1 3.63Å; W1317-Y1320 HydrophobicContact CZ3-CE1 3.63Å; W1317-Y1320 HydrophobicContact CZ3-CG 4.5Å; W1317-Y1320 WeakPolarHBondContact O-CB 3.39Å; W1317-Y1320 PolarHBondContact O-N 3.5Å; I1318-Y1320 PolarHBondContact O-N 3.32Å; Y1320-Q1322 PolarHBondContact O-N 2.98Å; Y1320-K1323 PolarHBondContact O-N 3.34Å; Y1320-I1324 HydrophobicContact CD1-CD1 3.98Å; Y1320-I1324 HydrophobicContact CD2-CD1 4.28Å; Y1320-I1324 HydrophobicContact CE1-CD1 3.39Å; Y1320-I1324 HydrophobicContact CE2-CD1 3.74Å; Y1320-I1324 HydrophobicContact CE2-CG1 4.37Å; Y1320-I1324 HydrophobicContact CG-CD1 4.4Å; Y1320-I1324 WeakPolarHBondContact O-CG1 3.39Å; Y1320-I1324 PolarHBondContact O-N 2.94Å; Y1320-I1324 WeakPolarHBondContact OH-CD1 3.23Å
1321L87.2Confident78.4Confident4 Ų426.5 Ų26.52%0.02116%0.157CC..Hα-helixtrans-62.5-40.5178.3-69.1-178.9000112.6L1150 W1279 V1280 W1317 I1318 N1319 I1324 A1325 F1338 M1339L1150-L1321 HydrophobicContact CD1-CD2 3.61Å; L1150-L1321 HydrophobicContact CD2-CD2 3.97Å; L1150-L1321 HydrophobicContact CG-CD2 4.44Å; W1279-L1321 HydrophobicContact CH2-CD1 4.42Å; V1280-L1321 HydrophobicContact CB-CD1 4.45Å; V1280-L1321 HydrophobicContact CG1-CD1 3.77Å; V1280-L1321 HydrophobicContact CG2-CD1 3.8Å; W1317-L1321 HydrophobicContact CD2-CG 4.49Å; W1317-L1321 HydrophobicContact CZ2-CD2 4.09Å; W1317-L1321 HydrophobicContact CZ2-CG 4.48Å; W1317-L1321 WeakPolarHBondContact O-CG 3.29Å; W1317-L1321 PolarHBondContact O-N 3.01Å; I1318-L1321 PolarHBondContact O-N 2.83Å; N1319-L1321 PolarHBondContact O-N 3.11Å; L1321-I1324 WeakPolarHBondContact O-CB 3.48Å; L1321-I1324 PolarHBondContact O-N 3.41Å; L1321-A1325 WeakPolarHBondContact O-CB 3.21Å; L1321-A1325 PolarHBondContact O-N 2.85Å; L1321-F1338 HydrophobicContact CD1-CE2 4.42Å; L1321-M1339 HydrophobicContact CB-SD 3.97Å
1322Q83Confident76.1Confident11 Ų1129.7 Ų29.75%0.05117%0.174CC..Hα-helixtrans-68.2-35.6179-168.96440.100112.1I1318 N1319 Y1320 A1325 N1326 M1339 S1376I1318-Q1322 VanDerWaalsContact O-CB 3.31Å; I1318-Q1322 WeakPolarHBondContact O-CB 3.27Å; I1318-Q1322 PolarHBondContact O-N 3.18Å; N1319-Q1322 PolarHBondContact O-N 2.95Å; Y1320-Q1322 PolarHBondContact O-N 2.98Å; Q1322-A1325 WeakPolarHBondContact O-CB 3.39Å; Q1322-A1325 PolarHBondContact O-N 2.88Å; Q1322-N1326 VanDerWaalsContact O-CG 3.22Å; Q1322-N1326 PolarHBondContact O-N 3.42Å; Q1322-N1326 PolarHBondContact O-ND2 2.88Å; Q1322-M1339 HydrophobicContact CB-CE 4.41Å; Q1322-S1376 WeakPolarHBondContact CG-OG 3.47Å
1323K81.3Confident73.6Confident40 Ų4033 Ų3317%0.17420%0.197CC..Hα-helixtrans-66.1-40.2172.6-74.1170.2170.2167.30111.8T1186 L1187 N1188 N1319 Y1320 N1326 L1327 E1372T1186-K1323 WeakPolarHBondContact O-CD 3.4Å; L1187-K1323 HydrophobicContact CD2-CB 3.85Å; N1188-K1323 PolarHBondContact ND2-NZ 3.34Å; N1319-K1323 WeakPolarHBondContact O-CG 3.21Å; N1319-K1323 PolarHBondContact O-N 2.8Å; N1319-K1323 WeakPolarHBondContact OD1-CD 3.49Å; N1319-K1323 WeakPolarHBondContact OD1-CE 3.44Å; N1319-K1323 PolarHBondContact OD1-NZ 3.07Å; Y1320-K1323 PolarHBondContact O-N 3.34Å; K1323-N1326 PolarHBondContact O-N 3.16Å; K1323-L1327 WeakPolarHBondContact O-CG 3.34Å; K1323-L1327 PolarHBondContact O-N 3.33Å; K1323-E1372 IonicContact NZ-OE2 3.94Å; K1323-E1372 PolarHBondContact NZ-OE2 2.9Å
1324I78.5Confident71.1Confident8 Ų841.3 Ų41.34%0.04123%0.229CC..Hα-helixtrans-62.1-46.6172.1-70.8176000111.1L1147 L1187 Y1320 L1321 N1326 L1327 C1328 F1336L1147-I1324 HydrophobicContact CD2-CD1 4.1Å; L1147-I1324 HydrophobicContact CD2-CG2 3.37Å; L1187-I1324 HydrophobicContact CD2-CG1 3.58Å; Y1320-I1324 HydrophobicContact CD1-CD1 3.98Å; Y1320-I1324 HydrophobicContact CD2-CD1 4.28Å; Y1320-I1324 HydrophobicContact CE1-CD1 3.39Å; Y1320-I1324 HydrophobicContact CE2-CD1 3.74Å; Y1320-I1324 HydrophobicContact CE2-CG1 4.37Å; Y1320-I1324 HydrophobicContact CG-CD1 4.4Å; Y1320-I1324 WeakPolarHBondContact O-CG1 3.39Å; Y1320-I1324 PolarHBondContact O-N 2.94Å; Y1320-I1324 WeakPolarHBondContact OH-CD1 3.23Å; L1321-I1324 WeakPolarHBondContact O-CB 3.48Å; L1321-I1324 PolarHBondContact O-N 3.41Å; I1324-N1326 VanDerWaalsContact C-N 3.26Å; I1324-N1326 PolarHBondContact O-N 2.92Å; I1324-L1327 PolarHBondContact O-N 2.77Å; I1324-L1327 VanDerWaalsContact O-N 3.1Å; I1324-C1328 PolarHBondContact O-N 3Å; I1324-C1328 PolarHBondContact O-SG 3.27Å; I1324-C1328 VanDerWaalsContact O-SG 3.42Å; I1324-F1336 HydrophobicContact CG2-CE1 4.39Å; I1324-F1336 HydrophobicContact CG2-CE2 3.64Å; I1324-F1336 HydrophobicContact CG2-CZ 3.44Å; I1324-F1336 VanDerWaalsContact CG2-CZ 3.44Å
1325A73.9Confident68.9Low0 Ų043 Ų430%024%0.239CC..Hα-helixtrans-54.8-42.5177.400000112.3L1321 Q1322 L1327 C1328 N1335 F1336L1321-A1325 WeakPolarHBondContact O-CB 3.21Å; L1321-A1325 PolarHBondContact O-N 2.85Å; Q1322-A1325 WeakPolarHBondContact O-CB 3.39Å; Q1322-A1325 PolarHBondContact O-N 2.88Å; A1325-L1327 VanDerWaalsContact C-N 3.33Å; A1325-L1327 PolarHBondContact O-N 2.88Å; A1325-C1328 PolarHBondContact O-N 2.92Å; A1325-N1335 HydrophobicContact CB-CB 3.91Å; A1325-N1335 PolarHBondContact O-ND2 3.48Å; A1325-N1335 PolarHBondContact O-OD1 2.78Å; A1325-F1336 HydrophobicContact CB-CD2 3.8Å; A1325-F1336 HydrophobicContact CB-CE2 4.29Å
1326N71.4Confident66.8Low84 Ų8443.6 Ų43.645%0.44924%0.241SC..Hα-helixtrans-74-19.4179.4-68-17.3000114.4Q1322 K1323 I1324Q1322-N1326 VanDerWaalsContact O-CG 3.22Å; Q1322-N1326 PolarHBondContact O-N 3.42Å; Q1322-N1326 PolarHBondContact O-ND2 2.88Å; K1323-N1326 PolarHBondContact O-N 3.16Å; I1324-N1326 VanDerWaalsContact C-N 3.26Å; I1324-N1326 PolarHBondContact O-N 2.92Å
1327L65.8Low64.9Low52 Ų5245.3 Ų45.327%0.27226%0.259SS..Hα-helixtrans-80.1-23.5175.6-74.6167.5000112.7L1187 K1323 I1324 A1325L1187-L1327 HydrophobicContact CD1-CD1 4.13Å; L1187-L1327 HydrophobicContact CD2-CD1 3.79Å; L1187-L1327 HydrophobicContact CG-CD1 3.9Å; K1323-L1327 WeakPolarHBondContact O-CG 3.34Å; K1323-L1327 PolarHBondContact O-N 3.33Å; I1324-L1327 PolarHBondContact O-N 2.77Å; I1324-L1327 VanDerWaalsContact O-N 3.1Å; A1325-L1327 VanDerWaalsContact C-N 3.33Å; A1325-L1327 PolarHBondContact O-N 2.88Å
1328C61.1Low63.2Low17 Ų1746 Ų4612%0.11526%0.262CS..SBendtrans-79.3132174.4-57.70000108.6Y1060 I1324 A1325 F1336Y1060-C1328 PolarHBondContact OH-SG 3.18Å; I1324-C1328 PolarHBondContact O-N 3Å; I1324-C1328 PolarHBondContact O-SG 3.27Å; I1324-C1328 VanDerWaalsContact O-SG 3.42Å; A1325-C1328 PolarHBondContact O-N 2.92Å; C1328-F1336 HydrophobicContact CB-CE2 4.48Å
1329D48.4Very low62Low92 Ų9246.5 Ų46.549%0.49227%0.265SS..  trans-49.3142.7-170-83.2-38.6000115.1S1331 D1332D1329-S1331 PolarHBondContact O-N 2.71Å; D1329-S1331 VanDerWaalsContact O-N 3.15Å; D1329-D1332 PolarHBondContact O-N 3.32Å
1330S44.4Very low61Low106 Ų10649.5 Ų49.574%0.74128%0.281SS*.G310 helixtrans-68.2-12.3-177.962.70000115.5D1332 S1333S1330-D1332 PolarHBondContact O-N 3.15Å; S1330-S1333 WeakPolarHBondContact O-CA 3.5Å; S1330-S1333 WeakPolarHBondContact O-CB 3.17Å; S1330-S1333 PolarHBondContact O-N 3.08Å
1331S43.3Very low60.1Low101 Ų10152.3 Ų52.371%0.70630%0.299SS*.G310 helixtrans-67.5-26.9173.9510000111.7D1329 S1333D1329-S1331 PolarHBondContact O-N 2.71Å; D1329-S1331 VanDerWaalsContact O-N 3.15Å; S1331-S1333 PolarHBondContact O-N 3.48Å
1332D41.8Very low59.6Low74 Ų7452.7 Ų52.740%0.39630%0.302SS..G310 helixtrans-90.151.2168.6-66.2-32.3000109.4D1329 S1330 Y1334 N1335D1329-D1332 PolarHBondContact O-N 3.32Å; S1330-D1332 PolarHBondContact O-N 3.15Å; D1332-Y1334 CarbonylContact O-C 3.51Å; D1332-Y1334 VanDerWaalsContact O-C 3.27Å; D1332-Y1334 PolarHBondContact O-N 3.39Å; D1332-N1335 PolarHBondContact O-N 2.95Å
1333S37.4Very low59.3Low80 Ų8055 Ų5556%0.55931%0.313SS*.  trans-54-6.9-167.971.60000116S1330 S1331 N1335S1330-S1333 WeakPolarHBondContact O-CA 3.5Å; S1330-S1333 WeakPolarHBondContact O-CB 3.17Å; S1330-S1333 PolarHBondContact O-N 3.08Å; S1331-S1333 PolarHBondContact O-N 3.48Å; S1333-N1335 PolarHBondContact O-N 2.7Å
1334Y39.9Very low59.4Low184 Ų18453.1 Ų53.172%0.72231%0.305SS*.SBendtrans-96.268.7166-57.8-75.5000109.8D1332 F1336D1332-Y1334 CarbonylContact O-C 3.51Å; D1332-Y1334 VanDerWaalsContact O-C 3.27Å; D1332-Y1334 PolarHBondContact O-N 3.39Å; Y1334-F1336 PolarHBondContact O-N 3.16Å; Y1334-F1336 VanDerWaalsContact O-N 3.17Å
1335N45.8Very low59.8Low37 Ų3752.8 Ų52.820%0.19830%0.303CS..  trans-41.4117.1171.4-77.5-10.2000111.5A1325 D1332 S1333 G1337A1325-N1335 HydrophobicContact CB-CB 3.91Å; A1325-N1335 PolarHBondContact O-ND2 3.48Å; A1325-N1335 PolarHBondContact O-OD1 2.78Å; D1332-N1335 PolarHBondContact O-N 2.95Å; S1333-N1335 PolarHBondContact O-N 2.7Å; N1335-G1337 PolarHBondContact O-N 2.93Å
1336F48.4Very low60.3Low12 Ų1252.8 Ų52.85%0.05330%0.303CS..THydrogen-bonded Turntrans57.3-8.6170.4-80.4-86.3000119.3L1147 R1151 I1324 A1325 C1328 Y1334 F1338L1147-F1336 HydrophobicContact CB-CE1 4.34Å; L1147-F1336 HydrophobicContact CB-CZ 4.48Å; L1147-F1336 HydrophobicContact CD2-CE1 4.21Å; L1147-F1336 HydrophobicContact CD2-CZ 3.95Å; R1151-F1336 HydrophobicContact CG-CD1 4Å; R1151-F1336 HydrophobicContact CG-CE1 4.35Å; I1324-F1336 HydrophobicContact CG2-CE1 4.39Å; I1324-F1336 HydrophobicContact CG2-CE2 3.64Å; I1324-F1336 HydrophobicContact CG2-CZ 3.44Å; I1324-F1336 VanDerWaalsContact CG2-CZ 3.44Å; A1325-F1336 HydrophobicContact CB-CD2 3.8Å; A1325-F1336 HydrophobicContact CB-CE2 4.29Å; C1328-F1336 HydrophobicContact CB-CE2 4.48Å; Y1334-F1336 PolarHBondContact O-N 3.16Å; Y1334-F1336 VanDerWaalsContact O-N 3.17Å; F1336-F1338 HydrophobicContact CB-CD1 4.13Å; F1336-F1338 HydrophobicContact CB-CD2 4.22Å; F1336-F1338 HydrophobicContact CB-CE1 3.68Å; F1336-F1338 HydrophobicContact CB-CE2 3.76Å; F1336-F1338 HydrophobicContact CB-CG 4.39Å; F1336-F1338 HydrophobicContact CB-CZ 3.49Å; F1336-F1338 VanDerWaalsContact CB-CZ 3.49Å; F1336-F1338 AromaticContact CD1-CE1 3.77Å; F1336-F1338 HydrophobicContact CD1-CE1 3.77Å; F1336-F1338 HydrophobicContact CD1-CE2 4.37Å; F1336-F1338 AromaticContact CD1-CZ 3.44Å; F1336-F1338 HydrophobicContact CD1-CZ 3.44Å; F1336-F1338 VanDerWaalsContact CD1-CZ 3.44Å; F1336-F1338 HydrophobicContact CE1-CZ 4.5Å; F1336-F1338 HydrophobicContact CG-CE1 4.18Å; F1336-F1338 HydrophobicContact CG-CE2 4.27Å; F1336-F1338 AromaticContact CG-CZ 3.75Å; F1336-F1338 HydrophobicContact CG-CZ 3.75Å; F1336-F1338 WeakPolarHBondContact O-CD1 3.47Å; F1336-F1338 WeakPolarHBondContact O-CE1 3.37Å; F1336-F1338 PolarHBondContact O-N 3.09Å; F1336-F1338 VanDerWaalsContact O-N 3.12Å
1337G50.5Low61Low39 Ų3948.8 Ų48.840%0.40228%0.281SS..THydrogen-bonded Turntrans72.5-5.6177.800000116.1L1066 N1335L1066-G1337 VanDerWaalsContact CD1-CA 3.44Å; N1335-G1337 PolarHBondContact O-N 2.93Å
1338F57.6Low62.1Low15 Ų1546.4 Ų46.47%0.06627%0.269CS..THydrogen-bonded Turntrans-125.43.9179.350.3-104.3000114.1L1150 R1151 V1280 L1321 F1336L1150-F1338 HydrophobicContact CB-CE1 4.42Å; L1150-F1338 HydrophobicContact CB-CZ 4.15Å; R1151-F1338 HydrophobicContact CG-CE1 4.41Å; V1280-F1338 HydrophobicContact CG2-CD2 3.73Å; V1280-F1338 HydrophobicContact CG2-CE2 4.11Å; V1280-F1338 HydrophobicContact CG2-CG 4.49Å; L1321-F1338 HydrophobicContact CD1-CE2 4.42Å; F1336-F1338 HydrophobicContact CB-CD1 4.13Å; F1336-F1338 HydrophobicContact CB-CD2 4.22Å; F1336-F1338 HydrophobicContact CB-CE1 3.68Å; F1336-F1338 HydrophobicContact CB-CE2 3.76Å; F1336-F1338 HydrophobicContact CB-CG 4.39Å; F1336-F1338 HydrophobicContact CB-CZ 3.49Å; F1336-F1338 VanDerWaalsContact CB-CZ 3.49Å; F1336-F1338 AromaticContact CD1-CE1 3.77Å; F1336-F1338 HydrophobicContact CD1-CE1 3.77Å; F1336-F1338 HydrophobicContact CD1-CE2 4.37Å; F1336-F1338 AromaticContact CD1-CZ 3.44Å; F1336-F1338 HydrophobicContact CD1-CZ 3.44Å; F1336-F1338 VanDerWaalsContact CD1-CZ 3.44Å; F1336-F1338 HydrophobicContact CE1-CZ 4.5Å; F1336-F1338 HydrophobicContact CG-CE1 4.18Å; F1336-F1338 HydrophobicContact CG-CE2 4.27Å; F1336-F1338 AromaticContact CG-CZ 3.75Å; F1336-F1338 HydrophobicContact CG-CZ 3.75Å; F1336-F1338 WeakPolarHBondContact O-CD1 3.47Å; F1336-F1338 WeakPolarHBondContact O-CE1 3.37Å; F1336-F1338 PolarHBondContact O-N 3.09Å; F1336-F1338 VanDerWaalsContact O-N 3.12Å
1339M64.4Low63.4Low11 Ų1145.6 Ų45.65%0.05426%0.263CS..  trans-129.479.6176.5-58.5-160.775.900111.2Y1281 I1318 L1321 Q1322Y1281-M1339 HydrophobicContact CE1-CE 4.5Å; Y1281-M1339 WeakPolarHBondContact OH-CE 3.32Å; I1318-M1339 HydrophobicContact CG2-CE 3.9Å; L1321-M1339 HydrophobicContact CB-SD 3.97Å; Q1322-M1339 HydrophobicContact CB-CE 4.41Å
1340D68.9Low65.1Low71 Ų7141.2 Ų41.238%0.3824%0.24SC..  trans-74.6125.8163.9177.3-13000108.6V1342 E1343 S1344D1340-V1342 PolarHBondContact O-N 3.39Å; D1340-V1342 PolarHBondContact OD1-N 2.93Å; D1340-E1343 HydrophobicContact CB-CB 3.94Å; D1340-E1343 HydrophobicContact CB-CG 3.86Å; D1340-E1343 PolarHBondContact O-N 3.44Å; D1340-S1344 VanDerWaalsContact O-CB 3.3Å; D1340-S1344 WeakPolarHBondContact O-CB 3.45Å; D1340-S1344 PolarHBondContact O-N 3.24Å; D1340-S1344 PolarHBondContact O-OG 3.15Å
1341P69.6Low67Low61 Ų6136.2 Ų36.240%0.39621%0.205SC..Hα-helixtrans-41.5-49.1171.6-33.838.4000114.1S1344 I1345 I1377P1341-S1344 WeakPolarHBondContact O-CB 3.31Å; P1341-S1344 PolarHBondContact O-N 3.48Å; P1341-I1345 WeakPolarHBondContact O-CD1 3.27Å; P1341-I1345 PolarHBondContact O-N 2.89Å; P1341-I1377 HydrophobicContact CB-CG2 3.83Å
1342V75.9Confident69Low12 Ų1231.4 Ų31.47%0.07317%0.171CC..Hα-helixtrans-70.8-45.1-174.9-172.20000110.2D1340 S1344 I1345 V1346 L1396 V1399D1340-V1342 PolarHBondContact O-N 3.39Å; D1340-V1342 PolarHBondContact OD1-N 2.93Å; V1342-S1344 VanDerWaalsContact C-N 3.3Å; V1342-S1344 PolarHBondContact O-N 3.18Å; V1342-I1345 PolarHBondContact O-N 3.32Å; V1342-V1346 PolarHBondContact O-N 3.33Å; V1342-L1396 HydrophobicContact CG1-CD2 3.71Å; V1342-L1396 HydrophobicContact CG1-CG 4.11Å; V1342-V1399 HydrophobicContact CB-CG2 4.49Å; V1342-V1399 HydrophobicContact CG1-CG2 3.69Å
1343E77.9Confident71Confident60 Ų6028.8 Ų28.828%0.2816%0.157SC..Hα-helixtrans-61-43.4176.1-67.8-171.3158.400111.3D1340 I1345 V1346 R1347 V1399D1340-E1343 HydrophobicContact CB-CB 3.94Å; D1340-E1343 HydrophobicContact CB-CG 3.86Å; D1340-E1343 PolarHBondContact O-N 3.44Å; E1343-I1345 VanDerWaalsContact C-N 3.29Å; E1343-I1345 PolarHBondContact O-N 3.11Å; E1343-V1346 WeakPolarHBondContact O-CB 3.44Å; E1343-V1346 PolarHBondContact O-N 3.25Å; E1343-R1347 VanDerWaalsContact CB-NH1 3.29Å; E1343-R1347 WeakPolarHBondContact O-CD 3.21Å; E1343-R1347 PolarHBondContact O-N 2.75Å; E1343-R1347 PolarHBondContact O-NH1 3.49Å; E1343-R1347 VanDerWaalsContact O-NH1 3.08Å; E1343-V1399 HydrophobicContact CG-CG1 4.07Å
1344S82.3Confident73.1Confident0 Ų025.2 Ų25.20%013%0.132CC..Hα-helixtrans-54.4-45.5-179.6-560000111.3Y1281 D1340 P1341 V1342 V1346 R1347 L1348Y1281-S1344 WeakPolarHBondContact OH-CB 3.03Å; Y1281-S1344 PolarHBondContact OH-OG 2.99Å; D1340-S1344 VanDerWaalsContact O-CB 3.3Å; D1340-S1344 WeakPolarHBondContact O-CB 3.45Å; D1340-S1344 PolarHBondContact O-N 3.24Å; D1340-S1344 PolarHBondContact O-OG 3.15Å; P1341-S1344 WeakPolarHBondContact O-CB 3.31Å; P1341-S1344 PolarHBondContact O-N 3.48Å; V1342-S1344 VanDerWaalsContact C-N 3.3Å; V1342-S1344 PolarHBondContact O-N 3.18Å; S1344-V1346 PolarHBondContact O-N 3.4Å; S1344-R1347 PolarHBondContact O-N 3.46Å; S1344-R1347 VanDerWaalsContact O-N 3.16Å; S1344-L1348 VanDerWaalsContact O-CG 3.28Å; S1344-L1348 WeakPolarHBondContact O-CG 3.25Å; S1344-L1348 PolarHBondContact O-N 2.95Å
1345I86.7Confident75Confident0 Ų017.6 Ų17.60%010%0.102CC..Hα-helixtrans-62.8-44.3177.6-75148.2000112P1341 V1342 E1343 R1347 L1348 T1349 I1377 W1435P1341-I1345 WeakPolarHBondContact O-CD1 3.27Å; P1341-I1345 PolarHBondContact O-N 2.89Å; V1342-I1345 PolarHBondContact O-N 3.32Å; E1343-I1345 VanDerWaalsContact C-N 3.29Å; E1343-I1345 PolarHBondContact O-N 3.11Å; I1345-R1347 PolarHBondContact O-N 2.99Å; I1345-L1348 PolarHBondContact O-N 3.38Å; I1345-T1349 HydrophobicContact CG2-CG2 4.41Å; I1345-T1349 WeakPolarHBondContact O-CG2 3.44Å; I1345-T1349 PolarHBondContact O-N 3.18Å; I1345-T1349 PolarHBondContact O-OG1 3.45Å; I1345-I1377 HydrophobicContact CD1-CG2 3.59Å; I1345-I1377 HydrophobicContact CG1-CD1 4.11Å; I1345-I1377 HydrophobicContact CG1-CG2 4.19Å; I1345-W1435 HydrophobicContact CD1-CD2 3.32Å; I1345-W1435 HydrophobicContact CD1-CE3 3.6Å; I1345-W1435 HydrophobicContact CD1-CG 4.02Å; I1345-W1435 HydrophobicContact CD1-CH2 3.27Å; I1345-W1435 HydrophobicContact CD1-CZ2 3.01Å; I1345-W1435 HydrophobicContact CD1-CZ3 3.57Å; I1345-W1435 HydrophobicContact CG1-CD2 4.21Å; I1345-W1435 HydrophobicContact CG1-CE3 4.46Å; I1345-W1435 HydrophobicContact CG1-CZ2 4.47Å; I1345-W1435 HydrophobicContact CG2-CD2 4.36Å; I1345-W1435 HydrophobicContact CG2-CE3 3.99Å; I1345-W1435 HydrophobicContact CG2-CZ3 4.38Å
1346V85.7Confident76.2Confident0 Ų017.1 Ų17.10%010%0.101CC..Hα-helixtrans-56.4-41.7175.9177.20000110.6V1342 E1343 S1344 T1349 L1350 L1396 V1399 L1401 Y1408 L1411V1342-V1346 PolarHBondContact O-N 3.33Å; E1343-V1346 WeakPolarHBondContact O-CB 3.44Å; E1343-V1346 PolarHBondContact O-N 3.25Å; S1344-V1346 PolarHBondContact O-N 3.4Å; V1346-T1349 PolarHBondContact O-N 2.99Å; V1346-T1349 PolarHBondContact O-OG1 2.94Å; V1346-L1350 WeakPolarHBondContact O-CG 3.11Å; V1346-L1350 PolarHBondContact O-N 2.96Å; V1346-L1350 VanDerWaalsContact O-N 3.12Å; V1346-L1396 HydrophobicContact CG2-CD2 4.01Å; V1346-V1399 HydrophobicContact CB-CG1 4.24Å; V1346-V1399 HydrophobicContact CG1-CG1 4.34Å; V1346-V1399 HydrophobicContact CG2-CB 4.25Å; V1346-V1399 HydrophobicContact CG2-CG1 3.84Å; V1346-V1399 HydrophobicContact CG2-CG2 4.38Å; V1346-L1401 HydrophobicContact CG1-CD2 3.41Å; V1346-L1401 VanDerWaalsContact CG1-CD2 3.41Å; V1346-Y1408 HydrophobicContact CB-CD2 4.27Å; V1346-Y1408 HydrophobicContact CB-CE2 4.15Å; V1346-Y1408 HydrophobicContact CG1-CD2 3.99Å; V1346-Y1408 HydrophobicContact CG1-CE2 4.23Å; V1346-Y1408 HydrophobicContact CG2-CD2 3.63Å; V1346-Y1408 HydrophobicContact CG2-CE2 3.62Å; V1346-Y1408 HydrophobicContact CG2-CG 4.49Å; V1346-L1411 HydrophobicContact CG1-CD2 4.1Å
1347R86.1Confident77.2Confident1 Ų116.6 Ų16.60%0.00410%0.099CC..Hα-helixtrans-74.9-34.7-179.9-73.679.1-178.2154.7-1.1112.6E1278 Y1281 I1285 E1343 S1344 I1345 T1349 L1350 G1351 K1400E1278-R1347 VanDerWaalsContact CD-NH2 3.29Å; E1278-R1347 IonicContact OE1-CZ 3.73Å; E1278-R1347 IonicContact OE1-NE 3.56Å; E1278-R1347 IonicContact OE1-NH2 2.83Å; E1278-R1347 PolarHBondContact OE1-NH2 3.14Å; E1278-R1347 IonicContact OE2-CZ 2.8Å; E1278-R1347 IonicContact OE2-NE 2.77Å; E1278-R1347 PolarHBondContact OE2-NE 3.01Å; E1278-R1347 IonicContact OE2-NH2 3.68Å; E1278-R1347 PolarHBondContact OE2-NH2 2.92Å; Y1281-R1347 HydrophobicContact CD1-CB 3.79Å; Y1281-R1347 HydrophobicContact CD1-CG 4.47Å; Y1281-R1347 HydrophobicContact CD2-CB 4.13Å; Y1281-R1347 HydrophobicContact CD2-CG 3.98Å; Y1281-R1347 HydrophobicContact CE1-CB 4.44Å; Y1281-R1347 HydrophobicContact CG-CB 3.61Å; Y1281-R1347 HydrophobicContact CG-CG 3.79Å; I1285-R1347 HydrophobicContact CD1-CG 4.32Å; I1285-R1347 HydrophobicContact CG1-CG 4.39Å; E1343-R1347 VanDerWaalsContact CB-NH1 3.29Å; E1343-R1347 WeakPolarHBondContact O-CD 3.21Å; E1343-R1347 PolarHBondContact O-N 2.75Å; E1343-R1347 PolarHBondContact O-NH1 3.49Å; E1343-R1347 VanDerWaalsContact O-NH1 3.08Å; S1344-R1347 PolarHBondContact O-N 3.46Å; S1344-R1347 VanDerWaalsContact O-N 3.16Å; I1345-R1347 PolarHBondContact O-N 2.99Å; R1347-T1349 VanDerWaalsContact C-N 3.31Å; R1347-T1349 PolarHBondContact O-N 3.41Å; R1347-L1350 PolarHBondContact O-N 3.46Å; R1347-G1351 PolarHBondContact O-N 3.07Å; R1347-K1400 PolarHBondContact NH2-O 3.39Å
1348L87.6Confident77.6Confident1 Ų117.1 Ų17.11%0.00510%0.099CC..Hα-helixtrans-63.3-37.1171.2-68177000111.6F1284 L1315 S1344 I1345 G1351 S1352 L1370 I1373 L1374 I1377 L1432F1284-L1348 HydrophobicContact CD2-CD2 4.39Å; F1284-L1348 HydrophobicContact CE2-CD2 3.77Å; L1315-L1348 HydrophobicContact CD2-CD2 4.05Å; S1344-L1348 VanDerWaalsContact O-CG 3.28Å; S1344-L1348 WeakPolarHBondContact O-CG 3.25Å; S1344-L1348 PolarHBondContact O-N 2.95Å; I1345-L1348 PolarHBondContact O-N 3.38Å; L1348-G1351 PolarHBondContact O-N 3.23Å; L1348-S1352 WeakPolarHBondContact O-CB 3.46Å; L1348-S1352 PolarHBondContact O-N 2.81Å; L1348-S1352 PolarHBondContact O-OG 2.83Å; L1348-L1370 HydrophobicContact CD1-CD1 4.21Å; L1348-L1370 HydrophobicContact CD2-CD1 4.2Å; L1348-I1373 HydrophobicContact CD1-CG2 3.77Å; L1348-L1374 HydrophobicContact CD1-CD2 4.29Å; L1348-I1377 HydrophobicContact CD1-CD1 3.9Å; L1348-L1432 HydrophobicContact CB-CD1 4.44Å
1349T87.8Confident77.7Confident0 Ų016.7 Ų16.70%010%0.099CC..Hα-helixtrans-65.9-42.5174.959.80000111.9I1345 V1346 R1347 G1351 S1352 I1353 L1411 L1415 L1432I1345-T1349 HydrophobicContact CG2-CG2 4.41Å; I1345-T1349 WeakPolarHBondContact O-CG2 3.44Å; I1345-T1349 PolarHBondContact O-N 3.18Å; I1345-T1349 PolarHBondContact O-OG1 3.45Å; V1346-T1349 PolarHBondContact O-N 2.99Å; V1346-T1349 PolarHBondContact O-OG1 2.94Å; R1347-T1349 VanDerWaalsContact C-N 3.31Å; R1347-T1349 PolarHBondContact O-N 3.41Å; T1349-G1351 PolarHBondContact O-N 2.92Å; T1349-S1352 PolarHBondContact O-N 3.19Å; T1349-I1353 WeakPolarHBondContact O-CD1 3.22Å; T1349-I1353 VanDerWaalsContact O-CG1 3.27Å; T1349-I1353 WeakPolarHBondContact O-CG1 3.47Å; T1349-I1353 PolarHBondContact O-N 3.39Å; T1349-L1411 VanDerWaalsContact OG1-CD2 3.25Å; T1349-L1411 WeakPolarHBondContact OG1-CD2 3.32Å; T1349-L1415 HydrophobicContact CG2-CD1 4.38Å; T1349-L1415 HydrophobicContact CG2-CD2 3.76Å; T1349-L1432 HydrophobicContact CG2-CD1 4.06Å; T1349-L1432 HydrophobicContact CG2-CD2 4.42Å; T1349-L1432 HydrophobicContact CG2-CG 4.24Å
1350L85.7Confident77.6Confident1 Ų116.4 Ų16.41%0.00510%0.1CC..Hα-helixtrans-57.8-48.8173.2-71166.3000111.7I1285 Y1288 V1346 R1347 S1352 I1353 S1354 P1402 L1411I1285-L1350 HydrophobicContact CG1-CD1 4.5Å; Y1288-L1350 HydrophobicContact CD1-CD2 3.5Å; Y1288-L1350 HydrophobicContact CD2-CB 4.44Å; Y1288-L1350 HydrophobicContact CD2-CD2 3.94Å; Y1288-L1350 WeakPolarHBondContact CD2-O 3.36Å; Y1288-L1350 HydrophobicContact CE1-CD2 3.53Å; Y1288-L1350 HydrophobicContact CE2-CD2 3.98Å; Y1288-L1350 HydrophobicContact CG-CB 4.26Å; Y1288-L1350 HydrophobicContact CG-CD2 3.68Å; V1346-L1350 WeakPolarHBondContact O-CG 3.11Å; V1346-L1350 PolarHBondContact O-N 2.96Å; V1346-L1350 VanDerWaalsContact O-N 3.12Å; R1347-L1350 PolarHBondContact O-N 3.46Å; L1350-S1352 VanDerWaalsContact C-N 3.32Å; L1350-S1352 PolarHBondContact O-N 3.24Å; L1350-I1353 PolarHBondContact O-N 3.23Å; L1350-S1354 PolarHBondContact O-N 3.11Å; L1350-S1354 VanDerWaalsContact O-N 3.11Å; L1350-P1402 HydrophobicContact CD1-CG 3.74Å; L1350-L1411 HydrophobicContact CD2-CD1 3.45Å; L1350-L1411 VanDerWaalsContact CD2-CD1 3.45Å; L1350-L1411 HydrophobicContact CD2-CD2 4.1Å; L1350-L1411 HydrophobicContact CD2-CG 4.44Å; L1350-L1411 HydrophobicContact CG-CD1 4.2Å; L1350-L1411 HydrophobicContact CG-CD2 4.07Å
1351G83.5Confident77.9Confident0 Ų013.1 Ų13.10%08%0.082CC..Hα-helixtrans-59.3-42.1177.300000112.6R1347 L1348 T1349 S1354R1347-G1351 PolarHBondContact O-N 3.07Å; L1348-G1351 PolarHBondContact O-N 3.23Å; T1349-G1351 PolarHBondContact O-N 2.92Å; G1351-S1354 PolarHBondContact O-N 2.81Å; G1351-S1354 PolarHBondContact O-OG 3.11Å
1352S85.4Confident78.2Confident1 Ų110.4 Ų10.41%0.0077%0.065CC..Hα-helixtrans-68.9-38.1-179.1-570000113.2L1348 T1349 L1350 S1354 L1432L1348-S1352 WeakPolarHBondContact O-CB 3.46Å; L1348-S1352 PolarHBondContact O-N 2.81Å; L1348-S1352 PolarHBondContact O-OG 2.83Å; T1349-S1352 PolarHBondContact O-N 3.19Å; L1350-S1352 VanDerWaalsContact C-N 3.32Å; L1350-S1352 PolarHBondContact O-N 3.24Å; S1352-S1354 VanDerWaalsContact C-N 3.32Å; S1352-L1432 WeakPolarHBondContact OG-CD2 3.45Å
1353I84.4Confident78.4Confident19 Ų1910.9 Ų10.910%0.0977%0.066CC..Hα-helixtrans-70.3-31.6177.2-65.4160.8000111.2Y1288 T1349 L1350 Y1355 L1411 D1414 L1415Y1288-I1353 HydrophobicContact CD2-CB 4.41Å; Y1288-I1353 HydrophobicContact CD2-CG2 4.37Å; Y1288-I1353 HydrophobicContact CE2-CB 4.18Å; Y1288-I1353 HydrophobicContact CE2-CG2 3.83Å; T1349-I1353 WeakPolarHBondContact O-CD1 3.22Å; T1349-I1353 VanDerWaalsContact O-CG1 3.27Å; T1349-I1353 WeakPolarHBondContact O-CG1 3.47Å; T1349-I1353 PolarHBondContact O-N 3.39Å; L1350-I1353 PolarHBondContact O-N 3.23Å; I1353-Y1355 PolarHBondContact O-N 3.18Å; I1353-L1411 HydrophobicContact CD1-CD1 3.6Å; I1353-L1411 HydrophobicContact CD1-CG 4.01Å; I1353-L1411 WeakPolarHBondContact CD1-O 3.33Å; I1353-D1414 HydrophobicContact CD1-CB 4.03Å; I1353-D1414 HydrophobicContact CG2-CB 4.5Å; I1353-L1415 HydrophobicContact CD1-CB 4.07Å; I1353-L1415 HydrophobicContact CD1-CD1 4.42Å; I1353-L1415 HydrophobicContact CG1-CB 4.26Å; I1353-L1415 HydrophobicContact CG1-CD1 3.99Å
1354S80.1Confident78.3Confident5 Ų514.3 Ų14.34%0.0358%0.082CC..THydrogen-bonded Turntrans-67.2-17.8-176.275.40000114.8L1350 G1351 S1352 P1356L1350-S1354 PolarHBondContact O-N 3.11Å; L1350-S1354 VanDerWaalsContact O-N 3.11Å; G1351-S1354 PolarHBondContact O-N 2.81Å; G1351-S1354 PolarHBondContact O-OG 3.11Å; S1352-S1354 VanDerWaalsContact C-N 3.32Å; S1354-P1356 WeakPolarHBondContact O-CD 3.36Å
1355Y81.4Confident78.2Confident23 Ų2316.6 Ų16.69%0.0910%0.097CC..  trans-89.1116.3-176.5-179.6-101.7000111.3I1307 L1308 I1353 G1357 L1361 H1418I1307-Y1355 HydrophobicContact CB-CD2 4.26Å; I1307-Y1355 HydrophobicContact CG2-CD2 3.87Å; L1308-Y1355 HydrophobicContact CB-CE2 3.95Å; L1308-Y1355 HydrophobicContact CD1-CE2 4.13Å; I1353-Y1355 PolarHBondContact O-N 3.18Å; Y1355-G1357 VanDerWaalsContact C-N 3.33Å; Y1355-G1357 WeakPolarHBondContact CE1-O 3.27Å; Y1355-G1357 PolarHBondContact O-N 3.35Å; Y1355-L1361 HydrophobicContact CG-CD2 4.34Å; Y1355-H1418 PolarHBondContact O-CE1 2.86Å; Y1355-H1418 PolarHBondContact O-NE2 3.41Å
1356P70.9Confident78.2Confident28 Ų2816.9 Ų16.918%0.18210%0.098CC..  trans-84.2-3.6-175.333.2-35.4000114.1R1304 I1307 S1354R1304-P1356 HydrophobicContact CG-CG 4.28Å; I1307-P1356 HydrophobicContact CD1-CG 4.46Å; S1354-P1356 WeakPolarHBondContact O-CD 3.36Å
1357G69.3Low78.1Confident0 Ų017 Ų170%010%0.1CC..SBendtrans-78.2144.3-172.400000113.9Y1355 G1359 G1360Y1355-G1357 VanDerWaalsContact C-N 3.33Å; Y1355-G1357 WeakPolarHBondContact CE1-O 3.27Å; Y1355-G1357 PolarHBondContact O-N 3.35Å; G1357-G1359 PolarHBondContact O-N 2.86Å; G1357-G1360 PolarHBondContact O-N 2.64Å; G1357-G1360 VanDerWaalsContact O-N 3.16Å
1358A58.7Low78Confident50 Ų5020.1 Ų20.141%0.41311%0.114SC..THydrogen-bonded Turntrans-54.5118.4167.700000110.7Y1424A1358-Y1424 HydrophobicContact CB-CE2 3.49Å; A1358-Y1424 VanDerWaalsContact CB-CE2 3.49Å; A1358-Y1424 VanDerWaalsContact CB-OH 3.31Å; A1358-Y1424 WeakPolarHBondContact CB-OH 3.5Å
