A0A087Y6Z5_POEFO Loading...

G protein-activated inward rectifier potassium channel 3

AlphaFold DB , UniProt , Accession A0A087Y6Z5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 500 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.5Very low35.8Very low251 Ų251158.5 Ų158.5100%1.23686%0.857SS**  0121.10-57.2-167.7-157.400105.5
2A36.2Very low36.1Very low103 Ų103154.6 Ų154.685%0.85185%0.845SS**  cis-139.5146.333.100000111.8
3L36.5Very low35.7Very low156 Ų156154.2 Ų154.282%0.81784%0.841SS**  trans-87142.1162.1-96.2153.8000107.4
4E41.9Very low35.4Very low200 Ų200151 Ų15194%0.93584%0.836SS**  trans-150129.9148-122.1168.8167.900111.6
5N39.8Very low35.2Very low142 Ų142151.7 Ų151.776%0.75984%0.837SS**  trans-81.2152.3-174.5-69.5-40.4000111.4
6S32.2Very low35Very low127 Ų127148.6 Ų148.689%0.88884%0.837SS**  trans-144.8137.8144.255.70000110.7
7V33.5Very low34.7Very low111 Ų111148.9 Ų148.967%0.67384%0.836SS**  trans-108.6160-168.4169.90000109.4
8F31.2Very low34.6Very low190 Ų190146.8 Ų146.883%0.83383%0.829SS**  trans115.7151.7154-72.2-71.7000115.4
9P41.1Very low34.4Very low118 Ų118145.9 Ų145.977%0.76683%0.827SS**  cis-132.6174.5-25.530.5-9.8000114.2
10S31.1Very low34Very low111 Ų111148.1 Ų148.178%0.77683%0.83SS**  trans-72.9146.7178.751.20000117.5
11R32.8Very low33.8Very low235 Ų235147 Ų14789%0.88783%0.827SS**  trans138.8158.6134.4-104.4-169.8163.8168.2-3.6113
12P39.1Very low33.2Very low111 Ų111145 Ų14572%0.72181%0.811SS**  cis-130173.9-1933.4-13.9000114.2
13D31.3Very low32.8Very low149 Ų149143.7 Ų143.780%0.79780%0.8SS**  trans-57.3168.3171.1-70.4-54.2000115.6
14S32Very low32.4Very low110 Ų110145.6 Ų145.677%0.76981%0.805SS**  trans95.4107.3154.167.10000117.4
15L31.8Very low31.5Very low162 Ų162139.4 Ų139.485%0.84880%0.795SS**  -170.484.9124.2-94.8168.7000108.4
16A31.5Very low30.8Very low102 Ų102142.3 Ų142.384%0.84380%0.804SS**  trans-84.2127.3159.900000107.9
17L29.8Very low30.5Very low154 Ų154145.5 Ų145.581%0.80681%0.805SS**  trans-129.9154.3165.9-85.3172.1000108.8
18P33.5Very low30.2Very low110 Ų110149.5 Ų149.571%0.71482%0.816SS**  -105.2156.7-125.937.1-33.7000113.8
19V29.9Very low29.9Very low130 Ų130149.3 Ų149.379%0.78882%0.818SS**  trans-77117164.8174.10000108.2V21V19-V21 HydrophobicContact CG1-CG2 4.34Å; V19-V21 PolarHBondContact O-N 2.78Å
20E27.2Very low29.2Very low189 Ų189148.7 Ų148.788%0.88382%0.822SS**  trans-71.3111.6165.8-101.3-173.5146.200109.4
21V30.2Very low29Very low127 Ų127147.5 Ų147.577%0.7782%0.82SS**  trans-95.1120.1161.3176.70000106.5V19V19-V21 HydrophobicContact CG1-CG2 4.34Å; V19-V21 PolarHBondContact O-N 2.78Å
22K24.4Very low28.6Very low207 Ų207142.7 Ų142.790%0.982%0.816SS**  trans-120.2109.4168-160.7173.8-175176.70108.7
23A27.4Very low28.1Very low77 Ų77146.7 Ų146.764%0.63682%0.823SS**  trans-120.3150.6170.300000109.2
24E27.6Very low27.8Very low195 Ų195144.6 Ų144.691%0.91182%0.819SS**  trans76.8134.6168.1-52.9-175.5171.900115.8
25G24.6Very low27.6Very low70 Ų70145.6 Ų145.672%0.72282%0.821SS**  cis174.1-179.33.900000109.8
26E24.9Very low27.4Very low204 Ų204142 Ų14295%0.95382%0.815SS**  trans94.3116.1162.3-62.9-175.7157.700120.7
27E25.9Very low27Very low193 Ų193142 Ų14290%0.90281%0.808SS**  trans-76.6147.3162.6-64172.6134.900110.9
28E25.8Very low26.8Very low196 Ų196141.1 Ų141.192%0.91681%0.81SS**  trans-155.2146.8140.4-139.2179-173.900111.7
29E25.8Very low26.5Very low186 Ų186139.5 Ų139.587%0.86981%0.813SS**  trans-65.4153.7-169.1-71.3175.8115.400116.8
30A26.5Very low26.5Very low104 Ų104139.5 Ų139.586%0.8681%0.813SS**  -159.6123.3127.900000112.1
31A27.1Very low26.3Very low87 Ų87140 Ų14072%0.71981%0.812SS**  trans-78.1160-177.200000114.7
32T25.1Very low26.2Very low133 Ų133140.6 Ų140.682%0.81681%0.812SS**  -166.8113.6123.313.90000113.1
33K27.6Very low26.4Very low196 Ų196136.5 Ų136.585%0.85280%0.803SS**  trans38.6135.2138-71.1174.2176.4174.50118.5
34S25.9Very low26.4Very low104 Ų104137.4 Ų137.473%0.72781%0.805SS**  cis179.3152.132.939.40000105.1
35T27.3Very low26.4Very low132 Ų132135.8 Ų135.881%0.8180%0.798SS**  cis-172.6143.645.5-120000108.5
36A26.5Very low26.7Very low86 Ų86140.1 Ų140.171%0.71180%0.799SS**  trans-10.8129166.600000118.3
37S24.8Very low26.9Very low101 Ų101137 Ų13771%0.70679%0.788SS**  45.9133.570.8113.70000112.5
38T25.9Very low27Very low136 Ų136130.6 Ų130.683%0.83477%0.774SS**  cis-178.2161.134.4-60000105.9
39G26.7Very low27.2Very low76 Ų76129.3 Ų129.378%0.78477%0.768SS**  trans14688.3152.700000116.3
40V29.1Very low27.3Very low130 Ų130125.8 Ų125.879%0.78876%0.759SS**  trans-69138.4160.7178.50000109.1
41F23.5Very low27.3Very low199 Ų199127 Ų12787%0.87376%0.756SS**  174.1151.5124.4-112.1-92.5000114.2
42N27Very low27.4Very low141 Ų141128.4 Ų128.475%0.75476%0.755SS**  trans-92.8146.3-175.4-119.1-2000112.5
43V28.9Very low27.6Very low120 Ų120129.1 Ų129.173%0.72776%0.759SS**  trans57.4122.7134.2-176.40000121.6
44S27.4Very low27.7Very low96 Ų96129.1 Ų129.167%0.67176%0.762SS**  133.1136.3129.9-97.60000118.1
45E28.9Very low28Very low162 Ų162130.7 Ų130.776%0.75777%0.768SS**  trans72.2115.9145.5-74.6-179.9146.300120.8
46E30Very low28.2Very low161 Ų161132.8 Ų132.875%0.75277%0.771SS**  89.514499.2-88-153140.500112.4
47L30.1Very low28.7Very low137 Ų137134.1 Ų134.172%0.71777%0.772SS**  cis-170.4158.5-12.7-156.6108.6000106.8
48G27.6Very low29.2Very low60 Ų60134.6 Ų134.662%0.61978%0.775SS**  trans136.699.215400000114.5
49H30.2Very low30Very low169 Ų169133.9 Ų133.978%0.78277%0.773SS**  95.5139.577.1-104.3-50.6000111.4
50V28Very low30.8Very low112 Ų112136 Ų13668%0.67977%0.773SS**  cis-153.3158.611.7-166.80000105.8
51V26.6Very low31.4Very low130 Ų130135.5 Ų135.579%0.78877%0.772SS**  -176.314092.7165.70000109.9
52T28.8Very low32.2Very low115 Ų115132 Ų13271%0.70677%0.769SS**  trans-45.9150179.332.80000119.4
53T29.7Very low32.5Very low148 Ų148130.1 Ų130.191%0.90877%0.773SS**  -172.5158.1124.319.40000114.1
54Q28.9Very low32.8Very low196 Ų196134.1 Ų134.192%0.91678%0.781SS**  trans-89.4161.9-156.1-65.2168.4-18.100116.3
55T31.9Very low33.6Very low137 Ų137135.7 Ų135.784%0.8479%0.787SS**  trans-87.3142.6176.6-39.10000113.3
56M30.8Very low34.4Very low177 Ų177137.8 Ų137.887%0.87279%0.793SS**  trans-156.6163.5161.3-95-55.3-151.200110.3
57P37.5Very low35.5Very low114 Ų114139.4 Ų139.474%0.7479%0.792SS**  trans-114.4178.2-137.127.8-6.7000116.5
58S35.8Very low36.9Very low111 Ų111136.4 Ų136.478%0.77678%0.783SS**PPolyproline II helixtrans-55.9151.2-172.755.80000118.6
59P41.7Very low38.3Very low120 Ų120141.2 Ų141.278%0.77979%0.787SS**PPolyproline II helixtrans-99.4163.1167.233.4-23.8000114.8
60P44.4Very low39.7Very low120 Ų120140.7 Ų140.778%0.77979%0.785SS**PPolyproline II helixtrans-90.5168.2-163.337.1-35.6000114.8
61P42.4Very low41.4Very low120 Ų120137.4 Ų137.478%0.77977%0.767SS**PPolyproline II helixtrans-89.3151.8-17234.9-33.9000113.8
62P39.2Very low43.3Very low125 Ų125137.6 Ų137.681%0.81276%0.757SS**PPolyproline II helixtrans-85.8156.4166.932.7-30.9000113.1
63A34.2Very low45.3Very low102 Ų102136.1 Ų136.184%0.84374%0.744SS**PPolyproline II helixtrans-62.5145-164.600000116.5V65A63-V65 PolarHBondContact O-N 3.13Å