1359G58.7Low78Confident6 Ų620.5 Ų20.56%0.06212%0.117CC..THydrogen-bonded Turntrans115.5-26.8-178.300000113.3G1357 F1363 L1422 Y1424G1357-G1359 PolarHBondContact O-N 2.86Å; G1359-F1363 VanDerWaalsContact C-CD2 3.45Å; G1359-F1363 WeakPolarHBondContact O-CD2 3.45Å; G1359-F1363 WeakPolarHBondContact O-CE2 3.4Å; G1359-L1422 CarbonylContact C-O 3.54Å; G1359-L1422 WeakPolarHBondContact CA-O 3.31Å; G1359-L1422 PolarHBondContact N-O 3.45Å; G1359-Y1424 VanDerWaalsContact N-CE2 3.35Å
1360G63.8Low78Confident6 Ų620.6 Ų20.66%0.06212%0.117CC..G310 helixtrans62-174.5-172.600000113.2G1357 G1362G1357-G1360 PolarHBondContact O-N 2.64Å; G1357-G1360 VanDerWaalsContact O-N 3.16Å; G1360-G1362 PolarHBondContact O-N 3.06Å
1361L75.2Confident78Confident2 Ų220.6 Ų20.61%0.0112%0.117CC..G310 helixtrans-72.614171.3-59.4178.1000113.3F1284 L1308 S1311 Y1355 T1366 G1367F1284-L1361 HydrophobicContact CZ-CD1 4.32Å; L1308-L1361 HydrophobicContact CD1-CD2 4.34Å; S1311-L1361 WeakPolarHBondContact OG-CD2 3.27Å; Y1355-L1361 HydrophobicContact CG-CD2 4.34Å; L1361-T1366 HydrophobicContact CD2-CG2 4.43Å; L1361-T1366 CarbonylContact O-C 3.57Å; L1361-T1366 VanDerWaalsContact O-C 3.32Å; L1361-T1366 PolarHBondContact O-OG1 3.27Å; L1361-G1367 VanDerWaalsContact O-CA 3.24Å; L1361-G1367 WeakPolarHBondContact O-CA 3.44Å; L1361-G1367 PolarHBondContact O-N 2.82Å; L1361-G1367 VanDerWaalsContact O-N 3.12Å
1362G76Confident78Confident3 Ų321.8 Ų21.83%0.03112%0.123CC..G310 helixtrans-94.62.8-173.100000114.7G1360 S1426G1360-G1362 PolarHBondContact O-N 3.06Å; G1362-S1426 PolarHBondContact O-OG 3.31Å
1363F78.5Confident78.1Confident23 Ų2321.8 Ų21.810%0.10112%0.122CC..SBendtrans-124.6169.5-178.8-64.8-75.9000111.9G1359 T1366 G1367 S1423 V1591G1359-F1363 VanDerWaalsContact C-CD2 3.45Å; G1359-F1363 WeakPolarHBondContact O-CD2 3.45Å; G1359-F1363 WeakPolarHBondContact O-CE2 3.4Å; F1363-T1366 PolarHBondContact O-OG1 2.78Å; F1363-G1367 PolarHBondContact O-N 3.13Å; F1363-S1423 WeakPolarHBondContact CE2-O 3.14Å; F1363-S1423 WeakPolarHBondContact CZ-O 3.27Å; F1363-V1591 HydrophobicContact CD1-CB 4.23Å; F1363-V1591 WeakPolarHBondContact CD1-O 3.47Å; F1363-V1591 HydrophobicContact CE1-CB 3.75Å; F1363-V1591 HydrophobicContact CE1-CG1 3.8Å
1364E76.8Confident78.2Confident132 Ų13221 Ų2162%0.61712%0.118SC*.Hα-helixtrans50.6-153.8177.4-47.3-160.2143.400112.4T1366 G1367 Q1368E1364-T1366 PolarHBondContact O-N 2.84Å; E1364-G1367 PolarHBondContact O-N 2.84Å; E1364-Q1368 PolarHBondContact O-N 3.19Å
1365P79.8Confident78.3Confident48 Ų4825.1 Ų25.131%0.31213%0.134SC..Hα-helixtrans-67.8-23.8-172.929-34.8000112.6L1312 Q1368 L1369L1312-P1365 HydrophobicContact CD1-CB 3.96Å; L1312-P1365 HydrophobicContact CD1-CG 3.83Å; L1312-P1365 HydrophobicContact CD2-CG 4.09Å; P1365-Q1368 PolarHBondContact O-N 3.32Å; P1365-L1369 VanDerWaalsContact O-CG 3.25Å; P1365-L1369 WeakPolarHBondContact O-CG 3.36Å; P1365-L1369 PolarHBondContact O-N 2.68Å
1366T86.5Confident78.3Confident5 Ų525.5 Ų25.53%0.03114%0.14CC..Hα-helixtrans-65.5-43.1176.252.40000111.2L1308 L1312 L1315 L1361 F1363 E1364 Q1368 L1369 L1370L1308-T1366 HydrophobicContact CD1-CG2 4.07Å; L1312-T1366 HydrophobicContact CB-CG2 3.77Å; L1312-T1366 HydrophobicContact CD1-CG2 3.88Å; L1312-T1366 HydrophobicContact CG-CG2 4.38Å; L1315-T1366 HydrophobicContact CD1-CG2 4.29Å; L1361-T1366 HydrophobicContact CD2-CG2 4.43Å; L1361-T1366 CarbonylContact O-C 3.57Å; L1361-T1366 VanDerWaalsContact O-C 3.32Å; L1361-T1366 PolarHBondContact O-OG1 3.27Å; F1363-T1366 PolarHBondContact O-OG1 2.78Å; E1364-T1366 PolarHBondContact O-N 2.84Å; T1366-Q1368 PolarHBondContact O-N 3.14Å; T1366-L1369 PolarHBondContact O-N 3.33Å; T1366-L1370 VanDerWaalsContact O-CB 3.31Å; T1366-L1370 WeakPolarHBondContact O-CB 3.2Å; T1366-L1370 PolarHBondContact O-N 2.65Å
1367G84.5Confident78.8Confident3 Ų324.9 Ų24.93%0.03114%0.135CC..Hα-helixtrans-61.1-42.7175.400000112.6L1361 F1363 E1364 L1370 A1371 V1428L1361-G1367 VanDerWaalsContact O-CA 3.24Å; L1361-G1367 WeakPolarHBondContact O-CA 3.44Å; L1361-G1367 PolarHBondContact O-N 2.82Å; L1361-G1367 VanDerWaalsContact O-N 3.12Å; F1363-G1367 PolarHBondContact O-N 3.13Å; E1364-G1367 PolarHBondContact O-N 2.84Å; G1367-L1370 PolarHBondContact O-N 2.84Å; G1367-A1371 WeakPolarHBondContact O-CB 3.1Å; G1367-A1371 PolarHBondContact O-N 2.79Å; G1367-V1428 WeakPolarHBondContact O-CG1 3.47Å
1368Q84Confident79.2Confident66 Ų6625.6 Ų25.631%0.30814%0.143SC..Hα-helixtrans-62.4-47.5176.3-174.8-174.1-20.600111.6E1364 P1365 T1366 A1371 E1372 N1586E1364-Q1368 PolarHBondContact O-N 3.19Å; P1365-Q1368 PolarHBondContact O-N 3.32Å; T1366-Q1368 PolarHBondContact O-N 3.14Å; Q1368-A1371 WeakPolarHBondContact O-CB 3.43Å; Q1368-A1371 PolarHBondContact O-N 2.93Å; Q1368-E1372 PolarHBondContact NE2-OE1 3.26Å; Q1368-E1372 PolarHBondContact O-N 2.85Å; Q1368-N1586 PolarHBondContact NE2-OD1 2.91Å
1369L86.7Confident80.2Confident10 Ų1025 Ų255%0.05213%0.134CC..Hα-helixtrans-63.7-43.1179.2-68.8168.4000111.8Y1191 L1312 L1315 T1316 N1319 P1365 T1366 A1371 E1372 I1373Y1191-L1369 HydrophobicContact CE1-CD1 4.5Å; Y1191-L1369 HydrophobicContact CE1-CD2 4.38Å; L1312-L1369 HydrophobicContact CD1-CD1 3.63Å; L1315-L1369 HydrophobicContact CB-CB 3.99Å; L1315-L1369 HydrophobicContact CB-CD1 4.02Å; T1316-L1369 WeakPolarHBondContact OG1-CD1 3.33Å; N1319-L1369 HydrophobicContact CB-CD2 4.17Å; N1319-L1369 WeakPolarHBondContact ND2-CD2 3.35Å; P1365-L1369 VanDerWaalsContact O-CG 3.25Å; P1365-L1369 WeakPolarHBondContact O-CG 3.36Å; P1365-L1369 PolarHBondContact O-N 2.68Å; T1366-L1369 PolarHBondContact O-N 3.33Å; L1369-A1371 VanDerWaalsContact C-N 3.29Å; L1369-A1371 PolarHBondContact O-N 2.88Å; L1369-E1372 PolarHBondContact O-N 2.82Å; L1369-I1373 WeakPolarHBondContact O-CD1 3.42Å; L1369-I1373 VanDerWaalsContact O-CG1 3.25Å; L1369-I1373 WeakPolarHBondContact O-CG1 3.29Å; L1369-I1373 PolarHBondContact O-N 3.4Å
1370L87.8Confident81Confident1 Ų125.5 Ų25.51%0.00514%0.135CC..Hα-helixtrans-60.8-40.8176.9-178.762.3000111.1L1315 L1348 T1366 G1367 I1373 L1374 V1428L1315-L1370 HydrophobicContact CD2-CD1 4.43Å; L1348-L1370 HydrophobicContact CD1-CD1 4.21Å; L1348-L1370 HydrophobicContact CD2-CD1 4.2Å; T1366-L1370 VanDerWaalsContact O-CB 3.31Å; T1366-L1370 WeakPolarHBondContact O-CB 3.2Å; T1366-L1370 PolarHBondContact O-N 2.65Å; G1367-L1370 PolarHBondContact O-N 2.84Å; L1370-I1373 PolarHBondContact O-N 3.48Å; L1370-L1374 HydrophobicContact CD1-CD1 4.42Å; L1370-L1374 HydrophobicContact CD1-CG 4.44Å; L1370-L1374 HydrophobicContact CG-CD1 4.16Å; L1370-L1374 WeakPolarHBondContact O-CB 3.18Å; L1370-L1374 VanDerWaalsContact O-CG 3.29Å; L1370-L1374 WeakPolarHBondContact O-CG 3.32Å; L1370-L1374 PolarHBondContact O-N 2.85Å; L1370-V1428 HydrophobicContact CB-CG1 4.01Å; L1370-V1428 HydrophobicContact CD2-CG1 3.88Å; L1370-V1428 HydrophobicContact CG-CG1 3.94Å
1371A85Confident81.3Confident1 Ų133.1 Ų33.11%0.00817%0.167CC..Hα-helixtrans-64.9-43.2175.500000113G1367 Q1368 L1369 I1373 L1374 Y1375 V1428 L1585 L1589G1367-A1371 WeakPolarHBondContact O-CB 3.1Å; G1367-A1371 PolarHBondContact O-N 2.79Å; Q1368-A1371 WeakPolarHBondContact O-CB 3.43Å; Q1368-A1371 PolarHBondContact O-N 2.93Å; L1369-A1371 VanDerWaalsContact C-N 3.29Å; L1369-A1371 PolarHBondContact O-N 2.88Å; A1371-I1373 VanDerWaalsContact C-N 3.34Å; A1371-L1374 PolarHBondContact O-N 2.79Å; A1371-Y1375 VanDerWaalsContact O-CB 3.31Å; A1371-Y1375 WeakPolarHBondContact O-CB 3.46Å; A1371-Y1375 PolarHBondContact O-N 3.34Å; A1371-V1428 HydrophobicContact CB-CG1 4.03Å; A1371-V1428 HydrophobicContact CB-CG2 4.07Å; A1371-L1585 HydrophobicContact CB-CD2 4.15Å; A1371-L1589 HydrophobicContact CB-CD1 3.46Å; A1371-L1589 VanDerWaalsContact CB-CD1 3.46Å
1372E84.9Confident80.4Confident26 Ų2637.6 Ų37.612%0.12120%0.196CC..Hα-helixtrans-59.8-44.2174.5-76.7-178.7-151.300111.5N1319 K1323 Q1368 L1369 Y1375 S1376 L1585N1319-E1372 PolarHBondContact ND2-OE2 3.32Å; K1323-E1372 IonicContact NZ-OE2 3.94Å; K1323-E1372 PolarHBondContact NZ-OE2 2.9Å; Q1368-E1372 PolarHBondContact NE2-OE1 3.26Å; Q1368-E1372 PolarHBondContact O-N 2.85Å; L1369-E1372 PolarHBondContact O-N 2.82Å; E1372-Y1375 PolarHBondContact O-N 2.71Å; E1372-S1376 WeakPolarHBondContact O-CB 3.5Å; E1372-S1376 PolarHBondContact O-N 2.96Å; E1372-S1376 PolarHBondContact O-OG 3.2Å; E1372-L1585 HydrophobicContact CB-CD1 4.34Å; E1372-L1585 HydrophobicContact CG-CD1 3.64Å
1373I86.8Confident78.9Confident0 Ų041.5 Ų41.50%022%0.223CC..Hα-helixtrans-64.3-49.7177.7-65.6161.3000110.3L1315 I1318 N1319 L1348 L1369 L1370 A1371 Y1375 S1376 I1377L1315-I1373 HydrophobicContact CB-CD1 4.37Å; L1315-I1373 HydrophobicContact CD2-CD1 3.68Å; I1318-I1373 HydrophobicContact CB-CD1 4.08Å; I1318-I1373 HydrophobicContact CG2-CD1 3.75Å; I1318-I1373 HydrophobicContact CG2-CG1 4.18Å; I1318-I1373 HydrophobicContact CG2-CG2 4.22Å; N1319-I1373 HydrophobicContact CB-CD1 4.15Å; N1319-I1373 HydrophobicContact CB-CG1 3.91Å; L1348-I1373 HydrophobicContact CD1-CG2 3.77Å; L1369-I1373 WeakPolarHBondContact O-CD1 3.42Å; L1369-I1373 VanDerWaalsContact O-CG1 3.25Å; L1369-I1373 WeakPolarHBondContact O-CG1 3.29Å; L1369-I1373 PolarHBondContact O-N 3.4Å; L1370-I1373 PolarHBondContact O-N 3.48Å; A1371-I1373 VanDerWaalsContact C-N 3.34Å; I1373-Y1375 VanDerWaalsContact C-N 3.28Å; I1373-Y1375 PolarHBondContact O-N 3.06Å; I1373-S1376 WeakPolarHBondContact CA-OG 3.35Å; I1373-S1376 PolarHBondContact O-N 3.01Å; I1373-S1376 VanDerWaalsContact O-N 3.09Å; I1373-S1376 PolarHBondContact O-OG 2.7Å; I1373-I1377 HydrophobicContact CG2-CD1 3.81Å; I1373-I1377 HydrophobicContact CG2-CG1 4.36Å; I1373-I1377 WeakPolarHBondContact O-CG1 3.4Å; I1373-I1377 PolarHBondContact O-N 2.82Å
1374L85.9Confident76.9Confident3 Ų346.2 Ų46.22%0.01626%0.259CS..Hα-helixtrans-59.2-39.7178-73.4172.2000112.5L1348 L1370 A1371 S1376 I1377 G1378 N1431 L1432 V1468L1348-L1374 HydrophobicContact CD1-CD2 4.29Å; L1370-L1374 HydrophobicContact CD1-CD1 4.42Å; L1370-L1374 HydrophobicContact CD1-CG 4.44Å; L1370-L1374 HydrophobicContact CG-CD1 4.16Å; L1370-L1374 WeakPolarHBondContact O-CB 3.18Å; L1370-L1374 VanDerWaalsContact O-CG 3.29Å; L1370-L1374 WeakPolarHBondContact O-CG 3.32Å; L1370-L1374 PolarHBondContact O-N 2.85Å; A1371-L1374 PolarHBondContact O-N 2.79Å; L1374-S1376 VanDerWaalsContact C-N 3.32Å; L1374-S1376 PolarHBondContact O-N 3.31Å; L1374-I1377 PolarHBondContact O-N 3.37Å; L1374-G1378 PolarHBondContact O-N 3.42Å; L1374-G1378 VanDerWaalsContact O-N 3.16Å; L1374-N1431 HydrophobicContact CD1-CB 4.45Å; L1374-L1432 HydrophobicContact CD1-CB 4.15Å; L1374-L1432 HydrophobicContact CD1-CD1 4.4Å; L1374-L1432 HydrophobicContact CD2-CD1 3.89Å; L1374-V1468 HydrophobicContact CB-CG1 4.14Å
1375Y83.2Confident74.8Confident91 Ų9144.4 Ų44.436%0.35726%0.257SS..Hα-helixtrans-62.6-41.5176.1-178.3-104.4000111.7A1371 E1372 I1373 G1378 V1468 I1583 L1585A1371-Y1375 VanDerWaalsContact O-CB 3.31Å; A1371-Y1375 WeakPolarHBondContact O-CB 3.46Å; A1371-Y1375 PolarHBondContact O-N 3.34Å; E1372-Y1375 PolarHBondContact O-N 2.71Å; I1373-Y1375 VanDerWaalsContact C-N 3.28Å; I1373-Y1375 PolarHBondContact O-N 3.06Å; Y1375-G1378 PolarHBondContact O-N 2.98Å; Y1375-V1468 HydrophobicContact CD2-CG1 4.11Å; Y1375-V1468 HydrophobicContact CG-CG1 4.43Å; Y1375-V1468 VanDerWaalsContact N-CG1 3.35Å; Y1375-I1583 HydrophobicContact CD2-CD1 4.21Å; Y1375-I1583 HydrophobicContact CE2-CD1 4.16Å; Y1375-L1585 HydrophobicContact CD1-CD1 4.44Å; Y1375-L1585 HydrophobicContact CG-CD1 4.41Å
1376S80.7Confident72.4Confident32 Ų3249.1 Ų49.122%0.22427%0.273CS..Hα-helixtrans-71.9-32.2179.971.40000114.1Q1322 E1372 I1373 L1374 G1378Q1322-S1376 WeakPolarHBondContact CG-OG 3.47Å; E1372-S1376 WeakPolarHBondContact O-CB 3.5Å; E1372-S1376 PolarHBondContact O-N 2.96Å; E1372-S1376 PolarHBondContact O-OG 3.2Å; I1373-S1376 WeakPolarHBondContact CA-OG 3.35Å; I1373-S1376 PolarHBondContact O-N 3.01Å; I1373-S1376 VanDerWaalsContact O-N 3.09Å; I1373-S1376 PolarHBondContact O-OG 2.7Å; L1374-S1376 VanDerWaalsContact C-N 3.32Å; L1374-S1376 PolarHBondContact O-N 3.31Å; S1376-G1378 VanDerWaalsContact C-N 3.34Å
1377I81.5Confident69.6Low15 Ų1560.7 Ų60.78%0.07732%0.316CS..Hα-helixtrans-66.9-40.2174-68.5171.9000110P1341 I1345 L1348 I1373 L1374P1341-I1377 HydrophobicContact CB-CG2 3.83Å; I1345-I1377 HydrophobicContact CD1-CG2 3.59Å; I1345-I1377 HydrophobicContact CG1-CD1 4.11Å; I1345-I1377 HydrophobicContact CG1-CG2 4.19Å; L1348-I1377 HydrophobicContact CD1-CD1 3.9Å; I1373-I1377 HydrophobicContact CG2-CD1 3.81Å; I1373-I1377 HydrophobicContact CG2-CG1 4.36Å; I1373-I1377 WeakPolarHBondContact O-CG1 3.4Å; I1373-I1377 PolarHBondContact O-N 2.82Å; L1374-I1377 PolarHBondContact O-N 3.37Å
1378G78.9Confident67Low15 Ų1567.6 Ų67.616%0.15535%0.352CS..  trans70.4-170176.600000114L1374 Y1375 S1376 W1435L1374-G1378 PolarHBondContact O-N 3.42Å; L1374-G1378 VanDerWaalsContact O-N 3.16Å; Y1375-G1378 PolarHBondContact O-N 2.98Å; S1376-G1378 VanDerWaalsContact C-N 3.34Å; G1378-W1435 PolarHBondContact O-NE1 3.26Å
1379P78.9Confident64.4Low37 Ų3768.2 Ų68.224%0.2436%0.357CS..SBendtrans-76.5161.3177.632.2-35.4000112.1K1381 Q1438 I1469 P1470 S1473P1379-K1381 PolarHBondContact O-N 3.24Å; P1379-Q1438 VanDerWaalsContact CA-OE1 3.25Å; P1379-I1469 HydrophobicContact CB-CG2 4.17Å; P1379-P1470 HydrophobicContact CG-CG 4Å; P1379-S1473 VanDerWaalsContact CB-OG 3.26Å; P1379-S1473 WeakPolarHBondContact CB-OG 3.34Å
1380I76.5Confident61.7Low17 Ų1776.6 Ų76.69%0.08739%0.393CS..PPolyproline II helixtrans-60.9124168.3-66.9173.9000108.3W1435 L1440 C1441I1380-W1435 HydrophobicContact CD1-CH2 3.56Å; I1380-W1435 HydrophobicContact CD1-CZ2 4.33Å; I1380-W1435 HydrophobicContact CD1-CZ3 3.79Å; I1380-W1435 HydrophobicContact CG1-CH2 3.22Å; I1380-W1435 HydrophobicContact CG1-CZ2 3.59Å; I1380-W1435 HydrophobicContact CG1-CZ3 3.98Å; I1380-L1440 HydrophobicContact CB-CD1 4.49Å; I1380-L1440 HydrophobicContact CG2-CB 4.22Å; I1380-L1440 HydrophobicContact CG2-CD1 4.2Å; I1380-L1440 VanDerWaalsContact O-CD1 3.31Å; I1380-L1440 WeakPolarHBondContact O-CD1 3.29Å; I1380-C1441 WeakPolarHBondContact CD1-SG 3.24Å
1381K69.8Low59Low166 Ų16684.6 Ų84.672%0.72243%0.43SS*.PPolyproline II helixtrans-85.5135.2175.3-65.6178.9-177173.10109.4P1379 S1383P1379-K1381 PolarHBondContact O-N 3.24Å; K1381-S1383 PolarHBondContact O-N 3.06Å
1382P55.7Low56.6Low95 Ų9588.1 Ų88.162%0.61745%0.452SS*.PPolyproline II helixtrans-63.4132.7165.226.9-30.4000108.2S1384P1382-S1384 PolarHBondContact O-N 2.57Å
1383S44.4Very low54.4Low86 Ų8692.3 Ų92.360%0.60148%0.475SS*.  trans-55.4108.2179.241.60000110.3K1381K1381-S1383 PolarHBondContact O-N 3.06Å
1384S36.7Very low52.5Low122 Ų12296.2 Ų96.285%0.85350%0.5SS*.  trans-84.8-12.6179.353.60000113.1P1382P1382-S1384 PolarHBondContact O-N 2.57Å
1385T31.7Very low51.4Low93 Ų9397.6 Ų97.657%0.57151%0.509SS*.SBendtrans-97.1131.7172.137.90000109.8
1386F30.7Very low50.7Low148 Ų14893.5 Ų93.565%0.64949%0.494SS*.  trans86.477.7-179.1-64.2-84000116.4F1074 N1388F1074-F1386 HydrophobicContact CZ-CD1 4.07Å; F1074-F1386 AromaticContact CZ-CE1 3.88Å; F1074-F1386 HydrophobicContact CZ-CE1 3.88Å; F1074-F1386 HydrophobicContact CZ-CG 4.48Å; F1074-F1386 HydrophobicContact CZ-CZ 4.14Å; F1386-N1388 PolarHBondContact O-N 2.64Å
1387R27Very low50Low248 Ų24896.3 Ų96.394%0.93650%0.503SS*.THydrogen-bonded Turntrans-73.8-3.3175.1-134.9177.8-169.3-175.52.5114.8
1388N30.7Very low49.2Very low148 Ų14899.9 Ų99.979%0.79153%0.525SS*.THydrogen-bonded Turntrans-123.63.4-168.1-80.1-0.2000116.3F1386F1386-N1388 PolarHBondContact O-N 2.64Å
1389D28.6Very low48.7Very low78 Ų78100 Ų10042%0.41752%0.523SS..SBendtrans-144.5136.8177.1-85.3-54.7000114K1077K1077-D1389 VanDerWaalsContact CE-CG 3.47Å; K1077-D1389 IonicContact NZ-OD1 3.22Å; K1077-D1389 PolarHBondContact NZ-OD1 3.19Å; K1077-D1389 IonicContact NZ-OD2 3.99Å; K1077-D1389 PolarHBondContact NZ-OD2 2.95Å
1390K30.7Very low48Very low187 Ų187103.9 Ų103.981%0.81354%0.536SS*.  trans-61.8126.2-163.1-63.8166.6176.21740113.5
1391Q30.2Very low47.5Very low168 Ų168105 Ų10579%0.78554%0.542SS*.  trans42.871.2151.8-62.1-178.9-5.300118.4N1393Q1391-N1393 PolarHBondContact O-N 2.91Å
1392T36.3Very low47.1Very low76 Ų7698.2 Ų98.247%0.46652%0.515SS..  trans-93.283.3154.7490000108.8T1394T1392-T1394 PolarHBondContact O-N 3.45Å
1393N37.4Very low47Very low113 Ų11397.7 Ų97.760%0.60451%0.51SS*.  trans-63.9130.7178.2-70.5-30000109.5Q1391 S1395Q1391-N1393 PolarHBondContact O-N 2.91Å; N1393-S1395 PolarHBondContact O-N 3.38Å
1394T47.8Very low47.5Very low83 Ų8397.9 Ų97.951%0.50950%0.504SS..  trans-63.762158.940.50000109.8T1392T1392-T1394 PolarHBondContact O-N 3.45Å
1395S61.6Low48.5Very low32 Ų3294.2 Ų94.222%0.22447%0.473CS..  trans-83.1130.9-176.761.40000109.7N1393 E1397 V1398N1393-S1395 PolarHBondContact O-N 3.38Å; S1395-E1397 PolarHBondContact O-N 3.19Å; S1395-V1398 PolarHBondContact O-N 2.93Å; S1395-V1398 VanDerWaalsContact O-N 3.07Å; S1395-V1398 WeakPolarHBondContact OG-CG2 3.47Å
1396L68.4Low49.9Very low5 Ų595.4 Ų95.43%0.02648%0.483CS..THydrogen-bonded Turntrans-52.3-13.8170.6-75.9155.5000113.8V1342 V1346 Y1408 W1435 P1436 Y1445V1342-L1396 HydrophobicContact CG1-CD2 3.71Å; V1342-L1396 HydrophobicContact CG1-CG 4.11Å; V1346-L1396 HydrophobicContact CG2-CD2 4.01Å; L1396-Y1408 HydrophobicContact CB-CD1 3.77Å; L1396-Y1408 HydrophobicContact CB-CE1 4.16Å; L1396-Y1408 HydrophobicContact CB-CG 4.28Å; L1396-Y1408 HydrophobicContact CD1-CD1 4.22Å; L1396-Y1408 HydrophobicContact CD1-CE1 3.8Å; L1396-Y1408 HydrophobicContact CD2-CD1 4.16Å; L1396-Y1408 HydrophobicContact CD2-CE1 3.84Å; L1396-Y1408 HydrophobicContact CD2-CE2 4.4Å; L1396-Y1408 HydrophobicContact CG-CD1 4.28Å; L1396-Y1408 HydrophobicContact CG-CE1 4.16Å; L1396-Y1408 WeakPolarHBondContact O-CB 3.41Å; L1396-W1435 HydrophobicContact CD1-CZ3 4.13Å; L1396-W1435 HydrophobicContact CD2-CZ3 4.13Å; L1396-W1435 HydrophobicContact CG-CZ3 4.37Å; L1396-P1436 HydrophobicContact CD1-CB 4.02Å; L1396-P1436 HydrophobicContact CD1-CG 4.47Å; L1396-Y1445 HydrophobicContact CD1-CE2 4.05Å
1397E67.3Low52.2Low90 Ų9090.1 Ų90.142%0.42146%0.464SS..THydrogen-bonded Turntrans-80.9-26.7-178.2-60.7172172.600112.8S1395 V1399 H1442 K1444S1395-E1397 PolarHBondContact O-N 3.19Å; E1397-V1399 VanDerWaalsContact C-N 3.31Å; E1397-H1442 IonicContact OE1-CG 3.34Å; E1397-K1444 VanDerWaalsContact CD-NZ 3.32Å; E1397-K1444 WeakPolarHBondContact OE1-CE 3.1Å; E1397-K1444 IonicContact OE1-NZ 3.82Å; E1397-K1444 PolarHBondContact OE1-NZ 2.93Å
1398V63.5Low55Low90 Ų9078.4 Ų78.455%0.54542%0.42SS..THydrogen-bonded Turntrans-83.5-15.1179.9178.30000111.2S1395 K1400S1395-V1398 PolarHBondContact O-N 2.93Å; S1395-V1398 VanDerWaalsContact O-N 3.07Å; S1395-V1398 WeakPolarHBondContact OG-CG2 3.47Å; V1398-K1400 PolarHBondContact O-N 3.01Å
1399V68.2Low57.8Low17 Ų1773.2 Ų73.210%0.10339%0.389CS..SBendtrans-65.5122.4-179.7179.90000110.1V1342 E1343 V1346 E1397 L1401V1342-V1399 HydrophobicContact CB-CG2 4.49Å; V1342-V1399 HydrophobicContact CG1-CG2 3.69Å; E1343-V1399 HydrophobicContact CG-CG1 4.07Å; V1346-V1399 HydrophobicContact CB-CG1 4.24Å; V1346-V1399 HydrophobicContact CG1-CG1 4.34Å; V1346-V1399 HydrophobicContact CG2-CB 4.25Å; V1346-V1399 HydrophobicContact CG2-CG1 3.84Å; V1346-V1399 HydrophobicContact CG2-CG2 4.38Å; E1397-V1399 VanDerWaalsContact C-N 3.31Å; V1399-L1401 PolarHBondContact O-N 2.98Å
1400K64.6Low60.6Low120 Ų12072.2 Ų72.252%0.52238%0.384SS..PPolyproline II helixtrans-62.4124174.7-65.2-168.5-178.9-166.90109.4T1084 R1347 V1398T1084-K1400 PolarHBondContact O-NZ 3.41Å; R1347-K1400 PolarHBondContact NH2-O 3.39Å; V1398-K1400 PolarHBondContact O-N 3.01Å
1401L66.6Low63.3Low39 Ų3963.4 Ų63.420%0.20435%0.345CS..PPolyproline II helixtrans-98.2155.3176.2-71.8159.9000110.2V1346 V1399 F1405 Y1408 L1411V1346-L1401 HydrophobicContact CG1-CD2 3.41Å; V1346-L1401 VanDerWaalsContact CG1-CD2 3.41Å; V1399-L1401 PolarHBondContact O-N 2.98Å; L1401-F1405 HydrophobicContact CB-CB 4.42Å; L1401-F1405 HydrophobicContact CD1-CB 4.25Å; L1401-Y1408 HydrophobicContact CD2-CD2 4.49Å; L1401-L1411 HydrophobicContact CD2-CD2 4.12Å
1402P60.7Low66.2Low25 Ų2555.4 Ų55.416%0.16231%0.308CS..PPolyproline II helixtrans-53.7149.5166.6-21.131.6000111.2I1285 L1350 N1404I1285-P1402 HydrophobicContact CG2-CG 4.26Å; L1350-P1402 HydrophobicContact CD1-CG 3.74Å; P1402-N1404 PolarHBondContact O-N 3.29Å
1403V53.9Low68.8Low84 Ų8453.1 Ų53.151%0.50929%0.293SS..THydrogen-bonded Turntrans-52.3138.5179.8-166.30000110.1
1404N55.4Low71.2Confident90 Ų9050 Ų5048%0.48128%0.276SS..THydrogen-bonded Turntrans94.41.8-178-59.6-11.9000118.5I1257 P1402I1257-N1404 WeakPolarHBondContact CD1-ND2 3.42Å; P1402-N1404 PolarHBondContact O-N 3.29Å
1405F57.3Low73.2Confident45 Ų4546 Ų4620%0.19725%0.252CS..  trans-110.7124167-81.7-91.3000110.9Y1288 L1401 S1407 D1410Y1288-F1405 HydrophobicContact CE1-CD2 4.35Å; Y1288-F1405 AromaticContact CE1-CE2 3.74Å; Y1288-F1405 HydrophobicContact CE1-CE2 3.74Å; Y1288-F1405 HydrophobicContact CE1-CZ 4.47Å; Y1288-F1405 AromaticContact CZ-CE2 3.73Å; Y1288-F1405 WeakPolarHBondContact OH-CE2 3.28Å; Y1288-F1405 WeakPolarHBondContact OH-CZ 3.39Å; L1401-F1405 HydrophobicContact CB-CB 4.42Å; L1401-F1405 HydrophobicContact CD1-CB 4.25Å; F1405-S1407 VanDerWaalsContact C-N 3.3Å; F1405-D1410 HydrophobicContact CD1-CB 4.03Å; F1405-D1410 HydrophobicContact CE1-CB 4.3Å
1406P60.8Low74.6Confident118 Ų11844.5 Ų44.577%0.76624%0.241SC*.SBendtrans-73.4-29177.725.9-25.5000110.9D1410P1406-D1410 VanDerWaalsContact CG-OD2 3.31Å; P1406-D1410 WeakPolarHBondContact CG-OD2 3.09Å
1407S79.6Confident75.6Confident36 Ų3647.4 Ų47.425%0.25226%0.257SS..  trans-154.1159.5-179.479.70000113.8F1405 Y1409 D1410F1405-S1407 VanDerWaalsContact C-N 3.3Å; S1407-Y1409 PolarHBondContact O-N 3.46Å; S1407-Y1409 WeakPolarHBondContact OG-CB 3.49Å; S1407-Y1409 PolarHBondContact OG-N 3.32Å; S1407-D1410 PolarHBondContact N-OD2 2.97Å; S1407-D1410 PolarHBondContact O-N 3.01Å; S1407-D1410 PolarHBondContact OG-OD2 3.3Å
1408Y85.9Confident76.6Confident3 Ų344.3 Ų44.31%0.01224%0.242CC..Hα-helixtrans-66.2-20172.2177.2-99.3000111.5V1346 L1396 L1401 D1410 L1411 Y1412 P1436 Y1445V1346-Y1408 HydrophobicContact CB-CD2 4.27Å; V1346-Y1408 HydrophobicContact CB-CE2 4.15Å; V1346-Y1408 HydrophobicContact CG1-CD2 3.99Å; V1346-Y1408 HydrophobicContact CG1-CE2 4.23Å; V1346-Y1408 HydrophobicContact CG2-CD2 3.63Å; V1346-Y1408 HydrophobicContact CG2-CE2 3.62Å; V1346-Y1408 HydrophobicContact CG2-CG 4.49Å; L1396-Y1408 HydrophobicContact CB-CD1 3.77Å; L1396-Y1408 HydrophobicContact CB-CE1 4.16Å; L1396-Y1408 HydrophobicContact CB-CG 4.28Å; L1396-Y1408 HydrophobicContact CD1-CD1 4.22Å; L1396-Y1408 HydrophobicContact CD1-CE1 3.8Å; L1396-Y1408 HydrophobicContact CD2-CD1 4.16Å; L1396-Y1408 HydrophobicContact CD2-CE1 3.84Å; L1396-Y1408 HydrophobicContact CD2-CE2 4.4Å; L1396-Y1408 HydrophobicContact CG-CD1 4.28Å; L1396-Y1408 HydrophobicContact CG-CE1 4.16Å; L1396-Y1408 WeakPolarHBondContact O-CB 3.41Å; L1401-Y1408 HydrophobicContact CD2-CD2 4.49Å; Y1408-D1410 VanDerWaalsContact C-N 3.34Å; Y1408-D1410 PolarHBondContact O-N 3.31Å; Y1408-L1411 HydrophobicContact CD2-CB 4.44Å; Y1408-L1411 HydrophobicContact CD2-CD2 3.8Å; Y1408-L1411 HydrophobicContact CE2-CD2 3.87Å; Y1408-L1411 PolarHBondContact O-N 3.1Å; Y1408-Y1412 WeakPolarHBondContact O-CB 3.16Å; Y1408-Y1412 PolarHBondContact O-N 2.76Å; Y1408-P1436 HydrophobicContact CE1-CB 4.38Å; Y1408-P1436 HydrophobicContact CE1-CG 4.09Å; Y1408-P1436 WeakPolarHBondContact OH-CG 3.46Å; Y1408-Y1445 AromaticContact CD1-CE1 3.6Å; Y1408-Y1445 HydrophobicContact CD1-CE1 3.6Å; Y1408-Y1445 AromaticContact CD1-CZ 3.71Å; Y1408-Y1445 WeakPolarHBondContact CD1-OH 3.42Å; Y1408-Y1445 AromaticContact CE1-CE1 3.92Å; Y1408-Y1445 HydrophobicContact CE1-CE1 3.92Å
1409Y89.1Confident77.7Confident39 Ų3940.1 Ų40.115%0.15322%0.216CC..Hα-helixtrans-60.3-45.5175.8-175.4-100.2000111.2S1407 L1411 Y1412 I1413 K1444 Y1445 A1448 E1452S1407-Y1409 PolarHBondContact O-N 3.46Å; S1407-Y1409 WeakPolarHBondContact OG-CB 3.49Å; S1407-Y1409 PolarHBondContact OG-N 3.32Å; Y1409-L1411 VanDerWaalsContact C-N 3.33Å; Y1409-L1411 PolarHBondContact O-N 3.25Å; Y1409-Y1412 WeakPolarHBondContact O-CB 3.14Å; Y1409-Y1412 PolarHBondContact O-N 3.39Å; Y1409-Y1412 VanDerWaalsContact O-N 3.11Å; Y1409-I1413 HydrophobicContact CD1-CG1 4.1Å; Y1409-I1413 HydrophobicContact CE1-CD1 4.06Å; Y1409-I1413 HydrophobicContact CE1-CG1 3.82Å; Y1409-I1413 HydrophobicContact CE2-CD1 4.43Å; Y1409-I1413 WeakPolarHBondContact O-CG1 3.41Å; Y1409-I1413 PolarHBondContact O-N 3.4Å; Y1409-K1444 HydrophobicContact CD2-CB 4.23Å; Y1409-K1444 HydrophobicContact CD2-CD 3.76Å; Y1409-K1444 HydrophobicContact CD2-CG 3.74Å; Y1409-K1444 HydrophobicContact CE2-CB 3.96Å; Y1409-K1444 HydrophobicContact CE2-CD 4.32Å; Y1409-K1444 HydrophobicContact CE2-CG 3.99Å; Y1409-K1444 HydrophobicContact CG-CD 4.4Å; Y1409-Y1445 HydrophobicContact CD2-CD1 4.14Å; Y1409-Y1445 HydrophobicContact CD2-CE1 4.1Å; Y1409-A1448 HydrophobicContact CE2-CB 3.89Å; Y1409-A1448 WeakPolarHBondContact OH-CB 3.49Å; Y1409-E1452 PolarHBondContact OH-OE2 2.78Å
1410D87.8Confident78.6Confident57 Ų5742.6 Ų42.631%0.30523%0.229SC..Hα-helixtrans-66.2-39.3-178.9-50.9-60.5000111.4F1405 P1406 S1407 Y1408 Y1412 I1413 D1414F1405-D1410 HydrophobicContact CD1-CB 4.03Å; F1405-D1410 HydrophobicContact CE1-CB 4.3Å; P1406-D1410 VanDerWaalsContact CG-OD2 3.31Å; P1406-D1410 WeakPolarHBondContact CG-OD2 3.09Å; S1407-D1410 PolarHBondContact N-OD2 2.97Å; S1407-D1410 PolarHBondContact O-N 3.01Å; S1407-D1410 PolarHBondContact OG-OD2 3.3Å; Y1408-D1410 VanDerWaalsContact C-N 3.34Å; Y1408-D1410 PolarHBondContact O-N 3.31Å; D1410-Y1412 VanDerWaalsContact C-N 3.31Å; D1410-Y1412 PolarHBondContact O-N 3.07Å; D1410-I1413 PolarHBondContact O-N 2.87Å; D1410-D1414 PolarHBondContact O-N 3.42Å
1411L87.1Confident79.5Confident1 Ų140.4 Ų40.41%0.00523%0.233CC..Hα-helixtrans-61.4-40.7172.7-173.573.8000111.8Y1288 V1346 T1349 L1350 I1353 L1401 Y1408 Y1409 D1414 L1415Y1288-L1411 HydrophobicContact CE2-CD1 4.36Å; V1346-L1411 HydrophobicContact CG1-CD2 4.1Å; T1349-L1411 VanDerWaalsContact OG1-CD2 3.25Å; T1349-L1411 WeakPolarHBondContact OG1-CD2 3.32Å; L1350-L1411 HydrophobicContact CD2-CD1 3.45Å; L1350-L1411 VanDerWaalsContact CD2-CD1 3.45Å; L1350-L1411 HydrophobicContact CD2-CD2 4.1Å; L1350-L1411 HydrophobicContact CD2-CG 4.44Å; L1350-L1411 HydrophobicContact CG-CD1 4.2Å; L1350-L1411 HydrophobicContact CG-CD2 4.07Å; I1353-L1411 HydrophobicContact CD1-CD1 3.6Å; I1353-L1411 HydrophobicContact CD1-CG 4.01Å; I1353-L1411 WeakPolarHBondContact CD1-O 3.33Å; L1401-L1411 HydrophobicContact CD2-CD2 4.12Å; Y1408-L1411 HydrophobicContact CD2-CB 4.44Å; Y1408-L1411 HydrophobicContact CD2-CD2 3.8Å; Y1408-L1411 HydrophobicContact CE2-CD2 3.87Å; Y1408-L1411 PolarHBondContact O-N 3.1Å; Y1409-L1411 VanDerWaalsContact C-N 3.33Å; Y1409-L1411 PolarHBondContact O-N 3.25Å; L1411-D1414 WeakPolarHBondContact O-CB 3.22Å; L1411-D1414 PolarHBondContact O-N 3.04Å; L1411-L1415 PolarHBondContact O-N 3.15Å
1412Y91.4Very high80.2Confident0 Ų040.5 Ų40.50%023%0.234CC..Hα-helixtrans-66.6-37.8176.2176.6-104.1000112.3Y1408 Y1409 D1410 L1415 V1416 V1433 P1436 C1437 Y1445 A1448Y1408-Y1412 WeakPolarHBondContact O-CB 3.16Å; Y1408-Y1412 PolarHBondContact O-N 2.76Å; Y1409-Y1412 WeakPolarHBondContact O-CB 3.14Å; Y1409-Y1412 PolarHBondContact O-N 3.39Å; Y1409-Y1412 VanDerWaalsContact O-N 3.11Å; D1410-Y1412 VanDerWaalsContact C-N 3.31Å; D1410-Y1412 PolarHBondContact O-N 3.07Å; Y1412-L1415 HydrophobicContact CD2-CD2 4.32Å; Y1412-L1415 WeakPolarHBondContact O-CB 3.23Å; Y1412-L1415 PolarHBondContact O-N 3.19Å; Y1412-V1416 HydrophobicContact CD1-CG2 4.22Å; Y1412-V1416 HydrophobicContact CD2-CG2 4.46Å; Y1412-V1416 HydrophobicContact CE1-CG2 3.77Å; Y1412-V1416 HydrophobicContact CE2-CG2 4.02Å; Y1412-V1416 WeakPolarHBondContact O-CG2 3.2Å; Y1412-V1416 PolarHBondContact O-N 3.47Å; Y1412-V1433 WeakPolarHBondContact CE2-O 3.38Å; Y1412-V1433 PolarHBondContact OH-O 2.93Å; Y1412-P1436 HydrophobicContact CD2-CB 4.2Å; Y1412-P1436 HydrophobicContact CD2-CG 3.78Å; Y1412-P1436 HydrophobicContact CE2-CB 4.03Å; Y1412-P1436 HydrophobicContact CE2-CG 3.77Å; Y1412-C1437 PolarHBondContact OH-SG 3.17Å; Y1412-Y1445 AromaticContact CD1-CD1 3.69Å; Y1412-Y1445 HydrophobicContact CD1-CD1 3.69Å; Y1412-Y1445 HydrophobicContact CE1-CD1 4.18Å; Y1412-Y1445 AromaticContact CG-CD1 3.88Å; Y1412-Y1445 HydrophobicContact CG-CD1 3.88Å; Y1412-Y1445 HydrophobicContact CG-CE1 4.49Å; Y1412-A1448 HydrophobicContact CE1-CB 4.18Å
1413I90.8Very high81.1Confident28 Ų2839.5 Ų39.514%0.14423%0.227CC..Hα-helixtrans-62.4-44.6173-63.8-54.9000110.6Y1409 D1410 L1415 V1416 N1417 A1448Y1409-I1413 HydrophobicContact CD1-CG1 4.1Å; Y1409-I1413 HydrophobicContact CE1-CD1 4.06Å; Y1409-I1413 HydrophobicContact CE1-CG1 3.82Å; Y1409-I1413 HydrophobicContact CE2-CD1 4.43Å; Y1409-I1413 WeakPolarHBondContact O-CG1 3.41Å; Y1409-I1413 PolarHBondContact O-N 3.4Å; D1410-I1413 PolarHBondContact O-N 2.87Å; I1413-L1415 VanDerWaalsContact C-N 3.29Å; I1413-L1415 PolarHBondContact O-N 3.27Å; I1413-V1416 PolarHBondContact O-N 3.14Å; I1413-N1417 WeakPolarHBondContact O-CB 3.44Å; I1413-N1417 PolarHBondContact O-N 3.39Å; I1413-N1417 PolarHBondContact O-ND2 3.47Å; I1413-A1448 HydrophobicContact CD1-CB 3.69Å
1414D87.5Confident82.3Confident48 Ų4842.8 Ų42.826%0.25723%0.232SC..Hα-helixtrans-57.6-42.9173.7-86.14.6000111.2K1292 I1353 D1410 L1411 N1417 H1418K1292-D1414 IonicContact NZ-OD2 2.9Å; K1292-D1414 PolarHBondContact NZ-OD2 3.3Å; I1353-D1414 HydrophobicContact CD1-CB 4.03Å; I1353-D1414 HydrophobicContact CG2-CB 4.5Å; D1410-D1414 PolarHBondContact O-N 3.42Å; L1411-D1414 WeakPolarHBondContact O-CB 3.22Å; L1411-D1414 PolarHBondContact O-N 3.04Å; D1414-N1417 PolarHBondContact O-N 3.35Å; D1414-H1418 VanDerWaalsContact O-CB 3.23Å; D1414-H1418 WeakPolarHBondContact O-CB 3.48Å; D1414-H1418 PolarHBondContact O-N 3.24Å
1415L90.1Very high83.4Confident0 Ų041.7 Ų41.70%023%0.226CC..Hα-helixtrans-61.2-45.6175.7-173.974.6000112.5T1349 I1353 L1411 Y1412 I1413 H1418 Y1419 F1429 L1432 V1433T1349-L1415 HydrophobicContact CG2-CD1 4.38Å; T1349-L1415 HydrophobicContact CG2-CD2 3.76Å; I1353-L1415 HydrophobicContact CD1-CB 4.07Å; I1353-L1415 HydrophobicContact CD1-CD1 4.42Å; I1353-L1415 HydrophobicContact CG1-CB 4.26Å; I1353-L1415 HydrophobicContact CG1-CD1 3.99Å; L1411-L1415 PolarHBondContact O-N 3.15Å; Y1412-L1415 HydrophobicContact CD2-CD2 4.32Å; Y1412-L1415 WeakPolarHBondContact O-CB 3.23Å; Y1412-L1415 PolarHBondContact O-N 3.19Å; I1413-L1415 VanDerWaalsContact C-N 3.29Å; I1413-L1415 PolarHBondContact O-N 3.27Å; L1415-H1418 PolarHBondContact O-N 3.08Å; L1415-Y1419 WeakPolarHBondContact O-CB 3.37Å; L1415-Y1419 PolarHBondContact O-N 3.01Å; L1415-F1429 HydrophobicContact CD1-CE1 3.58Å; L1415-F1429 HydrophobicContact CD1-CZ 3.86Å; L1415-F1429 HydrophobicContact CG-CE1 4.08Å; L1415-L1432 HydrophobicContact CD1-CD2 3.99Å; L1415-L1432 HydrophobicContact CD2-CG 4.25Å; L1415-V1433 HydrophobicContact CD2-CG2 4.17Å; L1415-V1433 HydrophobicContact CG-CG2 4.2Å
1416V91.6Very high84.8Confident0 Ų039.6 Ų39.60%022%0.217CC..Hα-helixtrans-64.3-42.7179.81690000110.7Y1412 I1413 Y1419 N1420 V1433 L1449 H1453 V1456Y1412-V1416 HydrophobicContact CD1-CG2 4.22Å; Y1412-V1416 HydrophobicContact CD2-CG2 4.46Å; Y1412-V1416 HydrophobicContact CE1-CG2 3.77Å; Y1412-V1416 HydrophobicContact CE2-CG2 4.02Å; Y1412-V1416 WeakPolarHBondContact O-CG2 3.2Å; Y1412-V1416 PolarHBondContact O-N 3.47Å; I1413-V1416 PolarHBondContact O-N 3.14Å; V1416-Y1419 PolarHBondContact O-N 3.43Å; V1416-N1420 PolarHBondContact O-N 3.19Å; V1416-V1433 HydrophobicContact CG2-CG1 4.14Å; V1416-L1449 HydrophobicContact CG1-CD1 4.35Å; V1416-L1449 HydrophobicContact CG2-CD1 4.42Å; V1416-H1453 HydrophobicContact CG1-CB 3.73Å; V1416-V1456 HydrophobicContact CG1-CB 4.42Å; V1416-V1456 HydrophobicContact CG1-CG1 4.35Å; V1416-V1456 HydrophobicContact CG1-CG2 3.87Å
1417N89Confident85.9Confident66 Ų6634.2 Ų34.235%0.35318%0.182SC..Hα-helixtrans-64.8-43175.7-72-31.2000111.5I1413 D1414 Y1419 N1420 A1421 H1453I1413-N1417 WeakPolarHBondContact O-CB 3.44Å; I1413-N1417 PolarHBondContact O-N 3.39Å; I1413-N1417 PolarHBondContact O-ND2 3.47Å; D1414-N1417 PolarHBondContact O-N 3.35Å; N1417-Y1419 VanDerWaalsContact C-N 3.34Å; N1417-Y1419 PolarHBondContact O-N 2.93Å; N1417-N1420 PolarHBondContact O-N 2.92Å; N1417-A1421 WeakPolarHBondContact O-CB 3.47Å; N1417-A1421 PolarHBondContact O-N 3.42Å; N1417-H1453 PolarHBondContact OD1-CE1 2.94Å; N1417-H1453 PolarHBondContact OD1-ND1 3.26Å
1418H87.1Confident86.2Confident25 Ų2532.7 Ų32.712%0.11617%0.171CC..Hα-helixtrans-61.9-42.6176.4-165.892.1000111.5Y1355 D1414 L1415 N1420 A1421 L1422 F1429Y1355-H1418 PolarHBondContact O-CE1 2.86Å; Y1355-H1418 PolarHBondContact O-NE2 3.41Å; D1414-H1418 VanDerWaalsContact O-CB 3.23Å; D1414-H1418 WeakPolarHBondContact O-CB 3.48Å; D1414-H1418 PolarHBondContact O-N 3.24Å; L1415-H1418 PolarHBondContact O-N 3.08Å; H1418-N1420 PolarHBondContact O-N 3.42Å; H1418-A1421 PolarHBondContact O-N 2.96Å; H1418-L1422 PolarHBondContact O-N 3.22Å; H1418-F1429 AromaticContact CD2-CE2 3.9Å; H1418-F1429 AromaticContact CD2-CZ 3.72Å
1419Y88.1Confident86.3Confident1 Ų132.5 Ų32.50%0.00417%0.17CC..Hα-helixtrans-60.1-46.3174.2177.6-89.4000111.3L1415 V1416 N1417 A1421 S1423 F1429 A1430 V1433 V1456 S1459 L1460L1415-Y1419 WeakPolarHBondContact O-CB 3.37Å; L1415-Y1419 PolarHBondContact O-N 3.01Å; V1416-Y1419 PolarHBondContact O-N 3.43Å; N1417-Y1419 VanDerWaalsContact C-N 3.34Å; N1417-Y1419 PolarHBondContact O-N 2.93Å; Y1419-A1421 VanDerWaalsContact C-N 3.28Å; Y1419-A1421 PolarHBondContact O-N 2.99Å; Y1419-S1423 VanDerWaalsContact CD2-OG 3.3Å; Y1419-S1423 WeakPolarHBondContact CD2-OG 3.37Å; Y1419-S1423 VanDerWaalsContact CE2-CB 3.48Å; Y1419-S1423 VanDerWaalsContact CE2-OG 3.27Å; Y1419-S1423 WeakPolarHBondContact CE2-OG 3.44Å; Y1419-S1423 WeakPolarHBondContact O-CB 3.48Å; Y1419-S1423 PolarHBondContact O-N 3.12Å; Y1419-S1423 VanDerWaalsContact O-N 3.15Å; Y1419-S1423 PolarHBondContact O-OG 2.9Å; Y1419-F1429 HydrophobicContact CD2-CB 3.94Å; Y1419-F1429 AromaticContact CD2-CD1 3.49Å; Y1419-F1429 HydrophobicContact CD2-CD1 3.49Å; Y1419-F1429 VanDerWaalsContact CD2-CD1 3.49Å; Y1419-F1429 HydrophobicContact CD2-CE1 4.21Å; Y1419-F1429 AromaticContact CD2-CG 3.86Å; Y1419-F1429 HydrophobicContact CD2-CG 3.86Å; Y1419-F1429 HydrophobicContact CE2-CB 4.12Å; Y1419-F1429 HydrophobicContact CE2-CD1 4.43Å; Y1419-F1429 HydrophobicContact CG-CD1 4.26Å; Y1419-A1430 HydrophobicContact CE2-CB 4.04Å; Y1419-V1433 HydrophobicContact CD2-CG2 4.06Å; Y1419-V1433 HydrophobicContact CG-CG2 3.99Å; Y1419-V1456 HydrophobicContact CD1-CG1 3.58Å; Y1419-V1456 HydrophobicContact CE1-CG1 3.99Å; Y1419-S1459 PolarHBondContact OH-O 2.91Å; Y1419-L1460 HydrophobicContact CD1-CD2 4.43Å; Y1419-L1460 HydrophobicContact CE1-CD2 3.66Å; Y1419-L1460 HydrophobicContact CE1-CG 3.83Å; Y1419-L1460 HydrophobicContact CE2-CD2 4.26Å
1420N86.6Confident86.3Confident70 Ų7030.7 Ų30.737%0.37416%0.163SC..Hα-helixtrans-62.9-35.9-179.5-165.939.2000112.9V1416 N1417 H1418 V1456V1416-N1420 PolarHBondContact O-N 3.19Å; N1417-N1420 PolarHBondContact O-N 2.92Å; H1418-N1420 PolarHBondContact O-N 3.42Å; N1420-V1456 HydrophobicContact CB-CG2 3.72Å
1421A83.7Confident86.4Confident73 Ų7328.1 Ų28.160%0.60315%0.149SC*.Hα-helixtrans-79.7-45-177.300000112.9N1417 H1418 Y1419N1417-A1421 WeakPolarHBondContact O-CB 3.47Å; N1417-A1421 PolarHBondContact O-N 3.42Å; H1418-A1421 PolarHBondContact O-N 2.96Å; Y1419-A1421 VanDerWaalsContact C-N 3.28Å; Y1419-A1421 PolarHBondContact O-N 2.99Å
1422L80.9Confident86.6Confident41 Ų4128 Ų2822%0.21515%0.149CC..Hα-helixtrans-132.95.2-161.1-61.4174.5000115.5G1359 H1418 Y1424G1359-L1422 CarbonylContact C-O 3.54Å; G1359-L1422 WeakPolarHBondContact CA-O 3.31Å; G1359-L1422 PolarHBondContact N-O 3.45Å; H1418-L1422 PolarHBondContact O-N 3.22Å; L1422-Y1424 VanDerWaalsContact O-CD2 3.29Å; L1422-Y1424 WeakPolarHBondContact O-CD2 3.18Å
1423S78.7Confident86.6Confident4 Ų428 Ų283%0.02815%0.149CC..  trans-80.4-16.4-174.366.90000116.5F1363 Y1419 N1425 S1426F1363-S1423 WeakPolarHBondContact CE2-O 3.14Å; F1363-S1423 WeakPolarHBondContact CZ-O 3.27Å; Y1419-S1423 VanDerWaalsContact CD2-OG 3.3Å; Y1419-S1423 WeakPolarHBondContact CD2-OG 3.37Å; Y1419-S1423 VanDerWaalsContact CE2-CB 3.48Å; Y1419-S1423 VanDerWaalsContact CE2-OG 3.27Å; Y1419-S1423 WeakPolarHBondContact CE2-OG 3.44Å; Y1419-S1423 WeakPolarHBondContact O-CB 3.48Å; Y1419-S1423 PolarHBondContact O-N 3.12Å; Y1419-S1423 VanDerWaalsContact O-N 3.15Å; Y1419-S1423 PolarHBondContact O-OG 2.9Å; S1423-N1425 PolarHBondContact O-N 3.34Å; S1423-N1425 VanDerWaalsContact O-N 3.08Å; S1423-N1425 PolarHBondContact OG-N 3.48Å; S1423-S1426 WeakPolarHBondContact O-CB 3.44Å; S1423-S1426 PolarHBondContact O-N 3.36Å
1424Y79.2Confident86.6Confident153 Ų15326.8 Ų26.860%0.614%0.143SC*.THydrogen-bonded Turntrans47.635.7-172.6-64-92.7000114.2A1358 G1359 L1422 S1426A1358-Y1424 HydrophobicContact CB-CE2 3.49Å; A1358-Y1424 VanDerWaalsContact CB-CE2 3.49Å; A1358-Y1424 VanDerWaalsContact CB-OH 3.31Å; A1358-Y1424 WeakPolarHBondContact CB-OH 3.5Å; G1359-Y1424 VanDerWaalsContact N-CE2 3.35Å; L1422-Y1424 VanDerWaalsContact O-CD2 3.29Å; L1422-Y1424 WeakPolarHBondContact O-CD2 3.18Å; Y1424-S1426 PolarHBondContact O-N 3Å
1425N79.8Confident86.8Confident68 Ų6824.7 Ų24.736%0.36413%0.131SC..THydrogen-bonded Turntrans58.630.7-177.6-49.1-28.2000113.8S1423 S1459S1423-N1425 PolarHBondContact O-N 3.34Å; S1423-N1425 VanDerWaalsContact O-N 3.08Å; S1423-N1425 PolarHBondContact OG-N 3.48Å; N1425-S1459 WeakPolarHBondContact CB-O 3.4Å; N1425-S1459 VanDerWaalsContact OD1-CA 3.25Å; N1425-S1459 WeakPolarHBondContact OD1-CA 3.25Å; N1425-S1459 WeakPolarHBondContact OD1-CB 3.38Å; N1425-S1459 PolarHBondContact OD1-O 3.39Å; N1425-S1459 VanDerWaalsContact OD1-O 3.05Å
1426S85.4Confident86.9Confident0 Ų024.7 Ų24.70%013%0.131CC..  trans-56126.4175.8169.80000110.9G1362 S1423 Y1424 V1428 F1429 A1430G1362-S1426 PolarHBondContact O-OG 3.31Å; S1423-S1426 WeakPolarHBondContact O-CB 3.44Å; S1423-S1426 PolarHBondContact O-N 3.36Å; Y1424-S1426 PolarHBondContact O-N 3Å; S1426-V1428 VanDerWaalsContact C-N 3.26Å; S1426-V1428 PolarHBondContact O-N 2.74Å; S1426-V1428 PolarHBondContact OG-N 2.94Å; S1426-F1429 PolarHBondContact O-N 3.49Å; S1426-F1429 PolarHBondContact OG-N 2.73Å; S1426-A1430 WeakPolarHBondContact O-CB 3.37Å; S1426-A1430 PolarHBondContact O-N 2.9Å
1427P84.1Confident86.9Confident6 Ų624.9 Ų24.94%0.03913%0.133CC..Hα-helixtrans-67.6-28.817828.4-34.9000111.8N1431 Q1466 L1589 V1591P1427-N1431 PolarHBondContact O-N 2.95Å; P1427-N1431 VanDerWaalsContact O-N 3.12Å; P1427-N1431 PolarHBondContact O-ND2 2.98Å; P1427-Q1466 HydrophobicContact CB-CB 4.37Å; P1427-L1589 HydrophobicContact CB-CD2 3.83Å; P1427-L1589 HydrophobicContact CG-CD2 4.03Å; P1427-V1591 HydrophobicContact CG-CG2 4.08Å
1428V86.6Confident87Confident3 Ų321.9 Ų21.92%0.01812%0.116CC..Hα-helixtrans-68.3-49.9176.9-178.30000110.4G1367 L1370 A1371 S1426 A1430 N1431 L1432 L1589G1367-V1428 WeakPolarHBondContact O-CG1 3.47Å; L1370-V1428 HydrophobicContact CB-CG1 4.01Å; L1370-V1428 HydrophobicContact CD2-CG1 3.88Å; L1370-V1428 HydrophobicContact CG-CG1 3.94Å; A1371-V1428 HydrophobicContact CB-CG1 4.03Å; A1371-V1428 HydrophobicContact CB-CG2 4.07Å; S1426-V1428 VanDerWaalsContact C-N 3.26Å; S1426-V1428 PolarHBondContact O-N 2.74Å; S1426-V1428 PolarHBondContact OG-N 2.94Å; V1428-A1430 VanDerWaalsContact C-N 3.28Å; V1428-A1430 PolarHBondContact O-N 2.91Å; V1428-N1431 WeakPolarHBondContact O-CB 3.34Å; V1428-N1431 PolarHBondContact O-N 3.27Å; V1428-N1431 VanDerWaalsContact O-N 3.14Å; V1428-L1432 PolarHBondContact O-N 2.74Å; V1428-L1589 HydrophobicContact CG2-CB 4.01Å; V1428-L1589 HydrophobicContact CG2-CD1 4.33Å; V1428-L1589 HydrophobicContact CG2-CD2 4.36Å; V1428-L1589 HydrophobicContact CG2-CG 4.48Å
1429F88Confident87.2Confident0 Ų021.4 Ų21.40%011%0.114CC..Hα-helixtrans-63.9-38178-151.7-51.2000110.5L1415 H1418 Y1419 S1426 N1431 L1432 V1433L1415-F1429 HydrophobicContact CD1-CE1 3.58Å; L1415-F1429 HydrophobicContact CD1-CZ 3.86Å; L1415-F1429 HydrophobicContact CG-CE1 4.08Å; H1418-F1429 AromaticContact CD2-CE2 3.9Å; H1418-F1429 AromaticContact CD2-CZ 3.72Å; Y1419-F1429 HydrophobicContact CD2-CB 3.94Å; Y1419-F1429 AromaticContact CD2-CD1 3.49Å; Y1419-F1429 HydrophobicContact CD2-CD1 3.49Å; Y1419-F1429 VanDerWaalsContact CD2-CD1 3.49Å; Y1419-F1429 HydrophobicContact CD2-CE1 4.21Å; Y1419-F1429 AromaticContact CD2-CG 3.86Å; Y1419-F1429 HydrophobicContact CD2-CG 3.86Å; Y1419-F1429 HydrophobicContact CE2-CB 4.12Å; Y1419-F1429 HydrophobicContact CE2-CD1 4.43Å; Y1419-F1429 HydrophobicContact CG-CD1 4.26Å; S1426-F1429 PolarHBondContact O-N 3.49Å; S1426-F1429 PolarHBondContact OG-N 2.73Å; F1429-N1431 VanDerWaalsContact C-N 3.29Å; F1429-N1431 PolarHBondContact O-N 2.85Å; F1429-L1432 WeakPolarHBondContact O-CB 3.47Å; F1429-L1432 PolarHBondContact O-N 2.9Å; F1429-V1433 HydrophobicContact CD1-CG2 3.96Å; F1429-V1433 HydrophobicContact CE1-CG2 4.1Å; F1429-V1433 PolarHBondContact O-N 3.11Å
1430A89.5Confident87Confident1 Ų125.3 Ų25.31%0.00814%0.135CC..Hα-helixtrans-57.6-39.9174.200000112.5Y1419 S1426 V1428 L1432 V1433 L1434 L1460 I1462Y1419-A1430 HydrophobicContact CE2-CB 4.04Å; S1426-A1430 WeakPolarHBondContact O-CB 3.37Å; S1426-A1430 PolarHBondContact O-N 2.9Å; V1428-A1430 VanDerWaalsContact C-N 3.28Å; V1428-A1430 PolarHBondContact O-N 2.91Å; A1430-L1432 PolarHBondContact O-N 3.28Å; A1430-V1433 PolarHBondContact O-N 2.99Å; A1430-L1434 WeakPolarHBondContact O-CB 3.33Å; A1430-L1434 VanDerWaalsContact O-CG 3.27Å; A1430-L1434 WeakPolarHBondContact O-CG 3.29Å; A1430-L1434 PolarHBondContact O-N 3.08Å; A1430-L1460 HydrophobicContact CB-CD2 3.69Å; A1430-I1462 HydrophobicContact CB-CD1 4.43Å
1431N89.7Confident87.1Confident2 Ų222.6 Ų22.61%0.01112%0.121CC..Hα-helixtrans-63.6-38.1174.4-82.2-77.1000112.6L1374 P1427 V1428 F1429 L1434 W1435 I1462 Q1466 V1468L1374-N1431 HydrophobicContact CD1-CB 4.45Å; P1427-N1431 PolarHBondContact O-N 2.95Å; P1427-N1431 VanDerWaalsContact O-N 3.12Å; P1427-N1431 PolarHBondContact O-ND2 2.98Å; V1428-N1431 WeakPolarHBondContact O-CB 3.34Å; V1428-N1431 PolarHBondContact O-N 3.27Å; V1428-N1431 VanDerWaalsContact O-N 3.14Å; F1429-N1431 VanDerWaalsContact C-N 3.29Å; F1429-N1431 PolarHBondContact O-N 2.85Å; N1431-L1434 PolarHBondContact O-N 3.16Å; N1431-W1435 PolarHBondContact O-N 3.03Å; N1431-I1462 VanDerWaalsContact ND2-CD1 3.33Å; N1431-I1462 WeakPolarHBondContact ND2-CD1 3.34Å; N1431-Q1466 PolarHBondContact ND2-O 3.4Å; N1431-V1468 HydrophobicContact CB-CB 4.36Å; N1431-V1468 HydrophobicContact CB-CG2 4.26Å; N1431-V1468 WeakPolarHBondContact OD1-CB 3.31Å; N1431-V1468 PolarHBondContact OD1-N 3.41Å
1432L89.8Confident87.2Confident0 Ų024 Ų240%012%0.115CC..Hα-helixtrans-63.7-43.5175.5-174.967.5000111.6L1348 T1349 S1352 L1374 L1415 V1428 F1429 A1430 L1434 W1435 P1436L1348-L1432 HydrophobicContact CB-CD1 4.44Å; T1349-L1432 HydrophobicContact CG2-CD1 4.06Å; T1349-L1432 HydrophobicContact CG2-CD2 4.42Å; T1349-L1432 HydrophobicContact CG2-CG 4.24Å; S1352-L1432 WeakPolarHBondContact OG-CD2 3.45Å; L1374-L1432 HydrophobicContact CD1-CB 4.15Å; L1374-L1432 HydrophobicContact CD1-CD1 4.4Å; L1374-L1432 HydrophobicContact CD2-CD1 3.89Å; L1415-L1432 HydrophobicContact CD1-CD2 3.99Å; L1415-L1432 HydrophobicContact CD2-CG 4.25Å; V1428-L1432 PolarHBondContact O-N 2.74Å; F1429-L1432 WeakPolarHBondContact O-CB 3.47Å; F1429-L1432 PolarHBondContact O-N 2.9Å; A1430-L1432 PolarHBondContact O-N 3.28Å; L1432-L1434 VanDerWaalsContact C-N 3.33Å; L1432-W1435 PolarHBondContact O-N 3.3Å; L1432-P1436 WeakPolarHBondContact O-CD 3.2Å
1433V91.7Very high87.6Confident0 Ų023.2 Ų23.20%011%0.112CC..Hα-helixtrans-65.1-37175.51720000111.6Y1412 L1415 V1416 Y1419 F1429 A1430 W1435 P1436 L1449Y1412-V1433 WeakPolarHBondContact CE2-O 3.38Å; Y1412-V1433 PolarHBondContact OH-O 2.93Å; L1415-V1433 HydrophobicContact CD2-CG2 4.17Å; L1415-V1433 HydrophobicContact CG-CG2 4.2Å; V1416-V1433 HydrophobicContact CG2-CG1 4.14Å; Y1419-V1433 HydrophobicContact CD2-CG2 4.06Å; Y1419-V1433 HydrophobicContact CG-CG2 3.99Å; F1429-V1433 HydrophobicContact CD1-CG2 3.96Å; F1429-V1433 HydrophobicContact CE1-CG2 4.1Å; F1429-V1433 PolarHBondContact O-N 3.11Å; A1430-V1433 PolarHBondContact O-N 2.99Å; V1433-W1435 VanDerWaalsContact C-N 3.33Å; V1433-P1436 WeakPolarHBondContact O-CD 3.11Å; V1433-L1449 HydrophobicContact CG1-CD1 4.07Å; V1433-L1449 HydrophobicContact CG1-CD2 4.39Å
1434L92.3Very high88.2Confident2 Ų224.8 Ų24.81%0.0112%0.118CC..Hα-helixtrans-76.3-18.6179.4-72.1172.1000113.3A1430 N1431 L1432 C1437 L1449 I1462 L1467 F1474 L1504 L1505A1430-L1434 WeakPolarHBondContact O-CB 3.33Å; A1430-L1434 VanDerWaalsContact O-CG 3.27Å; A1430-L1434 WeakPolarHBondContact O-CG 3.29Å; A1430-L1434 PolarHBondContact O-N 3.08Å; N1431-L1434 PolarHBondContact O-N 3.16Å; L1432-L1434 VanDerWaalsContact C-N 3.33Å; L1434-C1437 WeakPolarHBondContact O-CA 3.41Å; L1434-C1437 VanDerWaalsContact O-CB 3.27Å; L1434-C1437 WeakPolarHBondContact O-CB 3.38Å; L1434-C1437 PolarHBondContact O-N 2.79Å; L1434-L1449 HydrophobicContact CD2-CD2 4.06Å; L1434-I1462 HydrophobicContact CD1-CD1 4.47Å; L1434-I1462 HydrophobicContact CD1-CG2 4.03Å; L1434-L1467 HydrophobicContact CD1-CD1 4.41Å; L1434-F1474 HydrophobicContact CB-CE1 4.25Å; L1434-F1474 HydrophobicContact CB-CZ 4.14Å; L1434-F1474 WeakPolarHBondContact O-CE1 3.4Å; L1434-L1504 HydrophobicContact CD1-CD2 4.06Å; L1434-L1505 HydrophobicContact CD2-CD2 4.32Å
1435W91Very high88.8Confident3 Ų317.6 Ų17.61%0.0119%0.09CC..G310 helixtrans-57.8-46.1-174.9-163.3105.4000113.6I1345 G1378 I1380 L1396 N1431 L1432 V1433 C1437 Q1438 I1469I1345-W1435 HydrophobicContact CD1-CD2 3.32Å; I1345-W1435 HydrophobicContact CD1-CE3 3.6Å; I1345-W1435 HydrophobicContact CD1-CG 4.02Å; I1345-W1435 HydrophobicContact CD1-CH2 3.27Å; I1345-W1435 HydrophobicContact CD1-CZ2 3.01Å; I1345-W1435 HydrophobicContact CD1-CZ3 3.57Å; I1345-W1435 HydrophobicContact CG1-CD2 4.21Å; I1345-W1435 HydrophobicContact CG1-CE3 4.46Å; I1345-W1435 HydrophobicContact CG1-CZ2 4.47Å; I1345-W1435 HydrophobicContact CG2-CD2 4.36Å; I1345-W1435 HydrophobicContact CG2-CE3 3.99Å; I1345-W1435 HydrophobicContact CG2-CZ3 4.38Å; G1378-W1435 PolarHBondContact O-NE1 3.26Å; I1380-W1435 HydrophobicContact CD1-CH2 3.56Å; I1380-W1435 HydrophobicContact CD1-CZ2 4.33Å; I1380-W1435 HydrophobicContact CD1-CZ3 3.79Å; I1380-W1435 HydrophobicContact CG1-CH2 3.22Å; I1380-W1435 HydrophobicContact CG1-CZ2 3.59Å; I1380-W1435 HydrophobicContact CG1-CZ3 3.98Å; L1396-W1435 HydrophobicContact CD1-CZ3 4.13Å; L1396-W1435 HydrophobicContact CD2-CZ3 4.13Å; L1396-W1435 HydrophobicContact CG-CZ3 4.37Å; N1431-W1435 PolarHBondContact O-N 3.03Å; L1432-W1435 PolarHBondContact O-N 3.3Å; V1433-W1435 VanDerWaalsContact C-N 3.33Å; W1435-C1437 PolarHBondContact O-N 3.48Å; W1435-C1437 VanDerWaalsContact O-N 3.17Å; W1435-Q1438 WeakPolarHBondContact O-CG 3.39Å; W1435-I1469 HydrophobicContact CB-CD1 3.82Å; W1435-I1469 HydrophobicContact CG-CD1 3.79Å
1436P91.2Very high89.5Confident0 Ų014.8 Ų14.80%07%0.074CC..G310 helixtrans-69.5-8174.4-21.837.1000114.7L1396 Y1408 Y1412 L1432 V1433 C1441 Y1445L1396-P1436 HydrophobicContact CD1-CB 4.02Å; L1396-P1436 HydrophobicContact CD1-CG 4.47Å; Y1408-P1436 HydrophobicContact CE1-CB 4.38Å; Y1408-P1436 HydrophobicContact CE1-CG 4.09Å; Y1408-P1436 WeakPolarHBondContact OH-CG 3.46Å; Y1412-P1436 HydrophobicContact CD2-CB 4.2Å; Y1412-P1436 HydrophobicContact CD2-CG 3.78Å; Y1412-P1436 HydrophobicContact CE2-CB 4.03Å; Y1412-P1436 HydrophobicContact CE2-CG 3.77Å; L1432-P1436 WeakPolarHBondContact O-CD 3.2Å; V1433-P1436 WeakPolarHBondContact O-CD 3.11Å; P1436-C1441 WeakPolarHBondContact O-CB 3.11Å; P1436-C1441 PolarHBondContact O-SG 3.28Å; P1436-Y1445 HydrophobicContact CB-CD1 4.26Å; P1436-Y1445 HydrophobicContact CB-CD2 4.2Å; P1436-Y1445 HydrophobicContact CB-CG 3.9Å
1437C92.4Very high89.8Confident5 Ų520 Ų203%0.0349%0.094CC..G310 helixtrans-88.33.6-178.5-68.40000114.6Y1412 L1434 W1435 R1446 L1449 F1474Y1412-C1437 PolarHBondContact OH-SG 3.17Å; L1434-C1437 WeakPolarHBondContact O-CA 3.41Å; L1434-C1437 VanDerWaalsContact O-CB 3.27Å; L1434-C1437 WeakPolarHBondContact O-CB 3.38Å; L1434-C1437 PolarHBondContact O-N 2.79Å; W1435-C1437 PolarHBondContact O-N 3.48Å; W1435-C1437 VanDerWaalsContact O-N 3.17Å; C1437-R1446 HydrophobicContact CB-CG 4.05Å; C1437-R1446 VanDerWaalsContact O-CD 3.3Å; C1437-R1446 WeakPolarHBondContact O-CD 3.28Å; C1437-R1446 WeakPolarHBondContact O-CG 3.47Å; C1437-L1449 VanDerWaalsContact SG-CD2 3.56Å; C1437-F1474 HydrophobicContact CB-CE1 4.27Å
1438Q91.8Very high90.2Very high2 Ų219.8 Ų19.81%0.0099%0.092CC..SBendtrans-59.7155.1173.1-62.9170.814800111.5P1379 W1435 L1440 C1441 R1446 I1469 S1473 F1474P1379-Q1438 VanDerWaalsContact CA-OE1 3.25Å; W1435-Q1438 WeakPolarHBondContact O-CG 3.39Å; Q1438-L1440 VanDerWaalsContact C-N 3.3Å; Q1438-L1440 PolarHBondContact O-N 3.35Å; Q1438-C1441 WeakPolarHBondContact O-CB 3.41Å; Q1438-C1441 PolarHBondContact O-N 2.95Å; Q1438-C1441 VanDerWaalsContact O-N 3.11Å; Q1438-R1446 PolarHBondContact O-NH1 3.47Å; Q1438-I1469 HydrophobicContact CG-CG2 4.23Å; Q1438-S1473 CarbonylContact C-O 3.53Å; Q1438-S1473 WeakPolarHBondContact CA-O 3.29Å; Q1438-F1474 HydrophobicContact CG-CE1 4.16Å; Q1438-F1474 HydrophobicContact CG-CZ 4.3Å
1439Q90.3Very high90.6Very high16 Ų1619.6 Ų19.68%0.0759%0.091CC..THydrogen-bonded Turntrans-66.9-29-176.8-71-61.9-34.100113.6C1441 S1473 F1474 P1477 H1512Q1439-C1441 PolarHBondContact O-N 3.29Å; Q1439-S1473 PolarHBondContact N-O 3.08Å; Q1439-F1474 VanDerWaalsContact CG-O 3.24Å; Q1439-F1474 WeakPolarHBondContact CG-O 3.32Å; Q1439-F1474 PolarHBondContact NE2-O 3.22Å; Q1439-F1474 VanDerWaalsContact NE2-O 3.07Å; Q1439-P1477 HydrophobicContact CB-CG 4.28Å; Q1439-P1477 VanDerWaalsContact CG-O 3.28Å; Q1439-P1477 WeakPolarHBondContact CG-O 3.36Å; Q1439-P1477 PolarHBondContact OE1-O 3.05Å; Q1439-H1512 PolarHBondContact NE2-CE1 3.35Å; Q1439-H1512 PolarHBondContact NE2-NE2 2.98Å
1440L84.9Confident90.9Very high83 Ų8319.8 Ų19.844%0.4359%0.092SC..THydrogen-bonded Turntrans-73-15.5175.5-63.5177.7000113.1I1380 Q1438I1380-L1440 HydrophobicContact CB-CD1 4.49Å; I1380-L1440 HydrophobicContact CG2-CB 4.22Å; I1380-L1440 HydrophobicContact CG2-CD1 4.2Å; I1380-L1440 VanDerWaalsContact O-CD1 3.31Å; I1380-L1440 WeakPolarHBondContact O-CD1 3.29Å; Q1438-L1440 VanDerWaalsContact C-N 3.3Å; Q1438-L1440 PolarHBondContact O-N 3.35Å
1441C87.8Confident90.8Very high12 Ų1221 Ų218%0.08111%0.105CC..SBendtrans-80.8156.7172.6-630000111.5I1380 P1436 Q1438 Q1439 Y1445 R1446I1380-C1441 WeakPolarHBondContact CD1-SG 3.24Å; P1436-C1441 WeakPolarHBondContact O-CB 3.11Å; P1436-C1441 PolarHBondContact O-SG 3.28Å; Q1438-C1441 WeakPolarHBondContact O-CB 3.41Å; Q1438-C1441 PolarHBondContact O-N 2.95Å; Q1438-C1441 VanDerWaalsContact O-N 3.11Å; Q1439-C1441 PolarHBondContact O-N 3.29Å; C1441-Y1445 HydrophobicContact CB-CD2 4.34Å; C1441-R1446 PolarHBondContact O-NH1 3.31Å
1442H86.8Confident90.8Very high102 Ų10225.8 Ų25.847%0.47213%0.127SC..  trans-57.4138.3174.6-167.5-86.2000112E1397 K1444 Y1445E1397-H1442 IonicContact OE1-CG 3.34Å; H1442-K1444 HydrophobicContact CB-CG 4.39Å; H1442-K1444 WeakPolarHBondContact ND1-CB 3.44Å; H1442-K1444 VanDerWaalsContact ND1-CG 3.32Å; H1442-K1444 WeakPolarHBondContact ND1-CG 3.44Å; H1442-K1444 PolarHBondContact ND1-N 3.43Å; H1442-K1444 PolarHBondContact O-N 3.43Å; H1442-Y1445 HydrophobicContact CB-CE2 4.25Å; H1442-Y1445 WeakPolarHBondContact O-CD2 3.23Å; H1442-Y1445 PolarHBondContact O-N 3.26Å
1443V88.5Confident90.8Very high25 Ų2527 Ų2715%0.15213%0.132CC..Hα-helixtrans-57.9-22.8-173.667.60000114.4Y1445 R1446 R1447 N1481 M1484V1443-Y1445 VanDerWaalsContact C-N 3.32Å; V1443-Y1445 PolarHBondContact O-N 2.97Å; V1443-R1446 PolarHBondContact O-N 3.33Å; V1443-R1447 PolarHBondContact O-N 3.44Å; V1443-N1481 HydrophobicContact CG2-CB 4.21Å; V1443-M1484 HydrophobicContact CG2-CB 4.01Å; V1443-M1484 HydrophobicContact CG2-CG 4.21Å; V1443-M1484 HydrophobicContact CG2-SD 4.38Å
1444K90.5Very high90.6Very high37 Ų3729.4 Ų29.416%0.16114%0.144CC..Hα-helixtrans-57.3-38.4-177.470.9-173.2-174.3-173.50113.6E1397 Y1409 H1442 R1447 A1448E1397-K1444 VanDerWaalsContact CD-NZ 3.32Å; E1397-K1444 WeakPolarHBondContact OE1-CE 3.1Å; E1397-K1444 IonicContact OE1-NZ 3.82Å; E1397-K1444 PolarHBondContact OE1-NZ 2.93Å; Y1409-K1444 HydrophobicContact CD2-CB 4.23Å; Y1409-K1444 HydrophobicContact CD2-CD 3.76Å; Y1409-K1444 HydrophobicContact CD2-CG 3.74Å; Y1409-K1444 HydrophobicContact CE2-CB 3.96Å; Y1409-K1444 HydrophobicContact CE2-CD 4.32Å; Y1409-K1444 HydrophobicContact CE2-CG 3.99Å; Y1409-K1444 HydrophobicContact CG-CD 4.4Å; H1442-K1444 HydrophobicContact CB-CG 4.39Å; H1442-K1444 WeakPolarHBondContact ND1-CB 3.44Å; H1442-K1444 VanDerWaalsContact ND1-CG 3.32Å; H1442-K1444 WeakPolarHBondContact ND1-CG 3.44Å; H1442-K1444 PolarHBondContact ND1-N 3.43Å; H1442-K1444 PolarHBondContact O-N 3.43Å; K1444-R1447 PolarHBondContact O-N 2.96Å; K1444-A1448 WeakPolarHBondContact O-CB 3.28Å; K1444-A1448 PolarHBondContact O-N 2.68Å