64K34.4Very low47.2Very low205 Ų205131.8 Ų131.889%0.89172%0.723SS**  trans-77.3112.7175.7-70.2174.9178.6173.60111.4
65V45Very low49.2Very low129 Ų129128.2 Ų128.278%0.78271%0.707SS**  trans-87.7116155.9178.30000107.9A63 R67A63-V65 PolarHBondContact O-N 3.13Å; V65-R67 PolarHBondContact O-N 2.92Å
66K45.6Very low50.8Low206 Ų206131.5 Ų131.590%0.89670%0.704SS**  trans-70.191.3176.3-78.7-179.6177.21770110
67R52.9Low52.5Low195 Ų195129 Ų12974%0.73669%0.69SS**  trans-82.7127.9157.8-75.5-173.5174.4179.9-0.8108.8V65V65-R67 PolarHBondContact O-N 2.92Å
68S60Low53.9Low73 Ų73126.1 Ų126.151%0.5168%0.676SS.*  trans-61.6142.8-174.967.80000111.3Q70 S71S68-Q70 PolarHBondContact O-N 3.31Å; S68-Q70 VanDerWaalsContact O-N 3.11Å; S68-S71 PolarHBondContact O-N 2.85Å; S68-S71 PolarHBondContact O-OG 3.46Å
69F55.6Low55.3Low162 Ų162125.4 Ų125.471%0.71166%0.663SS**Hα-helixtrans-54.4-29.8-179.5-173.1-103.3000113.1S71 K72 L73F69-S71 PolarHBondContact O-N 2.81Å; F69-K72 PolarHBondContact O-N 3.35Å; F69-L73 HydrophobicContact CD1-CD1 3.75Å; F69-L73 HydrophobicContact CE1-CD1 3.35Å; F69-L73 HydrophobicContact CZ-CD1 3.98Å; F69-L73 PolarHBondContact O-N 3.33Å
70Q60.5Low56.1Low157 Ų157122.5 Ų122.573%0.73465%0.649SS**Hα-helixtrans-63.3-35.9175.5-73.3177.7-28.600113.3S68 K72 L73 A74S68-Q70 PolarHBondContact O-N 3.31Å; S68-Q70 VanDerWaalsContact O-N 3.11Å; Q70-K72 VanDerWaalsContact C-N 3.33Å; Q70-K72 PolarHBondContact O-N 3.06Å; Q70-L73 PolarHBondContact O-N 3.22Å; Q70-A74 PolarHBondContact O-N 3.22Å; Q70-A74 VanDerWaalsContact O-N 3.09Å
71S63.2Low56.7Low43 Ų43121.4 Ų121.430%0.30164%0.637SS.*Hα-helixtrans-67-33.9177.964.60000112.8S68 F69 E75S68-S71 PolarHBondContact O-N 2.85Å; S68-S71 PolarHBondContact O-OG 3.46Å; F69-S71 PolarHBondContact O-N 2.81Å; S71-E75 PolarHBondContact O-N 3.25Å; S71-E75 VanDerWaalsContact O-N 3.13Å
72K67.8Low57.3Low135 Ų135121.3 Ų121.359%0.58763%0.626SS**Hα-helixtrans-74-28.8177.3-69.4-171175.5-174.80113.2F69 Q70 R76F69-K72 PolarHBondContact O-N 3.35Å; Q70-K72 VanDerWaalsContact C-N 3.33Å; Q70-K72 PolarHBondContact O-N 3.06Å; K72-R76 PolarHBondContact O-N 2.83Å
73L69.6Low57.8Low83 Ų83122.2 Ų122.244%0.43562%0.619SS.*Hα-helixtrans-73.6-42.3173.6-107.4128.4000111.1F69 Q70 E75 R76 E77F69-L73 HydrophobicContact CD1-CD1 3.75Å; F69-L73 HydrophobicContact CE1-CD1 3.35Å; F69-L73 HydrophobicContact CZ-CD1 3.98Å; F69-L73 PolarHBondContact O-N 3.33Å; Q70-L73 PolarHBondContact O-N 3.22Å; L73-E75 PolarHBondContact O-N 3.02Å; L73-R76 PolarHBondContact O-N 3.24Å; L73-E77 PolarHBondContact O-N 3.4Å
74A69.7Low58.4Low57 Ų57126.8 Ų126.847%0.47162%0.615SS.*Hα-helixtrans-63.1-39.6176.600000112.9Q70 E77 A78Q70-A74 PolarHBondContact O-N 3.22Å; Q70-A74 VanDerWaalsContact O-N 3.09Å; A74-E77 PolarHBondContact O-N 2.72Å; A74-A78 WeakPolarHBondContact O-CB 3.22Å; A74-A78 PolarHBondContact O-N 3.25Å
75E71.3Confident58.8Low121 Ų121125.6 Ų125.657%0.56561%0.61SS**Hα-helixtrans-67.2-35.6173.5-93179.2155.800112.8S71 L73 N79S71-E75 PolarHBondContact O-N 3.25Å; S71-E75 VanDerWaalsContact O-N 3.13Å; L73-E75 PolarHBondContact O-N 3.02Å; E75-N79 WeakPolarHBondContact O-CB 3.42Å; E75-N79 VanDerWaalsContact O-CG 3.31Å; E75-N79 PolarHBondContact O-N 2.98Å; E75-N79 PolarHBondContact O-ND2 3.42Å
76R65.8Low58.7Low207 Ų207127.6 Ų127.678%0.78161%0.608SS**Hα-helixtrans-68.6-39.4175.4-90.8-176.6160.7-175.6-5.5112.3K72 L73 A80K72-R76 PolarHBondContact O-N 2.83Å; L73-R76 PolarHBondContact O-N 3.24Å; R76-A80 WeakPolarHBondContact O-CB 3.27Å; R76-A80 PolarHBondContact O-N 2.96Å
77E65.8Low58.5Low123 Ų123123.1 Ų123.158%0.57560%0.598SS**Hα-helixtrans-69.2-38.5175.3-73.9-178.8169.500112.2L73 A74 A80 N81L73-E77 PolarHBondContact O-N 3.4Å; A74-E77 PolarHBondContact O-N 2.72Å; E77-A80 PolarHBondContact O-N 3.27Å; E77-N81 WeakPolarHBondContact O-CB 3.45Å; E77-N81 PolarHBondContact O-N 3.21Å
78A66.3Low57.5Low55 Ų55121.6 Ų121.646%0.45560%0.599SS.*Hα-helixtrans-63.6-43.617500000112A74 N81 Q82A74-A78 WeakPolarHBondContact O-CB 3.22Å; A74-A78 PolarHBondContact O-N 3.25Å; A78-N81 PolarHBondContact O-N 3.47Å; A78-Q82 PolarHBondContact O-N 3.22Å
79N66.5Low56.3Low95 Ų95124 Ų12451%0.50861%0.613SS.*Hα-helixtrans-70.4-34.5178-74-20.7000112.8E75 Q82 H83E75-N79 WeakPolarHBondContact O-CB 3.42Å; E75-N79 VanDerWaalsContact O-CG 3.31Å; E75-N79 PolarHBondContact O-N 2.98Å; E75-N79 PolarHBondContact O-ND2 3.42Å; N79-Q82 PolarHBondContact O-N 3.5Å; N79-H83 PolarHBondContact O-N 2.83Å; N79-H83 VanDerWaalsContact O-N 3.15Å
80A58.5Low55.3Low59 Ų59125.1 Ų125.149%0.48862%0.62SS.*Hα-helixtrans-66.3-39.5173.800000112.1R76 E77 H83 R84R76-A80 WeakPolarHBondContact O-CB 3.27Å; R76-A80 PolarHBondContact O-N 2.96Å; E77-A80 PolarHBondContact O-N 3.27Å; A80-H83 PolarHBondContact O-N 2.78Å; A80-R84 PolarHBondContact O-N 3Å
81N56.9Low54.2Low98 Ų98127 Ų12752%0.52463%0.626SS.*Hα-helixtrans-71.7-28.1176.1-84-25.5000113.2E77 A78 R84 K85E77-N81 WeakPolarHBondContact O-CB 3.45Å; E77-N81 PolarHBondContact O-N 3.21Å; A78-N81 PolarHBondContact O-N 3.47Å; N81-R84 PolarHBondContact O-N 2.84Å; N81-K85 PolarHBondContact O-N 2.88Å; N81-K85 VanDerWaalsContact O-N 3.1Å
82Q54.8Low52.9Low118 Ų118133.6 Ų133.655%0.55165%0.652SS**Hα-helixtrans-72.3-37174.7-162.7170.64.700112.3A78 N79 K85 K86A78-Q82 PolarHBondContact O-N 3.22Å; N79-Q82 PolarHBondContact O-N 3.5Å; Q82-K85 PolarHBondContact O-N 3.44Å; Q82-K86 PolarHBondContact O-N 3.42Å
83H49Very low51.6Low144 Ų144139.1 Ų139.167%0.66767%0.669SS**Hα-helixtrans-67.4-36170.1-98.1-71.3000112.4N79 A80 K85 K86 T87N79-H83 PolarHBondContact O-N 2.83Å; N79-H83 VanDerWaalsContact O-N 3.15Å; A80-H83 PolarHBondContact O-N 2.78Å; H83-K85 VanDerWaalsContact C-N 3.34Å; H83-K85 PolarHBondContact O-N 2.98Å; H83-K86 PolarHBondContact O-N 3.38Å; H83-T87 PolarHBondContact O-OG1 2.89Å
84R46.3Very low49.9Very low197 Ų197138 Ų13874%0.74368%0.678SS**Hα-helixtrans-67.4-30.6176.5-165.9173172.8-178.6-1.7113.3A80 N81A80-R84 PolarHBondContact O-N 3Å; N81-R84 PolarHBondContact O-N 2.84Å
85K43.6Very low48.6Very low181 Ų181147.4 Ų147.479%0.78770%0.701SS**Hα-helixtrans-76.7-24174.1-86.1-175.7175.1-179.30114.4N81 Q82 H83N81-K85 PolarHBondContact O-N 2.88Å; N81-K85 VanDerWaalsContact O-N 3.1Å; Q82-K85 PolarHBondContact O-N 3.44Å; H83-K85 VanDerWaalsContact C-N 3.34Å; H83-K85 PolarHBondContact O-N 2.98Å
86K42.6Very low46.9Very low171 Ų171149.9 Ų149.974%0.74371%0.711SS**THydrogen-bonded Turntrans-86.5-1.4178.6-82.4-174.4174.8-177.80114.8Q82 H83Q82-K86 PolarHBondContact O-N 3.42Å; H83-K86 PolarHBondContact O-N 3.38Å
87T41.8Very low45.8Very low111 Ų111144 Ų14468%0.68171%0.714SS**THydrogen-bonded Turntrans-115.727.8-176.8-22.40000113.2H83H83-T87 PolarHBondContact O-OG1 2.89Å
88Q31.4Very low44.7Very low164 Ų164149.1 Ų149.177%0.76673%0.728SS**  trans-102.6115.3162.9-83.8-177.1-14.700108.4E90Q88-E90 PolarHBondContact O-N 2.79Å; Q88-E90 VanDerWaalsContact O-N 3.17Å
89P36Very low43.6Very low122 Ų122150.8 Ų150.879%0.79274%0.742SS**  trans-70.4113.117128.1-29000108K91P89-K91 PolarHBondContact O-N 2.92Å
90E34.8Very low42.6Very low187 Ų187158.1 Ų158.187%0.87476%0.763SS**  trans-65.3100.4167.4-168.9171.4171.200107.7Q88 E92Q88-E90 PolarHBondContact O-N 2.79Å; Q88-E90 VanDerWaalsContact O-N 3.17Å; E90-E92 PolarHBondContact O-N 3.3Å