1445Y92.4Very high90.2Very high2 Ų233.8 Ų33.81%0.00816%0.164CC..Hα-helixtrans-68.5-39.8-179.6-54.7-67.8000111.6L1396 Y1408 Y1409 Y1412 P1436 C1441 H1442 V1443 A1448 L1449L1396-Y1445 HydrophobicContact CD1-CE2 4.05Å; Y1408-Y1445 AromaticContact CD1-CE1 3.6Å; Y1408-Y1445 HydrophobicContact CD1-CE1 3.6Å; Y1408-Y1445 AromaticContact CD1-CZ 3.71Å; Y1408-Y1445 WeakPolarHBondContact CD1-OH 3.42Å; Y1408-Y1445 AromaticContact CE1-CE1 3.92Å; Y1408-Y1445 HydrophobicContact CE1-CE1 3.92Å; Y1409-Y1445 HydrophobicContact CD2-CD1 4.14Å; Y1409-Y1445 HydrophobicContact CD2-CE1 4.1Å; Y1412-Y1445 AromaticContact CD1-CD1 3.69Å; Y1412-Y1445 HydrophobicContact CD1-CD1 3.69Å; Y1412-Y1445 HydrophobicContact CE1-CD1 4.18Å; Y1412-Y1445 AromaticContact CG-CD1 3.88Å; Y1412-Y1445 HydrophobicContact CG-CD1 3.88Å; Y1412-Y1445 HydrophobicContact CG-CE1 4.49Å; P1436-Y1445 HydrophobicContact CB-CD1 4.26Å; P1436-Y1445 HydrophobicContact CB-CD2 4.2Å; P1436-Y1445 HydrophobicContact CB-CG 3.9Å; C1441-Y1445 HydrophobicContact CB-CD2 4.34Å; H1442-Y1445 HydrophobicContact CB-CE2 4.25Å; H1442-Y1445 WeakPolarHBondContact O-CD2 3.23Å; H1442-Y1445 PolarHBondContact O-N 3.26Å; V1443-Y1445 VanDerWaalsContact C-N 3.32Å; V1443-Y1445 PolarHBondContact O-N 2.97Å; Y1445-A1448 PolarHBondContact O-N 3.2Å; Y1445-L1449 PolarHBondContact O-N 2.98Å; Y1445-L1449 VanDerWaalsContact O-N 3.11Å
1446R94.3Very high90.1Very high9 Ų933.7 Ų33.73%0.03416%0.164CC..Hα-helixtrans-63.5-44.8172.3-61.4-167.9-69.1-80.16.8110.3C1437 Q1438 C1441 V1443 A1448 L1449 W1450 E1479 M1484C1437-R1446 HydrophobicContact CB-CG 4.05Å; C1437-R1446 VanDerWaalsContact O-CD 3.3Å; C1437-R1446 WeakPolarHBondContact O-CD 3.28Å; C1437-R1446 WeakPolarHBondContact O-CG 3.47Å; Q1438-R1446 PolarHBondContact O-NH1 3.47Å; C1441-R1446 PolarHBondContact O-NH1 3.31Å; V1443-R1446 PolarHBondContact O-N 3.33Å; R1446-A1448 PolarHBondContact O-N 3.47Å; R1446-L1449 PolarHBondContact O-N 2.81Å; R1446-W1450 WeakPolarHBondContact O-CB 3.45Å; R1446-W1450 VanDerWaalsContact O-CD1 3.29Å; R1446-W1450 PolarHBondContact O-N 2.97Å; R1446-E1479 IonicContact CZ-OE2 3.7Å; R1446-E1479 VanDerWaalsContact CZ-OE2 3.25Å; R1446-E1479 IonicContact NE-OE2 3.72Å; R1446-E1479 PolarHBondContact NE-OE2 3.21Å; R1446-E1479 IonicContact NH2-OE1 2.74Å; R1446-E1479 IonicContact NH2-OE2 3.25Å; R1446-E1479 PolarHBondContact NH2-OE2 3.17Å; R1446-M1484 HydrophobicContact CB-CE 3.61Å; R1446-M1484 HydrophobicContact CB-SD 3.79Å; R1446-M1484 WeakPolarHBondContact O-CE 3.49Å
1447R92.4Very high90Very high111 Ų11133.7 Ų33.742%0.41916%0.164SC..Hα-helixtrans-63.1-40.6178.8-168.2171.773178.93112.7V1443 K1444 G1451 E1452 M1484V1443-R1447 PolarHBondContact O-N 3.44Å; K1444-R1447 PolarHBondContact O-N 2.96Å; R1447-G1451 VanDerWaalsContact O-CA 3.24Å; R1447-G1451 WeakPolarHBondContact O-CA 3.01Å; R1447-G1451 PolarHBondContact O-N 2.92Å; R1447-E1452 PolarHBondContact O-N 3.45Å; R1447-M1484 HydrophobicContact CB-SD 4.22Å
1448A92.4Very high89.7Confident0 Ų036.8 Ų36.80%018%0.18CC..Iπ-helixtrans-59.7-49.8174.600000111.3Y1409 Y1412 I1413 K1444 Y1445 R1446 E1452 H1453Y1409-A1448 HydrophobicContact CE2-CB 3.89Å; Y1409-A1448 WeakPolarHBondContact OH-CB 3.49Å; Y1412-A1448 HydrophobicContact CE1-CB 4.18Å; I1413-A1448 HydrophobicContact CD1-CB 3.69Å; K1444-A1448 WeakPolarHBondContact O-CB 3.28Å; K1444-A1448 PolarHBondContact O-N 2.68Å; Y1445-A1448 PolarHBondContact O-N 3.2Å; R1446-A1448 PolarHBondContact O-N 3.47Å; A1448-E1452 PolarHBondContact O-N 2.83Å; A1448-H1453 WeakPolarHBondContact O-CB 3.39Å; A1448-H1453 PolarHBondContact O-N 3.33Å
1449L94.6Very high89.3Confident0 Ų037.5 Ų37.50%019%0.185CC..Iπ-helixtrans-68.1-48.5-178-175.761.3000113V1416 V1433 L1434 C1437 Y1445 R1446 H1453 V1456 L1457 L1460V1416-L1449 HydrophobicContact CG1-CD1 4.35Å; V1416-L1449 HydrophobicContact CG2-CD1 4.42Å; V1433-L1449 HydrophobicContact CG1-CD1 4.07Å; V1433-L1449 HydrophobicContact CG1-CD2 4.39Å; L1434-L1449 HydrophobicContact CD2-CD2 4.06Å; C1437-L1449 VanDerWaalsContact SG-CD2 3.56Å; Y1445-L1449 PolarHBondContact O-N 2.98Å; Y1445-L1449 VanDerWaalsContact O-N 3.11Å; R1446-L1449 PolarHBondContact O-N 2.81Å; L1449-H1453 CarbonylContact O-C 3.46Å; L1449-V1456 HydrophobicContact CD1-CB 4.47Å; L1449-V1456 HydrophobicContact CD1-CG1 4.33Å; L1449-L1457 HydrophobicContact CD1-CD2 4.42Å; L1449-L1457 HydrophobicContact CG-CD2 4.01Å; L1449-L1460 HydrophobicContact CD1-CD1 3.87Å; L1449-L1460 HydrophobicContact CD2-CD1 4.13Å; L1449-L1460 HydrophobicContact CG-CD1 4.35Å
1450W93.7Very high89.2Confident4 Ų436.7 Ų36.72%0.01518%0.181CC..Iπ-helixtrans-84.8-25.7-173-74.881.4000113.9R1446 Q1454 L1457 M1484 V1487 Y1488 A1491 V1497 L1505 I1508 A1509R1446-W1450 WeakPolarHBondContact O-CB 3.45Å; R1446-W1450 VanDerWaalsContact O-CD1 3.29Å; R1446-W1450 PolarHBondContact O-N 2.97Å; W1450-Q1454 WeakPolarHBondContact O-CG 3.37Å; W1450-L1457 HydrophobicContact CD2-CD1 4.2Å; W1450-L1457 HydrophobicContact CD2-CD2 4.33Å; W1450-L1457 HydrophobicContact CE3-CD1 3.74Å; W1450-L1457 HydrophobicContact CZ3-CD1 4.26Å; W1450-M1484 HydrophobicContact CB-CE 3.57Å; W1450-M1484 HydrophobicContact CD2-CE 4.42Å; W1450-M1484 HydrophobicContact CG-CE 3.6Å; W1450-V1487 HydrophobicContact CB-CG1 3.58Å; W1450-V1487 WeakPolarHBondContact O-CG1 3.17Å; W1450-Y1488 AromaticContact CD2-CD1 3.68Å; W1450-Y1488 HydrophobicContact CD2-CD1 3.68Å; W1450-Y1488 AromaticContact CD2-CE1 3.54Å; W1450-Y1488 HydrophobicContact CD2-CE1 3.54Å; W1450-Y1488 AromaticContact CE2-CD1 3.96Å; W1450-Y1488 AromaticContact CE2-CE1 3.46Å; W1450-Y1488 VanDerWaalsContact CE2-CE1 3.46Å; W1450-Y1488 AromaticContact CE3-CD1 3.57Å; W1450-Y1488 HydrophobicContact CE3-CD1 3.57Å; W1450-Y1488 AromaticContact CE3-CE1 3.95Å; W1450-Y1488 HydrophobicContact CE3-CE1 3.95Å; W1450-Y1488 HydrophobicContact CG-CD1 4.28Å; W1450-Y1488 AromaticContact CG-CE1 3.93Å; W1450-Y1488 HydrophobicContact CG-CE1 3.93Å; W1450-Y1488 AromaticContact CH2-CD1 3.97Å; W1450-Y1488 HydrophobicContact CH2-CD1 3.97Å; W1450-Y1488 HydrophobicContact CH2-CE1 4.11Å; W1450-Y1488 HydrophobicContact CZ2-CD1 4.1Å; W1450-Y1488 AromaticContact CZ2-CE1 3.76Å; W1450-Y1488 HydrophobicContact CZ2-CE1 3.76Å; W1450-Y1488 AromaticContact CZ3-CD1 3.72Å; W1450-Y1488 HydrophobicContact CZ3-CD1 3.72Å; W1450-Y1488 HydrophobicContact CZ3-CE1 4.21Å; W1450-Y1488 AromaticContact NE1-CE1 3.8Å; W1450-A1491 HydrophobicContact CE3-CB 3.92Å; W1450-A1491 HydrophobicContact CZ3-CB 3.98Å; W1450-V1497 HydrophobicContact CH2-CG2 4.43Å; W1450-V1497 HydrophobicContact CZ3-CG2 3.85Å; W1450-L1505 HydrophobicContact CH2-CB 3.65Å; W1450-L1505 HydrophobicContact CH2-CD2 4.23Å; W1450-L1505 HydrophobicContact CH2-CG 4.42Å; W1450-L1505 WeakPolarHBondContact CH2-O 3.28Å; W1450-L1505 HydrophobicContact CZ2-CB 3.93Å; W1450-L1505 HydrophobicContact CZ2-CD2 3.6Å; W1450-L1505 HydrophobicContact CZ2-CG 4.27Å; W1450-I1508 HydrophobicContact CZ2-CG2 4.41Å; W1450-A1509 HydrophobicContact CH2-CB 3.81Å; W1450-A1509 HydrophobicContact CZ3-CB 3.94Å
1451G89.1Confident89.1Confident26 Ų2638 Ų3827%0.26818%0.181SC..Iπ-helixtrans-102.9-77.1-177.600000111.7R1447 H1453 Q1454R1447-G1451 VanDerWaalsContact O-CA 3.24Å; R1447-G1451 WeakPolarHBondContact O-CA 3.01Å; R1447-G1451 PolarHBondContact O-N 2.92Å; G1451-H1453 VanDerWaalsContact C-N 3.31Å; G1451-H1453 PolarHBondContact O-N 2.83Å; G1451-Q1454 WeakPolarHBondContact O-CB 3.38Å; G1451-Q1454 PolarHBondContact O-N 2.72Å
1452E88.2Confident88.8Confident103 Ų10337.6 Ų37.648%0.48118%0.177SC..Iπ-helixtrans-62.6-36.8-171-65.7168.3-16300112.7Y1409 R1447 A1448Y1409-E1452 PolarHBondContact OH-OE2 2.78Å; R1447-E1452 PolarHBondContact O-N 3.45Å; A1448-E1452 PolarHBondContact O-N 2.83Å
1453H89.9Confident88.3Confident25 Ų2533.2 Ų33.212%0.11616%0.158CC..THydrogen-bonded Turntrans-113.436.4-179.1-65.9-90.5000112.5V1416 N1417 A1448 L1449 G1451 Q1455 V1456V1416-H1453 HydrophobicContact CG1-CB 3.73Å; N1417-H1453 PolarHBondContact OD1-CE1 2.94Å; N1417-H1453 PolarHBondContact OD1-ND1 3.26Å; A1448-H1453 WeakPolarHBondContact O-CB 3.39Å; A1448-H1453 PolarHBondContact O-N 3.33Å; L1449-H1453 CarbonylContact O-C 3.46Å; G1451-H1453 VanDerWaalsContact C-N 3.31Å; G1451-H1453 PolarHBondContact O-N 2.83Å; H1453-Q1455 VanDerWaalsContact C-OE1 3.31Å; H1453-Q1455 PolarHBondContact O-N 2.88Å; H1453-V1456 HydrophobicContact CB-CG2 3.92Å; H1453-V1456 VanDerWaalsContact O-CB 3.26Å; H1453-V1456 WeakPolarHBondContact O-CB 3.22Å; H1453-V1456 VanDerWaalsContact O-CG2 3.32Å; H1453-V1456 WeakPolarHBondContact O-CG2 3.13Å; H1453-V1456 PolarHBondContact O-N 3.34Å
1454Q87.2Confident87.8Confident50 Ų5032.6 Ų32.623%0.23415%0.154CC..G310 helixtrans-55.7-26-176.2-166.9177.1-2.300113.9W1450 G1451 V1456 L1457 T1496W1450-Q1454 WeakPolarHBondContact O-CG 3.37Å; G1451-Q1454 WeakPolarHBondContact O-CB 3.38Å; G1451-Q1454 PolarHBondContact O-N 2.72Å; Q1454-V1456 PolarHBondContact O-N 2.94Å; Q1454-L1457 HydrophobicContact CG-CD1 3.81Å; Q1454-L1457 HydrophobicContact CG-CG 4.47Å; Q1454-L1457 WeakPolarHBondContact O-CB 3.37Å; Q1454-L1457 WeakPolarHBondContact O-CG 3.38Å; Q1454-L1457 PolarHBondContact O-N 2.81Å; Q1454-L1457 VanDerWaalsContact O-N 3.13Å; Q1454-T1496 PolarHBondContact NE2-OG1 3.42Å
1455Q84.7Confident87.1Confident95 Ų9532.1 Ų32.144%0.44416%0.155SC..G310 helixtrans-57.9-30.2173.364.5-80.78.800113.3H1453 L1457 N1458H1453-Q1455 VanDerWaalsContact C-OE1 3.31Å; H1453-Q1455 PolarHBondContact O-N 2.88Å; Q1455-L1457 VanDerWaalsContact C-N 3.26Å; Q1455-L1457 PolarHBondContact O-N 3.4Å; Q1455-N1458 WeakPolarHBondContact O-CB 3.37Å; Q1455-N1458 PolarHBondContact O-N 3.4Å
1456V89.5Confident86.5Confident0 Ų033.2 Ų33.20%016%0.16CC..G310 helixtrans-70.5-24.2-179.8-174.50000111.7V1416 Y1419 N1420 L1449 H1453 Q1454 N1458 S1459 L1460V1416-V1456 HydrophobicContact CG1-CB 4.42Å; V1416-V1456 HydrophobicContact CG1-CG1 4.35Å; V1416-V1456 HydrophobicContact CG1-CG2 3.87Å; Y1419-V1456 HydrophobicContact CD1-CG1 3.58Å; Y1419-V1456 HydrophobicContact CE1-CG1 3.99Å; N1420-V1456 HydrophobicContact CB-CG2 3.72Å; L1449-V1456 HydrophobicContact CD1-CB 4.47Å; L1449-V1456 HydrophobicContact CD1-CG1 4.33Å; H1453-V1456 HydrophobicContact CB-CG2 3.92Å; H1453-V1456 VanDerWaalsContact O-CB 3.26Å; H1453-V1456 WeakPolarHBondContact O-CB 3.22Å; H1453-V1456 VanDerWaalsContact O-CG2 3.32Å; H1453-V1456 WeakPolarHBondContact O-CG2 3.13Å; H1453-V1456 PolarHBondContact O-N 3.34Å; Q1454-V1456 PolarHBondContact O-N 2.94Å; V1456-N1458 PolarHBondContact O-N 3.41Å; V1456-N1458 VanDerWaalsContact O-N 3.16Å; V1456-S1459 PolarHBondContact O-N 3.47Å; V1456-S1459 VanDerWaalsContact O-N 3.12Å; V1456-S1459 PolarHBondContact O-OG 3.12Å; V1456-L1460 HydrophobicContact CG1-CD1 4.3Å; V1456-L1460 HydrophobicContact CG1-CG 4.42Å; V1456-L1460 PolarHBondContact O-N 3.21Å
1457L89.1Confident85.9Confident0 Ų033.3 Ų33.30%016%0.161CC..G310 helixtrans-59.8-29.7175.9-54.6-177.3000111.4L1449 W1450 Q1454 Q1455 S1459 L1460 A1491 V1497 Q1502 L1505L1449-L1457 HydrophobicContact CD1-CD2 4.42Å; L1449-L1457 HydrophobicContact CG-CD2 4.01Å; W1450-L1457 HydrophobicContact CD2-CD1 4.2Å; W1450-L1457 HydrophobicContact CD2-CD2 4.33Å; W1450-L1457 HydrophobicContact CE3-CD1 3.74Å; W1450-L1457 HydrophobicContact CZ3-CD1 4.26Å; Q1454-L1457 HydrophobicContact CG-CD1 3.81Å; Q1454-L1457 HydrophobicContact CG-CG 4.47Å; Q1454-L1457 WeakPolarHBondContact O-CB 3.37Å; Q1454-L1457 WeakPolarHBondContact O-CG 3.38Å; Q1454-L1457 PolarHBondContact O-N 2.81Å; Q1454-L1457 VanDerWaalsContact O-N 3.13Å; Q1455-L1457 VanDerWaalsContact C-N 3.26Å; Q1455-L1457 PolarHBondContact O-N 3.4Å; L1457-S1459 VanDerWaalsContact C-N 3.3Å; L1457-S1459 PolarHBondContact O-N 3.29Å; L1457-L1460 HydrophobicContact CD2-CD1 4.18Å; L1457-L1460 PolarHBondContact O-N 3.01Å; L1457-A1491 HydrophobicContact CD1-CB 4.4Å; L1457-V1497 HydrophobicContact CB-CG2 4.21Å; L1457-V1497 HydrophobicContact CD1-CG2 3.7Å; L1457-Q1502 WeakPolarHBondContact O-CG 3.22Å; L1457-Q1502 PolarHBondContact O-NE2 3.08Å; L1457-L1505 HydrophobicContact CB-CD1 4.25Å; L1457-L1505 HydrophobicContact CD2-CD1 4.01Å
1458N85.7Confident85.4Confident71 Ų7128.4 Ų28.438%0.3814%0.144SC..G310 helixtrans-66-29.8179.1-67.8-33.3000113.8Q1455 V1456 R1461 T1496Q1455-N1458 WeakPolarHBondContact O-CB 3.37Å; Q1455-N1458 PolarHBondContact O-N 3.4Å; V1456-N1458 PolarHBondContact O-N 3.41Å; V1456-N1458 VanDerWaalsContact O-N 3.16Å; N1458-R1461 PolarHBondContact O-NE 3.41Å; N1458-T1496 PolarHBondContact OD1-O 3.03Å
1459S84.2Confident84.9Confident16 Ų1628.6 Ų28.611%0.11215%0.145CC..THydrogen-bonded Turntrans-90.4-18.7176.9460000113Y1419 N1425 V1456 L1457 R1461Y1419-S1459 PolarHBondContact OH-O 2.91Å; N1425-S1459 WeakPolarHBondContact CB-O 3.4Å; N1425-S1459 VanDerWaalsContact OD1-CA 3.25Å; N1425-S1459 WeakPolarHBondContact OD1-CA 3.25Å; N1425-S1459 WeakPolarHBondContact OD1-CB 3.38Å; N1425-S1459 PolarHBondContact OD1-O 3.39Å; N1425-S1459 VanDerWaalsContact OD1-O 3.05Å; V1456-S1459 PolarHBondContact O-N 3.47Å; V1456-S1459 VanDerWaalsContact O-N 3.12Å; V1456-S1459 PolarHBondContact O-OG 3.12Å; L1457-S1459 VanDerWaalsContact C-N 3.3Å; L1457-S1459 PolarHBondContact O-N 3.29Å; S1459-R1461 VanDerWaalsContact C-N 3.31Å; S1459-R1461 PolarHBondContact O-N 3.33Å
1460L86.9Confident84.3Confident0 Ų030.5 Ų30.50%016%0.157CC..  trans-76.472175.6-73.8168.9000113Y1419 A1430 L1449 V1456 L1457 I1462 Q1502 L1505Y1419-L1460 HydrophobicContact CD1-CD2 4.43Å; Y1419-L1460 HydrophobicContact CE1-CD2 3.66Å; Y1419-L1460 HydrophobicContact CE1-CG 3.83Å; Y1419-L1460 HydrophobicContact CE2-CD2 4.26Å; A1430-L1460 HydrophobicContact CB-CD2 3.69Å; L1449-L1460 HydrophobicContact CD1-CD1 3.87Å; L1449-L1460 HydrophobicContact CD2-CD1 4.13Å; L1449-L1460 HydrophobicContact CG-CD1 4.35Å; V1456-L1460 HydrophobicContact CG1-CD1 4.3Å; V1456-L1460 HydrophobicContact CG1-CG 4.42Å; V1456-L1460 PolarHBondContact O-N 3.21Å; L1457-L1460 HydrophobicContact CD2-CD1 4.18Å; L1457-L1460 PolarHBondContact O-N 3.01Å; L1460-I1462 PolarHBondContact O-N 2.99Å; L1460-Q1502 WeakPolarHBondContact O-CG 3.46Å; L1460-L1505 HydrophobicContact CB-CD1 4.03Å
1461R82.6Confident83.9Confident110 Ų11030.7 Ų30.742%0.41516%0.158SC..  trans-95.746.1-177.6-61.1-169.1-175.5172.81.4114.3N1458 S1459 Y1612N1458-R1461 PolarHBondContact O-NE 3.41Å; S1459-R1461 VanDerWaalsContact C-N 3.31Å; S1459-R1461 PolarHBondContact O-N 3.33Å; R1461-Y1612 PolarHBondContact O-OH 3.45Å
1462I83.1Confident83.7Confident3 Ų331.7 Ų31.72%0.01516%0.161CC..  trans-82.4138.1180-165.9171.3000111.7A1430 N1431 L1434 L1460 Q1466 L1467 L1504A1430-I1462 HydrophobicContact CB-CD1 4.43Å; N1431-I1462 VanDerWaalsContact ND2-CD1 3.33Å; N1431-I1462 WeakPolarHBondContact ND2-CD1 3.34Å; L1434-I1462 HydrophobicContact CD1-CD1 4.47Å; L1434-I1462 HydrophobicContact CD1-CG2 4.03Å; L1460-I1462 PolarHBondContact O-N 2.99Å; I1462-Q1466 HydrophobicContact CD1-CB 4.43Å; I1462-Q1466 HydrophobicContact CG1-CB 3.84Å; I1462-L1467 HydrophobicContact CD1-CD1 4.26Å; I1462-L1504 HydrophobicContact CG2-CB 4.26Å; I1462-L1504 HydrophobicContact CG2-CD2 3.5Å; I1462-L1504 HydrophobicContact CG2-CG 4.48Å
1463V76.3Confident83.6Confident10 Ų1027.8 Ų27.86%0.06115%0.145CC..  trans-100.3156.9173.9172.70000110.8S1465 Q1466 L1467 P1503 Y1612V1463-S1465 PolarHBondContact O-N 2.88Å; V1463-S1465 VanDerWaalsContact O-N 3.15Å; V1463-Q1466 WeakPolarHBondContact O-CA 3.42Å; V1463-Q1466 WeakPolarHBondContact O-CB 3.38Å; V1463-Q1466 PolarHBondContact O-N 3.19Å; V1463-L1467 PolarHBondContact O-N 2.91Å; V1463-P1503 HydrophobicContact CG2-CG 4.07Å; V1463-Y1612 HydrophobicContact CB-CD2 4.06Å; V1463-Y1612 HydrophobicContact CB-CE2 4.03Å; V1463-Y1612 HydrophobicContact CG2-CD2 3.36Å; V1463-Y1612 HydrophobicContact CG2-CE2 3.11Å; V1463-Y1612 HydrophobicContact CG2-CG 4.21Å
1464L76.7Confident83.6Confident13 Ų1326.9 Ų26.97%0.06814%0.141CC..G310 helixtrans-52.2-36.2179.8-71.2169.6000112.9Q1466 L1467 L1471 L1504 L1507 W1576L1464-Q1466 PolarHBondContact O-N 3.07Å; L1464-L1467 PolarHBondContact O-N 3.28Å; L1464-L1471 HydrophobicContact CD2-CD1 4.01Å; L1464-L1471 HydrophobicContact CD2-CD2 4.04Å; L1464-L1504 HydrophobicContact CD2-CD1 3.7Å; L1464-L1507 HydrophobicContact CD1-CD2 4.4Å; L1464-L1507 HydrophobicContact CD2-CD2 4.23Å; L1464-W1576 VanDerWaalsContact C-CH2 3.44Å; L1464-W1576 HydrophobicContact CB-CD2 3.91Å; L1464-W1576 HydrophobicContact CB-CE3 3.88Å; L1464-W1576 HydrophobicContact CB-CH2 3.77Å; L1464-W1576 HydrophobicContact CB-CZ2 3.75Å; L1464-W1576 HydrophobicContact CB-CZ3 3.82Å; L1464-W1576 HydrophobicContact CD1-CD2 4.23Å; L1464-W1576 HydrophobicContact CD1-CG 4.26Å; L1464-W1576 WeakPolarHBondContact O-CZ3 3.49Å
1465S75.4Confident83.7Confident27 Ų2724.5 Ų24.519%0.18913%0.13CC..G310 helixtrans-70.1-11.6177.359.10000115.3V1463 W1576 N1588V1463-S1465 PolarHBondContact O-N 2.88Å; V1463-S1465 VanDerWaalsContact O-N 3.15Å; S1465-W1576 VanDerWaalsContact CA-CH2 3.45Å; S1465-W1576 VanDerWaalsContact N-CH2 3.3Å; S1465-N1588 PolarHBondContact O-ND2 3.48Å
1466Q81.5Confident83.8Confident25 Ų2524.8 Ų24.812%0.11713%0.131CC..G310 helixtrans-106.6-3.4179.4-56.8-178.1-47.700112.5P1427 N1431 I1462 V1463 L1464 V1468 N1588 L1589P1427-Q1466 HydrophobicContact CB-CB 4.37Å; N1431-Q1466 PolarHBondContact ND2-O 3.4Å; I1462-Q1466 HydrophobicContact CD1-CB 4.43Å; I1462-Q1466 HydrophobicContact CG1-CB 3.84Å; V1463-Q1466 WeakPolarHBondContact O-CA 3.42Å; V1463-Q1466 WeakPolarHBondContact O-CB 3.38Å; V1463-Q1466 PolarHBondContact O-N 3.19Å; L1464-Q1466 PolarHBondContact O-N 3.07Å; Q1466-V1468 PolarHBondContact O-N 2.82Å; Q1466-N1588 WeakPolarHBondContact CG-O 3.09Å; Q1466-N1588 PolarHBondContact NE2-O 2.89Å; Q1466-L1589 HydrophobicContact CB-CD2 4.09Å; Q1466-L1589 WeakPolarHBondContact O-CD2 3.2Å
1467L81.7Confident83.7Confident10 Ų1028.1 Ų28.15%0.05215%0.153CC..  trans-80115.8-177.5-17469.2000110.2L1434 I1462 V1463 L1464 I1469 L1471 F1474 L1504 I1583L1434-L1467 HydrophobicContact CD1-CD1 4.41Å; I1462-L1467 HydrophobicContact CD1-CD1 4.26Å; V1463-L1467 PolarHBondContact O-N 2.91Å; L1464-L1467 PolarHBondContact O-N 3.28Å; L1467-I1469 WeakPolarHBondContact CD2-O 3.44Å; L1467-I1469 WeakPolarHBondContact CG-O 3.4Å; L1467-L1471 HydrophobicContact CD2-CB 4.35Å; L1467-L1471 HydrophobicContact CD2-CD1 4.41Å; L1467-F1474 HydrophobicContact CD1-CE2 4Å; L1467-F1474 HydrophobicContact CD1-CZ 4.45Å; L1467-F1474 HydrophobicContact CD2-CD2 4.28Å; L1467-F1474 HydrophobicContact CD2-CE2 4.06Å; L1467-F1474 HydrophobicContact CG-CE2 4.43Å; L1467-L1504 HydrophobicContact CD1-CD2 3.73Å; L1467-L1504 HydrophobicContact CD2-CD1 4.01Å; L1467-L1504 HydrophobicContact CD2-CD2 4.26Å; L1467-L1504 HydrophobicContact CG-CD2 4.46Å; L1467-I1583 WeakPolarHBondContact O-CD1 3.46Å
1468V80.7Confident83.6Confident8 Ų830.7 Ų30.75%0.04817%0.168CC..  trans-73-37.9-178.7173.10000111.9L1374 Y1375 N1431 Q1466 L1589L1374-V1468 HydrophobicContact CB-CG1 4.14Å; Y1375-V1468 HydrophobicContact CD2-CG1 4.11Å; Y1375-V1468 HydrophobicContact CG-CG1 4.43Å; Y1375-V1468 VanDerWaalsContact N-CG1 3.35Å; N1431-V1468 HydrophobicContact CB-CB 4.36Å; N1431-V1468 HydrophobicContact CB-CG2 4.26Å; N1431-V1468 WeakPolarHBondContact OD1-CB 3.31Å; N1431-V1468 PolarHBondContact OD1-N 3.41Å; Q1466-V1468 PolarHBondContact O-N 2.82Å; V1468-L1589 HydrophobicContact CG2-CD1 4.24Å
1469I82.9Confident83.8Confident4 Ų427.7 Ų27.72%0.02115%0.152CC..SBendtrans-85.9137.4-178.3-62.4164000109.6P1379 W1435 Q1438 L1467 L1471 F1474P1379-I1469 HydrophobicContact CB-CG2 4.17Å; W1435-I1469 HydrophobicContact CB-CD1 3.82Å; W1435-I1469 HydrophobicContact CG-CD1 3.79Å; Q1438-I1469 HydrophobicContact CG-CG2 4.23Å; L1467-I1469 WeakPolarHBondContact CD2-O 3.44Å; L1467-I1469 WeakPolarHBondContact CG-O 3.4Å; I1469-L1471 PolarHBondContact O-N 2.94Å; I1469-F1474 HydrophobicContact CB-CE2 3.82Å; I1469-F1474 HydrophobicContact CB-CZ 4.15Å; I1469-F1474 HydrophobicContact CD1-CE2 4.5Å; I1469-F1474 HydrophobicContact CD1-CZ 3.97Å; I1469-F1474 HydrophobicContact CG2-CD2 4.45Å; I1469-F1474 HydrophobicContact CG2-CE2 3.61Å; I1469-F1474 HydrophobicContact CG2-CZ 4Å
1470P82.2Confident83.8Confident41 Ų4131.6 Ų31.627%0.26618%0.179SC..  trans-53.6131.3177-27.736.4000112.6P1379 S1472 S1473P1379-P1470 HydrophobicContact CG-CG 4Å; P1470-S1472 PolarHBondContact O-N 3.33Å; P1470-S1472 VanDerWaalsContact O-N 3.09Å; P1470-S1473 WeakPolarHBondContact O-CB 3.5Å; P1470-S1473 PolarHBondContact O-N 3.42Å
1471L84.3Confident83.9Confident8 Ų834.2 Ų34.24%0.04219%0.193CC..THydrogen-bonded Turntrans-53.8-35.4-179.6176.665000112.1L1464 L1467 I1469 S1473 F1474 L1475 L1504 L1507 P1572 W1576L1464-L1471 HydrophobicContact CD2-CD1 4.01Å; L1464-L1471 HydrophobicContact CD2-CD2 4.04Å; L1467-L1471 HydrophobicContact CD2-CB 4.35Å; L1467-L1471 HydrophobicContact CD2-CD1 4.41Å; I1469-L1471 PolarHBondContact O-N 2.94Å; L1471-S1473 PolarHBondContact O-N 3.01Å; L1471-F1474 PolarHBondContact O-N 3.49Å; L1471-F1474 VanDerWaalsContact O-N 3.07Å; L1471-L1475 HydrophobicContact CD1-CD1 4.19Å; L1471-L1475 HydrophobicContact CD1-CG 4.32Å; L1471-L1475 HydrophobicContact CD2-CD1 4.11Å; L1471-L1475 HydrophobicContact CG-CD1 3.79Å; L1471-L1475 HydrophobicContact CG-CG 4.27Å; L1471-L1475 WeakPolarHBondContact O-CG 3.35Å; L1471-L1475 PolarHBondContact O-N 3.27Å; L1471-L1504 HydrophobicContact CD1-CD1 3.64Å; L1471-L1507 HydrophobicContact CD1-CD2 4.25Å; L1471-L1507 HydrophobicContact CD2-CD2 3.96Å; L1471-P1572 HydrophobicContact CD2-CB 4.08Å; L1471-P1572 HydrophobicContact CD2-CG 4.44Å; L1471-W1576 HydrophobicContact CD2-CB 4.02Å
1472S85Confident84.1Confident47 Ų4730.5 Ų30.533%0.32919%0.185SC..Hα-helixtrans-54.1-34.7177.153.90000113P1470 F1474 L1475 E1476P1470-S1472 PolarHBondContact O-N 3.33Å; P1470-S1472 VanDerWaalsContact O-N 3.09Å; S1472-F1474 PolarHBondContact O-N 3.45Å; S1472-L1475 PolarHBondContact O-N 2.94Å; S1472-L1475 VanDerWaalsContact O-N 3.1Å; S1472-E1476 PolarHBondContact O-N 3.29Å
1473S87.1Confident84.4Confident21 Ų2132.4 Ų32.415%0.14720%0.198CC..Hα-helixtrans-66.7-17.7-179.1-58.80000113.7P1379 Q1438 Q1439 P1470 L1471P1379-S1473 VanDerWaalsContact CB-OG 3.26Å; P1379-S1473 WeakPolarHBondContact CB-OG 3.34Å; Q1438-S1473 CarbonylContact C-O 3.53Å; Q1438-S1473 WeakPolarHBondContact CA-O 3.29Å; Q1439-S1473 PolarHBondContact N-O 3.08Å; P1470-S1473 WeakPolarHBondContact O-CB 3.5Å; P1470-S1473 PolarHBondContact O-N 3.42Å; L1471-S1473 PolarHBondContact O-N 3.01Å
1474F89.9Confident85.2Confident5 Ų532 Ų322%0.02220%0.195CC..Hα-helixtrans-96.2-17.3174.6-63.1-79.1000113.5L1434 C1437 Q1438 Q1439 L1467 I1469 L1471 S1472 I1508 H1512L1434-F1474 HydrophobicContact CB-CE1 4.25Å; L1434-F1474 HydrophobicContact CB-CZ 4.14Å; L1434-F1474 WeakPolarHBondContact O-CE1 3.4Å; C1437-F1474 HydrophobicContact CB-CE1 4.27Å; Q1438-F1474 HydrophobicContact CG-CE1 4.16Å; Q1438-F1474 HydrophobicContact CG-CZ 4.3Å; Q1439-F1474 VanDerWaalsContact CG-O 3.24Å; Q1439-F1474 WeakPolarHBondContact CG-O 3.32Å; Q1439-F1474 PolarHBondContact NE2-O 3.22Å; Q1439-F1474 VanDerWaalsContact NE2-O 3.07Å; L1467-F1474 HydrophobicContact CD1-CE2 4Å; L1467-F1474 HydrophobicContact CD1-CZ 4.45Å; L1467-F1474 HydrophobicContact CD2-CD2 4.28Å; L1467-F1474 HydrophobicContact CD2-CE2 4.06Å; L1467-F1474 HydrophobicContact CG-CE2 4.43Å; I1469-F1474 HydrophobicContact CB-CE2 3.82Å; I1469-F1474 HydrophobicContact CB-CZ 4.15Å; I1469-F1474 HydrophobicContact CD1-CE2 4.5Å; I1469-F1474 HydrophobicContact CD1-CZ 3.97Å; I1469-F1474 HydrophobicContact CG2-CD2 4.45Å; I1469-F1474 HydrophobicContact CG2-CE2 3.61Å; I1469-F1474 HydrophobicContact CG2-CZ 4Å; L1471-F1474 PolarHBondContact O-N 3.49Å; L1471-F1474 VanDerWaalsContact O-N 3.07Å; S1472-F1474 PolarHBondContact O-N 3.45Å; F1474-I1508 HydrophobicContact CB-CD1 3.96Å; F1474-I1508 HydrophobicContact CB-CG1 4.17Å; F1474-I1508 HydrophobicContact CD1-CD1 4.39Å; F1474-I1508 HydrophobicContact CG-CD1 4.19Å; F1474-H1512 PolarHBondContact O-NE2 2.81Å
1475L89.4Confident86Confident1 Ų131.3 Ų31.31%0.00519%0.192CC..Hα-helixtrans-104.7-34.8-173.8-58.9-175.8000112.5L1471 S1472 P1477 I1508 H1511 H1512 P1572 L1577L1471-L1475 HydrophobicContact CD1-CD1 4.19Å; L1471-L1475 HydrophobicContact CD1-CG 4.32Å; L1471-L1475 HydrophobicContact CD2-CD1 4.11Å; L1471-L1475 HydrophobicContact CG-CD1 3.79Å; L1471-L1475 HydrophobicContact CG-CG 4.27Å; L1471-L1475 WeakPolarHBondContact O-CG 3.35Å; L1471-L1475 PolarHBondContact O-N 3.27Å; S1472-L1475 PolarHBondContact O-N 2.94Å; S1472-L1475 VanDerWaalsContact O-N 3.1Å; L1475-P1477 CarbonylContact O-C 3.45Å; L1475-I1508 HydrophobicContact CD2-CG1 4.17Å; L1475-H1511 HydrophobicContact CD2-CB 3.81Å; L1475-H1512 PolarHBondContact O-CE1 3.2Å; L1475-P1572 HydrophobicContact CD1-CB 4.43Å; L1475-P1572 HydrophobicContact CD1-CG 3.68Å; L1475-L1577 HydrophobicContact CD1-CD2 4.38Å
1476E85.4Confident86.7Confident100 Ų10033.8 Ų33.847%0.46720%0.197SC..SBendtrans-119.4136.3-176.7-63.8-65.7168.900110.8S1472S1472-E1476 PolarHBondContact O-N 3.29Å
1477P88.5Confident87.2Confident71 Ų7134 Ų3446%0.46120%0.2SC..SBendcis-65.6154.6-7.529.2-36.4000112.6Q1439 L1475Q1439-P1477 HydrophobicContact CB-CG 4.28Å; Q1439-P1477 VanDerWaalsContact CG-O 3.28Å; Q1439-P1477 WeakPolarHBondContact CG-O 3.36Å; Q1439-P1477 PolarHBondContact OE1-O 3.05Å; L1475-P1477 CarbonylContact O-C 3.45Å
1478V86.3Confident87.8Confident53 Ų5333.6 Ų33.632%0.32120%0.198SC..PPolyproline II helixtrans-58.8136.4177.5176.80000111.2S1480 R1515V1478-S1480 PolarHBondContact O-N 3.18Å; V1478-R1515 HydrophobicContact CB-CB 4.43Å; V1478-R1515 HydrophobicContact CG1-CB 3.43Å; V1478-R1515 VanDerWaalsContact CG1-CB 3.43Å; V1478-R1515 HydrophobicContact CG1-CG 4.25Å; V1478-R1515 HydrophobicContact CG2-CB 4.08Å; V1478-R1515 HydrophobicContact CG2-CG 4.07Å
1479E89.5Confident88.3Confident8 Ų833.4 Ų33.44%0.03720%0.197CC..PPolyproline II helixtrans-62.2118.1178.4-178.264.6-101.300111.5R1446 N1481 M1484 I1485 Y1488 H1512R1446-E1479 IonicContact CZ-OE2 3.7Å; R1446-E1479 VanDerWaalsContact CZ-OE2 3.25Å; R1446-E1479 IonicContact NE-OE2 3.72Å; R1446-E1479 PolarHBondContact NE-OE2 3.21Å; R1446-E1479 IonicContact NH2-OE1 2.74Å; R1446-E1479 IonicContact NH2-OE2 3.25Å; R1446-E1479 PolarHBondContact NH2-OE2 3.17Å; E1479-N1481 WeakPolarHBondContact OE1-CB 3.49Å; E1479-N1481 PolarHBondContact OE1-N 3.46Å; E1479-M1484 HydrophobicContact CG-CB 4.04Å; E1479-M1484 HydrophobicContact CG-CG 4.19Å; E1479-I1485 HydrophobicContact CB-CD1 3.99Å; E1479-I1485 HydrophobicContact CG-CD1 3.85Å; E1479-I1485 HydrophobicContact CG-CG1 4.21Å; E1479-Y1488 HydrophobicContact CG-CE2 4.26Å; E1479-H1512 HydrophobicContact CB-CB 4.05Å; E1479-H1512 WeakPolarHBondContact CB-ND1 3.39Å; E1479-H1512 PolarHBondContact N-ND1 3.38Å