91K36.3Very low42.3Very low195 Ų195159.5 Ų159.585%0.84877%0.774SS**  trans-67.497.5172.5-98.1-179.1174.1176.40108.3P89 R93P89-K91 PolarHBondContact O-N 2.92Å; K91-R93 PolarHBondContact O-N 3.27Å; K91-R93 VanDerWaalsContact O-N 3.17Å
92E37.2Very low42.2Very low182 Ų182161.9 Ų161.985%0.8578%0.775SS**  trans-49.3119.9157.7-75.7-174.8144.900108.6E90 G94E90-E92 PolarHBondContact O-N 3.3Å; E92-G94 PolarHBondContact O-N 2.69Å
93R39.6Very low42.1Very low252 Ų252167.7 Ų167.795%0.95179%0.792SS**  trans-71.275.9172.6-82.5-178.8170.9-173.7-1.7109.1K91 R95K91-R93 PolarHBondContact O-N 3.27Å; K91-R93 VanDerWaalsContact O-N 3.17Å; R93-R95 PolarHBondContact O-N 3.09Å
94G34.5Very low42.6Very low60 Ų60170.2 Ų170.262%0.61980%0.801SS**  trans-64.1117.1157.800000109E92 F96E92-G94 PolarHBondContact O-N 2.69Å; G94-F96 PolarHBondContact O-N 2.99Å
95R41.7Very low43.6Very low253 Ų253167.6 Ų167.696%0.95579%0.792SS**  trans-70.870.2178.1-157.4-177.9-156.9-1675.5109.8R93R93-R95 PolarHBondContact O-N 3.09Å
96F36.7Very low45.2Very low174 Ų174166.9 Ų166.976%0.76379%0.791SS**  trans-99119.1166.4-97.6-95.5000108.5G94 W98G94-F96 PolarHBondContact O-N 2.99Å; F96-W98 VanDerWaalsContact C-N 3.32Å; F96-W98 VanDerWaalsContact O-CD1 3.26Å; F96-W98 PolarHBondContact O-N 3.17Å
97G42.4Very low47.4Very low82 Ų82161 Ų16185%0.84576%0.764SS**  trans-67.489.7173.900000110A99G97-A99 PolarHBondContact O-N 2.78Å; G97-A99 VanDerWaalsContact O-N 3.13Å
98W41.6Very low49.7Very low231 Ų231159.1 Ų159.188%0.87575%0.745SS**  trans-71.6102.9161-66.775.9000106.1F96 R100F96-W98 VanDerWaalsContact C-N 3.32Å; F96-W98 VanDerWaalsContact O-CD1 3.26Å; F96-W98 PolarHBondContact O-N 3.17Å; W98-R100 PolarHBondContact O-N 3.01Å; W98-R100 VanDerWaalsContact O-N 3.09Å
99A43.7Very low52.7Low91 Ų91151.4 Ų151.475%0.75271%0.709SS**  trans-44.2122.9154.900000106.3G97 A101G97-A99 PolarHBondContact O-N 2.78Å; G97-A99 VanDerWaalsContact O-N 3.13Å; A99-A101 PolarHBondContact O-N 3.33Å
100R45.2Very low55.3Low249 Ų249148.4 Ų148.494%0.9469%0.685SS**  trans-64.484.7-176.3-148.3-180-161.1167.71.9106.3W98 R102W98-R100 PolarHBondContact O-N 3.01Å; W98-R100 VanDerWaalsContact O-N 3.09Å; R100-R102 PolarHBondContact O-N 3.42Å
101A51.4Low57.9Low88 Ų88142.1 Ų142.173%0.72765%0.654SS**  trans-54.4110.2171.500000105A99 R103A99-A101 PolarHBondContact O-N 3.33Å; A101-R103 PolarHBondContact O-N 2.92Å
102R55.4Low60.3Low147 Ų147139.5 Ų139.556%0.55565%0.65SS**  trans-46.8113.4177.6-137174.9168.8159-8.5104.8R100 K104 E351R100-R102 PolarHBondContact O-N 3.42Å; R102-K104 PolarHBondContact O-N 2.91Å; R102-E351 PolarHBondContact NH1-O 3.32Å; R102-E351 PolarHBondContact NH2-O 3.3Å
103R53.8Low62.6Low240 Ų240131 Ų13191%0.90661%0.612SS**  trans-58111.5178.5-78.8-178.1-176.9168.80.1105A101 R105A101-R103 PolarHBondContact O-N 2.92Å; R103-R105 PolarHBondContact O-N 3.2Å
104K58.8Low64.9Low197 Ų197127.4 Ų127.486%0.85760%0.598SS**  trans-55.3107.8175.6-75.2-173.1175.5-172.30106.8R102R102-K104 PolarHBondContact O-N 2.91Å
105R66.8Low67.5Low142 Ų142127.7 Ų127.754%0.53659%0.59SS.*PPolyproline II helixtrans-65.5141.5-178.6-170.5176.1177.1-161.3-0.4107.7R103 R107 S297R103-R105 PolarHBondContact O-N 3.2Å; R105-R107 PolarHBondContact O-N 3.12Å; R105-S297 PolarHBondContact NH2-OG 3.42Å
106Q78.4Confident69.8Low166 Ų166118.7 Ų118.778%0.77656%0.56SS**PPolyproline II helixtrans-73.5125.6-179.2-166.5158.6-4.900109.3
107R88.8Confident72.1Confident49 Ų49113 Ų11319%0.18554%0.539CS..PPolyproline II helixtrans-72.3144.2178.766.5-164.9-51.7147.414.8111.6R105 V109 E110 N116 S377 L379 E382R105-R107 PolarHBondContact O-N 3.12Å; R107-V109 WeakPolarHBondContact CD-O 3.45Å; R107-V109 VanDerWaalsContact CG-O 3.3Å; R107-V109 WeakPolarHBondContact CG-O 3.37Å; R107-V109 PolarHBondContact NE-O 2.76Å; R107-E110 HydrophobicContact CG-CG 4.45Å; R107-N116 WeakPolarHBondContact O-CB 3.41Å; R107-S377 PolarHBondContact NH2-O 3.41Å; R107-S377 PolarHBondContact NH2-OG 2.92Å; R107-L379 HydrophobicContact CB-CD2 4.12Å; R107-E382 IonicContact CZ-OE1 3.77Å; R107-E382 IonicContact NH1-OE1 3.14Å; R107-E382 PolarHBondContact NH1-OE1 3.25Å; R107-E382 VanDerWaalsContact NH1-OE1 3.14Å; R107-E382 IonicContact NH2-OE1 2.66Å; R107-E382 PolarHBondContact NH2-OE1 3.45Å; R107-E382 IonicContact NH2-OE2 2.68Å; R107-E382 PolarHBondContact NH2-OE2 3.35Å
108Y90.1Very high73.9Confident70 Ų70118.2 Ų118.228%0.27554%0.542SS..SBendtrans-72.6-43.9177.1-175-109000111.2N116 V117 I295 L308 E356Y108-N116 PolarHBondContact O-N 2.95Å; Y108-V117 HydrophobicContact CD2-CG2 3.74Å; Y108-V117 HydrophobicContact CE2-CG2 3.18Å; Y108-I295 HydrophobicContact CD1-CD1 3.39Å; Y108-I295 HydrophobicContact CE1-CD1 3.9Å; Y108-I295 HydrophobicContact CG-CD1 4.08Å; Y108-L308 HydrophobicContact CD2-CD1 3.73Å; Y108-L308 HydrophobicContact CE2-CD1 3.8Å; Y108-E356 WeakPolarHBondContact CB-OE2 3.32Å; Y108-E356 PolarHBondContact N-OE1 3.41Å; Y108-E356 PolarHBondContact N-OE2 3.45Å
109V93.5Very high75.7Confident2 Ų2113.9 Ų113.91%0.01253%0.531CS..BIsolated β-bridgetrans-119.6139.1172.6-170.60000108.9R107 R114 E356 V358 R375 S377R107-V109 WeakPolarHBondContact CD-O 3.45Å; R107-V109 VanDerWaalsContact CG-O 3.3Å; R107-V109 WeakPolarHBondContact CG-O 3.37Å; R107-V109 PolarHBondContact NE-O 2.76Å; V109-R114 CarbonylContact C-O 3.55Å; V109-R114 WeakPolarHBondContact CA-O 3.48Å; V109-E356 PolarHBondContact N-OE1 2.93Å; V109-V358 HydrophobicContact CB-CG2 4.35Å; V109-V358 HydrophobicContact CG2-CG1 3.97Å; V109-V358 HydrophobicContact CG2-CG2 3.8Å; V109-R375 HydrophobicContact CG1-CB 4.46Å; V109-S377 PolarHBondContact O-OG 3.29Å
110E91.5Very high77.1Confident60 Ų60112.7 Ų112.728%0.2853%0.528SS..  trans-76.9158.6172.1-61.4-169.9157.700111.1R107 N112 G113 R114 N116R107-E110 HydrophobicContact CG-CG 4.45Å; E110-N112 PolarHBondContact O-N 3.24Å; E110-G113 PolarHBondContact O-N 3.02Å; E110-R114 HydrophobicContact CB-CB 4.41Å; E110-R114 HydrophobicContact CG-CB 4.46Å; E110-R114 PolarHBondContact N-O 3.29Å; E110-N116 WeakPolarHBondContact CG-ND2 3.43Å; E110-N116 PolarHBondContact OE1-ND2 3.46Å; E110-N116 PolarHBondContact OE1-OD1 3.22Å
111K89.5Confident78.4Confident54 Ų54108.1 Ų108.124%0.23552%0.522CS..THydrogen-bonded Turntrans-55.2-25.5171.5-75.2-71.8-176.1-170.50113.2G113 K260 S376 S377 E382K111-G113 VanDerWaalsContact C-N 3.25Å; K111-G113 PolarHBondContact O-N 3.07Å; K111-K260 WeakPolarHBondContact CE-O 3.47Å; K111-K260 PolarHBondContact NZ-O 2.85Å; K111-S376 PolarHBondContact O-OG 3.32Å; K111-S377 VanDerWaalsContact CD-O 3.27Å; K111-S377 WeakPolarHBondContact CD-O 3.43Å; K111-S377 WeakPolarHBondContact CE-O 3.21Å; K111-S377 PolarHBondContact NZ-O 3.43Å; K111-E382 WeakPolarHBondContact CE-OE1 3.43Å; K111-E382 WeakPolarHBondContact CE-OE2 3.27Å; K111-E382 IonicContact NZ-OE1 3.81Å; K111-E382 IonicContact NZ-OE2 2.79Å; K111-E382 PolarHBondContact NZ-OE2 3.1Å
112N85.6Confident79.1Confident140 Ų140108 Ų10875%0.74951%0.507SS*.THydrogen-bonded Turntrans-84.44.9177.8-58.5-7.7000112.9E110 R114E110-N112 PolarHBondContact O-N 3.24Å; N112-R114 VanDerWaalsContact C-N 3.33Å; N112-R114 PolarHBondContact O-N 3.08Å
113G85.8Confident79.6Confident5 Ų5111.9 Ų111.95%0.05252%0.522CS..SBendtrans80.25177.200000116.1E110 K111 R375E110-G113 PolarHBondContact O-N 3.02Å; K111-G113 VanDerWaalsContact C-N 3.25Å; K111-G113 PolarHBondContact O-N 3.07Å; G113-R375 WeakPolarHBondContact CA-O 3.19Å; G113-R375 PolarHBondContact N-O 2.71Å; G113-R375 PolarHBondContact O-NE 3.28Å; G113-R375 PolarHBondContact O-NH2 2.82Å
114R88.3Confident80.6Confident176 Ų176104.1 Ų104.166%0.66450%0.496SS*.  trans-77.2135.3172.9-68.3-175.2176.8-178.90.1110.4V109 E110 N112V109-R114 CarbonylContact C-O 3.55Å; V109-R114 WeakPolarHBondContact CA-O 3.48Å; E110-R114 HydrophobicContact CB-CB 4.41Å; E110-R114 HydrophobicContact CG-CB 4.46Å; E110-R114 PolarHBondContact N-O 3.29Å; N112-R114 VanDerWaalsContact C-N 3.33Å; N112-R114 PolarHBondContact O-N 3.08Å
115C89.6Confident81.4Confident66 Ų6699.3 Ų99.345%0.44648%0.483SS..BIsolated β-bridgetrans-89.8125.5177.3-56.40000110V117C115-V117 HydrophobicContact CB-CG2 4.49Å; C115-V117 PolarHBondContact O-N 2.81Å
116N88.2Confident81.9Confident64 Ų6498.3 Ų98.334%0.34248%0.48SS..  trans-86.453.8177.4-80.2-22.1000111.2R107 Y108 E110R107-N116 WeakPolarHBondContact O-CB 3.41Å; Y108-N116 PolarHBondContact O-N 2.95Å; E110-N116 WeakPolarHBondContact CG-ND2 3.43Å; E110-N116 PolarHBondContact OE1-ND2 3.46Å; E110-N116 PolarHBondContact OE1-OD1 3.22Å
117V86.4Confident82.1Confident53 Ų5397.2 Ų97.232%0.32147%0.469SS..  trans-120.1117.2-180-1750000108.6Y108 C115Y108-V117 HydrophobicContact CD2-CG2 3.74Å; Y108-V117 HydrophobicContact CE2-CG2 3.18Å; C115-V117 HydrophobicContact CB-CG2 4.49Å; C115-V117 PolarHBondContact O-N 2.81Å
118Q80.4Confident81.6Confident193 Ų193101.1 Ų101.190%0.90249%0.485SS*.  trans-101.2119.1170.8-67.3-177-4.900108.3G120Q118-G120 PolarHBondContact O-N 2.93Å
119H78.1Confident81Confident139 Ų139104.2 Ų104.264%0.64451%0.505SS*.  trans-79.6105.7175.7-58.790.4000109.2M122H119-M122 HydrophobicContact CB-CE 3.09Å; H119-M122 HydrophobicContact CB-SD 3.57Å; H119-M122 VanDerWaalsContact CB-SD 3.57Å
120G73.6Confident80.6Confident66 Ų66109.6 Ų109.668%0.6854%0.538SS*.  trans-87.7151.4176.700000112.5Q118 M122Q118-G120 PolarHBondContact O-N 2.93Å; G120-M122 PolarHBondContact O-N 3.26Å
121N73.4Confident80.4Confident153 Ų153110.3 Ų110.382%0.81854%0.544SS*.  trans58.444.6169.7-162.324.9000115.6R123N121-R123 PolarHBondContact O-N 3Å
122M64.5Low80.3Confident85 Ų85112.4 Ų112.442%0.41956%0.557SS.*  trans-74.8101.8168.4-71.6147.1148.900109.6H119 G120 E124H119-M122 HydrophobicContact CB-CE 3.09Å; H119-M122 HydrophobicContact CB-SD 3.57Å; H119-M122 VanDerWaalsContact CB-SD 3.57Å; G120-M122 PolarHBondContact O-N 3.26Å; M122-E124 PolarHBondContact O-N 3.01Å
123R66.3Low80.4Confident230 Ų230109.6 Ų109.687%0.86854%0.538SS*.SBendtrans-65.8-13.6177.9-98.6177153.7175.3-6.9114.1N121N121-R123 PolarHBondContact O-N 3Å
124E75.4Confident80.5Confident76 Ų76112 Ų11236%0.35555%0.552SS.*  trans-118.353.5-170.1-59.8-174112.400112.7M122 Y126 R127M122-E124 PolarHBondContact O-N 3.01Å; E124-Y126 HydrophobicContact CB-CD1 4.03Å; E124-Y126 HydrophobicContact CB-CE1 3.5Å; E124-Y126 VanDerWaalsContact CB-CE1 3.5Å; E124-Y126 HydrophobicContact CG-CE1 3.69Å; E124-Y126 PolarHBondContact O-N 2.98Å; E124-Y126 VanDerWaalsContact O-N 3.14Å; E124-Y126 PolarHBondContact OE1-OH 3.06Å; E124-R127 HydrophobicContact CB-CG 4.25Å; E124-R127 VanDerWaalsContact CD-CZ 3.42Å; E124-R127 PolarHBondContact O-N 3.34Å; E124-R127 IonicContact OE1-CZ 3.67Å; E124-R127 IonicContact OE1-NE 2.75Å; E124-R127 PolarHBondContact OE1-NE 2.86Å; E124-R127 IonicContact OE1-NH2 3.23Å; E124-R127 PolarHBondContact OE1-NH2 3.37Å; E124-R127 IonicContact OE2-CZ 3.1Å; E124-R127 IonicContact OE2-NE 3.07Å; E124-R127 PolarHBondContact OE2-NE 3.09Å; E124-R127 IonicContact OE2-NH1 2.74Å; E124-R127 PolarHBondContact OE2-NH1 2.91Å; E124-R127 IonicContact OE2-NH2 2.9Å; E124-R127 PolarHBondContact OE2-NH2 3.08Å
125T74.8Confident80.5Confident97 Ų97105.8 Ų105.860%0.59553%0.534SS*.THydrogen-bonded Turntrans-60.7-20.217749.60000113.6R127 Y128T125-R127 PolarHBondContact O-N 2.83Å; T125-Y128 PolarHBondContact O-N 3.45Å
126Y78.9Confident80.4Confident120 Ų120103.9 Ų103.947%0.47152%0.519SS..Hα-helixtrans-61-26.217671.9-92.6000113.1E124 Y128 L129 T130E124-Y126 HydrophobicContact CB-CD1 4.03Å; E124-Y126 HydrophobicContact CB-CE1 3.5Å; E124-Y126 VanDerWaalsContact CB-CE1 3.5Å; E124-Y126 HydrophobicContact CG-CE1 3.69Å; E124-Y126 PolarHBondContact O-N 2.98Å; E124-Y126 VanDerWaalsContact O-N 3.14Å; E124-Y126 PolarHBondContact OE1-OH 3.06Å; Y126-Y128 VanDerWaalsContact C-N 3.25Å; Y126-Y128 PolarHBondContact O-N 2.91Å; Y126-L129 WeakPolarHBondContact O-CB 3.47Å; Y126-L129 PolarHBondContact O-N 3.2Å; Y126-T130 PolarHBondContact O-N 3.46Å; Y126-T130 PolarHBondContact O-OG1 3.03Å
127R81.5Confident80.5Confident144 Ų144101 Ų10154%0.54350%0.504SS..Hα-helixtrans-63.6-31.7-179.8-68.1-176.2177.8-176.33.7112.6E124 T125 L129 T130 D131E124-R127 HydrophobicContact CB-CG 4.25Å; E124-R127 VanDerWaalsContact CD-CZ 3.42Å; E124-R127 PolarHBondContact O-N 3.34Å; E124-R127 IonicContact OE1-CZ 3.67Å; E124-R127 IonicContact OE1-NE 2.75Å; E124-R127 PolarHBondContact OE1-NE 2.86Å; E124-R127 IonicContact OE1-NH2 3.23Å; E124-R127 PolarHBondContact OE1-NH2 3.37Å; E124-R127 IonicContact OE2-CZ 3.1Å; E124-R127 IonicContact OE2-NE 3.07Å; E124-R127 PolarHBondContact OE2-NE 3.09Å; E124-R127 IonicContact OE2-NH1 2.74Å; E124-R127 PolarHBondContact OE2-NH1 2.91Å; E124-R127 IonicContact OE2-NH2 2.9Å; E124-R127 PolarHBondContact OE2-NH2 3.08Å; T125-R127 PolarHBondContact O-N 2.83Å; R127-L129 VanDerWaalsContact C-N 3.3Å; R127-L129 PolarHBondContact O-N 3.42Å; R127-T130 PolarHBondContact O-N 2.81Å; R127-D131 PolarHBondContact O-N 2.94Å
128Y78.2Confident80.6Confident130 Ų130103.9 Ų103.951%0.5152%0.517SS..Hα-helixtrans-67.5-31172.7-67-72000112.3T125 Y126 D131 T135T125-Y128 PolarHBondContact O-N 3.45Å; Y126-Y128 VanDerWaalsContact C-N 3.25Å; Y126-Y128 PolarHBondContact O-N 2.91Å; Y128-D131 CarbonylContact O-C 3.39Å; Y128-T135 PolarHBondContact O-OG1 3.32Å
129L78.1Confident80.9Confident135 Ų13597.5 Ų97.571%0.70749%0.489SS*.Hα-helixtrans-77.7-30.9176.8-62.2176.1000112.1Y126 R127 D131Y126-L129 WeakPolarHBondContact O-CB 3.47Å; Y126-L129 PolarHBondContact O-N 3.2Å; R127-L129 VanDerWaalsContact C-N 3.3Å; R127-L129 PolarHBondContact O-N 3.42Å; L129-D131 VanDerWaalsContact C-N 3.25Å; L129-D131 PolarHBondContact O-N 3.43Å
130T84.4Confident81.6Confident115 Ų11596.9 Ų96.971%0.70649%0.49SS*.Hα-helixtrans-62.3-36.8173.7-50.50000111.3Y126 R127Y126-T130 PolarHBondContact O-N 3.46Å; Y126-T130 PolarHBondContact O-OG1 3.03Å; R127-T130 PolarHBondContact O-N 2.81Å
131D87.8Confident82.4Confident76 Ų7699 Ų9941%0.40648%0.478SS..THydrogen-bonded Turntrans-104.265174.3-164.81.1000111.5R127 Y128 L129 F133 T134 T135R127-D131 PolarHBondContact O-N 2.94Å; Y128-D131 CarbonylContact O-C 3.39Å; L129-D131 VanDerWaalsContact C-N 3.25Å; L129-D131 PolarHBondContact O-N 3.43Å; D131-F133 PolarHBondContact O-N 2.86Å; D131-T134 PolarHBondContact O-OG1 3.23Å; D131-T134 WeakPolarHBondContact OD1-CG2 3.06Å; D131-T134 PolarHBondContact OD1-N 3.03Å; D131-T134 PolarHBondContact OD1-OG1 3.26Å; D131-T134 VanDerWaalsContact OD1-OG1 3.12Å; D131-T134 WeakPolarHBondContact OD2-CB 3.42Å; D131-T134 WeakPolarHBondContact OD2-CG2 2.91Å; D131-T134 PolarHBondContact OD2-OG1 3.1Å; D131-T135 WeakPolarHBondContact O-CB 3.31Å; D131-T135 PolarHBondContact O-N 3.26Å; D131-T135 PolarHBondContact O-OG1 2.84Å