1480S84.9Confident88.6Confident98 Ų9835.6 Ų35.669%0.68522%0.216SC*.  trans-96.8-16.5178.558.50000112.7V1478 S1482V1478-S1480 PolarHBondContact O-N 3.18Å; S1480-S1482 PolarHBondContact O-N 3.03Å
1481N88.3Confident89Confident55 Ų5533.7 Ų33.729%0.29420%0.203SC..  trans-76.2110.2-175.4-167.9-42.3000111.9V1443 E1479 S1483 M1484 I1485V1443-N1481 HydrophobicContact CG2-CB 4.21Å; E1479-N1481 WeakPolarHBondContact OE1-CB 3.49Å; E1479-N1481 PolarHBondContact OE1-N 3.46Å; N1481-S1483 PolarHBondContact O-N 3.18Å; N1481-S1483 VanDerWaalsContact O-N 3.14Å; N1481-S1483 WeakPolarHBondContact OD1-CB 3.16Å; N1481-S1483 PolarHBondContact OD1-N 3.45Å; N1481-S1483 PolarHBondContact OD1-OG 3.22Å; N1481-M1484 HydrophobicContact CB-CB 4.25Å; N1481-M1484 PolarHBondContact O-N 3.06Å; N1481-I1485 WeakPolarHBondContact O-CG1 3.36Å; N1481-I1485 PolarHBondContact O-N 3.08Å; N1481-I1485 VanDerWaalsContact O-N 3.15Å
1482S87.5Confident89.2Confident33 Ų3333.5 Ų33.523%0.23120%0.203CC..Hα-helixtrans-55.1-33.2179.7-168.80000113.9S1480 R1486 Y1516 F1527S1480-S1482 PolarHBondContact O-N 3.03Å; S1482-R1486 PolarHBondContact O-N 3.42Å; S1482-R1486 VanDerWaalsContact O-N 3.08Å; S1482-Y1516 WeakPolarHBondContact CB-OH 3.48Å; S1482-Y1516 PolarHBondContact OG-OH 2.91Å; S1482-F1527 WeakPolarHBondContact OG-CB 3.33Å
1483S88.5Confident89.2Confident43 Ų4333.1 Ų33.130%0.30120%0.197SC..Hα-helixtrans-67.8-40.7178.671.70000111.8N1481 R1486 V1487N1481-S1483 PolarHBondContact O-N 3.18Å; N1481-S1483 VanDerWaalsContact O-N 3.14Å; N1481-S1483 WeakPolarHBondContact OD1-CB 3.16Å; N1481-S1483 PolarHBondContact OD1-N 3.45Å; N1481-S1483 PolarHBondContact OD1-OG 3.22Å; S1483-R1486 WeakPolarHBondContact O-CB 3.32Å; S1483-R1486 PolarHBondContact O-N 3.31Å; S1483-V1487 WeakPolarHBondContact O-CG2 3.41Å; S1483-V1487 PolarHBondContact O-N 3.49Å
1484M93.4Very high89.1Confident0 Ų035.7 Ų35.70%021%0.214CC..Hα-helixtrans-68.4-39.3178.3-166.764.2-15200111.3V1443 R1446 R1447 W1450 E1479 N1481 R1486 V1487 Y1488V1443-M1484 HydrophobicContact CG2-CB 4.01Å; V1443-M1484 HydrophobicContact CG2-CG 4.21Å; V1443-M1484 HydrophobicContact CG2-SD 4.38Å; R1446-M1484 HydrophobicContact CB-CE 3.61Å; R1446-M1484 HydrophobicContact CB-SD 3.79Å; R1446-M1484 WeakPolarHBondContact O-CE 3.49Å; R1447-M1484 HydrophobicContact CB-SD 4.22Å; W1450-M1484 HydrophobicContact CB-CE 3.57Å; W1450-M1484 HydrophobicContact CD2-CE 4.42Å; W1450-M1484 HydrophobicContact CG-CE 3.6Å; E1479-M1484 HydrophobicContact CG-CB 4.04Å; E1479-M1484 HydrophobicContact CG-CG 4.19Å; N1481-M1484 HydrophobicContact CB-CB 4.25Å; N1481-M1484 PolarHBondContact O-N 3.06Å; M1484-R1486 VanDerWaalsContact C-N 3.3Å; M1484-R1486 PolarHBondContact O-N 3.25Å; M1484-V1487 WeakPolarHBondContact O-CB 3.35Å; M1484-V1487 PolarHBondContact O-N 3.18Å; M1484-V1487 VanDerWaalsContact O-N 3.09Å; M1484-Y1488 HydrophobicContact CE-CD1 3.97Å; M1484-Y1488 HydrophobicContact CE-CE1 3.34Å; M1484-Y1488 HydrophobicContact CE-CE2 4.08Å; M1484-Y1488 VanDerWaalsContact CE-CZ 3.4Å; M1484-Y1488 HydrophobicContact CG-CD2 4.27Å; M1484-Y1488 HydrophobicContact CG-CE2 3.69Å; M1484-Y1488 WeakPolarHBondContact O-CD2 3.42Å; M1484-Y1488 PolarHBondContact O-N 2.67Å
1485I92.7Very high88.8Confident0 Ų037 Ų370%023%0.23CC..Hα-helixtrans-60.8-39174.5-60.5-66.6000111.6E1479 N1481 V1487 Y1488 A1489 H1512 L1513 Y1516 F1527E1479-I1485 HydrophobicContact CB-CD1 3.99Å; E1479-I1485 HydrophobicContact CG-CD1 3.85Å; E1479-I1485 HydrophobicContact CG-CG1 4.21Å; N1481-I1485 WeakPolarHBondContact O-CG1 3.36Å; N1481-I1485 PolarHBondContact O-N 3.08Å; N1481-I1485 VanDerWaalsContact O-N 3.15Å; I1485-V1487 VanDerWaalsContact C-N 3.32Å; I1485-V1487 PolarHBondContact O-N 3.08Å; I1485-Y1488 HydrophobicContact CD1-CD2 4.27Å; I1485-Y1488 PolarHBondContact O-N 3.12Å; I1485-A1489 WeakPolarHBondContact O-CB 3.45Å; I1485-A1489 PolarHBondContact O-N 3.41Å; I1485-H1512 HydrophobicContact CD1-CB 3.91Å; I1485-L1513 HydrophobicContact CG2-CD1 3.75Å; I1485-Y1516 HydrophobicContact CB-CG 4.43Å; I1485-Y1516 HydrophobicContact CD1-CD2 4.13Å; I1485-Y1516 HydrophobicContact CD1-CG 4.11Å; I1485-Y1516 HydrophobicContact CG1-CD1 4.48Å; I1485-Y1516 HydrophobicContact CG1-CD2 3.6Å; I1485-Y1516 HydrophobicContact CG1-CE2 4.11Å; I1485-Y1516 HydrophobicContact CG1-CG 3.8Å; I1485-Y1516 HydrophobicContact CG2-CD1 4.02Å; I1485-Y1516 HydrophobicContact CG2-CG 4.05Å; I1485-F1527 HydrophobicContact CG2-CD1 3.77Å; I1485-F1527 HydrophobicContact CG2-CE1 3.34Å; I1485-F1527 HydrophobicContact CG2-CE2 4.43Å; I1485-F1527 HydrophobicContact CG2-CG 4.47Å; I1485-F1527 HydrophobicContact CG2-CZ 3.71Å
1486R91.7Very high88.6Confident79 Ų7938.7 Ų38.730%0.29824%0.24SC..Hα-helixtrans-59.1-43.9172.3-80.5-177-145.7-151.117.9111.6S1482 S1483 M1484 A1489 A1490 E1526 F1527S1482-R1486 PolarHBondContact O-N 3.42Å; S1482-R1486 VanDerWaalsContact O-N 3.08Å; S1483-R1486 WeakPolarHBondContact O-CB 3.32Å; S1483-R1486 PolarHBondContact O-N 3.31Å; M1484-R1486 VanDerWaalsContact C-N 3.3Å; M1484-R1486 PolarHBondContact O-N 3.25Å; R1486-A1489 PolarHBondContact O-N 3.15Å; R1486-A1490 WeakPolarHBondContact O-CB 3.43Å; R1486-A1490 PolarHBondContact O-N 2.69Å; R1486-E1526 IonicContact CZ-OE1 3.77Å; R1486-E1526 IonicContact CZ-OE2 2.94Å; R1486-E1526 IonicContact NH1-OE1 3.81Å; R1486-E1526 PolarHBondContact NH1-OE1 2.88Å; R1486-E1526 IonicContact NH1-OE2 3.37Å; R1486-E1526 IonicContact NH2-OE1 2.8Å; R1486-E1526 PolarHBondContact NH2-OE1 3.12Å; R1486-E1526 IonicContact NH2-OE2 3.64Å; R1486-E1526 PolarHBondContact NH2-OE2 3.46Å; R1486-F1527 HydrophobicContact CB-CD2 4.4Å; R1486-F1527 HydrophobicContact CG-CB 4.36Å; R1486-F1527 HydrophobicContact CG-CD2 3.37Å; R1486-F1527 HydrophobicContact CG-CE2 3.97Å; R1486-F1527 HydrophobicContact CG-CG 4.14Å
1487V92.2Very high88.8Confident29 Ų2934 Ų3418%0.17622%0.219CC..Hα-helixtrans-65.8-44.3179.9179.60000111.1W1450 S1483 M1484 I1485 A1489 A1490 A1491W1450-V1487 HydrophobicContact CB-CG1 3.58Å; W1450-V1487 WeakPolarHBondContact O-CG1 3.17Å; S1483-V1487 WeakPolarHBondContact O-CG2 3.41Å; S1483-V1487 PolarHBondContact O-N 3.49Å; M1484-V1487 WeakPolarHBondContact O-CB 3.35Å; M1484-V1487 PolarHBondContact O-N 3.18Å; M1484-V1487 VanDerWaalsContact O-N 3.09Å; I1485-V1487 VanDerWaalsContact C-N 3.32Å; I1485-V1487 PolarHBondContact O-N 3.08Å; V1487-A1489 VanDerWaalsContact C-N 3.35Å; V1487-A1489 PolarHBondContact O-N 3.34Å; V1487-A1490 PolarHBondContact O-N 3.07Å; V1487-A1491 WeakPolarHBondContact O-CB 3.36Å; V1487-A1491 PolarHBondContact O-N 2.97Å
1488Y94.1Very high88.7Confident2 Ų232.3 Ų32.31%0.00820%0.204CC..Hα-helixtrans-58.4-45.2173.8-69.7-41000112.5W1450 E1479 M1484 I1485 A1491 I1492 I1508 A1509 H1512W1450-Y1488 AromaticContact CD2-CD1 3.68Å; W1450-Y1488 HydrophobicContact CD2-CD1 3.68Å; W1450-Y1488 AromaticContact CD2-CE1 3.54Å; W1450-Y1488 HydrophobicContact CD2-CE1 3.54Å; W1450-Y1488 AromaticContact CE2-CD1 3.96Å; W1450-Y1488 AromaticContact CE2-CE1 3.46Å; W1450-Y1488 VanDerWaalsContact CE2-CE1 3.46Å; W1450-Y1488 AromaticContact CE3-CD1 3.57Å; W1450-Y1488 HydrophobicContact CE3-CD1 3.57Å; W1450-Y1488 AromaticContact CE3-CE1 3.95Å; W1450-Y1488 HydrophobicContact CE3-CE1 3.95Å; W1450-Y1488 HydrophobicContact CG-CD1 4.28Å; W1450-Y1488 AromaticContact CG-CE1 3.93Å; W1450-Y1488 HydrophobicContact CG-CE1 3.93Å; W1450-Y1488 AromaticContact CH2-CD1 3.97Å; W1450-Y1488 HydrophobicContact CH2-CD1 3.97Å; W1450-Y1488 HydrophobicContact CH2-CE1 4.11Å; W1450-Y1488 HydrophobicContact CZ2-CD1 4.1Å; W1450-Y1488 AromaticContact CZ2-CE1 3.76Å; W1450-Y1488 HydrophobicContact CZ2-CE1 3.76Å; W1450-Y1488 AromaticContact CZ3-CD1 3.72Å; W1450-Y1488 HydrophobicContact CZ3-CD1 3.72Å; W1450-Y1488 HydrophobicContact CZ3-CE1 4.21Å; W1450-Y1488 AromaticContact NE1-CE1 3.8Å; E1479-Y1488 HydrophobicContact CG-CE2 4.26Å; M1484-Y1488 HydrophobicContact CE-CD1 3.97Å; M1484-Y1488 HydrophobicContact CE-CE1 3.34Å; M1484-Y1488 HydrophobicContact CE-CE2 4.08Å; M1484-Y1488 VanDerWaalsContact CE-CZ 3.4Å; M1484-Y1488 HydrophobicContact CG-CD2 4.27Å; M1484-Y1488 HydrophobicContact CG-CE2 3.69Å; M1484-Y1488 WeakPolarHBondContact O-CD2 3.42Å; M1484-Y1488 PolarHBondContact O-N 2.67Å; I1485-Y1488 HydrophobicContact CD1-CD2 4.27Å; I1485-Y1488 PolarHBondContact O-N 3.12Å; Y1488-A1491 PolarHBondContact O-N 2.75Å; Y1488-I1492 PolarHBondContact O-N 3.48Å; Y1488-I1492 VanDerWaalsContact O-N 3.13Å; Y1488-I1508 HydrophobicContact CE1-CG2 4.41Å; Y1488-A1509 HydrophobicContact CD1-CB 3.87Å; Y1488-A1509 HydrophobicContact CG-CB 4.02Å; Y1488-H1512 HydrophobicContact CD2-CB 4.11Å; Y1488-H1512 HydrophobicContact CE2-CB 4.02Å
1489A90.2Very high88.5Confident4 Ų429.8 Ų29.83%0.03319%0.189CC..Hα-helixtrans-63.9-43.2177.400000111.6I1485 R1486 V1487 A1491 L1493 L1513 F1527 F1531I1485-A1489 WeakPolarHBondContact O-CB 3.45Å; I1485-A1489 PolarHBondContact O-N 3.41Å; R1486-A1489 PolarHBondContact O-N 3.15Å; V1487-A1489 VanDerWaalsContact C-N 3.35Å; V1487-A1489 PolarHBondContact O-N 3.34Å; A1489-A1491 VanDerWaalsContact C-N 3.34Å; A1489-A1491 PolarHBondContact O-N 3.35Å; A1489-L1493 VanDerWaalsContact O-CB 3.25Å; A1489-L1493 WeakPolarHBondContact O-CB 3.38Å; A1489-L1493 VanDerWaalsContact O-CG 3.22Å; A1489-L1493 WeakPolarHBondContact O-CG 3.48Å; A1489-L1493 PolarHBondContact O-N 2.92Å; A1489-L1513 HydrophobicContact CB-CD1 4.34Å; A1489-L1513 HydrophobicContact CB-CD2 4.1Å; A1489-F1527 HydrophobicContact CB-CE2 3.99Å; A1489-F1527 HydrophobicContact CB-CZ 3.91Å; A1489-F1531 HydrophobicContact CB-CE2 4.37Å
1490A89.2Confident88Confident50 Ų5030.8 Ų30.841%0.41320%0.195SC..Hα-helixtrans-61.7-41.8176.400000111.5R1486 V1487 S1494R1486-A1490 WeakPolarHBondContact O-CB 3.43Å; R1486-A1490 PolarHBondContact O-N 2.69Å; V1487-A1490 PolarHBondContact O-N 3.07Å; A1490-S1494 WeakPolarHBondContact O-CB 3.49Å; A1490-S1494 PolarHBondContact O-N 3.38Å; A1490-S1494 PolarHBondContact O-OG 3.44Å
1491A90.1Very high87.9Confident0 Ų032 Ų320%019%0.185CC..Hα-helixtrans-63.8-45.1179.700000112.8W1450 L1457 V1487 Y1488 A1489 S1494 T1496 V1497W1450-A1491 HydrophobicContact CE3-CB 3.92Å; W1450-A1491 HydrophobicContact CZ3-CB 3.98Å; L1457-A1491 HydrophobicContact CD1-CB 4.4Å; V1487-A1491 WeakPolarHBondContact O-CB 3.36Å; V1487-A1491 PolarHBondContact O-N 2.97Å; Y1488-A1491 PolarHBondContact O-N 2.75Å; A1489-A1491 VanDerWaalsContact C-N 3.34Å; A1489-A1491 PolarHBondContact O-N 3.35Å; A1491-S1494 PolarHBondContact O-OG 3.05Å; A1491-T1496 VanDerWaalsContact CA-OG1 3.26Å; A1491-T1496 WeakPolarHBondContact CA-OG1 3.27Å; A1491-T1496 PolarHBondContact O-N 3.21Å; A1491-T1496 PolarHBondContact O-OG1 3.17Å; A1491-V1497 HydrophobicContact CB-CB 4.46Å; A1491-V1497 HydrophobicContact CB-CG2 4Å; A1491-V1497 PolarHBondContact O-N 3.42Å; A1491-V1497 VanDerWaalsContact O-N 3.14Å
1492I88.5Confident87.8Confident5 Ų529.4 Ų29.43%0.02617%0.171CC..Hα-helixtrans-69.8-47.4177-66.4169.1000111.1Y1488 S1494 G1495 F1506 A1509 V1510 I1562Y1488-I1492 PolarHBondContact O-N 3.48Å; Y1488-I1492 VanDerWaalsContact O-N 3.13Å; I1492-S1494 VanDerWaalsContact C-N 3.34Å; I1492-S1494 PolarHBondContact O-N 3.16Å; I1492-G1495 PolarHBondContact O-N 3.38Å; I1492-G1495 VanDerWaalsContact O-N 3.1Å; I1492-F1506 HydrophobicContact CG1-CD2 4.35Å; I1492-F1506 HydrophobicContact CG2-CE2 3.92Å; I1492-A1509 HydrophobicContact CD1-CB 3.36Å; I1492-A1509 HydrophobicContact CG1-CB 3.93Å; I1492-V1510 HydrophobicContact CD1-CG2 3.86Å; I1492-I1562 HydrophobicContact CG2-CD1 3.81Å; I1492-I1562 HydrophobicContact CG2-CG1 4.38Å; I1492-I1562 HydrophobicContact CG2-CG2 3.53Å
1493L85.8Confident87.7Confident39 Ų3928.2 Ų28.220%0.20416%0.163CC..Hα-helixtrans-73.2-24.3-173.7-68174.2000114A1489 G1495 F1531 K1559A1489-L1493 VanDerWaalsContact O-CB 3.25Å; A1489-L1493 WeakPolarHBondContact O-CB 3.38Å; A1489-L1493 VanDerWaalsContact O-CG 3.22Å; A1489-L1493 WeakPolarHBondContact O-CG 3.48Å; A1489-L1493 PolarHBondContact O-N 2.92Å; L1493-G1495 VanDerWaalsContact C-N 3.25Å; L1493-F1531 HydrophobicContact CD1-CE2 4.28Å; L1493-K1559 HydrophobicContact CD2-CG 4.43Å; L1493-K1559 VanDerWaalsContact O-CE 3.3Å; L1493-K1559 WeakPolarHBondContact O-CE 3.35Å
1494S85.3Confident87.6Confident74 Ų7426.2 Ų26.252%0.51715%0.148SC..THydrogen-bonded Turntrans-74.7-16.1171.356.70000112.7A1490 A1491 I1492 T1496A1490-S1494 WeakPolarHBondContact O-CB 3.49Å; A1490-S1494 PolarHBondContact O-N 3.38Å; A1490-S1494 PolarHBondContact O-OG 3.44Å; A1491-S1494 PolarHBondContact O-OG 3.05Å; I1492-S1494 VanDerWaalsContact C-N 3.34Å; I1492-S1494 PolarHBondContact O-N 3.16Å; S1494-T1496 VanDerWaalsContact C-N 3.29Å; S1494-T1496 WeakPolarHBondContact OG-CG2 3.44Å; S1494-T1496 PolarHBondContact OG-N 3.11Å; S1494-T1496 PolarHBondContact OG-OG1 3.23Å
1495G83.4Confident87.5Confident34 Ų3426.2 Ų26.235%0.35115%0.149SC..THydrogen-bonded Turntrans77.112.2-172.500000113.8I1492 L1493 Q1498I1492-G1495 PolarHBondContact O-N 3.38Å; I1492-G1495 VanDerWaalsContact O-N 3.1Å; L1493-G1495 VanDerWaalsContact C-N 3.25Å; G1495-Q1498 VanDerWaalsContact O-CG 3.25Å; G1495-Q1498 WeakPolarHBondContact O-CG 3.33Å
1496T86.2Confident87.4Confident36 Ų3626.3 Ų26.322%0.22115%0.149CC..SBendtrans-70-39.2173.653.50000111.6Q1454 N1458 A1491 S1494 Q1502Q1454-T1496 PolarHBondContact NE2-OG1 3.42Å; N1458-T1496 PolarHBondContact OD1-O 3.03Å; A1491-T1496 VanDerWaalsContact CA-OG1 3.26Å; A1491-T1496 WeakPolarHBondContact CA-OG1 3.27Å; A1491-T1496 PolarHBondContact O-N 3.21Å; A1491-T1496 PolarHBondContact O-OG1 3.17Å; S1494-T1496 VanDerWaalsContact C-N 3.29Å; S1494-T1496 WeakPolarHBondContact OG-CG2 3.44Å; S1494-T1496 PolarHBondContact OG-N 3.11Å; S1494-T1496 PolarHBondContact OG-OG1 3.23Å; T1496-Q1502 PolarHBondContact O-NE2 2.76Å; T1496-Q1502 VanDerWaalsContact O-NE2 3.12Å; T1496-Q1502 PolarHBondContact O-OE1 2.8Å
1497V89.3Confident87.2Confident2 Ų222.6 Ų22.61%0.01214%0.135CC..SBendtrans-104.5115.8171.6175.70000109.3W1450 L1457 A1491 L1505 F1506W1450-V1497 HydrophobicContact CH2-CG2 4.43Å; W1450-V1497 HydrophobicContact CZ3-CG2 3.85Å; L1457-V1497 HydrophobicContact CB-CG2 4.21Å; L1457-V1497 HydrophobicContact CD1-CG2 3.7Å; A1491-V1497 HydrophobicContact CB-CB 4.46Å; A1491-V1497 HydrophobicContact CB-CG2 4Å; A1491-V1497 PolarHBondContact O-N 3.42Å; A1491-V1497 VanDerWaalsContact O-N 3.14Å; V1497-L1505 HydrophobicContact CG1-CB 3.91Å; V1497-F1506 HydrophobicContact CG1-CB 3.94Å; V1497-F1506 HydrophobicContact CG1-CD2 4.38Å
1498Q85.7Confident87.2Confident35 Ų3521.5 Ų21.516%0.16413%0.128CC..  trans-119.6144-178-55-174.7-54.400110.2G1495 T1500 R1501 Q1502 D1556G1495-Q1498 VanDerWaalsContact O-CG 3.25Å; G1495-Q1498 WeakPolarHBondContact O-CG 3.33Å; Q1498-T1500 PolarHBondContact O-N 3.3Å; Q1498-R1501 HydrophobicContact CB-CB 4.36Å; Q1498-R1501 HydrophobicContact CB-CG 4.45Å; Q1498-R1501 PolarHBondContact O-N 2.78Å; Q1498-R1501 VanDerWaalsContact OE1-NE 3.16Å; Q1498-Q1502 CarbonylContact O-C 3.52Å; Q1498-Q1502 PolarHBondContact O-N 3.12Å; Q1498-Q1502 PolarHBondContact O-OE1 2.87Å; Q1498-D1556 VanDerWaalsContact NE2-CG 3.34Å; Q1498-D1556 PolarHBondContact NE2-OD2 3.24Å
1499I82.5Confident87.1Confident0 Ų021.4 Ų21.40%013%0.128CC..THydrogen-bonded Turntrans-62.4-30.4179.7-165.5165.8000113F1506 F1621 A1624 I1625 A1628 I1630I1499-F1506 HydrophobicContact CB-CD1 3.82Å; I1499-F1506 HydrophobicContact CB-CD2 4.13Å; I1499-F1506 HydrophobicContact CB-CE1 3.98Å; I1499-F1506 HydrophobicContact CB-CE2 4.28Å; I1499-F1506 HydrophobicContact CB-CG 3.9Å; I1499-F1506 HydrophobicContact CB-CZ 4.21Å; I1499-F1506 HydrophobicContact CD1-CD1 3.86Å; I1499-F1506 HydrophobicContact CD1-CE1 3.73Å; I1499-F1506 HydrophobicContact CG1-CD1 3.83Å; I1499-F1506 HydrophobicContact CG1-CE1 4.11Å; I1499-F1506 HydrophobicContact CG1-CG 4.28Å; I1499-F1621 HydrophobicContact CG2-CD2 4.23Å; I1499-F1621 HydrophobicContact CG2-CE2 4.09Å; I1499-A1624 HydrophobicContact CD1-CB 4.48Å; I1499-A1624 HydrophobicContact CG2-CB 3.9Å; I1499-I1625 HydrophobicContact CD1-CB 4.3Å; I1499-I1625 HydrophobicContact CD1-CG1 3.74Å; I1499-A1628 HydrophobicContact CD1-CB 3.83Å; I1499-A1628 HydrophobicContact CG1-CB 3.84Å; I1499-I1630 HydrophobicContact CD1-CD1 4.05Å
1500T78.9Confident87.2Confident28 Ų2821.2 Ų21.217%0.17213%0.126CC..THydrogen-bonded Turntrans-75.6-28.6179.154.40000113.3Q1498 V1555 D1556Q1498-T1500 PolarHBondContact O-N 3.3Å; T1500-V1555 HydrophobicContact CG2-CB 3.93Å; T1500-V1555 HydrophobicContact CG2-CG1 3.35Å; T1500-D1556 WeakPolarHBondContact CB-OD1 3.47Å; T1500-D1556 VanDerWaalsContact CG2-OD1 3.22Å; T1500-D1556 WeakPolarHBondContact CG2-OD1 3.47Å; T1500-D1556 PolarHBondContact OG1-OD1 2.86Å
1501R81.7Confident87.4Confident124 Ų12419 Ų1947%0.46811%0.107SC..THydrogen-bonded Turntrans-102.6-42.8-174.5-64.4-168.6179-163.9-2.4113.3Q1498Q1498-R1501 HydrophobicContact CB-CB 4.36Å; Q1498-R1501 HydrophobicContact CB-CG 4.45Å; Q1498-R1501 PolarHBondContact O-N 2.78Å; Q1498-R1501 VanDerWaalsContact OE1-NE 3.16Å
1502Q87.9Confident87.6Confident1 Ų119 Ų191%0.00511%0.107CC..  trans-132.270.7-179.3-46.4103.6-27.200110.7L1457 L1460 T1496 Q1498 L1504 L1505 F1506L1457-Q1502 WeakPolarHBondContact O-CG 3.22Å; L1457-Q1502 PolarHBondContact O-NE2 3.08Å; L1460-Q1502 WeakPolarHBondContact O-CG 3.46Å; T1496-Q1502 PolarHBondContact O-NE2 2.76Å; T1496-Q1502 VanDerWaalsContact O-NE2 3.12Å; T1496-Q1502 PolarHBondContact O-OE1 2.8Å; Q1498-Q1502 CarbonylContact O-C 3.52Å; Q1498-Q1502 PolarHBondContact O-N 3.12Å; Q1498-Q1502 PolarHBondContact O-OE1 2.87Å; Q1502-L1504 VanDerWaalsContact C-N 3.29Å; Q1502-L1504 PolarHBondContact O-N 2.89Å; Q1502-L1505 HydrophobicContact CB-CB 3.97Å; Q1502-L1505 HydrophobicContact CB-CD1 3.96Å; Q1502-L1505 HydrophobicContact CB-CG 4.15Å; Q1502-L1505 HydrophobicContact CG-CD1 4.15Å; Q1502-L1505 PolarHBondContact O-N 3.1Å; Q1502-F1506 WeakPolarHBondContact O-CB 3.46Å; Q1502-F1506 PolarHBondContact O-N 3.18Å
1503P84.1Confident87.8Confident7 Ų718.9 Ų18.95%0.04511%0.107CC..Hα-helixtrans-59.5-37.3-175.622.8-33.3000113V1463 L1507 I1615 A1628V1463-P1503 HydrophobicContact CG2-CG 4.07Å; P1503-L1507 WeakPolarHBondContact O-CB 3.4Å; P1503-L1507 PolarHBondContact O-N 3.45Å; P1503-I1615 HydrophobicContact CB-CD1 4.1Å; P1503-I1615 HydrophobicContact CG-CD1 4.13Å; P1503-A1628 HydrophobicContact CB-CB 4.23Å
1504L87Confident88Confident1 Ų117 Ų171%0.00510%0.097CC..Hα-helixtrans-62.8-53.2176.9173.466.2000111.8L1434 I1462 L1464 L1467 L1471 Q1502 F1506 L1507 I1508L1434-L1504 HydrophobicContact CD1-CD2 4.06Å; I1462-L1504 HydrophobicContact CG2-CB 4.26Å; I1462-L1504 HydrophobicContact CG2-CD2 3.5Å; I1462-L1504 HydrophobicContact CG2-CG 4.48Å; L1464-L1504 HydrophobicContact CD2-CD1 3.7Å; L1467-L1504 HydrophobicContact CD1-CD2 3.73Å; L1467-L1504 HydrophobicContact CD2-CD1 4.01Å; L1467-L1504 HydrophobicContact CD2-CD2 4.26Å; L1467-L1504 HydrophobicContact CG-CD2 4.46Å; L1471-L1504 HydrophobicContact CD1-CD1 3.64Å; Q1502-L1504 VanDerWaalsContact C-N 3.29Å; Q1502-L1504 PolarHBondContact O-N 2.89Å; L1504-F1506 VanDerWaalsContact C-N 3.31Å; L1504-F1506 PolarHBondContact O-N 2.91Å; L1504-L1507 WeakPolarHBondContact O-CB 3.35Å; L1504-L1507 PolarHBondContact O-N 3.49Å; L1504-I1508 HydrophobicContact CD1-CD1 4.04Å; L1504-I1508 HydrophobicContact CD1-CG1 4.35Å; L1504-I1508 HydrophobicContact CG-CD1 3.99Å; L1504-I1508 WeakPolarHBondContact O-CG1 3.36Å; L1504-I1508 PolarHBondContact O-N 2.54Å
1505L90.8Very high88.3Confident1 Ų117.4 Ų17.41%0.0059%0.087CC..Hα-helixtrans-61.1-44.8-179.5-63.5-177.4000110.1L1434 W1450 L1457 L1460 V1497 Q1502 L1507 I1508 A1509L1434-L1505 HydrophobicContact CD2-CD2 4.32Å; W1450-L1505 HydrophobicContact CH2-CB 3.65Å; W1450-L1505 HydrophobicContact CH2-CD2 4.23Å; W1450-L1505 HydrophobicContact CH2-CG 4.42Å; W1450-L1505 WeakPolarHBondContact CH2-O 3.28Å; W1450-L1505 HydrophobicContact CZ2-CB 3.93Å; W1450-L1505 HydrophobicContact CZ2-CD2 3.6Å; W1450-L1505 HydrophobicContact CZ2-CG 4.27Å; L1457-L1505 HydrophobicContact CB-CD1 4.25Å; L1457-L1505 HydrophobicContact CD2-CD1 4.01Å; L1460-L1505 HydrophobicContact CB-CD1 4.03Å; V1497-L1505 HydrophobicContact CG1-CB 3.91Å; Q1502-L1505 HydrophobicContact CB-CB 3.97Å; Q1502-L1505 HydrophobicContact CB-CD1 3.96Å; Q1502-L1505 HydrophobicContact CB-CG 4.15Å; Q1502-L1505 HydrophobicContact CG-CD1 4.15Å; Q1502-L1505 PolarHBondContact O-N 3.1Å; L1505-L1507 VanDerWaalsContact C-N 3.31Å; L1505-L1507 PolarHBondContact O-N 3.43Å; L1505-I1508 PolarHBondContact O-N 3.34Å; L1505-A1509 PolarHBondContact O-N 3.38Å
1506F90.3Very high88.6Confident1 Ų116.2 Ų16.20%0.0047%0.072CC..Hα-helixtrans-56.1-45.9176.1-172.5-89.9000111.6I1492 V1497 I1499 Q1502 L1504 A1509 V1510 L1565 F1621 I1630I1492-F1506 HydrophobicContact CG1-CD2 4.35Å; I1492-F1506 HydrophobicContact CG2-CE2 3.92Å; V1497-F1506 HydrophobicContact CG1-CB 3.94Å; V1497-F1506 HydrophobicContact CG1-CD2 4.38Å; I1499-F1506 HydrophobicContact CB-CD1 3.82Å; I1499-F1506 HydrophobicContact CB-CD2 4.13Å; I1499-F1506 HydrophobicContact CB-CE1 3.98Å; I1499-F1506 HydrophobicContact CB-CE2 4.28Å; I1499-F1506 HydrophobicContact CB-CG 3.9Å; I1499-F1506 HydrophobicContact CB-CZ 4.21Å; I1499-F1506 HydrophobicContact CD1-CD1 3.86Å; I1499-F1506 HydrophobicContact CD1-CE1 3.73Å; I1499-F1506 HydrophobicContact CG1-CD1 3.83Å; I1499-F1506 HydrophobicContact CG1-CE1 4.11Å; I1499-F1506 HydrophobicContact CG1-CG 4.28Å; Q1502-F1506 WeakPolarHBondContact O-CB 3.46Å; Q1502-F1506 PolarHBondContact O-N 3.18Å; L1504-F1506 VanDerWaalsContact C-N 3.31Å; L1504-F1506 PolarHBondContact O-N 2.91Å; F1506-A1509 PolarHBondContact O-N 2.96Å; F1506-V1510 HydrophobicContact CD1-CG2 3.93Å; F1506-V1510 HydrophobicContact CE1-CG2 3.6Å; F1506-V1510 HydrophobicContact CZ-CG2 3.92Å; F1506-V1510 WeakPolarHBondContact O-CB 3.47Å; F1506-V1510 VanDerWaalsContact O-CG2 3.26Å; F1506-V1510 WeakPolarHBondContact O-CG2 3.38Å; F1506-V1510 PolarHBondContact O-N 3.04Å; F1506-L1565 HydrophobicContact CE1-CD2 3.56Å; F1506-L1565 HydrophobicContact CZ-CD2 3.83Å; F1506-F1621 HydrophobicContact CZ-CE2 4.3Å; F1506-F1621 HydrophobicContact CZ-CZ 4.22Å; F1506-I1630 HydrophobicContact CD1-CD1 4.18Å; F1506-I1630 HydrophobicContact CE1-CD1 4.33Å
1507L89Confident88.7Confident1 Ų114.5 Ų14.51%0.0056%0.061CC..Hα-helixtrans-61.5-45.7176168.263000112.7L1464 L1471 P1503 L1504 L1505 A1509 V1510 H1511 Y1569 P1572 I1630L1464-L1507 HydrophobicContact CD1-CD2 4.4Å; L1464-L1507 HydrophobicContact CD2-CD2 4.23Å; L1471-L1507 HydrophobicContact CD1-CD2 4.25Å; L1471-L1507 HydrophobicContact CD2-CD2 3.96Å; P1503-L1507 WeakPolarHBondContact O-CB 3.4Å; P1503-L1507 PolarHBondContact O-N 3.45Å; L1504-L1507 WeakPolarHBondContact O-CB 3.35Å; L1504-L1507 PolarHBondContact O-N 3.49Å; L1505-L1507 VanDerWaalsContact C-N 3.31Å; L1505-L1507 PolarHBondContact O-N 3.43Å; L1507-A1509 PolarHBondContact O-N 3.23Å; L1507-V1510 PolarHBondContact O-N 3.02Å; L1507-H1511 VanDerWaalsContact O-CB 3.23Å; L1507-H1511 WeakPolarHBondContact O-CB 3.4Å; L1507-H1511 PolarHBondContact O-N 2.99Å; L1507-Y1569 HydrophobicContact CD1-CE2 4.06Å; L1507-P1572 HydrophobicContact CD1-CB 3.95Å; L1507-P1572 HydrophobicContact CD2-CB 4.02Å; L1507-I1630 HydrophobicContact CD1-CD1 4.44Å; L1507-I1630 HydrophobicContact CD1-CG1 4.02Å
1508I91.6Very high88.5Confident6 Ų615.5 Ų15.53%0.0317%0.065CC..Hα-helixtrans-58-50.7178.3-69.1167.9000110.1W1450 F1474 L1475 Y1488 L1504 L1505 H1511 H1512W1450-I1508 HydrophobicContact CZ2-CG2 4.41Å; F1474-I1508 HydrophobicContact CB-CD1 3.96Å; F1474-I1508 HydrophobicContact CB-CG1 4.17Å; F1474-I1508 HydrophobicContact CD1-CD1 4.39Å; F1474-I1508 HydrophobicContact CG-CD1 4.19Å; L1475-I1508 HydrophobicContact CD2-CG1 4.17Å; Y1488-I1508 HydrophobicContact CE1-CG2 4.41Å; L1504-I1508 HydrophobicContact CD1-CD1 4.04Å; L1504-I1508 HydrophobicContact CD1-CG1 4.35Å; L1504-I1508 HydrophobicContact CG-CD1 3.99Å; L1504-I1508 WeakPolarHBondContact O-CG1 3.36Å; L1504-I1508 PolarHBondContact O-N 2.54Å; L1505-I1508 PolarHBondContact O-N 3.34Å; I1508-H1511 PolarHBondContact O-N 3.47Å; I1508-H1512 PolarHBondContact O-CD2 3.44Å; I1508-H1512 PolarHBondContact O-N 3.19Å; I1508-H1512 VanDerWaalsContact O-N 3.09Å
1509A92.7Very high88.5Confident0 Ų016.9 Ų16.90%07%0.074CC..Hα-helixtrans-66.6-42-177.500000112.2W1450 Y1488 I1492 L1505 F1506 L1507 L1513W1450-A1509 HydrophobicContact CH2-CB 3.81Å; W1450-A1509 HydrophobicContact CZ3-CB 3.94Å; Y1488-A1509 HydrophobicContact CD1-CB 3.87Å; Y1488-A1509 HydrophobicContact CG-CB 4.02Å; I1492-A1509 HydrophobicContact CD1-CB 3.36Å; I1492-A1509 HydrophobicContact CG1-CB 3.93Å; L1505-A1509 PolarHBondContact O-N 3.38Å; F1506-A1509 PolarHBondContact O-N 2.96Å; L1507-A1509 PolarHBondContact O-N 3.23Å; A1509-L1513 WeakPolarHBondContact O-CB 3.09Å; A1509-L1513 PolarHBondContact O-N 3.15Å
1510V91.5Very high88.4Confident0 Ų023.9 Ų23.90%010%0.104CC..Hα-helixtrans-62.6-42.8174.4168.40000111.4I1492 F1506 L1507 N1514 L1565 L1566 Y1569I1492-V1510 HydrophobicContact CD1-CG2 3.86Å; F1506-V1510 HydrophobicContact CD1-CG2 3.93Å; F1506-V1510 HydrophobicContact CE1-CG2 3.6Å; F1506-V1510 HydrophobicContact CZ-CG2 3.92Å; F1506-V1510 WeakPolarHBondContact O-CB 3.47Å; F1506-V1510 VanDerWaalsContact O-CG2 3.26Å; F1506-V1510 WeakPolarHBondContact O-CG2 3.38Å; F1506-V1510 PolarHBondContact O-N 3.04Å; L1507-V1510 PolarHBondContact O-N 3.02Å; V1510-N1514 WeakPolarHBondContact O-CB 3.15Å; V1510-N1514 PolarHBondContact O-N 3.37Å; V1510-L1565 HydrophobicContact CG1-CD2 4.43Å; V1510-L1565 HydrophobicContact CG1-CG 4.48Å; V1510-L1565 HydrophobicContact CG2-CD2 4.26Å; V1510-L1566 HydrophobicContact CG1-CD2 4.1Å; V1510-Y1569 HydrophobicContact CG1-CD2 3.44Å; V1510-Y1569 VanDerWaalsContact CG1-CD2 3.44Å; V1510-Y1569 HydrophobicContact CG1-CE2 3.83Å; V1510-Y1569 HydrophobicContact CG1-CG 3.87Å
1511H93.1Very high88.6Confident4 Ų429 Ų292%0.01913%0.131CC..Hα-helixtrans-59.3-56179.7-17894.2000111.2L1475 L1507 I1508 N1514 R1515 Y1569L1475-H1511 HydrophobicContact CD2-CB 3.81Å; L1507-H1511 VanDerWaalsContact O-CB 3.23Å; L1507-H1511 WeakPolarHBondContact O-CB 3.4Å; L1507-H1511 PolarHBondContact O-N 2.99Å; I1508-H1511 PolarHBondContact O-N 3.47Å; H1511-N1514 PolarHBondContact O-N 3.2Å; H1511-R1515 VanDerWaalsContact O-CG 3.25Å; H1511-R1515 WeakPolarHBondContact O-CG 3.48Å; H1511-R1515 PolarHBondContact O-N 3.16Å; H1511-Y1569 HydrophobicContact CB-CE1 4.36Å; H1511-Y1569 WeakPolarHBondContact CB-OH 3.37Å; H1511-Y1569 AromaticContact ND1-CE1 3.87Å; H1511-Y1569 AromaticContact ND1-CZ 3.78Å; H1511-Y1569 PolarHBondContact ND1-OH 2.92Å