132I86.6Confident83.3Confident97 Ų97102.2 Ų102.250%0.49748%0.479SS..Hα-helixtrans-64.5-30.2-178.6-162.9164.6000112.1L136I132-L136 HydrophobicContact CG1-CD1 4.08Å; I132-L136 HydrophobicContact CG1-CG 4.26Å; I132-L136 WeakPolarHBondContact O-CB 3.46Å; I132-L136 WeakPolarHBondContact O-CG 3.44Å; I132-L136 PolarHBondContact O-N 3.18Å
133F87.4Confident84.6Confident81 Ų81100.8 Ų100.836%0.35548%0.477SS..Hα-helixtrans-66.9-52.9-178.7-179.3-97.6000111.1D131 T135 L136 V137 F237 C241 V244D131-F133 PolarHBondContact O-N 2.86Å; F133-T135 VanDerWaalsContact C-N 3.31Å; F133-T135 PolarHBondContact O-N 3.46Å; F133-L136 PolarHBondContact O-N 3.32Å; F133-V137 HydrophobicContact CE1-CG2 4.26Å; F133-V137 HydrophobicContact CZ-CG2 4.26Å; F133-V137 WeakPolarHBondContact O-CG2 2.94Å; F133-V137 PolarHBondContact O-N 3.18Å; F133-V137 VanDerWaalsContact O-N 3.15Å; F133-F237 AromaticContact CD2-CE2 3.95Å; F133-F237 HydrophobicContact CD2-CE2 3.95Å; F133-F237 HydrophobicContact CD2-CZ 4.44Å; F133-C241 VanDerWaalsContact CD2-SG 3.53Å; F133-C241 WeakPolarHBondContact CE2-SG 3.37Å; F133-V244 HydrophobicContact CZ-CB 4.42Å; F133-V244 HydrophobicContact CZ-CG2 4.09Å
134T87.8Confident85.8Confident56 Ų5691.1 Ų91.134%0.34444%0.444SS..Hα-helixtrans-63.7-40.8178.161.40000111.1D131 L136 V137 D138D131-T134 PolarHBondContact O-OG1 3.23Å; D131-T134 WeakPolarHBondContact OD1-CG2 3.06Å; D131-T134 PolarHBondContact OD1-N 3.03Å; D131-T134 PolarHBondContact OD1-OG1 3.26Å; D131-T134 VanDerWaalsContact OD1-OG1 3.12Å; D131-T134 WeakPolarHBondContact OD2-CB 3.42Å; D131-T134 WeakPolarHBondContact OD2-CG2 2.91Å; D131-T134 PolarHBondContact OD2-OG1 3.1Å; T134-L136 VanDerWaalsContact C-N 3.34Å; T134-L136 PolarHBondContact O-N 3.37Å; T134-V137 PolarHBondContact O-N 3.48Å; T134-V137 VanDerWaalsContact O-N 3.16Å; T134-D138 WeakPolarHBondContact O-CB 3.32Å; T134-D138 PolarHBondContact O-N 2.92Å
135T89.2Confident86.6Confident46 Ų4691.7 Ų91.728%0.28245%0.449SS..Hα-helixtrans-58-44.4177.1-58.80000111.9Y128 D131 F133 V137 D138 L139Y128-T135 PolarHBondContact O-OG1 3.32Å; D131-T135 WeakPolarHBondContact O-CB 3.31Å; D131-T135 PolarHBondContact O-N 3.26Å; D131-T135 PolarHBondContact O-OG1 2.84Å; F133-T135 VanDerWaalsContact C-N 3.31Å; F133-T135 PolarHBondContact O-N 3.46Å; T135-V137 PolarHBondContact O-N 3.37Å; T135-D138 PolarHBondContact O-N 3.41Å; T135-L139 WeakPolarHBondContact O-CG 3.48Å; T135-L139 PolarHBondContact O-N 3.06Å; T135-L139 VanDerWaalsContact O-N 3.17Å
136L88.6Confident87.5Confident25 Ų2593.4 Ų93.413%0.13145%0.449CS..Hα-helixtrans-65.3-38178.1-76.3171.7000112.9I132 F133 T134 L139 V147 F237I132-L136 HydrophobicContact CG1-CD1 4.08Å; I132-L136 HydrophobicContact CG1-CG 4.26Å; I132-L136 WeakPolarHBondContact O-CB 3.46Å; I132-L136 WeakPolarHBondContact O-CG 3.44Å; I132-L136 PolarHBondContact O-N 3.18Å; F133-L136 PolarHBondContact O-N 3.32Å; T134-L136 VanDerWaalsContact C-N 3.34Å; T134-L136 PolarHBondContact O-N 3.37Å; L136-L139 HydrophobicContact CD2-CD1 4.25Å; L136-V147 HydrophobicContact CD2-CB 4.32Å; L136-V147 HydrophobicContact CD2-CG1 3.6Å; L136-V147 HydrophobicContact CD2-CG2 4.46Å; L136-F237 HydrophobicContact CD1-CE1 3.67Å; L136-F237 HydrophobicContact CD1-CZ 3.74Å
137V89.3Confident88.2Confident4 Ų490 Ų902%0.02444%0.44CS..Hα-helixtrans-70.5-39.4178.6179.70000110.6F133 T134 T135 L139 V244 K245 Q248F133-V137 HydrophobicContact CE1-CG2 4.26Å; F133-V137 HydrophobicContact CZ-CG2 4.26Å; F133-V137 WeakPolarHBondContact O-CG2 2.94Å; F133-V137 PolarHBondContact O-N 3.18Å; F133-V137 VanDerWaalsContact O-N 3.15Å; T134-V137 PolarHBondContact O-N 3.48Å; T134-V137 VanDerWaalsContact O-N 3.16Å; T135-V137 PolarHBondContact O-N 3.37Å; V137-L139 VanDerWaalsContact C-N 3.35Å; V137-L139 PolarHBondContact O-N 3.38Å; V137-V244 HydrophobicContact CG1-CG1 3.97Å; V137-V244 HydrophobicContact CG2-CB 4.48Å; V137-V244 HydrophobicContact CG2-CG1 4.22Å; V137-K245 HydrophobicContact CG1-CB 4.22Å; V137-K245 PolarHBondContact O-NZ 3.25Å; V137-Q248 HydrophobicContact CG1-CG 4.33Å
138D87.8Confident88.7Confident114 Ų11486 Ų8661%0.6143%0.427SS*.Hα-helixtrans-77.7-15.8-177-75.2-9.5000114.1T134 T135T134-D138 WeakPolarHBondContact O-CB 3.32Å; T134-D138 PolarHBondContact O-N 2.92Å; T135-D138 PolarHBondContact O-N 3.41Å
139L88.5Confident89.5Confident59 Ų5984.3 Ų84.331%0.30943%0.429SS..SBendtrans-56.9150.9174.9-81.9172.4000112.4T135 L136 V137 C143 V147 K245T135-L139 WeakPolarHBondContact O-CG 3.48Å; T135-L139 PolarHBondContact O-N 3.06Å; T135-L139 VanDerWaalsContact O-N 3.17Å; L136-L139 HydrophobicContact CD2-CD1 4.25Å; V137-L139 VanDerWaalsContact C-N 3.35Å; V137-L139 PolarHBondContact O-N 3.38Å; L139-C143 HydrophobicContact CB-CB 4.2Å; L139-C143 HydrophobicContact CD1-CB 4.38Å; L139-C143 HydrophobicContact CD2-CB 4.09Å; L139-C143 HydrophobicContact CG-CB 4.47Å; L139-V147 HydrophobicContact CD1-CG2 4.41Å; L139-K245 WeakPolarHBondContact O-CE 3.02Å; L139-K245 PolarHBondContact O-NZ 3.5Å
140N91.3Very high90.3Very high125 Ų12581.8 Ų81.867%0.66842%0.415SS*.  trans-56.5149.4171.1-70.5-31.2000111.4R142 C143 S144N140-R142 PolarHBondContact O-N 3.24Å; N140-R142 VanDerWaalsContact O-N 3.11Å; N140-C143 PolarHBondContact O-N 2.89Å; N140-S144 WeakPolarHBondContact O-CB 3.37Å; N140-S144 PolarHBondContact O-N 2.83Å
141W90Very high90.7Very high110 Ų11077.3 Ų77.342%0.41739%0.39SS..Hα-helixtrans-49.8-40.6178.8-84.598.3000113.7S144 L145 K245 I246W141-S144 PolarHBondContact O-N 2.79Å; W141-L145 WeakPolarHBondContact O-CB 3.26Å; W141-L145 VanDerWaalsContact O-CG 3.28Å; W141-L145 WeakPolarHBondContact O-CG 3.15Å; W141-L145 PolarHBondContact O-N 3.04Å; W141-K245 HydrophobicContact CD2-CD 4.46Å; W141-K245 HydrophobicContact CE3-CD 4.4Å; W141-K245 HydrophobicContact CH2-CD 4.3Å; W141-K245 HydrophobicContact CH2-CG 4.16Å; W141-K245 HydrophobicContact CZ2-CD 4.36Å; W141-K245 HydrophobicContact CZ2-CG 4Å; W141-K245 HydrophobicContact CZ3-CD 4.32Å; W141-I246 HydrophobicContact CH2-CG1 3.7Å; W141-I246 HydrophobicContact CZ2-CG1 4.46Å
142R93Very high91Very high222 Ų22275 Ų7584%0.83838%0.376SS*.Hα-helixtrans-62.9-45.6177.2-62.3-177.7-177.7129.70.3112.4N140 F146N140-R142 PolarHBondContact O-N 3.24Å; N140-R142 VanDerWaalsContact O-N 3.11Å; R142-F146 WeakPolarHBondContact O-CB 3.48Å; R142-F146 PolarHBondContact O-N 2.92Å
143C92.8Very high91.4Very high55 Ų5571.7 Ų71.737%0.37236%0.363SS..Hα-helixtrans-69.8-41178.9-58.70000111L139 N140 F146 V147L139-C143 HydrophobicContact CB-CB 4.2Å; L139-C143 HydrophobicContact CD1-CB 4.38Å; L139-C143 HydrophobicContact CD2-CB 4.09Å; L139-C143 HydrophobicContact CG-CB 4.47Å; N140-C143 PolarHBondContact O-N 2.89Å; C143-F146 PolarHBondContact O-N 3.17Å; C143-V147 WeakPolarHBondContact O-CG2 3.28Å; C143-V147 PolarHBondContact O-N 2.83Å