1512H94.6Very high88.7Confident0 Ų024.6 Ų24.60%012%0.116CC..Hα-helixtrans-65.4-42.2-177.6-73.1-57.5000112.3Q1439 F1474 L1475 E1479 I1485 Y1488 I1508 N1514 R1515 Y1516Q1439-H1512 PolarHBondContact NE2-CE1 3.35Å; Q1439-H1512 PolarHBondContact NE2-NE2 2.98Å; F1474-H1512 PolarHBondContact O-NE2 2.81Å; L1475-H1512 PolarHBondContact O-CE1 3.2Å; E1479-H1512 HydrophobicContact CB-CB 4.05Å; E1479-H1512 WeakPolarHBondContact CB-ND1 3.39Å; E1479-H1512 PolarHBondContact N-ND1 3.38Å; I1485-H1512 HydrophobicContact CD1-CB 3.91Å; Y1488-H1512 HydrophobicContact CD2-CB 4.11Å; Y1488-H1512 HydrophobicContact CE2-CB 4.02Å; I1508-H1512 PolarHBondContact O-CD2 3.44Å; I1508-H1512 PolarHBondContact O-N 3.19Å; I1508-H1512 VanDerWaalsContact O-N 3.09Å; H1512-N1514 PolarHBondContact O-N 3.3Å; H1512-R1515 PolarHBondContact O-N 3.27Å; H1512-Y1516 VanDerWaalsContact O-CB 3.24Å; H1512-Y1516 WeakPolarHBondContact O-CB 3.4Å; H1512-Y1516 PolarHBondContact O-N 3.4Å
1513L92Very high88.4Confident3 Ų326.2 Ų26.22%0.01612%0.122CC..Hα-helixtrans-62.9-43.8177-178.357.5000111.8I1485 A1489 A1509 L1517 F1527 F1531 L1566I1485-L1513 HydrophobicContact CG2-CD1 3.75Å; A1489-L1513 HydrophobicContact CB-CD1 4.34Å; A1489-L1513 HydrophobicContact CB-CD2 4.1Å; A1509-L1513 WeakPolarHBondContact O-CB 3.09Å; A1509-L1513 PolarHBondContact O-N 3.15Å; L1513-L1517 HydrophobicContact CD1-CD1 3.92Å; L1513-L1517 HydrophobicContact CD1-CG 4.1Å; L1513-L1517 HydrophobicContact CG-CD1 4.06Å; L1513-L1517 WeakPolarHBondContact O-CB 3.07Å; L1513-L1517 VanDerWaalsContact O-CG 3.27Å; L1513-L1517 WeakPolarHBondContact O-CG 3.17Å; L1513-L1517 PolarHBondContact O-N 3.26Å; L1513-F1527 HydrophobicContact CD1-CE1 3.58Å; L1513-F1527 HydrophobicContact CD1-CZ 3.48Å; L1513-F1527 VanDerWaalsContact CD1-CZ 3.48Å; L1513-F1531 HydrophobicContact CD1-CE2 4.37Å; L1513-F1531 HydrophobicContact CD2-CE2 4.08Å; L1513-F1531 HydrophobicContact CD2-CZ 4.22Å; L1513-L1566 HydrophobicContact CB-CD2 4.11Å; L1513-L1566 HydrophobicContact CD2-CD1 3.57Å; L1513-L1566 HydrophobicContact CD2-CD2 3.93Å; L1513-L1566 HydrophobicContact CD2-CG 4.41Å; L1513-L1566 HydrophobicContact CG-CD1 4.14Å; L1513-L1566 HydrophobicContact CG-CD2 3.94Å
1514N91.2Very high88.1Confident0 Ų031.2 Ų31.20%015%0.149CC..Hα-helixtrans-60-51.9175.4176.7-95.1000111.4V1510 H1511 H1512 Y1516 L1517 Y1518 L1566 Y1569 R1642V1510-N1514 WeakPolarHBondContact O-CB 3.15Å; V1510-N1514 PolarHBondContact O-N 3.37Å; H1511-N1514 PolarHBondContact O-N 3.2Å; H1512-N1514 PolarHBondContact O-N 3.3Å; N1514-Y1516 VanDerWaalsContact C-N 3.34Å; N1514-Y1516 PolarHBondContact O-N 3.43Å; N1514-L1517 PolarHBondContact O-N 2.77Å; N1514-Y1518 VanDerWaalsContact ND2-CD2 3.35Å; N1514-Y1518 WeakPolarHBondContact ND2-CD2 3.35Å; N1514-Y1518 WeakPolarHBondContact ND2-CE2 3.19Å; N1514-Y1518 VanDerWaalsContact O-CD2 3.31Å; N1514-Y1518 WeakPolarHBondContact O-CD2 3.27Å; N1514-Y1518 PolarHBondContact O-N 3.16Å; N1514-Y1518 VanDerWaalsContact O-N 3.08Å; N1514-L1566 HydrophobicContact CB-CD2 4.32Å; N1514-L1566 PolarHBondContact ND2-O 3.29Å; N1514-Y1569 HydrophobicContact CB-CD1 3.72Å; N1514-Y1569 HydrophobicContact CB-CE1 4.37Å; N1514-Y1569 HydrophobicContact CB-CG 4.32Å; N1514-R1642 PolarHBondContact ND2-NH1 3.14Å; N1514-R1642 PolarHBondContact OD1-NH2 3.27Å
1515R90.7Very high88Confident82 Ų8232.3 Ų32.331%0.30916%0.156SC..Hα-helixtrans-64.2-39.7-177.1-65.1-67.4-178.1-159.2-8.9111.8V1478 H1511 H1512 N1519 K1570V1478-R1515 HydrophobicContact CB-CB 4.43Å; V1478-R1515 HydrophobicContact CG1-CB 3.43Å; V1478-R1515 VanDerWaalsContact CG1-CB 3.43Å; V1478-R1515 HydrophobicContact CG1-CG 4.25Å; V1478-R1515 HydrophobicContact CG2-CB 4.08Å; V1478-R1515 HydrophobicContact CG2-CG 4.07Å; H1511-R1515 VanDerWaalsContact O-CG 3.25Å; H1511-R1515 WeakPolarHBondContact O-CG 3.48Å; H1511-R1515 PolarHBondContact O-N 3.16Å; H1512-R1515 PolarHBondContact O-N 3.27Å; R1515-N1519 WeakPolarHBondContact O-CB 3.22Å; R1515-N1519 PolarHBondContact O-N 2.84Å; R1515-K1570 PolarHBondContact NH2-O 2.92Å
1516Y90.2Very high87.7Confident8 Ų837.3 Ų37.33%0.03118%0.18CC..Hα-helixtrans-64.1-46.3177.5-174.7-82.9000112.3S1482 I1485 H1512 N1514 N1519 N1522 S1525 F1527S1482-Y1516 WeakPolarHBondContact CB-OH 3.48Å; S1482-Y1516 PolarHBondContact OG-OH 2.91Å; I1485-Y1516 HydrophobicContact CB-CG 4.43Å; I1485-Y1516 HydrophobicContact CD1-CD2 4.13Å; I1485-Y1516 HydrophobicContact CD1-CG 4.11Å; I1485-Y1516 HydrophobicContact CG1-CD1 4.48Å; I1485-Y1516 HydrophobicContact CG1-CD2 3.6Å; I1485-Y1516 HydrophobicContact CG1-CE2 4.11Å; I1485-Y1516 HydrophobicContact CG1-CG 3.8Å; I1485-Y1516 HydrophobicContact CG2-CD1 4.02Å; I1485-Y1516 HydrophobicContact CG2-CG 4.05Å; H1512-Y1516 VanDerWaalsContact O-CB 3.24Å; H1512-Y1516 WeakPolarHBondContact O-CB 3.4Å; H1512-Y1516 PolarHBondContact O-N 3.4Å; N1514-Y1516 VanDerWaalsContact C-N 3.34Å; N1514-Y1516 PolarHBondContact O-N 3.43Å; Y1516-N1519 PolarHBondContact O-N 2.89Å; Y1516-N1522 HydrophobicContact CD1-CB 4.17Å; Y1516-N1522 WeakPolarHBondContact CD2-ND2 3.5Å; Y1516-N1522 HydrophobicContact CE1-CB 3.78Å; Y1516-N1522 HydrophobicContact CE2-CB 4.45Å; Y1516-N1522 VanDerWaalsContact CE2-ND2 3.32Å; Y1516-N1522 WeakPolarHBondContact CE2-ND2 3.43Å; Y1516-N1522 WeakPolarHBondContact O-CB 3.45Å; Y1516-N1522 PolarHBondContact O-ND2 3.2Å; Y1516-N1522 VanDerWaalsContact O-ND2 3.12Å; Y1516-S1525 WeakPolarHBondContact OH-CB 3.49Å; Y1516-S1525 PolarHBondContact OH-OG 3.49Å; Y1516-F1527 AromaticContact CD1-CD1 4Å; Y1516-F1527 HydrophobicContact CD1-CD1 4Å; Y1516-F1527 HydrophobicContact CD1-CE1 4.32Å; Y1516-F1527 AromaticContact CE1-CD1 3.73Å; Y1516-F1527 HydrophobicContact CE1-CD1 3.73Å; Y1516-F1527 HydrophobicContact CE1-CE1 4.49Å
1517L87.2Confident87.5Confident0 Ų037.7 Ų37.70%018%0.181CC..Hα-helixtrans-64.2-48.7-179.7-73.1171.5000111.4L1513 N1514 N1519 F1527 T1528 F1531 Y1645L1513-L1517 HydrophobicContact CD1-CD1 3.92Å; L1513-L1517 HydrophobicContact CD1-CG 4.1Å; L1513-L1517 HydrophobicContact CG-CD1 4.06Å; L1513-L1517 WeakPolarHBondContact O-CB 3.07Å; L1513-L1517 VanDerWaalsContact O-CG 3.27Å; L1513-L1517 WeakPolarHBondContact O-CG 3.17Å; L1513-L1517 PolarHBondContact O-N 3.26Å; N1514-L1517 PolarHBondContact O-N 2.77Å; L1517-N1519 PolarHBondContact O-N 3.14Å; L1517-F1527 HydrophobicContact CD2-CE1 4.02Å; L1517-T1528 HydrophobicContact CD2-CG2 4.12Å; L1517-F1531 HydrophobicContact CD1-CD1 3.91Å; L1517-F1531 HydrophobicContact CD1-CE1 3.65Å; L1517-F1531 HydrophobicContact CD1-CZ 4.17Å; L1517-F1531 HydrophobicContact CD2-CD1 4.01Å; L1517-F1531 HydrophobicContact CD2-CG 4.33Å; L1517-Y1645 WeakPolarHBondContact O-CE2 3.36Å; L1517-Y1645 PolarHBondContact O-OH 3.14Å
1518Y86.3Confident87.4Confident23 Ų2337.6 Ų37.69%0.0918%0.181CC..Hα-helixtrans-76.7-2.9-176.9-75.7-75.2000114.1N1514 R1567 R1642 Y1645 W1646N1514-Y1518 VanDerWaalsContact ND2-CD2 3.35Å; N1514-Y1518 WeakPolarHBondContact ND2-CD2 3.35Å; N1514-Y1518 WeakPolarHBondContact ND2-CE2 3.19Å; N1514-Y1518 VanDerWaalsContact O-CD2 3.31Å; N1514-Y1518 WeakPolarHBondContact O-CD2 3.27Å; N1514-Y1518 PolarHBondContact O-N 3.16Å; N1514-Y1518 VanDerWaalsContact O-N 3.08Å; Y1518-R1567 WeakPolarHBondContact OH-CA 3.49Å; Y1518-R1642 HydrophobicContact CD1-CB 4.49Å; Y1518-R1642 HydrophobicContact CD1-CG 3.9Å; Y1518-R1642 HydrophobicContact CE1-CB 3.84Å; Y1518-R1642 HydrophobicContact CE1-CG 3.69Å; Y1518-Y1645 HydrophobicContact CD1-CD1 4.12Å; Y1518-Y1645 AromaticContact CD1-CD2 3.67Å; Y1518-Y1645 HydrophobicContact CD1-CD2 3.67Å; Y1518-Y1645 HydrophobicContact CD1-CE2 4.07Å; Y1518-Y1645 AromaticContact CD1-CG 3.7Å; Y1518-Y1645 HydrophobicContact CD1-CG 3.7Å; Y1518-Y1645 AromaticContact CE1-CD1 3.59Å; Y1518-Y1645 HydrophobicContact CE1-CD1 3.59Å; Y1518-Y1645 AromaticContact CE1-CD2 3.92Å; Y1518-Y1645 HydrophobicContact CE1-CD2 3.92Å; Y1518-Y1645 HydrophobicContact CE1-CE1 4.25Å; Y1518-Y1645 HydrophobicContact CE1-CE2 4.49Å; Y1518-Y1645 AromaticContact CE1-CG 3.42Å; Y1518-Y1645 HydrophobicContact CE1-CG 3.42Å; Y1518-Y1645 VanDerWaalsContact CE1-CG 3.42Å; Y1518-W1646 PolarHBondContact OH-NE1 2.67Å
1519N86Confident86.9Confident65 Ų6540.3 Ų40.335%0.34819%0.194SC..  trans-75.5126.4169.8-170.74000110.8R1515 Y1516 L1517 D1521 N1522 W1523R1515-N1519 WeakPolarHBondContact O-CB 3.22Å; R1515-N1519 PolarHBondContact O-N 2.84Å; Y1516-N1519 PolarHBondContact O-N 2.89Å; L1517-N1519 PolarHBondContact O-N 3.14Å; N1519-D1521 PolarHBondContact O-N 3.09Å; N1519-D1521 PolarHBondContact OD1-N 3.11Å; N1519-D1521 PolarHBondContact OD1-OD2 2.65Å; N1519-N1522 PolarHBondContact O-N 3.22Å; N1519-W1523 PolarHBondContact O-NE1 3.04Å
1520K79.8Confident86.5Confident146 Ų14643.8 Ų43.864%0.63521%0.21SC*.G310 helixtrans-60.7-32.9-177.7-70.7-172.6176.1-179.80113.3N1522 W1523K1520-N1522 PolarHBondContact O-N 3.35Å; K1520-W1523 HydrophobicContact CD-CZ2 4.49Å; K1520-W1523 HydrophobicContact CG-CH2 4.36Å; K1520-W1523 HydrophobicContact CG-CZ2 3.74Å; K1520-W1523 PolarHBondContact O-N 3.04Å
1521D82.5Confident86.2Confident136 Ų13643.9 Ų43.973%0.72721%0.21SC*.G310 helixtrans-67.6-27.7-177.5-53.8-30.7000111.7N1519N1519-D1521 PolarHBondContact O-N 3.09Å; N1519-D1521 PolarHBondContact OD1-N 3.11Å; N1519-D1521 PolarHBondContact OD1-OD2 2.65Å
1522N84.8Confident85.6Confident31 Ų3143.8 Ų43.817%0.16621%0.21CC..G310 helixtrans-91.90.5-175.1-66-24.5000114.2Y1516 N1519 K1520 N1524 S1525 T1528Y1516-N1522 HydrophobicContact CD1-CB 4.17Å; Y1516-N1522 WeakPolarHBondContact CD2-ND2 3.5Å; Y1516-N1522 HydrophobicContact CE1-CB 3.78Å; Y1516-N1522 HydrophobicContact CE2-CB 4.45Å; Y1516-N1522 VanDerWaalsContact CE2-ND2 3.32Å; Y1516-N1522 WeakPolarHBondContact CE2-ND2 3.43Å; Y1516-N1522 WeakPolarHBondContact O-CB 3.45Å; Y1516-N1522 PolarHBondContact O-ND2 3.2Å; Y1516-N1522 VanDerWaalsContact O-ND2 3.12Å; N1519-N1522 PolarHBondContact O-N 3.22Å; K1520-N1522 PolarHBondContact O-N 3.35Å; N1522-N1524 PolarHBondContact O-N 3.43Å; N1522-S1525 WeakPolarHBondContact O-CB 3.27Å; N1522-S1525 PolarHBondContact O-N 3.37Å; N1522-S1525 PolarHBondContact O-OG 2.74Å; N1522-T1528 WeakPolarHBondContact O-CB 3.15Å; N1522-T1528 PolarHBondContact O-OG1 3.19Å
1523W80.7Confident84.9Confident35 Ų3551 Ų5113%0.13324%0.237CC..THydrogen-bonded Turntrans-59.4-35.6-175.4-73.78.9000113N1519 K1520 Y1645 E1648 L1649N1519-W1523 PolarHBondContact O-NE1 3.04Å; K1520-W1523 HydrophobicContact CD-CZ2 4.49Å; K1520-W1523 HydrophobicContact CG-CH2 4.36Å; K1520-W1523 HydrophobicContact CG-CZ2 3.74Å; K1520-W1523 PolarHBondContact O-N 3.04Å; W1523-Y1645 AromaticContact CD1-CE2 3.92Å; W1523-Y1645 HydrophobicContact CZ2-CD2 4.19Å; W1523-Y1645 HydrophobicContact CZ2-CE2 4.47Å; W1523-Y1645 AromaticContact NE1-CD2 3.92Å; W1523-Y1645 AromaticContact NE1-CE2 3.37Å; W1523-E1648 WeakPolarHBondContact CH2-OE2 3.42Å; W1523-L1649 HydrophobicContact CG-CD1 4.47Å
1524N78.5Confident84.2Confident112 Ų11254.8 Ų54.860%0.59926%0.257SS*.THydrogen-bonded Turntrans-91.71.2179.8-66.7-21000113.2N1522 Q1529N1522-N1524 PolarHBondContact O-N 3.43Å; N1524-Q1529 PolarHBondContact O-NE2 3.3Å
1525S85.3Confident83.5Confident24 Ų2454.9 Ų54.917%0.16826%0.258CS..SBendtrans-65.7145.5179.874.90000111.1Y1516 N1522 F1527 T1528 Q1529Y1516-S1525 WeakPolarHBondContact OH-CB 3.49Å; Y1516-S1525 PolarHBondContact OH-OG 3.49Å; N1522-S1525 WeakPolarHBondContact O-CB 3.27Å; N1522-S1525 PolarHBondContact O-N 3.37Å; N1522-S1525 PolarHBondContact O-OG 2.74Å; S1525-F1527 PolarHBondContact O-N 3Å; S1525-T1528 PolarHBondContact O-N 3.26Å; S1525-T1528 VanDerWaalsContact O-N 3.09Å; S1525-T1528 PolarHBondContact OG-N 3.35Å; S1525-T1528 PolarHBondContact OG-OG1 2.95Å; S1525-Q1529 PolarHBondContact O-N 2.69Å; S1525-Q1529 VanDerWaalsContact O-N 3.17Å
1526E83.5Confident82.7Confident106 Ų10655.1 Ų55.150%0.49526%0.261SS..Hα-helixtrans-55.3-40.3-179.4-168.9-155.1143.300111.5R1486 Q1529 Q1530R1486-E1526 IonicContact CZ-OE1 3.77Å; R1486-E1526 IonicContact CZ-OE2 2.94Å; R1486-E1526 IonicContact NH1-OE1 3.81Å; R1486-E1526 PolarHBondContact NH1-OE1 2.88Å; R1486-E1526 IonicContact NH1-OE2 3.37Å; R1486-E1526 IonicContact NH2-OE1 2.8Å; R1486-E1526 PolarHBondContact NH2-OE1 3.12Å; R1486-E1526 IonicContact NH2-OE2 3.64Å; R1486-E1526 PolarHBondContact NH2-OE2 3.46Å; E1526-Q1529 PolarHBondContact O-N 2.94Å; E1526-Q1530 WeakPolarHBondContact O-CG 3.45Å; E1526-Q1530 PolarHBondContact O-N 3.06Å; E1526-Q1530 PolarHBondContact OE1-NE2 2.98Å
1527F87.3Confident81.8Confident9 Ų960.8 Ų60.84%0.03929%0.291CS..Hα-helixtrans-59.1-50.2175.3171.6-106.2000112.2S1482 I1485 R1486 A1489 L1513 Y1516 L1517 S1525 Q1529 Q1530 F1531S1482-F1527 WeakPolarHBondContact OG-CB 3.33Å; I1485-F1527 HydrophobicContact CG2-CD1 3.77Å; I1485-F1527 HydrophobicContact CG2-CE1 3.34Å; I1485-F1527 HydrophobicContact CG2-CE2 4.43Å; I1485-F1527 HydrophobicContact CG2-CG 4.47Å; I1485-F1527 HydrophobicContact CG2-CZ 3.71Å; R1486-F1527 HydrophobicContact CB-CD2 4.4Å; R1486-F1527 HydrophobicContact CG-CB 4.36Å; R1486-F1527 HydrophobicContact CG-CD2 3.37Å; R1486-F1527 HydrophobicContact CG-CE2 3.97Å; R1486-F1527 HydrophobicContact CG-CG 4.14Å; A1489-F1527 HydrophobicContact CB-CE2 3.99Å; A1489-F1527 HydrophobicContact CB-CZ 3.91Å; L1513-F1527 HydrophobicContact CD1-CE1 3.58Å; L1513-F1527 HydrophobicContact CD1-CZ 3.48Å; L1513-F1527 VanDerWaalsContact CD1-CZ 3.48Å; Y1516-F1527 AromaticContact CD1-CD1 4Å; Y1516-F1527 HydrophobicContact CD1-CD1 4Å; Y1516-F1527 HydrophobicContact CD1-CE1 4.32Å; Y1516-F1527 AromaticContact CE1-CD1 3.73Å; Y1516-F1527 HydrophobicContact CE1-CD1 3.73Å; Y1516-F1527 HydrophobicContact CE1-CE1 4.49Å; L1517-F1527 HydrophobicContact CD2-CE1 4.02Å; S1525-F1527 PolarHBondContact O-N 3Å; F1527-Q1529 VanDerWaalsContact C-N 3.28Å; F1527-Q1529 PolarHBondContact O-N 3.31Å; F1527-Q1530 PolarHBondContact O-N 2.89Å; F1527-Q1530 VanDerWaalsContact O-N 3.14Å; F1527-F1531 HydrophobicContact CE1-CB 4.31Å; F1527-F1531 HydrophobicContact CE1-CD2 4.37Å; F1527-F1531 HydrophobicContact CE1-CG 4.45Å; F1527-F1531 HydrophobicContact CE2-CB 4.35Å; F1527-F1531 HydrophobicContact CE2-CD2 4.07Å; F1527-F1531 HydrophobicContact CZ-CB 4.12Å; F1527-F1531 AromaticContact CZ-CD2 3.61Å; F1527-F1531 HydrophobicContact CZ-CD2 3.61Å; F1527-F1531 HydrophobicContact CZ-CE2 4.35Å; F1527-F1531 HydrophobicContact CZ-CG 4.09Å; F1527-F1531 VanDerWaalsContact O-CB 3.32Å; F1527-F1531 WeakPolarHBondContact O-CB 3.1Å; F1527-F1531 PolarHBondContact O-N 2.7Å
1528T85Confident80.9Confident0 Ų063.7 Ų63.70%030%0.304CS..Hα-helixtrans-59.9-41.3-178.5-56.20000110.7L1517 N1522 S1525 F1531 V1532 L1649L1517-T1528 HydrophobicContact CD2-CG2 4.12Å; N1522-T1528 WeakPolarHBondContact O-CB 3.15Å; N1522-T1528 PolarHBondContact O-OG1 3.19Å; S1525-T1528 PolarHBondContact O-N 3.26Å; S1525-T1528 VanDerWaalsContact O-N 3.09Å; S1525-T1528 PolarHBondContact OG-N 3.35Å; S1525-T1528 PolarHBondContact OG-OG1 2.95Å; T1528-F1531 PolarHBondContact O-N 3.17Å; T1528-V1532 HydrophobicContact CG2-CG2 4.32Å; T1528-V1532 WeakPolarHBondContact O-CB 3.29Å; T1528-V1532 WeakPolarHBondContact O-CG2 3.38Å; T1528-V1532 PolarHBondContact O-N 3.49Å; T1528-L1649 HydrophobicContact CG2-CD2 3.67Å
1529Q82.9Confident79.5Confident62 Ų6266.3 Ų66.329%0.2932%0.324SS..Hα-helixtrans-64.2-43.1175.9-65.3178.614.900112.4N1524 S1525 E1526 F1527 V1532 R1533N1524-Q1529 PolarHBondContact O-NE2 3.3Å; S1525-Q1529 PolarHBondContact O-N 2.69Å; S1525-Q1529 VanDerWaalsContact O-N 3.17Å; E1526-Q1529 PolarHBondContact O-N 2.94Å; F1527-Q1529 VanDerWaalsContact C-N 3.28Å; F1527-Q1529 PolarHBondContact O-N 3.31Å; Q1529-V1532 PolarHBondContact O-N 2.92Å; Q1529-R1533 VanDerWaalsContact O-CG 3.32Å; Q1529-R1533 WeakPolarHBondContact O-CG 3.47Å; Q1529-R1533 PolarHBondContact O-N 2.99Å
1530Q83.1Confident78.2Confident73 Ų7370.3 Ų70.334%0.34134%0.34SS..Hα-helixtrans-62.5-44.7174.9-74.3172.3-1.500111.4E1526 F1527 V1532 R1533 L1534E1526-Q1530 WeakPolarHBondContact O-CG 3.45Å; E1526-Q1530 PolarHBondContact O-N 3.06Å; E1526-Q1530 PolarHBondContact OE1-NE2 2.98Å; F1527-Q1530 PolarHBondContact O-N 2.89Å; F1527-Q1530 VanDerWaalsContact O-N 3.14Å; Q1530-V1532 PolarHBondContact O-N 2.86Å; Q1530-R1533 WeakPolarHBondContact O-CB 3.24Å; Q1530-R1533 PolarHBondContact O-N 3.44Å; Q1530-L1534 WeakPolarHBondContact O-CG 3.43Å; Q1530-L1534 PolarHBondContact O-N 3.05Å
1531F85.3Confident77Confident3 Ų364 Ų641%0.01331%0.314CS..Hα-helixtrans-63.4-42.1178.7-165.5-91.9000111.7A1489 L1493 L1513 L1517 F1527 T1528 L1534 C1535 L1563 L1566 W1646A1489-F1531 HydrophobicContact CB-CE2 4.37Å; L1493-F1531 HydrophobicContact CD1-CE2 4.28Å; L1513-F1531 HydrophobicContact CD1-CE2 4.37Å; L1513-F1531 HydrophobicContact CD2-CE2 4.08Å; L1513-F1531 HydrophobicContact CD2-CZ 4.22Å; L1517-F1531 HydrophobicContact CD1-CD1 3.91Å; L1517-F1531 HydrophobicContact CD1-CE1 3.65Å; L1517-F1531 HydrophobicContact CD1-CZ 4.17Å; L1517-F1531 HydrophobicContact CD2-CD1 4.01Å; L1517-F1531 HydrophobicContact CD2-CG 4.33Å; F1527-F1531 HydrophobicContact CE1-CB 4.31Å; F1527-F1531 HydrophobicContact CE1-CD2 4.37Å; F1527-F1531 HydrophobicContact CE1-CG 4.45Å; F1527-F1531 HydrophobicContact CE2-CB 4.35Å; F1527-F1531 HydrophobicContact CE2-CD2 4.07Å; F1527-F1531 HydrophobicContact CZ-CB 4.12Å; F1527-F1531 AromaticContact CZ-CD2 3.61Å; F1527-F1531 HydrophobicContact CZ-CD2 3.61Å; F1527-F1531 HydrophobicContact CZ-CE2 4.35Å; F1527-F1531 HydrophobicContact CZ-CG 4.09Å; F1527-F1531 VanDerWaalsContact O-CB 3.32Å; F1527-F1531 WeakPolarHBondContact O-CB 3.1Å; F1527-F1531 PolarHBondContact O-N 2.7Å; T1528-F1531 PolarHBondContact O-N 3.17Å; F1531-L1534 WeakPolarHBondContact O-CB 3.41Å; F1531-L1534 PolarHBondContact O-N 3.38Å; F1531-C1535 PolarHBondContact O-N 3.32Å; F1531-C1535 PolarHBondContact O-SG 3.21Å; F1531-L1563 HydrophobicContact CE1-CD2 3.63Å; F1531-L1563 HydrophobicContact CE2-CD2 4.45Å; F1531-L1563 HydrophobicContact CZ-CD2 3.42Å; F1531-L1563 VanDerWaalsContact CZ-CD2 3.42Å; F1531-L1566 HydrophobicContact CE1-CD1 4.44Å; F1531-L1566 HydrophobicContact CZ-CD1 3.76Å; F1531-W1646 AromaticContact CD1-CH2 3.97Å; F1531-W1646 HydrophobicContact CD1-CH2 3.97Å; F1531-W1646 AromaticContact CE1-CH2 3.88Å; F1531-W1646 HydrophobicContact CE1-CH2 3.88Å
1532V80.2Confident75.5Confident2 Ų260.4 Ų60.41%0.01230%0.297CS..Hα-helixtrans-62.5-43.6174.1169.70000111.2T1528 Q1529 Q1530 L1534 C1535 K1536 W1646 L1649 F1650T1528-V1532 HydrophobicContact CG2-CG2 4.32Å; T1528-V1532 WeakPolarHBondContact O-CB 3.29Å; T1528-V1532 WeakPolarHBondContact O-CG2 3.38Å; T1528-V1532 PolarHBondContact O-N 3.49Å; Q1529-V1532 PolarHBondContact O-N 2.92Å; Q1530-V1532 PolarHBondContact O-N 2.86Å; V1532-L1534 VanDerWaalsContact C-N 3.32Å; V1532-L1534 PolarHBondContact O-N 3.2Å; V1532-C1535 WeakPolarHBondContact O-CB 3.5Å; V1532-C1535 PolarHBondContact O-N 3.12Å; V1532-C1535 VanDerWaalsContact O-N 3.15Å; V1532-K1536 WeakPolarHBondContact O-CG 3.2Å; V1532-K1536 PolarHBondContact O-N 3.21Å; V1532-W1646 HydrophobicContact CG2-CZ3 3.95Å; V1532-L1649 HydrophobicContact CG2-CB 4.48Å; V1532-L1649 HydrophobicContact CG2-CD2 3.71Å; V1532-F1650 HydrophobicContact CG1-CD1 3.67Å; V1532-F1650 HydrophobicContact CG1-CE1 3.46Å; V1532-F1650 VanDerWaalsContact CG1-CE1 3.46Å; V1532-F1650 HydrophobicContact CG1-CZ 4.42Å
1533R79.6Confident73.9Confident150 Ų15063.7 Ų63.757%0.56632%0.315SS*.Hα-helixtrans-60.6-41.3174.4-73174.7-171.3-178.74.6111.7Q1529 Q1530 C1535 K1536Q1529-R1533 VanDerWaalsContact O-CG 3.32Å; Q1529-R1533 WeakPolarHBondContact O-CG 3.47Å; Q1529-R1533 PolarHBondContact O-N 2.99Å; Q1530-R1533 WeakPolarHBondContact O-CB 3.24Å; Q1530-R1533 PolarHBondContact O-N 3.44Å; R1533-C1535 VanDerWaalsContact C-N 3.34Å; R1533-K1536 WeakPolarHBondContact O-CB 2.82Å; R1533-K1536 PolarHBondContact O-N 3.32Å
1534L78.2Confident72.1Confident83 Ų8368 Ų6844%0.43534%0.339SS..Hα-helixtrans-61.6-42173.1-71.1173.7000111.4Q1530 F1531 V1532 K1536 L1537 F1538Q1530-L1534 WeakPolarHBondContact O-CG 3.43Å; Q1530-L1534 PolarHBondContact O-N 3.05Å; F1531-L1534 WeakPolarHBondContact O-CB 3.41Å; F1531-L1534 PolarHBondContact O-N 3.38Å; V1532-L1534 VanDerWaalsContact C-N 3.32Å; V1532-L1534 PolarHBondContact O-N 3.2Å; L1534-K1536 VanDerWaalsContact C-N 3.3Å; L1534-K1536 PolarHBondContact O-N 3.1Å; L1534-L1537 HydrophobicContact CD2-CD1 4.3Å; L1534-L1537 WeakPolarHBondContact O-CB 3.43Å; L1534-L1537 PolarHBondContact O-N 3.47Å; L1534-L1537 VanDerWaalsContact O-N 3.15Å; L1534-F1538 VanDerWaalsContact O-CD2 3.22Å; L1534-F1538 WeakPolarHBondContact O-CD2 3.21Å
1535C76.2Confident70.5Confident3 Ų370.6 Ų70.62%0.0235%0.345CS..Hα-helixtrans-62.7-33.6176-64.60000112.7F1531 V1532 R1533 L1537 F1538 L1563 F1650F1531-C1535 PolarHBondContact O-N 3.32Å; F1531-C1535 PolarHBondContact O-SG 3.21Å; V1532-C1535 WeakPolarHBondContact O-CB 3.5Å; V1532-C1535 PolarHBondContact O-N 3.12Å; V1532-C1535 VanDerWaalsContact O-N 3.15Å; R1533-C1535 VanDerWaalsContact C-N 3.34Å; C1535-L1537 PolarHBondContact O-N 3.08Å; C1535-F1538 PolarHBondContact O-N 3.43Å; C1535-L1563 VanDerWaalsContact SG-CD2 3.55Å; C1535-F1650 HydrophobicContact CB-CZ 4.4Å
1536K74Confident67.9Low87 Ų8775 Ų7538%0.37837%0.373SS..Hα-helixtrans-62.8-26.8175.7-67.4-178.7-173.6170.30113V1532 R1533 L1534 F1538 F1650 D1653V1532-K1536 WeakPolarHBondContact O-CG 3.2Å; V1532-K1536 PolarHBondContact O-N 3.21Å; R1533-K1536 WeakPolarHBondContact O-CB 2.82Å; R1533-K1536 PolarHBondContact O-N 3.32Å; L1534-K1536 VanDerWaalsContact C-N 3.3Å; L1534-K1536 PolarHBondContact O-N 3.1Å; K1536-F1538 PolarHBondContact O-N 3.41Å; K1536-F1650 HydrophobicContact CD-CD1 4.35Å; K1536-F1650 HydrophobicContact CD-CE1 4.24Å; K1536-F1650 HydrophobicContact CG-CD1 4.06Å; K1536-F1650 HydrophobicContact CG-CE1 3.49Å; K1536-F1650 VanDerWaalsContact CG-CE1 3.49Å; K1536-F1650 HydrophobicContact CG-CZ 4.4Å; K1536-D1653 IonicContact NZ-OD2 2.72Å; K1536-D1653 PolarHBondContact NZ-OD2 2.84Å
1537L71.4Confident65.8Low127 Ų12774.8 Ų74.867%0.66538%0.379SS*.THydrogen-bonded Turntrans-70.5-14.3175.7-62.7171.3000112.5L1534 C1535 P1539L1534-L1537 HydrophobicContact CD2-CD1 4.3Å; L1534-L1537 WeakPolarHBondContact O-CB 3.43Å; L1534-L1537 PolarHBondContact O-N 3.47Å; L1534-L1537 VanDerWaalsContact O-N 3.15Å; C1535-L1537 PolarHBondContact O-N 3.08Å; L1537-P1539 VanDerWaalsContact O-CD 3.28Å; L1537-P1539 WeakPolarHBondContact O-CD 3.45Å
1538F67.4Low63.3Low61 Ų6180 Ų8027%0.26842%0.416SS..  trans-115.581.8-180-59-74.4000110.7L1534 C1535 K1536 H1540 V1541 K1559 T1560 L1563L1534-F1538 VanDerWaalsContact O-CD2 3.22Å; L1534-F1538 WeakPolarHBondContact O-CD2 3.21Å; C1535-F1538 PolarHBondContact O-N 3.43Å; K1536-F1538 PolarHBondContact O-N 3.41Å; F1538-H1540 PolarHBondContact O-N 3.42Å; F1538-V1541 HydrophobicContact CB-CG2 3.98Å; F1538-V1541 PolarHBondContact O-N 3.37Å; F1538-K1559 HydrophobicContact CE1-CB 4.18Å; F1538-K1559 HydrophobicContact CE1-CD 4.15Å; F1538-K1559 HydrophobicContact CE2-CB 4.44Å; F1538-K1559 HydrophobicContact CE2-CD 4.23Å; F1538-K1559 HydrophobicContact CZ-CB 4.07Å; F1538-K1559 HydrophobicContact CZ-CD 3.54Å; F1538-K1559 HydrophobicContact CZ-CG 4.44Å; F1538-T1560 HydrophobicContact CB-CG2 4.08Å; F1538-T1560 HydrophobicContact CD1-CG2 4.31Å; F1538-T1560 HydrophobicContact CG-CG2 4.48Å; F1538-L1563 HydrophobicContact CD2-CD1 4.14Å
1539P58.1Low61.1Low77 Ų7783.1 Ų83.150%0.544%0.438SS..Hα-helixtrans-62.6-17.5-172.722.7-32.9000114.6L1537 V1541 T1542L1537-P1539 VanDerWaalsContact O-CD 3.28Å; L1537-P1539 WeakPolarHBondContact O-CD 3.45Å; P1539-V1541 VanDerWaalsContact C-N 3.26Å; P1539-V1541 PolarHBondContact O-N 3.07Å; P1539-T1542 PolarHBondContact O-OG1 3.1Å
1540H58.3Low59Low149 Ų14986.1 Ų86.169%0.6947%0.466SS*.Hα-helixtrans-69.2-21.8175.2-65.3-65.7000113.5F1538 T1560F1538-H1540 PolarHBondContact O-N 3.42Å; H1540-T1560 HydrophobicContact CB-CG2 4.27Å
1541V54.3Low57.2Low13 Ų1386.3 Ų86.38%0.07948%0.475CS..Hα-helixtrans-77.3-29-179.7-1780000112F1538 P1539 T1560 L1563F1538-V1541 HydrophobicContact CB-CG2 3.98Å; F1538-V1541 PolarHBondContact O-N 3.37Å; P1539-V1541 VanDerWaalsContact C-N 3.26Å; P1539-V1541 PolarHBondContact O-N 3.07Å; V1541-T1560 HydrophobicContact CG2-CG2 3.98Å; V1541-L1563 HydrophobicContact CG1-CB 3.86Å; V1541-L1563 HydrophobicContact CG1-CD1 4.46Å; V1541-L1563 HydrophobicContact CG2-CB 3.93Å; V1541-L1563 HydrophobicContact CG2-CD1 3.8Å
1542T51.1Low55.3Low62 Ų6294.2 Ų94.238%0.3852%0.516SS..Hα-helixtrans-78.6-22.1-178.5590000112.6P1539 F1650P1539-T1542 PolarHBondContact O-OG1 3.1Å; T1542-F1650 HydrophobicContact CG2-CE2 3.8Å; T1542-F1650 HydrophobicContact CG2-CZ 3.98Å
1543N51.3Low54.1Low100 Ų10096.2 Ų96.254%0.53553%0.525SS..  trans-90.6124.8-179.1-78.6-38.5000111.9K1545N1543-K1545 PolarHBondContact O-N 3.34Å
1544I43.9Very low53.2Low126 Ų12696 Ų9665%0.64653%0.528SS*.  trans-74.619179.8-58.8166.1000112
1545K43.1Very low52.2Low166 Ų16693.9 Ų93.972%0.72252%0.519SS*.  trans-72.2130-171.7-77.7-173.2177.3-178.90110.7N1543 T1547N1543-K1545 PolarHBondContact O-N 3.34Å; K1545-T1547 PolarHBondContact O-N 3.48Å
1546P32.2Very low51.5Low117 Ų11796.3 Ų96.376%0.7653%0.532SS*.  trans-66.2100.7175.227.6-31.2000107.5S1548P1546-S1548 PolarHBondContact O-N 3.23Å
1547T39Very low51.2Low100 Ų10092.8 Ų92.861%0.61352%0.52SS*.  trans-8283.4170.552.20000107.8K1545 S1549K1545-T1547 PolarHBondContact O-N 3.48Å; T1547-S1549 PolarHBondContact O-N 3.28Å
1548S33.8Very low51.3Low118 Ų11891 Ų9183%0.82551%0.511SS*.  trans-72.220.9158.845.90000112.2P1546 S1550P1546-S1548 PolarHBondContact O-N 3.23Å; S1548-S1550 PolarHBondContact O-N 3.35Å
1549S39.3Very low51.7Low67 Ų6793 Ų9347%0.46952%0.519SS..  trans-89.2108.9-174.655.40000110.8T1547 S1551T1547-S1549 PolarHBondContact O-N 3.28Å; S1549-S1551 PolarHBondContact O-N 2.7Å
1550S39.6Very low52.5Low124 Ų12490.6 Ų90.687%0.86750%0.504SS*.  trans-56.443.6169.657.10000115.7S1548S1548-S1550 PolarHBondContact O-N 3.35Å
1551S44.6Very low53.5Low77 Ų7784.5 Ų84.554%0.53848%0.476SS..  trans-80.6139.2160.854.30000107.8S1549 Q1553S1549-S1551 PolarHBondContact O-N 2.7Å; S1551-Q1553 PolarHBondContact O-N 3.34Å
1552I45.8Very low54.8Low169 Ų16984.5 Ų84.587%0.86748%0.476SS*.  trans-60.684.8175.9-62.5159.1000106.9K1554I1552-K1554 PolarHBondContact O-N 3.33Å
1553Q53.9Low56.2Low45 Ų4581.9 Ų81.921%0.2146%0.459CS..  trans-71.4124.2179.9-77.1-179.5-6.900106.7S1551 V1555S1551-Q1553 PolarHBondContact O-N 3.34Å; Q1553-V1555 PolarHBondContact O-N 3.45Å
1554K60.5Low57.6Low145 Ų14579.3 Ų79.363%0.6345%0.445SS*.  trans-49.6138176.1-70.3176.3179.1172.20109.3I1552 D1556 G1557I1552-K1554 PolarHBondContact O-N 3.33Å; K1554-D1556 PolarHBondContact O-N 3Å; K1554-D1556 VanDerWaalsContact O-N 3.15Å; K1554-G1557 PolarHBondContact O-N 2.9Å
1555V57.9Low59.5Low39 Ų3973.7 Ų73.724%0.23642%0.416CS..THydrogen-bonded Turntrans-60-27.6-177-1660000112.1T1500 Q1553 G1557 A1618 F1621 A1624T1500-V1555 HydrophobicContact CG2-CB 3.93Å; T1500-V1555 HydrophobicContact CG2-CG1 3.35Å; Q1553-V1555 PolarHBondContact O-N 3.45Å; V1555-G1557 VanDerWaalsContact C-N 3.31Å; V1555-G1557 PolarHBondContact O-N 3.19Å; V1555-A1618 HydrophobicContact CG1-CB 3.87Å; V1555-A1618 VanDerWaalsContact CG1-O 3.31Å; V1555-A1618 WeakPolarHBondContact CG1-O 3.33Å; V1555-A1618 WeakPolarHBondContact CG2-O 3.21Å; V1555-F1621 WeakPolarHBondContact O-CD2 3.11Å; V1555-A1624 HydrophobicContact CG1-CB 4.05Å
1556D62.8Low61.5Low54 Ų5466 Ų6629%0.28938%0.383SS..THydrogen-bonded Turntrans-80.1-10.4-179.4-60.6-29.4000113.9Q1498 T1500 K1554 F1621Q1498-D1556 VanDerWaalsContact NE2-CG 3.34Å; Q1498-D1556 PolarHBondContact NE2-OD2 3.24Å; T1500-D1556 WeakPolarHBondContact CB-OD1 3.47Å; T1500-D1556 VanDerWaalsContact CG2-OD1 3.22Å; T1500-D1556 WeakPolarHBondContact CG2-OD1 3.47Å; T1500-D1556 PolarHBondContact OG1-OD1 2.86Å; K1554-D1556 PolarHBondContact O-N 3Å; K1554-D1556 VanDerWaalsContact O-N 3.15Å; D1556-F1621 VanDerWaalsContact C-CD2 3.47Å; D1556-F1621 WeakPolarHBondContact O-CE2 3.12Å
1557G66.4Low63.8Low12 Ų1261.4 Ų61.412%0.12435%0.351CS..  trans72139-175.200000112.9K1554 V1555 F1621K1554-G1557 PolarHBondContact O-N 2.9Å; V1555-G1557 VanDerWaalsContact C-N 3.31Å; V1555-G1557 PolarHBondContact O-N 3.19Å; G1557-F1621 VanDerWaalsContact N-CD2 3.28Å
1558D74.5Confident66Low89 Ų8959 Ų5948%0.47633%0.332SS..  trans-75.6168.1167.8-75.7-20000110T1560 D1561 I1562D1558-T1560 PolarHBondContact O-N 3.11Å; D1558-D1561 PolarHBondContact N-OD2 3.08Å; D1558-D1561 WeakPolarHBondContact O-CB 3.29Å; D1558-D1561 PolarHBondContact O-N 3.31Å; D1558-I1562 PolarHBondContact O-N 3.04Å
1559K74.9Confident68.6Low103 Ų10353.4 Ų53.445%0.44829%0.293SS..Hα-helixtrans-52.3-32.3178-69.8-178.6179.1178.70112.7L1493 F1538 L1563L1493-K1559 HydrophobicContact CD2-CG 4.43Å; L1493-K1559 VanDerWaalsContact O-CE 3.3Å; L1493-K1559 WeakPolarHBondContact O-CE 3.35Å; F1538-K1559 HydrophobicContact CE1-CB 4.18Å; F1538-K1559 HydrophobicContact CE1-CD 4.15Å; F1538-K1559 HydrophobicContact CE2-CB 4.44Å; F1538-K1559 HydrophobicContact CE2-CD 4.23Å; F1538-K1559 HydrophobicContact CZ-CB 4.07Å; F1538-K1559 HydrophobicContact CZ-CD 3.54Å; F1538-K1559 HydrophobicContact CZ-CG 4.44Å; K1559-L1563 VanDerWaalsContact O-CG 3.22Å; K1559-L1563 WeakPolarHBondContact O-CG 3.42Å; K1559-L1563 PolarHBondContact O-N 2.87Å
1560T74.4Confident70.7Confident28 Ų2853.4 Ų53.417%0.17228%0.284CS..Hα-helixtrans-66.2-39174.646.60000113F1538 H1540 V1541 D1558 L1563 N1564F1538-T1560 HydrophobicContact CB-CG2 4.08Å; F1538-T1560 HydrophobicContact CD1-CG2 4.31Å; F1538-T1560 HydrophobicContact CG-CG2 4.48Å; H1540-T1560 HydrophobicContact CB-CG2 4.27Å; V1541-T1560 HydrophobicContact CG2-CG2 3.98Å; D1558-T1560 PolarHBondContact O-N 3.11Å; T1560-L1563 PolarHBondContact O-N 3.31Å; T1560-N1564 PolarHBondContact O-N 3.34Å; T1560-N1564 PolarHBondContact O-ND2 2.82Å
1561D79.5Confident72.8Confident21 Ų2149.4 Ų49.411%0.11225%0.252CS..Hα-helixtrans-71.6-39.8-177.4-57.9-29.3000110.6D1558 L1563 N1564 L1565 F1621D1558-D1561 PolarHBondContact N-OD2 3.08Å; D1558-D1561 WeakPolarHBondContact O-CB 3.29Å; D1558-D1561 PolarHBondContact O-N 3.31Å; D1561-L1563 VanDerWaalsContact C-N 3.34Å; D1561-L1563 PolarHBondContact O-N 3.03Å; D1561-N1564 WeakPolarHBondContact O-CB 3.42Å; D1561-N1564 PolarHBondContact O-N 2.95Å; D1561-L1565 WeakPolarHBondContact O-CB 3.07Å; D1561-L1565 PolarHBondContact O-N 3.39Å; D1561-F1621 HydrophobicContact CB-CD1 3.7Å; D1561-F1621 HydrophobicContact CB-CE1 3.76Å; D1561-F1621 HydrophobicContact CB-CG 4.36Å; D1561-F1621 HydrophobicContact CB-CZ 4.5Å
1562I81.8Confident74.6Confident13 Ų1345.8 Ų45.87%0.06723%0.227CC..Hα-helixtrans-61.1-43.7173.8-62.1170.1000110.6I1492 D1558 L1565 L1566 F1621I1492-I1562 HydrophobicContact CG2-CD1 3.81Å; I1492-I1562 HydrophobicContact CG2-CG1 4.38Å; I1492-I1562 HydrophobicContact CG2-CG2 3.53Å; D1558-I1562 PolarHBondContact O-N 3.04Å; I1562-L1565 WeakPolarHBondContact O-CB 3.4Å; I1562-L1565 PolarHBondContact O-N 3.46Å; I1562-L1566 WeakPolarHBondContact O-CG 3.11Å; I1562-L1566 PolarHBondContact O-N 2.93Å; I1562-F1621 HydrophobicContact CG1-CZ 4.21Å
1563L80.2Confident76.2Confident6 Ų639.5 Ų39.53%0.03120%0.195CC..Hα-helixtrans-65.5-38.5176.8-70.6172.2000112F1531 C1535 F1538 V1541 K1559 T1560 D1561 L1566 R1567F1531-L1563 HydrophobicContact CE1-CD2 3.63Å; F1531-L1563 HydrophobicContact CE2-CD2 4.45Å; F1531-L1563 HydrophobicContact CZ-CD2 3.42Å; F1531-L1563 VanDerWaalsContact CZ-CD2 3.42Å; C1535-L1563 VanDerWaalsContact SG-CD2 3.55Å; F1538-L1563 HydrophobicContact CD2-CD1 4.14Å; V1541-L1563 HydrophobicContact CG1-CB 3.86Å; V1541-L1563 HydrophobicContact CG1-CD1 4.46Å; V1541-L1563 HydrophobicContact CG2-CB 3.93Å; V1541-L1563 HydrophobicContact CG2-CD1 3.8Å; K1559-L1563 VanDerWaalsContact O-CG 3.22Å; K1559-L1563 WeakPolarHBondContact O-CG 3.42Å; K1559-L1563 PolarHBondContact O-N 2.87Å; T1560-L1563 PolarHBondContact O-N 3.31Å; D1561-L1563 VanDerWaalsContact C-N 3.34Å; D1561-L1563 PolarHBondContact O-N 3.03Å; L1563-L1566 HydrophobicContact CD2-CD1 4.33Å; L1563-L1566 PolarHBondContact O-N 3.04Å; L1563-R1567 PolarHBondContact O-N 3.18Å
1564N80.6Confident77.1Confident46 Ų4642.6 Ų42.625%0.24621%0.207CC..Hα-helixtrans-64.2-43.9171.9-78.8-27.9000111.6T1560 D1561 L1566 R1567 F1568T1560-N1564 PolarHBondContact O-N 3.34Å; T1560-N1564 PolarHBondContact O-ND2 2.82Å; D1561-N1564 WeakPolarHBondContact O-CB 3.42Å; D1561-N1564 PolarHBondContact O-N 2.95Å; N1564-L1566 VanDerWaalsContact C-N 3.33Å; N1564-L1566 PolarHBondContact O-N 3.23Å; N1564-R1567 WeakPolarHBondContact O-CA 3.5Å; N1564-R1567 VanDerWaalsContact O-CB 3.31Å; N1564-R1567 WeakPolarHBondContact O-CB 3.46Å; N1564-R1567 PolarHBondContact O-N 2.83Å; N1564-F1568 WeakPolarHBondContact O-CD2 3.33Å; N1564-F1568 PolarHBondContact O-N 3.32Å
1565L84.2Confident77.5Confident8 Ų841.3 Ų41.34%0.04220%0.204CC..Hα-helixtrans-57-46.7174.4173.862000111F1506 V1510 D1561 I1562 R1567 F1568 Y1569 F1621 I1625 I1630 C1632F1506-L1565 HydrophobicContact CE1-CD2 3.56Å; F1506-L1565 HydrophobicContact CZ-CD2 3.83Å; V1510-L1565 HydrophobicContact CG1-CD2 4.43Å; V1510-L1565 HydrophobicContact CG1-CG 4.48Å; V1510-L1565 HydrophobicContact CG2-CD2 4.26Å; D1561-L1565 WeakPolarHBondContact O-CB 3.07Å; D1561-L1565 PolarHBondContact O-N 3.39Å; I1562-L1565 WeakPolarHBondContact O-CB 3.4Å; I1562-L1565 PolarHBondContact O-N 3.46Å; L1565-R1567 PolarHBondContact O-N 3.27Å; L1565-F1568 CarbonylContact O-C 3.41Å; L1565-F1568 PolarHBondContact O-N 2.86Å; L1565-F1568 VanDerWaalsContact O-N 3.11Å; L1565-Y1569 WeakPolarHBondContact O-CA 3.48Å; L1565-Y1569 VanDerWaalsContact O-CB 3.3Å; L1565-Y1569 WeakPolarHBondContact O-CB 3.43Å; L1565-Y1569 PolarHBondContact O-N 2.97Å; L1565-F1621 HydrophobicContact CB-CE1 4.14Å; L1565-F1621 HydrophobicContact CB-CZ 4.42Å; L1565-F1621 HydrophobicContact CD2-CE1 4.38Å; L1565-F1621 HydrophobicContact CD2-CZ 3.99Å; L1565-I1625 HydrophobicContact CB-CD1 4.43Å; L1565-I1625 HydrophobicContact CD1-CD1 3.74Å; L1565-I1625 HydrophobicContact CD1-CG1 4.17Å; L1565-I1625 HydrophobicContact CD1-CG2 4.02Å; L1565-I1625 HydrophobicContact CD2-CD1 4.06Å; L1565-I1625 HydrophobicContact CD2-CG1 4.14Å; L1565-I1625 HydrophobicContact CG-CD1 4.28Å; L1565-I1630 HydrophobicContact CD1-CG2 4.4Å; L1565-C1632 WeakPolarHBondContact CD1-SG 3.41Å
1566L84.7Confident78Confident4 Ų441.5 Ų41.52%0.02120%0.2CC..Hα-helixtrans-58.3-33.1176.3-73.1168.4000112.3V1510 L1513 N1514 F1531 I1562 L1563 N1564V1510-L1566 HydrophobicContact CG1-CD2 4.1Å; L1513-L1566 HydrophobicContact CB-CD2 4.11Å; L1513-L1566 HydrophobicContact CD2-CD1 3.57Å; L1513-L1566 HydrophobicContact CD2-CD2 3.93Å; L1513-L1566 HydrophobicContact CD2-CG 4.41Å; L1513-L1566 HydrophobicContact CG-CD1 4.14Å; L1513-L1566 HydrophobicContact CG-CD2 3.94Å; N1514-L1566 HydrophobicContact CB-CD2 4.32Å; N1514-L1566 PolarHBondContact ND2-O 3.29Å; F1531-L1566 HydrophobicContact CE1-CD1 4.44Å; F1531-L1566 HydrophobicContact CZ-CD1 3.76Å; I1562-L1566 WeakPolarHBondContact O-CG 3.11Å; I1562-L1566 PolarHBondContact O-N 2.93Å; L1563-L1566 HydrophobicContact CD2-CD1 4.33Å; L1563-L1566 PolarHBondContact O-N 3.04Å; N1564-L1566 VanDerWaalsContact C-N 3.33Å; N1564-L1566 PolarHBondContact O-N 3.23Å
1567R82Confident78.1Confident22 Ų2242.2 Ų42.28%0.08320%0.204CC..Hα-helixtrans-69-44.4175.3-175.2179.8-179.71741.3112.1Y1518 L1563 N1564 L1565 L1638 R1642Y1518-R1567 WeakPolarHBondContact OH-CA 3.49Å; L1563-R1567 PolarHBondContact O-N 3.18Å; N1564-R1567 WeakPolarHBondContact O-CA 3.5Å; N1564-R1567 VanDerWaalsContact O-CB 3.31Å; N1564-R1567 WeakPolarHBondContact O-CB 3.46Å; N1564-R1567 PolarHBondContact O-N 2.83Å; L1565-R1567 PolarHBondContact O-N 3.27Å; R1567-L1638 HydrophobicContact CG-CD2 4.33Å; R1567-R1642 PolarHBondContact O-NH1 2.81Å
1568F84.8Confident77.8Confident49 Ų4948.9 Ų48.922%0.21523%0.231CC..Hα-helixtrans-89.3-11.5-175.7-64.2-69.6000114.3N1564 L1565 K1570 C1632 Y1633 T1635 L1638N1564-F1568 WeakPolarHBondContact O-CD2 3.33Å; N1564-F1568 PolarHBondContact O-N 3.32Å; L1565-F1568 CarbonylContact O-C 3.41Å; L1565-F1568 PolarHBondContact O-N 2.86Å; L1565-F1568 VanDerWaalsContact O-N 3.11Å; F1568-K1570 PolarHBondContact O-N 2.83Å; F1568-C1632 HydrophobicContact CB-CB 4.19Å; F1568-C1632 CarbonylContact O-C 3.52Å; F1568-C1632 VanDerWaalsContact O-CA 3.25Å; F1568-C1632 WeakPolarHBondContact O-CA 3.43Å; F1568-Y1633 WeakPolarHBondContact CD1-O 3.02Å; F1568-Y1633 WeakPolarHBondContact O-CD2 3.27Å; F1568-Y1633 PolarHBondContact O-N 2.72Å; F1568-T1635 HydrophobicContact CE1-CG2 4.16Å; F1568-T1635 HydrophobicContact CZ-CG2 4.21Å; F1568-L1638 HydrophobicContact CD1-CD1 3.9Å; F1568-L1638 HydrophobicContact CD1-CD2 4.42Å; F1568-L1638 HydrophobicContact CE1-CD1 4.36Å; F1568-L1638 HydrophobicContact CE1-CD2 4.08Å
1569Y88.5Confident76.8Confident0 Ų047.9 Ų47.90%022%0.224CC..EExtended strand (participates in β ladder)trans-56.8126.1-177.8177.4-93.3000111.5L1507 V1510 H1511 N1514 L1565 P1572 I1630 R1642L1507-Y1569 HydrophobicContact CD1-CE2 4.06Å; V1510-Y1569 HydrophobicContact CG1-CD2 3.44Å; V1510-Y1569 VanDerWaalsContact CG1-CD2 3.44Å; V1510-Y1569 HydrophobicContact CG1-CE2 3.83Å; V1510-Y1569 HydrophobicContact CG1-CG 3.87Å; H1511-Y1569 HydrophobicContact CB-CE1 4.36Å; H1511-Y1569 WeakPolarHBondContact CB-OH 3.37Å; H1511-Y1569 AromaticContact ND1-CE1 3.87Å; H1511-Y1569 AromaticContact ND1-CZ 3.78Å; H1511-Y1569 PolarHBondContact ND1-OH 2.92Å; N1514-Y1569 HydrophobicContact CB-CD1 3.72Å; N1514-Y1569 HydrophobicContact CB-CE1 4.37Å; N1514-Y1569 HydrophobicContact CB-CG 4.32Å; L1565-Y1569 WeakPolarHBondContact O-CA 3.48Å; L1565-Y1569 VanDerWaalsContact O-CB 3.3Å; L1565-Y1569 WeakPolarHBondContact O-CB 3.43Å; L1565-Y1569 PolarHBondContact O-N 2.97Å; Y1569-P1572 VanDerWaalsContact OH-CD 3.23Å; Y1569-P1572 WeakPolarHBondContact OH-CD 3.28Å; Y1569-I1630 HydrophobicContact CD2-CG2 3.6Å; Y1569-I1630 HydrophobicContact CE2-CG2 3.7Å; Y1569-R1642 PolarHBondContact O-NH1 3.31Å
1570K84.3Confident75.6Confident68 Ų6848.9 Ų48.930%0.29624%0.239SC..EExtended strand (participates in β ladder)trans-101.5-57.6179.6-177-177.2176.4-165.10111.2R1515 F1568 E1631 Y1633R1515-K1570 PolarHBondContact NH2-O 2.92Å; F1568-K1570 PolarHBondContact O-N 2.83Å; K1570-E1631 HydrophobicContact CB-CB 4.34Å; K1570-E1631 VanDerWaalsContact CB-O 3.27Å; K1570-E1631 WeakPolarHBondContact CB-O 3.45Å; K1570-E1631 HydrophobicContact CD-CB 4.42Å; K1570-E1631 PolarHBondContact N-O 2.94Å; K1570-E1631 IonicContact NZ-OE2 3.61Å; K1570-Y1633 HydrophobicContact CB-CD2 3.84Å; K1570-Y1633 HydrophobicContact CB-CE1 4.47Å; K1570-Y1633 HydrophobicContact CB-CE2 3.65Å; K1570-Y1633 HydrophobicContact CB-CG 4.33Å; K1570-Y1633 HydrophobicContact CD-CD1 4.25Å; K1570-Y1633 HydrophobicContact CD-CE1 3.96Å; K1570-Y1633 HydrophobicContact CG-CD1 4.39Å; K1570-Y1633 HydrophobicContact CG-CD2 4.26Å; K1570-Y1633 HydrophobicContact CG-CE1 3.88Å; K1570-Y1633 HydrophobicContact CG-CE2 3.73Å
1571Q83Confident74.3Confident39 Ų3954.4 Ų54.418%0.18226%0.261CS..EExtended strand (participates in β ladder)trans-175.8165-174.258.9-174.99.800109.5E1631Q1571-E1631 HydrophobicContact CG-CB 4.18Å; Q1571-E1631 PolarHBondContact N-O 2.98Å; Q1571-E1631 PolarHBondContact NE2-OE2 2.7Å; Q1571-E1631 WeakPolarHBondContact O-CB 3.19Å; Q1571-E1631 PolarHBondContact O-N 2.93Å
1572P82.9Confident72.9Confident2 Ų257.9 Ų57.91%0.01329%0.287CS..EExtended strand (participates in β ladder)trans-64.2155.1162.432.2-37.6000110.4L1471 L1475 L1507 Y1569 K1574 L1577L1471-P1572 HydrophobicContact CD2-CB 4.08Å; L1471-P1572 HydrophobicContact CD2-CG 4.44Å; L1475-P1572 HydrophobicContact CD1-CB 4.43Å; L1475-P1572 HydrophobicContact CD1-CG 3.68Å; L1507-P1572 HydrophobicContact CD1-CB 3.95Å; L1507-P1572 HydrophobicContact CD2-CB 4.02Å; Y1569-P1572 VanDerWaalsContact OH-CD 3.23Å; Y1569-P1572 WeakPolarHBondContact OH-CD 3.28Å; P1572-K1574 PolarHBondContact O-N 3.33Å; P1572-L1577 HydrophobicContact CG-CD1 3.77Å; P1572-L1577 HydrophobicContact CG-CD2 3.81Å; P1572-L1577 HydrophobicContact CG-CG 3.75Å
1573N78Confident71.6Confident36 Ų3659 Ų5919%0.19329%0.292CS..  trans-51.6127.4176.6176.1-8.3000110.4Q1575 W1576 L1577 S1629 E1631N1573-Q1575 PolarHBondContact O-N 2.72Å; N1573-Q1575 WeakPolarHBondContact OD1-CB 3.49Å; N1573-Q1575 PolarHBondContact OD1-N 2.98Å; N1573-W1576 PolarHBondContact O-N 3.02Å; N1573-L1577 PolarHBondContact O-N 3.24Å; N1573-S1629 VanDerWaalsContact CB-O 3.23Å; N1573-S1629 WeakPolarHBondContact CB-O 3.45Å; N1573-S1629 PolarHBondContact N-O 2.91Å; N1573-E1631 WeakPolarHBondContact CA-OE1 3.34Å
1574K72.6Confident70.5Confident110 Ų11065.8 Ų65.848%0.47832%0.321SS..Hα-helixtrans-53.3-29.8-178-67.9-174.5178.1-175.40113.3P1572 W1576 L1577 Q1578 E1631P1572-K1574 PolarHBondContact O-N 3.33Å; K1574-W1576 VanDerWaalsContact C-N 3.32Å; K1574-W1576 PolarHBondContact O-N 3.28Å; K1574-L1577 PolarHBondContact O-N 3.32Å; K1574-Q1578 WeakPolarHBondContact O-CB 3.44Å; K1574-Q1578 WeakPolarHBondContact O-CG 3.37Å; K1574-Q1578 PolarHBondContact O-N 3.07Å; K1574-E1631 PolarHBondContact N-OE1 3Å
1575Q69.9Low69.4Low118 Ų11864.8 Ų64.855%0.55132%0.316SS*.Hα-helixtrans-58.9-42.1176.6-68.4-178.3-1600111.9N1573 Q1578 Q1579N1573-Q1575 PolarHBondContact O-N 2.72Å; N1573-Q1575 WeakPolarHBondContact OD1-CB 3.49Å; N1573-Q1575 PolarHBondContact OD1-N 2.98Å; Q1575-Q1578 PolarHBondContact O-N 3.33Å; Q1575-Q1579 VanDerWaalsContact O-CB 3.31Å; Q1575-Q1579 WeakPolarHBondContact O-CB 2.96Å; Q1575-Q1579 WeakPolarHBondContact O-CG 3.2Å; Q1575-Q1579 PolarHBondContact O-N 3.07Å
1576W68Low68.3Low43 Ų4368.7 Ų68.716%0.16334%0.337CS..Hα-helixtrans-74.4-26178.7-71.8104000113.3L1464 S1465 L1471 N1573 K1574 S1629L1464-W1576 VanDerWaalsContact C-CH2 3.44Å; L1464-W1576 HydrophobicContact CB-CD2 3.91Å; L1464-W1576 HydrophobicContact CB-CE3 3.88Å; L1464-W1576 HydrophobicContact CB-CH2 3.77Å; L1464-W1576 HydrophobicContact CB-CZ2 3.75Å; L1464-W1576 HydrophobicContact CB-CZ3 3.82Å; L1464-W1576 HydrophobicContact CD1-CD2 4.23Å; L1464-W1576 HydrophobicContact CD1-CG 4.26Å; L1464-W1576 WeakPolarHBondContact O-CZ3 3.49Å; S1465-W1576 VanDerWaalsContact CA-CH2 3.45Å; S1465-W1576 VanDerWaalsContact N-CH2 3.3Å; L1471-W1576 HydrophobicContact CD2-CB 4.02Å; N1573-W1576 PolarHBondContact O-N 3.02Å; K1574-W1576 VanDerWaalsContact C-N 3.32Å; K1574-W1576 PolarHBondContact O-N 3.28Å; W1576-S1629 PolarHBondContact NE1-OG 3.04Å
1577L65.9Low67Low69 Ų6972.7 Ų72.736%0.36136%0.362SS..Hα-helixtrans-74.6-31.1172.9-71.1171.9000112.5L1475 P1572 N1573 K1574L1475-L1577 HydrophobicContact CD1-CD2 4.38Å; P1572-L1577 HydrophobicContact CG-CD1 3.77Å; P1572-L1577 HydrophobicContact CG-CD2 3.81Å; P1572-L1577 HydrophobicContact CG-CG 3.75Å; N1573-L1577 PolarHBondContact O-N 3.24Å; K1574-L1577 PolarHBondContact O-N 3.32Å
1578Q59.9Low65.8Low152 Ų15274.1 Ų74.171%0.7137%0.371SS*.Hα-helixtrans-91.8-18.9-178.3-69.4177.8-700113.4K1574 Q1575 T1580K1574-Q1578 WeakPolarHBondContact O-CB 3.44Å; K1574-Q1578 WeakPolarHBondContact O-CG 3.37Å; K1574-Q1578 PolarHBondContact O-N 3.07Å; Q1575-Q1578 PolarHBondContact O-N 3.33Å; Q1578-T1580 PolarHBondContact O-N 3.05Å; Q1578-T1580 VanDerWaalsContact O-N 3.1Å
1579Q53.8Low64.7Low68 Ų6872.3 Ų72.332%0.31836%0.363SS..  trans-73.6102.7-177.5-86.6179.421.700111.9Q1575 K1581Q1575-Q1579 VanDerWaalsContact O-CB 3.31Å; Q1575-Q1579 WeakPolarHBondContact O-CB 2.96Å; Q1575-Q1579 WeakPolarHBondContact O-CG 3.2Å; Q1575-Q1579 PolarHBondContact O-N 3.07Å; Q1579-K1581 HydrophobicContact CB-CB 4.39Å; Q1579-K1581 HydrophobicContact CG-CB 4.21Å; Q1579-K1581 HydrophobicContact CG-CD 4.04Å; Q1579-K1581 HydrophobicContact CG-CG 4.03Å
1580T49.7Very low63Low124 Ų12477.9 Ų77.976%0.76139%0.389SS*.  trans-9126.9146.948.60000110.7Q1578 S1582Q1578-T1580 PolarHBondContact O-N 3.05Å; Q1578-T1580 VanDerWaalsContact O-N 3.1Å; T1580-S1582 PolarHBondContact O-N 2.85Å
1581K45.7Very low61.3Low145 Ų14577.2 Ų77.263%0.6339%0.391SS*.  trans-60141.2-178.6-88.5-172.6178.2-178.50109.8Q1579 I1583Q1579-K1581 HydrophobicContact CB-CB 4.39Å; Q1579-K1581 HydrophobicContact CG-CB 4.21Å; Q1579-K1581 HydrophobicContact CG-CD 4.04Å; Q1579-K1581 HydrophobicContact CG-CG 4.03Å; K1581-I1583 PolarHBondContact O-N 3.43Å
1582S49.6Very low59.2Low94 Ų9476.8 Ų76.866%0.65740%0.396SS*.  trans-53.298.9167.959.10000108.8T1580 K1584T1580-S1582 PolarHBondContact O-N 2.85Å; S1582-K1584 PolarHBondContact O-N 2.96Å; S1582-K1584 VanDerWaalsContact O-N 3.15Å
1583I54.7Low57Low35 Ų3583.2 Ų83.218%0.17943%0.43CS..  trans-54.8125.1167.7-63.5158.8000105Y1375 L1467 K1581 L1585Y1375-I1583 HydrophobicContact CD2-CD1 4.21Å; Y1375-I1583 HydrophobicContact CE2-CD1 4.16Å; L1467-I1583 WeakPolarHBondContact O-CD1 3.46Å; K1581-I1583 PolarHBondContact O-N 3.43Å; I1583-L1585 HydrophobicContact CB-CD2 4.48Å; I1583-L1585 HydrophobicContact CG2-CD2 4.19Å; I1583-L1585 PolarHBondContact O-N 3.34Å
1584K57.8Low54.7Low149 Ų14989.9 Ų89.965%0.64846%0.459SS*.  trans-71.385171.1-74.1-173.4179-177.80106.8S1582 N1586 T1587 N1588S1582-K1584 PolarHBondContact O-N 2.96Å; S1582-K1584 VanDerWaalsContact O-N 3.15Å; K1584-N1586 PolarHBondContact O-N 3.22Å; K1584-N1586 VanDerWaalsContact O-N 3.13Å; K1584-T1587 VanDerWaalsContact CB-OG1 3.22Å; K1584-T1587 WeakPolarHBondContact CB-OG1 3.48Å; K1584-T1587 PolarHBondContact O-N 2.79Å; K1584-T1587 PolarHBondContact O-OG1 3.3Å; K1584-N1588 PolarHBondContact O-N 3.4Å
1585L58.6Low52.6Low26 Ų2690.3 Ų90.314%0.13647%0.466CS..Hα-helixtrans-52-37.6-176.1-66.9166.3000110.7A1371 E1372 Y1375 I1583 T1587 L1589A1371-L1585 HydrophobicContact CB-CD2 4.15Å; E1372-L1585 HydrophobicContact CB-CD1 4.34Å; E1372-L1585 HydrophobicContact CG-CD1 3.64Å; Y1375-L1585 HydrophobicContact CD1-CD1 4.44Å; Y1375-L1585 HydrophobicContact CG-CD1 4.41Å; I1583-L1585 HydrophobicContact CB-CD2 4.48Å; I1583-L1585 HydrophobicContact CG2-CD2 4.19Å; I1583-L1585 PolarHBondContact O-N 3.34Å; L1585-T1587 PolarHBondContact O-N 2.88Å; L1585-L1589 HydrophobicContact CB-CD1 4.49Å; L1585-L1589 HydrophobicContact CD2-CD1 3.57Å; L1585-L1589 WeakPolarHBondContact O-CB 3.31Å
1586N59.2Low50.6Low89 Ų8986.9 Ų86.948%0.47646%0.456SS..Hα-helixtrans-70.9-24.7-178.4-59.42000114.5Q1368 K1584 H1590Q1368-N1586 PolarHBondContact NE2-OD1 2.91Å; K1584-N1586 PolarHBondContact O-N 3.22Å; K1584-N1586 VanDerWaalsContact O-N 3.13Å; N1586-H1590 PolarHBondContact O-CD2 3.44Å
1587T58Low48.6Very low89 Ų8993.5 Ų93.555%0.54649%0.493SS..Hα-helixtrans-104.5-40.3-176.957.90000112.5K1584 L1585K1584-T1587 VanDerWaalsContact CB-OG1 3.22Å; K1584-T1587 WeakPolarHBondContact CB-OG1 3.48Å; K1584-T1587 PolarHBondContact O-N 2.79Å; K1584-T1587 PolarHBondContact O-OG1 3.3Å; L1585-T1587 PolarHBondContact O-N 2.88Å
1588N57.6Low46.8Very low51 Ų5195.3 Ų95.327%0.27351%0.507SS..Hα-helixtrans-83.1-24.1-170-66.14.6000112.6S1465 Q1466 K1584S1465-N1588 PolarHBondContact O-ND2 3.48Å; Q1466-N1588 WeakPolarHBondContact CG-O 3.09Å; Q1466-N1588 PolarHBondContact NE2-O 2.89Å; K1584-N1588 PolarHBondContact O-N 3.4Å
1589L61Low45.1Very low11 Ų1194.8 Ų94.86%0.05850%0.504CS..SBendtrans-103-2.4-175.8-64.1170.8000113.9A1371 P1427 V1428 Q1466 V1468 L1585 V1591A1371-L1589 HydrophobicContact CB-CD1 3.46Å; A1371-L1589 VanDerWaalsContact CB-CD1 3.46Å; P1427-L1589 HydrophobicContact CB-CD2 3.83Å; P1427-L1589 HydrophobicContact CG-CD2 4.03Å; V1428-L1589 HydrophobicContact CG2-CB 4.01Å; V1428-L1589 HydrophobicContact CG2-CD1 4.33Å; V1428-L1589 HydrophobicContact CG2-CD2 4.36Å; V1428-L1589 HydrophobicContact CG2-CG 4.48Å; Q1466-L1589 HydrophobicContact CB-CD2 4.09Å; Q1466-L1589 WeakPolarHBondContact O-CD2 3.2Å; V1468-L1589 HydrophobicContact CG2-CD1 4.24Å; L1585-L1589 HydrophobicContact CB-CD1 4.49Å; L1585-L1589 HydrophobicContact CD2-CD1 3.57Å; L1585-L1589 WeakPolarHBondContact O-CB 3.31Å; L1589-V1591 PolarHBondContact O-N 3.27Å
1590H52.4Low43.7Very low117 Ų11798 Ų9854%0.54252%0.523SS..  trans-69.2122.5176.9-108.8-40.9000110.9N1586N1586-H1590 PolarHBondContact O-CD2 3.44Å
1591V48.6Very low42.6Very low55 Ų5598.3 Ų98.333%0.33352%0.519SS..  trans-126.682.4158.7-178.30000105.6F1363 P1427 L1589F1363-V1591 HydrophobicContact CD1-CB 4.23Å; F1363-V1591 WeakPolarHBondContact CD1-O 3.47Å; F1363-V1591 HydrophobicContact CE1-CB 3.75Å; F1363-V1591 HydrophobicContact CE1-CG1 3.8Å; P1427-V1591 HydrophobicContact CG-CG2 4.08Å; L1589-V1591 PolarHBondContact O-N 3.27Å
1592G39.3Very low41.7Very low29 Ų2998.5 Ų98.530%0.29952%0.522SS..  trans-68.1135.6169.100000108.7H1594 D1595G1592-H1594 PolarHBondContact O-N 3.44Å; G1592-D1595 PolarHBondContact O-N 2.96Å
1593I36Very low40.6Very low138 Ų13899.9 Ų99.971%0.70852%0.521SS*.THydrogen-bonded Turntrans-53.5-26.2172.8-64.9166000111
1594H31.3Very low39.3Very low176 Ų176105.7 Ų105.782%0.81555%0.553SS**THydrogen-bonded Turntrans-93.1-13.7177.8-75.4-63.9000115.6G1592 S1596G1592-H1594 PolarHBondContact O-N 3.44Å; H1594-S1596 PolarHBondContact O-N 3.49Å; H1594-S1596 VanDerWaalsContact O-N 3.14Å
1595D28.6Very low38Very low118 Ų118106.6 Ų106.663%0.63157%0.565SS**SBendtrans-93.962.6171.1-77.3-25000109.7G1592G1592-D1595 PolarHBondContact O-N 2.96Å
1596S27.9Very low36.8Very low47 Ų47112.7 Ų112.733%0.32960%0.598SS.*  trans48.794.1141.1-15.40000117.4H1594 V1598 H1599H1594-S1596 PolarHBondContact O-N 3.49Å; H1594-S1596 VanDerWaalsContact O-N 3.14Å; S1596-V1598 PolarHBondContact O-N 3.43Å; S1596-H1599 WeakPolarHBondContact OG-CB 3.45Å
1597L26.3Very low35.5Very low181 Ų181115.2 Ų115.295%0.94861%0.611SS**THydrogen-bonded Turntrans-56.13.2148.5-89159.4000113.8
1598V27.5Very low34.4Very low108 Ų108116.4 Ų116.466%0.65562%0.623SS**THydrogen-bonded Turntrans-146.3-27.6-179.6-176.30000116S1596S1596-V1598 PolarHBondContact O-N 3.43Å
1599H23.3Very low33.4Very low140 Ų140120.4 Ų120.465%0.64864%0.644SS**G310 helixtrans-88.4-13.5-164.1-122.7-61.5000117.1S1596 I1601S1596-H1599 WeakPolarHBondContact OG-CB 3.45Å; H1599-I1601 PolarHBondContact O-N 3.18Å
1600L24Very low32.2Very low135 Ų135125.2 Ų125.271%0.70767%0.67SS**G310 helixtrans-80.10.9170-106.1164.1000113.5H1602L1600-H1602 PolarHBondContact O-N 3.06Å
1601I28.6Very low31.9Very low132 Ų132123 Ų12368%0.67766%0.663SS**G310 helixtrans-68.3-11.5170.6-67.5177.1000111.7H1599H1599-I1601 PolarHBondContact O-N 3.18Å
1602H26.5Very low31.5Very low149 Ų149125 Ų12569%0.6966%0.664SS**SBendtrans-130.3-3.4-168.8-101.6-58.2000121.9L1600L1600-H1602 PolarHBondContact O-N 3.06Å
1603N25Very low31.7Very low122 Ų122126.3 Ų126.365%0.65267%0.673SS**SBendtrans-148.196.3178.5-75.6-43.7000114
1604N27.9Very low32.5Very low157 Ų157123.5 Ų123.584%0.8466%0.659SS**  16498.6128.4-86.7-16.7000109.9N1606N1604-N1606 PolarHBondContact O-N 3.29Å
1605D30.3Very low33.7Very low169 Ų169115.8 Ų115.890%0.90462%0.624SS**THydrogen-bonded Turntrans-7119.9-178.4-86-37.4000115.7
1606N33.5Very low35.1Very low154 Ų154114.3 Ų114.382%0.82462%0.619SS**THydrogen-bonded Turntrans-125.95-170-80.9-24.4000117.9N1604N1604-N1606 PolarHBondContact O-N 3.29Å
1607D32.2Very low36.9Very low141 Ų141117.2 Ų117.275%0.75463%0.631SS**  trans-117.393.6165.8-86.4-31.9000110.5N1609D1607-N1609 PolarHBondContact O-N 2.8Å
1608S34.3Very low38.8Very low114 Ų114108.8 Ų108.880%0.79759%0.588SS**THydrogen-bonded Turntrans-70.627.2-171.363.60000115.9
1609N36.9Very low40.7Very low135 Ų135111.6 Ų111.672%0.72259%0.591SS**THydrogen-bonded Turntrans-134.614.6-175.1-84.1-23.8000115.5D1607 D1611D1607-N1609 PolarHBondContact O-N 2.8Å; N1609-D1611 PolarHBondContact O-N 2.81Å; N1609-D1611 VanDerWaalsContact O-N 3.16Å
1610N36.9Very low43.1Very low112 Ų112107.6 Ų107.660%0.59958%0.577SS**  trans-83.188.7175.4-84.2-16.9000112Y1612 A1613N1610-Y1612 VanDerWaalsContact C-N 3.29Å; N1610-Y1612 PolarHBondContact O-N 3.48Å; N1610-Y1612 VanDerWaalsContact O-N 3.17Å; N1610-A1613 WeakPolarHBondContact O-CB 3.16Å; N1610-A1613 PolarHBondContact O-N 2.9Å; N1610-A1613 VanDerWaalsContact O-N 3.13Å
1611D44.7Very low45.5Very low72 Ų72101.3 Ų101.339%0.38554%0.543SS..THydrogen-bonded Turntrans-58.6-25.8-172.6-74.8-30000116.1N1609 A1613 N1614N1609-D1611 PolarHBondContact O-N 2.81Å; N1609-D1611 VanDerWaalsContact O-N 3.16Å; D1611-A1613 VanDerWaalsContact C-N 3.3Å; D1611-A1613 PolarHBondContact O-N 3.37Å; D1611-N1614 PolarHBondContact O-N 3.49Å
1612Y40.6Very low47.7Very low95 Ų9599.7 Ų99.737%0.37354%0.536SS..Hα-helixtrans-67.4-33.4177.4-135.5-66.7000111.9R1461 V1463 N1610 N1614R1461-Y1612 PolarHBondContact O-OH 3.45Å; V1463-Y1612 HydrophobicContact CB-CD2 4.06Å; V1463-Y1612 HydrophobicContact CB-CE2 4.03Å; V1463-Y1612 HydrophobicContact CG2-CD2 3.36Å; V1463-Y1612 HydrophobicContact CG2-CE2 3.11Å; V1463-Y1612 HydrophobicContact CG2-CG 4.21Å; N1610-Y1612 VanDerWaalsContact C-N 3.29Å; N1610-Y1612 PolarHBondContact O-N 3.48Å; N1610-Y1612 VanDerWaalsContact O-N 3.17Å; Y1612-N1614 PolarHBondContact O-N 3.31Å; Y1612-N1614 VanDerWaalsContact O-N 3.08Å
1613A43.9Very low50Low58 Ų5895.5 Ų95.548%0.47952%0.517SS..Hα-helixtrans-66.6-10.717900000112.6N1610 D1611 N1617N1610-A1613 WeakPolarHBondContact O-CB 3.16Å; N1610-A1613 PolarHBondContact O-N 2.9Å; N1610-A1613 VanDerWaalsContact O-N 3.13Å; D1611-A1613 VanDerWaalsContact C-N 3.3Å; D1611-A1613 PolarHBondContact O-N 3.37Å; A1613-N1617 PolarHBondContact O-ND2 3.42Å