144S91.1Very high91.8Very high27 Ų2771.8 Ų71.819%0.18937%0.37CS..Hα-helixtrans-61.3-46.4177179.40000111.7N140 W141 F146 V147 F148 K245N140-S144 WeakPolarHBondContact O-CB 3.37Å; N140-S144 PolarHBondContact O-N 2.83Å; W141-S144 PolarHBondContact O-N 2.79Å; S144-F146 PolarHBondContact O-N 3.04Å; S144-V147 PolarHBondContact O-N 2.73Å; S144-F148 WeakPolarHBondContact O-CB 3.34Å; S144-F148 PolarHBondContact O-N 3.01Å; S144-K245 WeakPolarHBondContact OG-CD 3.45Å
145L92.1Very high92.2Very high87 Ų8770.2 Ų70.246%0.45536%0.36SS..Hα-helixtrans-63.8-39.6174.3-72.6171.1000112.4W141 F148 V149W141-L145 WeakPolarHBondContact O-CB 3.26Å; W141-L145 VanDerWaalsContact O-CG 3.28Å; W141-L145 WeakPolarHBondContact O-CG 3.15Å; W141-L145 PolarHBondContact O-N 3.04Å; L145-F148 WeakPolarHBondContact O-CB 3.42Å; L145-F148 PolarHBondContact O-N 2.89Å; L145-V149 WeakPolarHBondContact O-CG2 3.47Å; L145-V149 PolarHBondContact O-N 2.88Å
146F94.1Very high92.5Very high134 Ų13471 Ų7159%0.58836%0.358SS*.Hα-helixtrans-62.1-46175.4177.2-100.1000111.7R142 C143 S144 F148 V149 M150R142-F146 WeakPolarHBondContact O-CB 3.48Å; R142-F146 PolarHBondContact O-N 2.92Å; C143-F146 PolarHBondContact O-N 3.17Å; S144-F146 PolarHBondContact O-N 3.04Å; F146-F148 VanDerWaalsContact C-N 3.31Å; F146-F148 PolarHBondContact O-N 3.39Å; F146-V149 PolarHBondContact O-N 2.81Å; F146-M150 HydrophobicContact CD1-CG 4.09Å; F146-M150 HydrophobicContact CD2-CG 4.24Å; F146-M150 HydrophobicContact CE1-CG 3.65Å; F146-M150 HydrophobicContact CE2-CG 3.81Å; F146-M150 HydrophobicContact CE2-SD 4.13Å; F146-M150 HydrophobicContact CG-CG 4.37Å; F146-M150 HydrophobicContact CZ-CG 3.5Å; F146-M150 HydrophobicContact CZ-SD 3.93Å; F146-M150 WeakPolarHBondContact O-CB 3.09Å; F146-M150 VanDerWaalsContact O-CG 3.26Å; F146-M150 WeakPolarHBondContact O-CG 3.44Å; F146-M150 PolarHBondContact O-N 3.01Å
147V92.8Very high92.8Very high47 Ų4773.7 Ų73.729%0.28537%0.372SS..Hα-helixtrans-62.7-39.5176.8173.60000111.3L136 L139 C143 S144 M150 A151L136-V147 HydrophobicContact CD2-CB 4.32Å; L136-V147 HydrophobicContact CD2-CG1 3.6Å; L136-V147 HydrophobicContact CD2-CG2 4.46Å; L139-V147 HydrophobicContact CD1-CG2 4.41Å; C143-V147 WeakPolarHBondContact O-CG2 3.28Å; C143-V147 PolarHBondContact O-N 2.83Å; S144-V147 PolarHBondContact O-N 2.73Å; V147-M150 PolarHBondContact O-N 3.11Å; V147-A151 WeakPolarHBondContact O-CB 3.34Å; V147-A151 PolarHBondContact O-N 2.99Å
148F92.6Very high93.1Very high61 Ų6179.3 Ų79.327%0.26840%0.396SS..Hα-helixtrans-58.1-53.8175.1-177.4-89.3000111.5S144 L145 F146 M150 A151 Y152 M238 M242S144-F148 WeakPolarHBondContact O-CB 3.34Å; S144-F148 PolarHBondContact O-N 3.01Å; L145-F148 WeakPolarHBondContact O-CB 3.42Å; L145-F148 PolarHBondContact O-N 2.89Å; F146-F148 VanDerWaalsContact C-N 3.31Å; F146-F148 PolarHBondContact O-N 3.39Å; F148-M150 VanDerWaalsContact C-N 3.33Å; F148-M150 PolarHBondContact O-N 3.04Å; F148-A151 PolarHBondContact O-N 2.82Å; F148-Y152 HydrophobicContact CD1-CD2 4.07Å; F148-Y152 HydrophobicContact CD1-CE2 4.03Å; F148-Y152 AromaticContact CD2-CE2 3.91Å; F148-Y152 HydrophobicContact CD2-CE2 3.91Å; F148-Y152 AromaticContact CE1-CD2 3.88Å; F148-Y152 HydrophobicContact CE1-CD2 3.88Å; F148-Y152 AromaticContact CE1-CE2 3.59Å; F148-Y152 HydrophobicContact CE1-CE2 3.59Å; F148-Y152 HydrophobicContact CE2-CD2 4.43Å; F148-Y152 AromaticContact CE2-CE2 3.49Å; F148-Y152 HydrophobicContact CE2-CE2 3.49Å; F148-Y152 VanDerWaalsContact CE2-CE2 3.49Å; F148-Y152 HydrophobicContact CG-CD2 4.41Å; F148-Y152 HydrophobicContact CG-CE2 4.19Å; F148-Y152 HydrophobicContact CZ-CD2 4.08Å; F148-Y152 AromaticContact CZ-CE2 3.3Å; F148-Y152 HydrophobicContact CZ-CE2 3.3Å; F148-Y152 VanDerWaalsContact O-CD2 3.28Å; F148-Y152 WeakPolarHBondContact O-CD2 3.28Å; F148-Y152 PolarHBondContact O-N 2.9Å; F148-M238 HydrophobicContact CD2-CB 3.98Å; F148-M238 HydrophobicContact CD2-CG 4.46Å; F148-M238 HydrophobicContact CD2-SD 4.32Å; F148-M238 HydrophobicContact CE2-CB 3.88Å; F148-M242 HydrophobicContact CE2-SD 4.47Å
149V94.3Very high93.4Very high94 Ų9474.2 Ų74.257%0.5737%0.369SS*.Hα-helixtrans-60.8-43.8178.6173.40000111.2L145 F146 A151 A153L145-V149 WeakPolarHBondContact O-CG2 3.47Å; L145-V149 PolarHBondContact O-N 2.88Å; F146-V149 PolarHBondContact O-N 2.81Å; V149-A151 VanDerWaalsContact C-N 3.34Å; V149-A151 PolarHBondContact O-N 3.39Å; V149-A153 VanDerWaalsContact O-CB 3.26Å; V149-A153 WeakPolarHBondContact O-CB 3.34Å; V149-A153 PolarHBondContact O-N 2.94Å
150M94.7Very high93.6Very high82 Ų8271.4 Ų71.440%0.40435%0.354SS..Hα-helixtrans-64.1-37.9179-75.4-58.8-56.600112.5F146 V147 F148 A153 V154F146-M150 HydrophobicContact CD1-CG 4.09Å; F146-M150 HydrophobicContact CD2-CG 4.24Å; F146-M150 HydrophobicContact CE1-CG 3.65Å; F146-M150 HydrophobicContact CE2-CG 3.81Å; F146-M150 HydrophobicContact CE2-SD 4.13Å; F146-M150 HydrophobicContact CG-CG 4.37Å; F146-M150 HydrophobicContact CZ-CG 3.5Å; F146-M150 HydrophobicContact CZ-SD 3.93Å; F146-M150 WeakPolarHBondContact O-CB 3.09Å; F146-M150 VanDerWaalsContact O-CG 3.26Å; F146-M150 WeakPolarHBondContact O-CG 3.44Å; F146-M150 PolarHBondContact O-N 3.01Å; V147-M150 PolarHBondContact O-N 3.11Å; F148-M150 VanDerWaalsContact C-N 3.33Å; F148-M150 PolarHBondContact O-N 3.04Å; M150-A153 PolarHBondContact O-N 2.71Å; M150-V154 HydrophobicContact CE-CG2 4.31Å; M150-V154 WeakPolarHBondContact O-CB 3.29Å; M150-V154 WeakPolarHBondContact O-CG2 3.39Å; M150-V154 PolarHBondContact O-N 3.45Å
151A93.6Very high93.7Very high21 Ų2167.5 Ų67.517%0.17434%0.339CS..Hα-helixtrans-63.8-48.8179.900000112V147 F148 V149 V154 T155 M238V147-A151 WeakPolarHBondContact O-CB 3.34Å; V147-A151 PolarHBondContact O-N 2.99Å; F148-A151 PolarHBondContact O-N 2.82Å; V149-A151 VanDerWaalsContact C-N 3.34Å; V149-A151 PolarHBondContact O-N 3.39Å; A151-V154 PolarHBondContact O-N 3.37Å; A151-T155 WeakPolarHBondContact O-CG2 3.34Å; A151-T155 PolarHBondContact O-N 2.77Å; A151-T155 PolarHBondContact O-OG1 2.88Å; A151-M238 HydrophobicContact CB-CE 3.25Å; A151-M238 HydrophobicContact CB-SD 4.2Å
152Y94.6Very high93.8Very high28 Ų2864.5 Ų64.511%0.1133%0.331CS..Hα-helixtrans-65.6-41.3175.2-73-75.2000112.2F148 V154 T155 W156 N235 M238F148-Y152 HydrophobicContact CD1-CD2 4.07Å; F148-Y152 HydrophobicContact CD1-CE2 4.03Å; F148-Y152 AromaticContact CD2-CE2 3.91Å; F148-Y152 HydrophobicContact CD2-CE2 3.91Å; F148-Y152 AromaticContact CE1-CD2 3.88Å; F148-Y152 HydrophobicContact CE1-CD2 3.88Å; F148-Y152 AromaticContact CE1-CE2 3.59Å; F148-Y152 HydrophobicContact CE1-CE2 3.59Å; F148-Y152 HydrophobicContact CE2-CD2 4.43Å; F148-Y152 AromaticContact CE2-CE2 3.49Å; F148-Y152 HydrophobicContact CE2-CE2 3.49Å; F148-Y152 VanDerWaalsContact CE2-CE2 3.49Å; F148-Y152 HydrophobicContact CG-CD2 4.41Å; F148-Y152 HydrophobicContact CG-CE2 4.19Å; F148-Y152 HydrophobicContact CZ-CD2 4.08Å; F148-Y152 AromaticContact CZ-CE2 3.3Å; F148-Y152 HydrophobicContact CZ-CE2 3.3Å; F148-Y152 VanDerWaalsContact O-CD2 3.28Å; F148-Y152 WeakPolarHBondContact O-CD2 3.28Å; F148-Y152 PolarHBondContact O-N 2.9Å; Y152-V154 VanDerWaalsContact C-N 3.3Å; Y152-V154 PolarHBondContact O-N 3.01Å; Y152-T155 WeakPolarHBondContact CA-OG1 3.47Å; Y152-T155 PolarHBondContact O-N 2.91Å; Y152-T155 PolarHBondContact O-OG1 2.91Å; Y152-W156 HydrophobicContact CD1-CZ2 4.12Å; Y152-W156 HydrophobicContact CG-CZ2 4.22Å; Y152-W156 WeakPolarHBondContact O-CB 3.32Å; Y152-W156 PolarHBondContact O-N 2.82Å; Y152-N235 PolarHBondContact OH-OD1 3.24Å; Y152-M238 HydrophobicContact CE2-CB 4.14Å; Y152-M238 HydrophobicContact CE2-CG 4.22Å
153A94.9Very high93.7Very high28 Ų2854.2 Ų54.223%0.23129%0.292CS..Hα-helixtrans-60.8-40.9177.100000111.7V149 M150 L157V149-A153 VanDerWaalsContact O-CB 3.26Å; V149-A153 WeakPolarHBondContact O-CB 3.34Å; V149-A153 PolarHBondContact O-N 2.94Å; M150-A153 PolarHBondContact O-N 2.71Å; A153-L157 VanDerWaalsContact O-CB 3.27Å; A153-L157 WeakPolarHBondContact O-CB 3.48Å; A153-L157 WeakPolarHBondContact O-CG 3.28Å; A153-L157 PolarHBondContact O-N 2.79Å
154V95.8Very high93.5Very high83 Ų8355.3 Ų55.350%0.50329%0.289SS..Hα-helixtrans-68.2-41.6178169.30000111.5M150 A151 Y152 L157 F158M150-V154 HydrophobicContact CE-CG2 4.31Å; M150-V154 WeakPolarHBondContact O-CB 3.29Å; M150-V154 WeakPolarHBondContact O-CG2 3.39Å; M150-V154 PolarHBondContact O-N 3.45Å; A151-V154 PolarHBondContact O-N 3.37Å; Y152-V154 VanDerWaalsContact C-N 3.3Å; Y152-V154 PolarHBondContact O-N 3.01Å; V154-L157 PolarHBondContact O-N 3.47Å; V154-F158 WeakPolarHBondContact O-CB 3.42Å; V154-F158 PolarHBondContact O-N 3.43Å
155T94.8Very high93.4Very high22 Ų2258.6 Ų58.614%0.13530%0.304CS..Hα-helixtrans-64.3-46.2176.454.10000111.4A151 Y152 L157 F158 F159 E203 V234A151-T155 WeakPolarHBondContact O-CG2 3.34Å; A151-T155 PolarHBondContact O-N 2.77Å; A151-T155 PolarHBondContact O-OG1 2.88Å; Y152-T155 WeakPolarHBondContact CA-OG1 3.47Å; Y152-T155 PolarHBondContact O-N 2.91Å; Y152-T155 PolarHBondContact O-OG1 2.91Å; T155-L157 PolarHBondContact O-N 3.28Å; T155-F158 PolarHBondContact O-N 3.09Å; T155-F159 WeakPolarHBondContact O-CD2 3.4Å; T155-F159 PolarHBondContact O-N 3.14Å; T155-E203 WeakPolarHBondContact CB-OE1 3.37Å; T155-E203 PolarHBondContact OG1-OE1 2.84Å; T155-V234 HydrophobicContact CG2-CG1 4.3Å; T155-V234 HydrophobicContact CG2-CG2 4.23Å
156W95.4Very high93.1Very high63 Ų6355.7 Ų55.724%0.23929%0.289CS..Hα-helixtrans-62.4-40.9177.3-59.8-19.4000112.8Y152 G160 F196 S199 I200 E203 T204Y152-W156 HydrophobicContact CD1-CZ2 4.12Å; Y152-W156 HydrophobicContact CG-CZ2 4.22Å; Y152-W156 WeakPolarHBondContact O-CB 3.32Å; Y152-W156 PolarHBondContact O-N 2.82Å; W156-G160 WeakPolarHBondContact O-CA 3.46Å; W156-G160 PolarHBondContact O-N 3.29Å; W156-F196 HydrophobicContact CB-CD2 4.38Å; W156-F196 HydrophobicContact CB-CE2 3.64Å; W156-F196 HydrophobicContact CB-CZ 4.32Å; W156-S199 PolarHBondContact O-OG 3.21Å; W156-I200 HydrophobicContact CB-CG1 4Å; W156-I200 HydrophobicContact CD2-CD1 4.39Å; W156-I200 HydrophobicContact CD2-CG1 3.78Å; W156-I200 HydrophobicContact CE3-CD1 4.1Å; W156-I200 HydrophobicContact CE3-CG1 4.01Å; W156-I200 HydrophobicContact CG-CG1 3.78Å; W156-E203 VanDerWaalsContact CD1-CD 3.45Å; W156-E203 VanDerWaalsContact CD1-OE1 3.29Å; W156-E203 PolarHBondContact NE1-OE1 2.9Å; W156-T204 HydrophobicContact CZ2-CG2 3.84Å
157L95.5Very high92.5Very high81 Ų8149.9 Ų49.942%0.42427%0.265SS..Hα-helixtrans-68.8-39.4176.1-74.4171.6000111.8A153 V154 T155 A161 F192 F196A153-L157 VanDerWaalsContact O-CB 3.27Å; A153-L157 WeakPolarHBondContact O-CB 3.48Å; A153-L157 WeakPolarHBondContact O-CG 3.28Å; A153-L157 PolarHBondContact O-N 2.79Å; V154-L157 PolarHBondContact O-N 3.47Å; T155-L157 PolarHBondContact O-N 3.28Å; L157-A161 WeakPolarHBondContact O-CB 3.35Å; L157-A161 PolarHBondContact O-N 2.9Å; L157-F192 HydrophobicContact CD2-CZ 4.23Å; L157-F196 HydrophobicContact CD2-CD2 3.84Å; L157-F196 HydrophobicContact CD2-CE2 3.64Å; L157-F196 HydrophobicContact CD2-CZ 4.4Å; L157-F196 HydrophobicContact CG-CD2 4.44Å; L157-F196 HydrophobicContact CG-CE2 3.9Å
158F95.3Very high91.9Very high123 Ų12354 Ų5454%0.53928%0.276SS..Hα-helixtrans-63.9-52.9178.6175.9-104.6000111.4V154 T155 A161 I162V154-F158 WeakPolarHBondContact O-CB 3.42Å; V154-F158 PolarHBondContact O-N 3.43Å; T155-F158 PolarHBondContact O-N 3.09Å; F158-A161 PolarHBondContact O-N 2.84Å; F158-I162 HydrophobicContact CD1-CD1 3.94Å; F158-I162 HydrophobicContact CD2-CD1 4.47Å; F158-I162 HydrophobicContact CE1-CD1 3.47Å; F158-I162 VanDerWaalsContact CE1-CD1 3.47Å; F158-I162 HydrophobicContact CE2-CD1 4.06Å; F158-I162 HydrophobicContact CG-CD1 4.43Å; F158-I162 HydrophobicContact CZ-CD1 3.55Å; F158-I162 WeakPolarHBondContact O-CG1 3.34Å; F158-I162 PolarHBondContact O-N 3.36Å
159F94.4Very high91.1Very high7 Ų755.4 Ų55.43%0.03129%0.293CS..Hα-helixtrans-67.8-39177.3-77.5-69.8000112.1T155 A161 I162 W163 S199 L223 Q227 L230T155-F159 WeakPolarHBondContact O-CD2 3.4Å; T155-F159 PolarHBondContact O-N 3.14Å; F159-A161 VanDerWaalsContact C-N 3.3Å; F159-A161 PolarHBondContact O-N 2.62Å; F159-I162 PolarHBondContact O-N 2.88Å; F159-I162 VanDerWaalsContact O-N 3.13Å; F159-W163 PolarHBondContact O-N 3.23Å; F159-S199 WeakPolarHBondContact CB-OG 3.3Å; F159-L223 HydrophobicContact CD1-CD1 4.05Å; F159-L223 HydrophobicContact CE1-CD1 4.08Å; F159-Q227 HydrophobicContact CB-CG 4.39Å; F159-Q227 HydrophobicContact CD1-CB 3.78Å; F159-Q227 HydrophobicContact CD1-CG 3.79Å; F159-Q227 HydrophobicContact CD2-CG 3.91Å; F159-Q227 HydrophobicContact CE1-CB 3.62Å; F159-Q227 HydrophobicContact CE1-CG 3.96Å; F159-Q227 HydrophobicContact CE2-CB 4.47Å; F159-Q227 HydrophobicContact CE2-CG 4.08Å; F159-Q227 HydrophobicContact CG-CB 4.3Å; F159-Q227 HydrophobicContact CG-CG 3.77Å; F159-Q227 HydrophobicContact CZ-CB 3.99Å; F159-Q227 HydrophobicContact CZ-CG 4.11Å; F159-L230 HydrophobicContact CE2-CB 4.5Å; F159-L230 HydrophobicContact CZ-CB 4.16Å; F159-L230 HydrophobicContact CZ-CD1 3.93Å
160G93.7Very high90Very high0 Ų055.6 Ų55.60%028%0.283CS..Hα-helixtrans-59-39.5173.500000113W156 W163 Y164 S199W156-G160 WeakPolarHBondContact O-CA 3.46Å; W156-G160 PolarHBondContact O-N 3.29Å; G160-W163 PolarHBondContact O-N 3.32Å; G160-Y164 WeakPolarHBondContact O-CB 3.34Å; G160-Y164 PolarHBondContact O-N 2.9Å; G160-S199 PolarHBondContact N-OG 3.43Å
161A93Very high88Confident43 Ų4361.5 Ų61.536%0.35530%0.301SS..Hα-helixtrans-67.9-37.9174.300000112.4L157 F158 F159 Y164 L165 F192L157-A161 WeakPolarHBondContact O-CB 3.35Å; L157-A161 PolarHBondContact O-N 2.9Å; F158-A161 PolarHBondContact O-N 2.84Å; F159-A161 VanDerWaalsContact C-N 3.3Å; F159-A161 PolarHBondContact O-N 2.62Å; A161-Y164 PolarHBondContact O-N 3.17Å; A161-L165 VanDerWaalsContact O-CB 3.28Å; A161-L165 WeakPolarHBondContact O-CB 3.42Å; A161-L165 PolarHBondContact O-N 3.3Å; A161-F192 HydrophobicContact CB-CE2 4.34Å
162I92.3Very high86.2Confident46 Ų4661 Ų6124%0.23630%0.298CS..Hα-helixtrans-67.4-43.3175-62.6168.5000110.6F158 F159 Y164 L165 I166 L223F158-I162 HydrophobicContact CD1-CD1 3.94Å; F158-I162 HydrophobicContact CD2-CD1 4.47Å; F158-I162 HydrophobicContact CE1-CD1 3.47Å; F158-I162 VanDerWaalsContact CE1-CD1 3.47Å; F158-I162 HydrophobicContact CE2-CD1 4.06Å; F158-I162 HydrophobicContact CG-CD1 4.43Å; F158-I162 HydrophobicContact CZ-CD1 3.55Å; F158-I162 WeakPolarHBondContact O-CG1 3.34Å; F158-I162 PolarHBondContact O-N 3.36Å; F159-I162 PolarHBondContact O-N 2.88Å; F159-I162 VanDerWaalsContact O-N 3.13Å; I162-Y164 VanDerWaalsContact C-N 3.33Å; I162-Y164 PolarHBondContact O-N 2.91Å; I162-L165 WeakPolarHBondContact O-CB 3.44Å; I162-L165 PolarHBondContact O-N 2.91Å; I162-L165 VanDerWaalsContact O-N 3.15Å; I162-I166 HydrophobicContact CG2-CD1 4.1Å; I162-I166 HydrophobicContact CG2-CG1 4.43Å; I162-I166 WeakPolarHBondContact O-CG1 3.39Å; I162-I166 PolarHBondContact O-N 2.9Å; I162-L223 HydrophobicContact CB-CD2 4.22Å; I162-L223 HydrophobicContact CG2-CD1 3.88Å; I162-L223 HydrophobicContact CG2-CD2 3.49Å; I162-L223 VanDerWaalsContact CG2-CD2 3.49Å; I162-L223 HydrophobicContact CG2-CG 4.36Å