1614N52Low52.4Low79 Ų7989.7 Ų89.742%0.42249%0.486SS..Hα-helixtrans-101.7-38.9-173.2-82.4-29.7000115.1D1611 Y1612 N1617 K1627D1611-N1614 PolarHBondContact O-N 3.49Å; Y1612-N1614 PolarHBondContact O-N 3.31Å; Y1612-N1614 VanDerWaalsContact O-N 3.08Å; N1614-N1617 PolarHBondContact O-N 2.94Å; N1614-K1627 HydrophobicContact CB-CD 4.28Å; N1614-K1627 WeakPolarHBondContact O-CD 3.41Å; N1614-K1627 VanDerWaalsContact O-CE 3.26Å; N1614-K1627 WeakPolarHBondContact O-CE 3.17Å; N1614-K1627 PolarHBondContact O-NZ 2.76Å
1615I56.2Low54.8Low13 Ų1382.6 Ų82.67%0.06745%0.448CS..Hα-helixtrans-68.4-42.5-174.8-62.1170.9000111.9P1503 N1617 A1618 K1627 A1628P1503-I1615 HydrophobicContact CB-CD1 4.1Å; P1503-I1615 HydrophobicContact CG-CD1 4.13Å; I1615-N1617 PolarHBondContact O-N 2.82Å; I1615-A1618 WeakPolarHBondContact O-CB 3.25Å; I1615-A1618 PolarHBondContact O-N 3.12Å; I1615-K1627 HydrophobicContact CG1-CB 3.71Å; I1615-A1628 HydrophobicContact CD1-CB 4.46Å
1616T58.5Low56.9Low87 Ų8780.9 Ų80.953%0.53444%0.438SS..THydrogen-bonded Turntrans-62.7-26.6178.5510000112.7A1618T1616-A1618 VanDerWaalsContact C-N 3.29Å
1617N65.2Low58.7Low108 Ų10876.2 Ų76.258%0.57841%0.41SS*.THydrogen-bonded Turntrans-82.4-0.4175.3-75.2-21.7000113.8A1613 N1614 I1615 K1619A1613-N1617 PolarHBondContact O-ND2 3.42Å; N1614-N1617 PolarHBondContact O-N 2.94Å; I1615-N1617 PolarHBondContact O-N 2.82Å; N1617-K1619 PolarHBondContact O-N 3.43Å
1618A66.7Low60.6Low4 Ų469.7 Ų69.73%0.03338%0.376CS..  trans-65.9129.5176.700000110.6V1555 I1615 T1616 E1623 A1624 K1627V1555-A1618 HydrophobicContact CG1-CB 3.87Å; V1555-A1618 VanDerWaalsContact CG1-O 3.31Å; V1555-A1618 WeakPolarHBondContact CG1-O 3.33Å; V1555-A1618 WeakPolarHBondContact CG2-O 3.21Å; I1615-A1618 WeakPolarHBondContact O-CB 3.25Å; I1615-A1618 PolarHBondContact O-N 3.12Å; T1616-A1618 VanDerWaalsContact C-N 3.29Å; A1618-E1623 HydrophobicContact CB-CB 4.2Å; A1618-E1623 HydrophobicContact CB-CG 4.22Å; A1618-A1624 HydrophobicContact CB-CB 3.92Å; A1618-K1627 HydrophobicContact CB-CD 4.17Å
1619K68Low62.3Low168 Ų16865.4 Ų65.473%0.7335%0.346SS*.  trans-93.1-19.4179.8-67.6-178.8-179.2176.20113.1N1617 E1623N1617-K1619 PolarHBondContact O-N 3.43Å; K1619-E1623 PolarHBondContact N-OE2 3.26Å
1620T72.5Confident64.4Low56 Ų5659.2 Ų59.234%0.34431%0.313SS..SBendtrans-131.7153.1-179.663.70000110.7N1622 E1623 A1624T1620-N1622 VanDerWaalsContact C-N 3.28Å; T1620-N1622 PolarHBondContact O-N 2.62Å; T1620-E1623 WeakPolarHBondContact O-CB 3.27Å; T1620-E1623 PolarHBondContact O-N 3.44Å; T1620-E1623 VanDerWaalsContact O-N 3.12Å; T1620-E1623 WeakPolarHBondContact OG1-CB 3.4Å; T1620-E1623 PolarHBondContact OG1-N 2.75Å; T1620-A1624 PolarHBondContact O-N 2.76Å; T1620-A1624 VanDerWaalsContact O-N 3.08Å
1621F75.7Confident66.6Low2 Ų256.2 Ų56.21%0.00930%0.295CS..Hα-helixtrans-56.5-40.4176.2-178.9-111.9000112.7I1499 F1506 V1555 D1556 G1557 D1561 I1562 L1565 E1623 A1624 I1625I1499-F1621 HydrophobicContact CG2-CD2 4.23Å; I1499-F1621 HydrophobicContact CG2-CE2 4.09Å; F1506-F1621 HydrophobicContact CZ-CE2 4.3Å; F1506-F1621 HydrophobicContact CZ-CZ 4.22Å; V1555-F1621 WeakPolarHBondContact O-CD2 3.11Å; D1556-F1621 VanDerWaalsContact C-CD2 3.47Å; D1556-F1621 WeakPolarHBondContact O-CE2 3.12Å; G1557-F1621 VanDerWaalsContact N-CD2 3.28Å; D1561-F1621 HydrophobicContact CB-CD1 3.7Å; D1561-F1621 HydrophobicContact CB-CE1 3.76Å; D1561-F1621 HydrophobicContact CB-CG 4.36Å; D1561-F1621 HydrophobicContact CB-CZ 4.5Å; I1562-F1621 HydrophobicContact CG1-CZ 4.21Å; L1565-F1621 HydrophobicContact CB-CE1 4.14Å; L1565-F1621 HydrophobicContact CB-CZ 4.42Å; L1565-F1621 HydrophobicContact CD2-CE1 4.38Å; L1565-F1621 HydrophobicContact CD2-CZ 3.99Å; F1621-E1623 VanDerWaalsContact C-N 3.32Å; F1621-E1623 PolarHBondContact O-N 3.29Å; F1621-A1624 WeakPolarHBondContact O-CB 3.45Å; F1621-A1624 PolarHBondContact O-N 3.34Å; F1621-A1624 VanDerWaalsContact O-N 3.17Å; F1621-I1625 HydrophobicContact CD1-CD1 3.55Å; F1621-I1625 HydrophobicContact CD1-CG1 4.45Å; F1621-I1625 HydrophobicContact CE1-CD1 3.38Å; F1621-I1625 HydrophobicContact CE1-CG1 4.25Å; F1621-I1625 HydrophobicContact CG-CD1 4.26Å; F1621-I1625 HydrophobicContact CZ-CD1 3.94Å; F1621-I1625 HydrophobicContact CZ-CG1 4.37Å; F1621-I1625 WeakPolarHBondContact O-CG1 3.36Å; F1621-I1625 PolarHBondContact O-N 3.21Å
1622N74.9Confident68.4Low98 Ų9855 Ų5552%0.52429%0.292SS..Hα-helixtrans-63.3-36.9177-70.5-32.5000112.8T1620 I1625 L1626T1620-N1622 VanDerWaalsContact C-N 3.28Å; T1620-N1622 PolarHBondContact O-N 2.62Å; N1622-I1625 PolarHBondContact O-N 2.89Å; N1622-L1626 WeakPolarHBondContact O-CG 3.37Å; N1622-L1626 PolarHBondContact O-N 2.77Å
1623E73.9Confident70.4Confident62 Ų6253 Ų5329%0.2928%0.284SS..Hα-helixtrans-67.4-39.1174.7-167.1-169.3162.400111.3A1618 K1619 T1620 F1621 I1625 L1626 K1627A1618-E1623 HydrophobicContact CB-CB 4.2Å; A1618-E1623 HydrophobicContact CB-CG 4.22Å; K1619-E1623 PolarHBondContact N-OE2 3.26Å; T1620-E1623 WeakPolarHBondContact O-CB 3.27Å; T1620-E1623 PolarHBondContact O-N 3.44Å; T1620-E1623 VanDerWaalsContact O-N 3.12Å; T1620-E1623 WeakPolarHBondContact OG1-CB 3.4Å; T1620-E1623 PolarHBondContact OG1-N 2.75Å; F1621-E1623 VanDerWaalsContact C-N 3.32Å; F1621-E1623 PolarHBondContact O-N 3.29Å; E1623-I1625 VanDerWaalsContact C-N 3.35Å; E1623-I1625 PolarHBondContact O-N 3.5Å; E1623-L1626 PolarHBondContact O-N 3.31Å; E1623-K1627 HydrophobicContact CG-CD 4.14Å; E1623-K1627 WeakPolarHBondContact O-CB 3.4Å; E1623-K1627 WeakPolarHBondContact O-CG 3.03Å; E1623-K1627 PolarHBondContact O-N 3.1Å; E1623-K1627 VanDerWaalsContact OE1-CE 3.3Å; E1623-K1627 WeakPolarHBondContact OE1-CE 3.37Å; E1623-K1627 IonicContact OE1-NZ 2.72Å; E1623-K1627 PolarHBondContact OE1-NZ 3.48Å
1624A76.7Confident72Confident0 Ų055.7 Ų55.70%029%0.291CS..Hα-helixtrans-63.1-39.4175.400000112.1I1499 V1555 A1618 T1620 F1621 K1627 A1628I1499-A1624 HydrophobicContact CD1-CB 4.48Å; I1499-A1624 HydrophobicContact CG2-CB 3.9Å; V1555-A1624 HydrophobicContact CG1-CB 4.05Å; A1618-A1624 HydrophobicContact CB-CB 3.92Å; T1620-A1624 PolarHBondContact O-N 2.76Å; T1620-A1624 VanDerWaalsContact O-N 3.08Å; F1621-A1624 WeakPolarHBondContact O-CB 3.45Å; F1621-A1624 PolarHBondContact O-N 3.34Å; F1621-A1624 VanDerWaalsContact O-N 3.17Å; A1624-K1627 PolarHBondContact O-N 2.66Å; A1624-A1628 WeakPolarHBondContact O-CB 3.46Å; A1624-A1628 PolarHBondContact O-N 3.05Å
1625I77.8Confident72.9Confident7 Ų756.4 Ų56.44%0.03630%0.298CS..Hα-helixtrans-60.5-48175.1-68.9160.2000111.5I1499 L1565 F1621 N1622 E1623 K1627 A1628 S1629 I1630I1499-I1625 HydrophobicContact CD1-CB 4.3Å; I1499-I1625 HydrophobicContact CD1-CG1 3.74Å; L1565-I1625 HydrophobicContact CB-CD1 4.43Å; L1565-I1625 HydrophobicContact CD1-CD1 3.74Å; L1565-I1625 HydrophobicContact CD1-CG1 4.17Å; L1565-I1625 HydrophobicContact CD1-CG2 4.02Å; L1565-I1625 HydrophobicContact CD2-CD1 4.06Å; L1565-I1625 HydrophobicContact CD2-CG1 4.14Å; L1565-I1625 HydrophobicContact CG-CD1 4.28Å; F1621-I1625 HydrophobicContact CD1-CD1 3.55Å; F1621-I1625 HydrophobicContact CD1-CG1 4.45Å; F1621-I1625 HydrophobicContact CE1-CD1 3.38Å; F1621-I1625 HydrophobicContact CE1-CG1 4.25Å; F1621-I1625 HydrophobicContact CG-CD1 4.26Å; F1621-I1625 HydrophobicContact CZ-CD1 3.94Å; F1621-I1625 HydrophobicContact CZ-CG1 4.37Å; F1621-I1625 WeakPolarHBondContact O-CG1 3.36Å; F1621-I1625 PolarHBondContact O-N 3.21Å; N1622-I1625 PolarHBondContact O-N 2.89Å; E1623-I1625 VanDerWaalsContact C-N 3.35Å; E1623-I1625 PolarHBondContact O-N 3.5Å; I1625-K1627 VanDerWaalsContact C-N 3.34Å; I1625-K1627 PolarHBondContact O-N 3.11Å; I1625-A1628 PolarHBondContact O-N 3.39Å; I1625-S1629 PolarHBondContact O-N 3.46Å; I1625-I1630 HydrophobicContact CG2-CB 3.75Å; I1625-I1630 HydrophobicContact CG2-CG2 3.94Å; I1625-I1630 PolarHBondContact O-N 2.84Å; I1625-I1630 VanDerWaalsContact O-N 3.17Å
1626L73.4Confident73.7Confident133 Ų13362.8 Ų62.870%0.69633%0.332SS*.Hα-helixtrans-62.6-43.3179.1-71.7171000111.2N1622 E1623 S1629N1622-L1626 WeakPolarHBondContact O-CG 3.37Å; N1622-L1626 PolarHBondContact O-N 2.77Å; E1623-L1626 PolarHBondContact O-N 3.31Å; L1626-S1629 PolarHBondContact O-N 3.04Å; L1626-S1629 VanDerWaalsContact O-N 3.14Å
1627K71.3Confident74.7Confident57 Ų5762.6 Ų62.625%0.24833%0.331CS..Hα-helixtrans-70-32.1177.9-70.4172162178.60112.9N1614 I1615 A1618 E1623 A1624 I1625 S1629N1614-K1627 HydrophobicContact CB-CD 4.28Å; N1614-K1627 WeakPolarHBondContact O-CD 3.41Å; N1614-K1627 VanDerWaalsContact O-CE 3.26Å; N1614-K1627 WeakPolarHBondContact O-CE 3.17Å; N1614-K1627 PolarHBondContact O-NZ 2.76Å; I1615-K1627 HydrophobicContact CG1-CB 3.71Å; A1618-K1627 HydrophobicContact CB-CD 4.17Å; E1623-K1627 HydrophobicContact CG-CD 4.14Å; E1623-K1627 WeakPolarHBondContact O-CB 3.4Å; E1623-K1627 WeakPolarHBondContact O-CG 3.03Å; E1623-K1627 PolarHBondContact O-N 3.1Å; E1623-K1627 VanDerWaalsContact OE1-CE 3.3Å; E1623-K1627 WeakPolarHBondContact OE1-CE 3.37Å; E1623-K1627 IonicContact OE1-NZ 2.72Å; E1623-K1627 PolarHBondContact OE1-NZ 3.48Å; A1624-K1627 PolarHBondContact O-N 2.66Å; I1625-K1627 VanDerWaalsContact C-N 3.34Å; I1625-K1627 PolarHBondContact O-N 3.11Å; K1627-S1629 PolarHBondContact O-N 2.7Å; K1627-S1629 VanDerWaalsContact O-N 3.13Å
1628A71.8Confident75.3Confident3 Ų357.8 Ų57.83%0.02531%0.305CS..THydrogen-bonded Turntrans-72.96.7171.300000113.4I1499 P1503 I1615 A1624 I1625 I1630I1499-A1628 HydrophobicContact CD1-CB 3.83Å; I1499-A1628 HydrophobicContact CG1-CB 3.84Å; P1503-A1628 HydrophobicContact CB-CB 4.23Å; I1615-A1628 HydrophobicContact CD1-CB 4.46Å; A1624-A1628 WeakPolarHBondContact O-CB 3.46Å; A1624-A1628 PolarHBondContact O-N 3.05Å; I1625-A1628 PolarHBondContact O-N 3.39Å; A1628-I1630 VanDerWaalsContact C-N 3.32Å; A1628-I1630 HydrophobicContact CB-CD1 4.27Å; A1628-I1630 HydrophobicContact CB-CG1 4.28Å; A1628-I1630 PolarHBondContact O-N 3.28Å
1629S71.8Confident76.1Confident25 Ų2559.1 Ų59.118%0.17531%0.313CS..THydrogen-bonded Turntrans60.636.8177.7-66.70000113.7N1573 W1576 I1625 L1626 K1627N1573-S1629 VanDerWaalsContact CB-O 3.23Å; N1573-S1629 WeakPolarHBondContact CB-O 3.45Å; N1573-S1629 PolarHBondContact N-O 2.91Å; W1576-S1629 PolarHBondContact NE1-OG 3.04Å; I1625-S1629 PolarHBondContact O-N 3.46Å; L1626-S1629 PolarHBondContact O-N 3.04Å; L1626-S1629 VanDerWaalsContact O-N 3.14Å; K1627-S1629 PolarHBondContact O-N 2.7Å; K1627-S1629 VanDerWaalsContact O-N 3.13Å
1630I81Confident76.6Confident5 Ų559.1 Ų59.13%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-98.5119.7175.8-60.4177.4000109.4I1499 F1506 L1507 L1565 Y1569 I1625 A1628I1499-I1630 HydrophobicContact CD1-CD1 4.05Å; F1506-I1630 HydrophobicContact CD1-CD1 4.18Å; F1506-I1630 HydrophobicContact CE1-CD1 4.33Å; L1507-I1630 HydrophobicContact CD1-CD1 4.44Å; L1507-I1630 HydrophobicContact CD1-CG1 4.02Å; L1565-I1630 HydrophobicContact CD1-CG2 4.4Å; Y1569-I1630 HydrophobicContact CD2-CG2 3.6Å; Y1569-I1630 HydrophobicContact CE2-CG2 3.7Å; I1625-I1630 HydrophobicContact CG2-CB 3.75Å; I1625-I1630 HydrophobicContact CG2-CG2 3.94Å; I1625-I1630 PolarHBondContact O-N 2.84Å; I1625-I1630 VanDerWaalsContact O-N 3.17Å; A1628-I1630 VanDerWaalsContact C-N 3.32Å; A1628-I1630 HydrophobicContact CB-CD1 4.27Å; A1628-I1630 HydrophobicContact CB-CG1 4.28Å; A1628-I1630 PolarHBondContact O-N 3.28Å
1631E82.4Confident76.9Confident48 Ų4861.6 Ų61.622%0.22432%0.321CS..EExtended strand (participates in β ladder)trans-82.7130.2173.5-67.6179.1-160.600110.5K1570 Q1571 N1573 K1574K1570-E1631 HydrophobicContact CB-CB 4.34Å; K1570-E1631 VanDerWaalsContact CB-O 3.27Å; K1570-E1631 WeakPolarHBondContact CB-O 3.45Å; K1570-E1631 HydrophobicContact CD-CB 4.42Å; K1570-E1631 PolarHBondContact N-O 2.94Å; K1570-E1631 IonicContact NZ-OE2 3.61Å; Q1571-E1631 HydrophobicContact CG-CB 4.18Å; Q1571-E1631 PolarHBondContact N-O 2.98Å; Q1571-E1631 PolarHBondContact NE2-OE2 2.7Å; Q1571-E1631 WeakPolarHBondContact O-CB 3.19Å; Q1571-E1631 PolarHBondContact O-N 2.93Å; N1573-E1631 WeakPolarHBondContact CA-OE1 3.34Å; K1574-E1631 PolarHBondContact N-OE1 3Å
1632C83Confident77.1Confident48 Ų4861.7 Ų61.732%0.32432%0.321SS..EExtended strand (participates in β ladder)trans-117.4151.9173.4-64.10000110.8L1565 F1568L1565-C1632 WeakPolarHBondContact CD1-SG 3.41Å; F1568-C1632 HydrophobicContact CB-CB 4.19Å; F1568-C1632 CarbonylContact O-C 3.52Å; F1568-C1632 VanDerWaalsContact O-CA 3.25Å; F1568-C1632 WeakPolarHBondContact O-CA 3.43Å
1633Y81.8Confident77.1Confident53 Ų5360.7 Ų60.721%0.20831%0.313CS..  trans-71.9138167.5-67.9-77000110F1568 K1570 L1638 P1639F1568-Y1633 WeakPolarHBondContact CD1-O 3.02Å; F1568-Y1633 WeakPolarHBondContact O-CD2 3.27Å; F1568-Y1633 PolarHBondContact O-N 2.72Å; K1570-Y1633 HydrophobicContact CB-CD2 3.84Å; K1570-Y1633 HydrophobicContact CB-CE1 4.47Å; K1570-Y1633 HydrophobicContact CB-CE2 3.65Å; K1570-Y1633 HydrophobicContact CB-CG 4.33Å; K1570-Y1633 HydrophobicContact CD-CD1 4.25Å; K1570-Y1633 HydrophobicContact CD-CE1 3.96Å; K1570-Y1633 HydrophobicContact CG-CD1 4.39Å; K1570-Y1633 HydrophobicContact CG-CD2 4.26Å; K1570-Y1633 HydrophobicContact CG-CE1 3.88Å; K1570-Y1633 HydrophobicContact CG-CE2 3.73Å; Y1633-L1638 HydrophobicContact CD2-CD1 4.01Å; Y1633-L1638 HydrophobicContact CG-CD1 4.13Å; Y1633-P1639 HydrophobicContact CD1-CG 4.36Å; Y1633-P1639 HydrophobicContact CE1-CG 3.8Å; Y1633-P1639 HydrophobicContact CE2-CG 4.21Å
1634N77.4Confident77.2Confident114 Ų11462 Ų6261%0.6132%0.321SS*.  trans-67.4153.9163.2-64.1-17.8000109.3D1636 T1637 L1638N1634-D1636 PolarHBondContact O-N 2.89Å; N1634-D1636 VanDerWaalsContact O-N 3.1Å; N1634-T1637 WeakPolarHBondContact CA-OG1 3.46Å; N1634-T1637 HydrophobicContact CB-CG2 4.33Å; N1634-T1637 WeakPolarHBondContact CB-OG1 3.37Å; N1634-T1637 PolarHBondContact N-OG1 3.5Å; N1634-T1637 CarbonylContact O-C 3.55Å; N1634-T1637 PolarHBondContact O-N 3.13Å; N1634-T1637 PolarHBondContact O-OG1 3.29Å; N1634-L1638 PolarHBondContact O-N 3.44Å
1635T70.3Confident77.3Confident94 Ų9462.1 Ų62.158%0.57732%0.322SS*.G310 helixtrans-48-41.5178.348.90000112.5F1568F1568-T1635 HydrophobicContact CE1-CG2 4.16Å; F1568-T1635 HydrophobicContact CZ-CG2 4.21Å
1636D73.5Confident77.2Confident147 Ų14762.6 Ų62.679%0.78632%0.324SS*.G310 helixtrans-80.1-25-175.2-52-15.2000112.3N1634N1634-D1636 PolarHBondContact O-N 2.89Å; N1634-D1636 VanDerWaalsContact O-N 3.1Å
1637T78.8Confident77.2Confident82 Ų8259.9 Ų59.950%0.50331%0.31SS..G310 helixtrans-96.41.2-179.262.60000113.4N1634 P1639N1634-T1637 WeakPolarHBondContact CA-OG1 3.46Å; N1634-T1637 HydrophobicContact CB-CG2 4.33Å; N1634-T1637 WeakPolarHBondContact CB-OG1 3.37Å; N1634-T1637 PolarHBondContact N-OG1 3.5Å; N1634-T1637 CarbonylContact O-C 3.55Å; N1634-T1637 PolarHBondContact O-N 3.13Å; N1634-T1637 PolarHBondContact O-OG1 3.29Å; T1637-P1639 WeakPolarHBondContact O-CD 3.31Å
1638L78.9Confident77.5Confident8 Ų861.3 Ų61.34%0.04232%0.317CS..SBendtrans-64.5123.8-178.9-169.972.6000109.6R1567 F1568 Y1633 N1634 K1640 R1642 Q1643R1567-L1638 HydrophobicContact CG-CD2 4.33Å; F1568-L1638 HydrophobicContact CD1-CD1 3.9Å; F1568-L1638 HydrophobicContact CD1-CD2 4.42Å; F1568-L1638 HydrophobicContact CE1-CD1 4.36Å; F1568-L1638 HydrophobicContact CE1-CD2 4.08Å; Y1633-L1638 HydrophobicContact CD2-CD1 4.01Å; Y1633-L1638 HydrophobicContact CG-CD1 4.13Å; N1634-L1638 PolarHBondContact O-N 3.44Å; L1638-K1640 PolarHBondContact O-N 2.83Å; L1638-R1642 HydrophobicContact CD1-CB 4.18Å; L1638-R1642 HydrophobicContact CD2-CB 4.32Å; L1638-R1642 HydrophobicContact CG-CB 4.07Å; L1638-Q1643 HydrophobicContact CB-CG 4.17Å; L1638-Q1643 HydrophobicContact CD2-CG 3.78Å; L1638-Q1643 HydrophobicContact CG-CG 4.1Å; L1638-Q1643 PolarHBondContact O-NE2 3.07Å
1639P82.3Confident77.5Confident31 Ų3161.9 Ų61.920%0.20132%0.32CS..  trans-56.8141.1-178.5-26.934.6000112.8Y1633 T1637 H1641 R1642 Q1643Y1633-P1639 HydrophobicContact CD1-CG 4.36Å; Y1633-P1639 HydrophobicContact CE1-CG 3.8Å; Y1633-P1639 HydrophobicContact CE2-CG 4.21Å; T1637-P1639 WeakPolarHBondContact O-CD 3.31Å; P1639-H1641 VanDerWaalsContact CB-CE1 3.4Å; P1639-H1641 WeakPolarHBondContact CB-CE1 3.43Å; P1639-H1641 WeakPolarHBondContact CB-ND1 3.45Å; P1639-H1641 PolarHBondContact O-N 3.36Å; P1639-H1641 VanDerWaalsContact O-N 3.15Å; P1639-R1642 HydrophobicContact CB-CG 4.43Å; P1639-R1642 WeakPolarHBondContact O-CA 3.32Å; P1639-R1642 WeakPolarHBondContact O-CB 3.48Å; P1639-R1642 PolarHBondContact O-N 2.89Å; P1639-Q1643 PolarHBondContact O-N 2.79Å; P1639-Q1643 VanDerWaalsContact O-N 3.11Å
1640K78.5Confident77.6Confident168 Ų16862.3 Ų62.373%0.7332%0.319SS*.Hα-helixtrans-51.7-41.2-179-72-174.8178.3-1800113.3L1638 R1642 Q1643 L1644L1638-K1640 PolarHBondContact O-N 2.83Å; K1640-R1642 PolarHBondContact O-N 2.84Å; K1640-Q1643 PolarHBondContact O-N 2.9Å; K1640-L1644 PolarHBondContact O-N 3.36Å; K1640-L1644 VanDerWaalsContact O-N 3.1Å
1641H80.3Confident77Confident108 Ų10869.1 Ų69.150%0.535%0.348SS..Hα-helixtrans-59.6-31.6177.973.9-92.7000112.4P1639 Y1645P1639-H1641 VanDerWaalsContact CB-CE1 3.4Å; P1639-H1641 WeakPolarHBondContact CB-CE1 3.43Å; P1639-H1641 WeakPolarHBondContact CB-ND1 3.45Å; P1639-H1641 PolarHBondContact O-N 3.36Å; P1639-H1641 VanDerWaalsContact O-N 3.15Å; H1641-Y1645 WeakPolarHBondContact O-CB 3.47Å; H1641-Y1645 PolarHBondContact O-N 3.38Å; H1641-Y1645 VanDerWaalsContact O-N 3.15Å
1642R79.2Confident75.8Confident5 Ų572.9 Ų72.92%0.01936%0.36CS..Hα-helixtrans-82.4-33.7176.5-61.5-162.5168.1-150.50.7113.6N1514 Y1518 R1567 Y1569 L1638 P1639 K1640 L1644N1514-R1642 PolarHBondContact ND2-NH1 3.14Å; N1514-R1642 PolarHBondContact OD1-NH2 3.27Å; Y1518-R1642 HydrophobicContact CD1-CB 4.49Å; Y1518-R1642 HydrophobicContact CD1-CG 3.9Å; Y1518-R1642 HydrophobicContact CE1-CB 3.84Å; Y1518-R1642 HydrophobicContact CE1-CG 3.69Å; R1567-R1642 PolarHBondContact O-NH1 2.81Å; Y1569-R1642 PolarHBondContact O-NH1 3.31Å; L1638-R1642 HydrophobicContact CD1-CB 4.18Å; L1638-R1642 HydrophobicContact CD2-CB 4.32Å; L1638-R1642 HydrophobicContact CG-CB 4.07Å; P1639-R1642 HydrophobicContact CB-CG 4.43Å; P1639-R1642 WeakPolarHBondContact O-CA 3.32Å; P1639-R1642 WeakPolarHBondContact O-CB 3.48Å; P1639-R1642 PolarHBondContact O-N 2.89Å; K1640-R1642 PolarHBondContact O-N 2.84Å; R1642-L1644 VanDerWaalsContact C-N 3.28Å; R1642-L1644 PolarHBondContact O-N 3.43Å
1643Q74.9Confident74.4Confident76 Ų7672.5 Ų72.536%0.35536%0.355SS..Hα-helixtrans-61.4-40174.8-69.8177.4-4.400111.3L1638 P1639 K1640L1638-Q1643 HydrophobicContact CB-CG 4.17Å; L1638-Q1643 HydrophobicContact CD2-CG 3.78Å; L1638-Q1643 HydrophobicContact CG-CG 4.1Å; L1638-Q1643 PolarHBondContact O-NE2 3.07Å; P1639-Q1643 PolarHBondContact O-N 2.79Å; P1639-Q1643 VanDerWaalsContact O-N 3.11Å; K1640-Q1643 PolarHBondContact O-N 2.9Å
1644L75.5Confident73Confident89 Ų8975.4 Ų75.447%0.46637%0.374SS..Hα-helixtrans-87.2-25-178.2-65.7172.5000114K1640 R1642 W1646 N1647 E1648K1640-L1644 PolarHBondContact O-N 3.36Å; K1640-L1644 VanDerWaalsContact O-N 3.1Å; R1642-L1644 VanDerWaalsContact C-N 3.28Å; R1642-L1644 PolarHBondContact O-N 3.43Å; L1644-W1646 PolarHBondContact O-N 2.97Å; L1644-N1647 WeakPolarHBondContact O-CB 3.47Å; L1644-N1647 PolarHBondContact O-N 2.98Å; L1644-E1648 PolarHBondContact O-N 3.28Å
1645Y80Confident71.7Confident3 Ų376.6 Ų76.61%0.01238%0.379CS..Hα-helixtrans-43.8-56.8-174.4176-95.5000114.5L1517 Y1518 W1523 H1641 N1647 E1648 L1649L1517-Y1645 WeakPolarHBondContact O-CE2 3.36Å; L1517-Y1645 PolarHBondContact O-OH 3.14Å; Y1518-Y1645 HydrophobicContact CD1-CD1 4.12Å; Y1518-Y1645 AromaticContact CD1-CD2 3.67Å; Y1518-Y1645 HydrophobicContact CD1-CD2 3.67Å; Y1518-Y1645 HydrophobicContact CD1-CE2 4.07Å; Y1518-Y1645 AromaticContact CD1-CG 3.7Å; Y1518-Y1645 HydrophobicContact CD1-CG 3.7Å; Y1518-Y1645 AromaticContact CE1-CD1 3.59Å; Y1518-Y1645 HydrophobicContact CE1-CD1 3.59Å; Y1518-Y1645 AromaticContact CE1-CD2 3.92Å; Y1518-Y1645 HydrophobicContact CE1-CD2 3.92Å; Y1518-Y1645 HydrophobicContact CE1-CE1 4.25Å; Y1518-Y1645 HydrophobicContact CE1-CE2 4.49Å; Y1518-Y1645 AromaticContact CE1-CG 3.42Å; Y1518-Y1645 HydrophobicContact CE1-CG 3.42Å; Y1518-Y1645 VanDerWaalsContact CE1-CG 3.42Å; W1523-Y1645 AromaticContact CD1-CE2 3.92Å; W1523-Y1645 HydrophobicContact CZ2-CD2 4.19Å; W1523-Y1645 HydrophobicContact CZ2-CE2 4.47Å; W1523-Y1645 AromaticContact NE1-CD2 3.92Å; W1523-Y1645 AromaticContact NE1-CE2 3.37Å; H1641-Y1645 WeakPolarHBondContact O-CB 3.47Å; H1641-Y1645 PolarHBondContact O-N 3.38Å; H1641-Y1645 VanDerWaalsContact O-N 3.15Å; Y1645-N1647 PolarHBondContact O-N 3.03Å; Y1645-E1648 PolarHBondContact O-N 3.19Å; Y1645-L1649 HydrophobicContact CD1-CD1 4.07Å; Y1645-L1649 HydrophobicContact CD2-CD1 3.88Å; Y1645-L1649 HydrophobicContact CE1-CD1 3.58Å; Y1645-L1649 HydrophobicContact CE2-CD1 3.4Å; Y1645-L1649 HydrophobicContact CG-CD1 4.19Å; Y1645-L1649 PolarHBondContact O-N 3.23Å; Y1645-L1649 WeakPolarHBondContact OH-CD1 3.25Å
1646W75.2Confident70.6Confident18 Ų1881 Ų817%0.06839%0.39CS..Hα-helixtrans-66.3-39.4-177.6-67.9107.6000111.8Y1518 F1531 V1532 L1644 E1648 L1649 F1650Y1518-W1646 PolarHBondContact OH-NE1 2.67Å; F1531-W1646 AromaticContact CD1-CH2 3.97Å; F1531-W1646 HydrophobicContact CD1-CH2 3.97Å; F1531-W1646 AromaticContact CE1-CH2 3.88Å; F1531-W1646 HydrophobicContact CE1-CH2 3.88Å; V1532-W1646 HydrophobicContact CG2-CZ3 3.95Å; L1644-W1646 PolarHBondContact O-N 2.97Å; W1646-E1648 VanDerWaalsContact C-N 3.33Å; W1646-E1648 PolarHBondContact O-N 3.38Å; W1646-L1649 PolarHBondContact O-N 2.96Å; W1646-F1650 HydrophobicContact CB-CD2 4.19Å; W1646-F1650 HydrophobicContact CB-CE2 3.94Å; W1646-F1650 HydrophobicContact CE3-CE2 4.25Å; W1646-F1650 HydrophobicContact CE3-CZ 4.22Å; W1646-F1650 WeakPolarHBondContact O-CB 3.45Å; W1646-F1650 WeakPolarHBondContact O-CD2 3.5Å; W1646-F1650 VanDerWaalsContact O-CG 3.28Å; W1646-F1650 WeakPolarHBondContact O-CG 3.31Å; W1646-F1650 PolarHBondContact O-N 3.49Å
1647N74.2Confident68.9Low76 Ų7685.1 Ų85.141%0.40640%0.401SS..Hα-helixtrans-63.3-40.2177-68.7-22.3000111.6L1644 Y1645 K1651L1644-N1647 WeakPolarHBondContact O-CB 3.47Å; L1644-N1647 PolarHBondContact O-N 2.98Å; Y1645-N1647 PolarHBondContact O-N 3.03Å; N1647-K1651 WeakPolarHBondContact O-CB 3.43Å; N1647-K1651 WeakPolarHBondContact O-CG 3.46Å; N1647-K1651 PolarHBondContact O-N 3.38Å
1648E76.7Confident68.4Low86 Ų8685.3 Ų85.340%0.40240%0.396SS..Hα-helixtrans-67.1-44.8176.9-72.5-176.917800112.1W1523 L1644 Y1645 W1646 K1651 R1652W1523-E1648 WeakPolarHBondContact CH2-OE2 3.42Å; L1644-E1648 PolarHBondContact O-N 3.28Å; Y1645-E1648 PolarHBondContact O-N 3.19Å; W1646-E1648 VanDerWaalsContact C-N 3.33Å; W1646-E1648 PolarHBondContact O-N 3.38Å; E1648-K1651 PolarHBondContact O-N 3.23Å; E1648-R1652 PolarHBondContact O-N 3.11Å
1649L72.8Confident67.8Low15 Ų1589.3 Ų89.38%0.07941%0.414CS..Hα-helixtrans-64.7-42.9176.4-99.7126.1000112.5W1523 T1528 V1532 Y1645 W1646 K1651 R1652 D1653W1523-L1649 HydrophobicContact CG-CD1 4.47Å; T1528-L1649 HydrophobicContact CG2-CD2 3.67Å; V1532-L1649 HydrophobicContact CG2-CB 4.48Å; V1532-L1649 HydrophobicContact CG2-CD2 3.71Å; Y1645-L1649 HydrophobicContact CD1-CD1 4.07Å; Y1645-L1649 HydrophobicContact CD2-CD1 3.88Å; Y1645-L1649 HydrophobicContact CE1-CD1 3.58Å; Y1645-L1649 HydrophobicContact CE2-CD1 3.4Å; Y1645-L1649 HydrophobicContact CG-CD1 4.19Å; Y1645-L1649 PolarHBondContact O-N 3.23Å; Y1645-L1649 WeakPolarHBondContact OH-CD1 3.25Å; W1646-L1649 PolarHBondContact O-N 2.96Å; L1649-K1651 VanDerWaalsContact C-N 3.35Å; L1649-K1651 PolarHBondContact O-N 3.35Å; L1649-R1652 PolarHBondContact O-N 3.35Å; L1649-D1653 PolarHBondContact O-N 3.4Å
1650F72.5Confident67Low35 Ų3592.6 Ų92.615%0.15443%0.426CS..Hα-helixtrans-65.9-35.8176.5-71.2-49.5000112.7V1532 C1535 K1536 T1542 W1646V1532-F1650 HydrophobicContact CG1-CD1 3.67Å; V1532-F1650 HydrophobicContact CG1-CE1 3.46Å; V1532-F1650 VanDerWaalsContact CG1-CE1 3.46Å; V1532-F1650 HydrophobicContact CG1-CZ 4.42Å; C1535-F1650 HydrophobicContact CB-CZ 4.4Å; K1536-F1650 HydrophobicContact CD-CD1 4.35Å; K1536-F1650 HydrophobicContact CD-CE1 4.24Å; K1536-F1650 HydrophobicContact CG-CD1 4.06Å; K1536-F1650 HydrophobicContact CG-CE1 3.49Å; K1536-F1650 VanDerWaalsContact CG-CE1 3.49Å; K1536-F1650 HydrophobicContact CG-CZ 4.4Å; T1542-F1650 HydrophobicContact CG2-CE2 3.8Å; T1542-F1650 HydrophobicContact CG2-CZ 3.98Å; W1646-F1650 HydrophobicContact CB-CD2 4.19Å; W1646-F1650 HydrophobicContact CB-CE2 3.94Å; W1646-F1650 HydrophobicContact CE3-CE2 4.25Å; W1646-F1650 HydrophobicContact CE3-CZ 4.22Å; W1646-F1650 WeakPolarHBondContact O-CB 3.45Å; W1646-F1650 WeakPolarHBondContact O-CD2 3.5Å; W1646-F1650 VanDerWaalsContact O-CG 3.28Å; W1646-F1650 WeakPolarHBondContact O-CG 3.31Å; W1646-F1650 PolarHBondContact O-N 3.49Å
1651K68.4Low66.3Low148 Ų14888.1 Ų88.164%0.64341%0.408SS*.Hα-helixtrans-67.8-39.8175.7-79177.3-179.7-174.30112.5N1647 E1648 L1649 D1653 N1654N1647-K1651 WeakPolarHBondContact O-CB 3.43Å; N1647-K1651 WeakPolarHBondContact O-CG 3.46Å; N1647-K1651 PolarHBondContact O-N 3.38Å; E1648-K1651 PolarHBondContact O-N 3.23Å; L1649-K1651 VanDerWaalsContact C-N 3.35Å; L1649-K1651 PolarHBondContact O-N 3.35Å; K1651-D1653 PolarHBondContact O-N 3.24Å; K1651-N1654 WeakPolarHBondContact O-CB 3.46Å; K1651-N1654 PolarHBondContact O-N 3.26Å; K1651-N1654 VanDerWaalsContact O-N 3.14Å
1652R58Low65.5Low126 Ų12686.9 Ų86.948%0.47540%0.403SS..Hα-helixtrans-64.4-37.1179.5-82.8-175.6174.4-173.81.3113.5E1648 L1649 N1654 I1655 K1656E1648-R1652 PolarHBondContact O-N 3.11Å; L1649-R1652 PolarHBondContact O-N 3.35Å; R1652-N1654 PolarHBondContact O-N 3.19Å; R1652-I1655 PolarHBondContact O-N 3.29Å; R1652-K1656 PolarHBondContact O-N 3.06Å
1653D52.8Low64.6Low40 Ų4092.3 Ų92.321%0.21443%0.428CS..Hα-helixtrans-59.7-26.2174.3-105.23.4000112.6K1536 L1649 K1651K1536-D1653 IonicContact NZ-OD2 2.72Å; K1536-D1653 PolarHBondContact NZ-OD2 2.84Å; L1649-D1653 PolarHBondContact O-N 3.4Å; K1651-D1653 PolarHBondContact O-N 3.24Å
1654N53Low63.8Low115 Ų11593.5 Ų93.562%0.61543%0.433SS*.THydrogen-bonded Turntrans-84.3-12.7175.6-72.3-7.8000113.6K1651 R1652K1651-N1654 WeakPolarHBondContact O-CB 3.46Å; K1651-N1654 PolarHBondContact O-N 3.26Å; K1651-N1654 VanDerWaalsContact O-N 3.14Å; R1652-N1654 PolarHBondContact O-N 3.19Å
1655I50.9Low62.9Low138 Ų13893.8 Ų93.871%0.70843%0.431SS*.THydrogen-bonded Turntrans-91.5-20.7179.6-60.9168.6000111.2R1652R1652-I1655 PolarHBondContact O-N 3.29Å
1656K46.3Very low61.5Low188 Ų188101.4 Ų101.482%0.81747%0.466SS*.  trans-91.1-11.1173.6-85.3-168.6174.3-173.50114.5R1652R1652-K1656 PolarHBondContact O-N 3.06Å
1657K37.1Very low60.2Low232 Ų232109 Ų109100%1.00950%0.502SS*.  trans-91.10164.3-82.3-171.9174.3-172.20108.5

Retrieved 1,657 of 1,657 residues in 2481.3 ms (Link to these results)