163W90.6Very high84.4Confident7 Ų760.6 Ų60.63%0.02730%0.297CS..Hα-helixtrans-59.9-43.9174.9-81.1114000111.9F159 G160 L165 I166 A167 V186 A195 F198 I213 G220 L223 L224F159-W163 PolarHBondContact O-N 3.23Å; G160-W163 PolarHBondContact O-N 3.32Å; W163-L165 VanDerWaalsContact C-N 3.35Å; W163-I166 PolarHBondContact O-N 2.91Å; W163-A167 WeakPolarHBondContact O-CB 3.2Å; W163-A167 PolarHBondContact O-N 2.8Å; W163-V186 HydrophobicContact CE3-CG2 3.8Å; W163-V186 HydrophobicContact CH2-CG2 4.31Å; W163-V186 HydrophobicContact CZ3-CG2 3.53Å; W163-A195 HydrophobicContact CB-CB 4.25Å; W163-F198 AromaticContact CD2-CD1 3.94Å; W163-F198 HydrophobicContact CD2-CD1 3.94Å; W163-F198 AromaticContact CD2-CE1 3.82Å; W163-F198 HydrophobicContact CD2-CE1 3.82Å; W163-F198 AromaticContact CE2-CE1 3.64Å; W163-F198 HydrophobicContact CE3-CD1 4.38Å; W163-F198 HydrophobicContact CE3-CE1 4.03Å; W163-F198 HydrophobicContact CG-CD1 4.13Å; W163-F198 HydrophobicContact CG-CE1 4.46Å; W163-F198 AromaticContact CH2-CE1 3.95Å; W163-F198 HydrophobicContact CH2-CE1 3.95Å; W163-F198 AromaticContact CZ2-CE1 3.73Å; W163-F198 HydrophobicContact CZ2-CE1 3.73Å; W163-F198 HydrophobicContact CZ3-CE1 4.1Å; W163-I213 HydrophobicContact CH2-CD1 3.89Å; W163-G220 WeakPolarHBondContact CH2-O 3.43Å; W163-L223 HydrophobicContact CD2-CD2 3.76Å; W163-L223 HydrophobicContact CE3-CD2 4.21Å; W163-L223 HydrophobicContact CG-CD2 4.15Å; W163-L223 HydrophobicContact CH2-CB 4.5Å; W163-L223 HydrophobicContact CH2-CD2 4.34Å; W163-L223 HydrophobicContact CZ2-CB 4.29Å; W163-L223 HydrophobicContact CZ2-CD2 3.89Å; W163-L223 HydrophobicContact CZ2-CG 4.1Å; W163-L223 HydrophobicContact CZ3-CD2 4.48Å; W163-L224 HydrophobicContact CZ2-CB 4.3Å
164Y89.1Confident82.5Confident78 Ų7861.9 Ų61.931%0.30630%0.3SS..Hα-helixtrans-62.8-41.2173.6-178.2-105.9000112G160 A161 I162 A167 Y168 F192G160-Y164 WeakPolarHBondContact O-CB 3.34Å; G160-Y164 PolarHBondContact O-N 2.9Å; A161-Y164 PolarHBondContact O-N 3.17Å; I162-Y164 VanDerWaalsContact C-N 3.33Å; I162-Y164 PolarHBondContact O-N 2.91Å; Y164-A167 PolarHBondContact O-N 3Å; Y164-Y168 VanDerWaalsContact O-CB 3.28Å; Y164-Y168 WeakPolarHBondContact O-CB 3.45Å; Y164-Y168 PolarHBondContact O-N 2.74Å; Y164-F192 HydrophobicContact CD1-CD2 4.2Å; Y164-F192 HydrophobicContact CD2-CB 4.08Å; Y164-F192 HydrophobicContact CD2-CD2 4.49Å; Y164-F192 HydrophobicContact CE2-CB 4.19Å; Y164-F192 HydrophobicContact CG-CB 4.38Å; Y164-F192 AromaticContact CG-CD2 3.98Å; Y164-F192 HydrophobicContact CG-CD2 3.98Å
165L88.3Confident80.6Confident95 Ų9563.9 Ų63.950%0.49731%0.308SS..Hα-helixtrans-65.5-38.4177.4-175.266000112A161 I162 W163 Y168 C169A161-L165 VanDerWaalsContact O-CB 3.28Å; A161-L165 WeakPolarHBondContact O-CB 3.42Å; A161-L165 PolarHBondContact O-N 3.3Å; I162-L165 WeakPolarHBondContact O-CB 3.44Å; I162-L165 PolarHBondContact O-N 2.91Å; I162-L165 VanDerWaalsContact O-N 3.15Å; W163-L165 VanDerWaalsContact C-N 3.35Å; L165-Y168 PolarHBondContact O-N 3.45Å; L165-C169 VanDerWaalsContact CD1-SG 3.58Å; L165-C169 WeakPolarHBondContact O-CB 3.23Å; L165-C169 PolarHBondContact O-N 3.41Å; L165-C169 PolarHBondContact O-SG 2.74Å; L165-C169 VanDerWaalsContact O-SG 3.35Å
166I85.1Confident78.8Confident27 Ų2766.9 Ų66.914%0.13832%0.32CS..Hα-helixtrans-64.5-46.3175.2-71.2172.5000110.2I162 W163 Y168 R170 V219 L223I162-I166 HydrophobicContact CG2-CD1 4.1Å; I162-I166 HydrophobicContact CG2-CG1 4.43Å; I162-I166 WeakPolarHBondContact O-CG1 3.39Å; I162-I166 PolarHBondContact O-N 2.9Å; W163-I166 PolarHBondContact O-N 2.91Å; I166-Y168 VanDerWaalsContact C-N 3.28Å; I166-Y168 PolarHBondContact O-N 3.19Å; I166-R170 VanDerWaalsContact O-CB 3.3Å; I166-R170 WeakPolarHBondContact O-CB 3.46Å; I166-R170 PolarHBondContact O-N 3.07Å; I166-V219 HydrophobicContact CD1-CG1 4.13Å; I166-L223 HydrophobicContact CD1-CB 4.42Å; I166-L223 HydrophobicContact CD1-CD2 3.49Å; I166-L223 VanDerWaalsContact CD1-CD2 3.49Å
167A81.3Confident76.9Confident11 Ų1168.7 Ų68.79%0.09133%0.334CS..Hα-helixtrans-61.6-35.917600000112.2W163 Y164W163-A167 WeakPolarHBondContact O-CB 3.2Å; W163-A167 PolarHBondContact O-N 2.8Å; Y164-A167 PolarHBondContact O-N 3Å
168Y80.5Confident75.1Confident134 Ų13473.9 Ų73.953%0.52536%0.356SS..Hα-helixtrans-77.8-45.2179.3-176.7-98.7000113.6Y164 L165 I166Y164-Y168 VanDerWaalsContact O-CB 3.28Å; Y164-Y168 WeakPolarHBondContact O-CB 3.45Å; Y164-Y168 PolarHBondContact O-N 2.74Å; L165-Y168 PolarHBondContact O-N 3.45Å; I166-Y168 VanDerWaalsContact C-N 3.28Å; I166-Y168 PolarHBondContact O-N 3.19Å
169C76.8Confident73.4Confident91 Ų9172.2 Ų72.262%0.61535%0.353SS*.Hα-helixtrans-69.3-34.6-178.7-76.90000112L165 R171L165-C169 VanDerWaalsContact CD1-SG 3.58Å; L165-C169 WeakPolarHBondContact O-CB 3.23Å; L165-C169 PolarHBondContact O-N 3.41Å; L165-C169 PolarHBondContact O-SG 2.74Å; L165-C169 VanDerWaalsContact O-SG 3.35Å; C169-R171 PolarHBondContact O-N 3.43Å
170R70.6Confident71.8Confident98 Ų9881.5 Ų81.537%0.3740%0.396SS..SBendtrans-83.171.5171.2-151.5178.1-167.7-176.1-0.2107.7I166 G172 D173 C185 Q216 C217I166-R170 VanDerWaalsContact O-CB 3.3Å; I166-R170 WeakPolarHBondContact O-CB 3.46Å; I166-R170 PolarHBondContact O-N 3.07Å; R170-G172 PolarHBondContact O-N 3.04Å; R170-D173 PolarHBondContact O-N 3.46Å; R170-C185 PolarHBondContact NH1-SG 2.88Å; R170-Q216 PolarHBondContact NH1-O 2.84Å; R170-Q216 PolarHBondContact NH2-O 2.77Å; R170-C217 VanDerWaalsContact NH1-CA 3.32Å; R170-C217 PolarHBondContact NH1-SG 3.09Å
171R52.8Low70.3Confident206 Ų20686.4 Ų86.478%0.77744%0.437SS*.THydrogen-bonded Turntrans-48.217.5-170.9-133-179.9-160.1175.83.5118.3C169C169-R171 PolarHBondContact O-N 3.43Å
172G55.3Low69.1Low10 Ų1089.8 Ų89.810%0.10344%0.441CS..THydrogen-bonded Turntrans-113-20.8176.100000114.8R170 H176R170-G172 PolarHBondContact O-N 3.04Å; G172-H176 PolarHBondContact O-N 2.78Å; G172-H176 PolarHBondContact O-ND1 3.26Å; G172-H176 VanDerWaalsContact O-ND1 3.12Å
173D56.3Low68Low19 Ų1991.1 Ų91.110%0.10245%0.451CS..THydrogen-bonded Turntrans-76.9-29.7-173.7-72.810.9000113.4R170 W182 P184 C185R170-D173 PolarHBondContact O-N 3.46Å; D173-W182 PolarHBondContact OD1-NE1 2.8Å; D173-P184 HydrophobicContact CB-CB 3.96Å; D173-P184 WeakPolarHBondContact OD1-CA 3.32Å; D173-P184 WeakPolarHBondContact OD2-CA 3.26Å; D173-P184 VanDerWaalsContact OD2-CB 3.3Å; D173-P184 WeakPolarHBondContact OD2-CB 3.22Å; D173-C185 PolarHBondContact OD2-N 2.85Å
174L55.2Low67.4Low55 Ų5592.2 Ų92.229%0.28846%0.459SS..THydrogen-bonded Turntrans-98.2-19.9-177.5-145.280.6000113.8L177L174-L177 WeakPolarHBondContact O-CD1 3.37Å
175D55.8Low67Low126 Ų12688.7 Ų88.767%0.67445%0.446SS*.THydrogen-bonded Turntrans-97.1-16.8-177.9-75.8-22000112.7
176H57.6Low66.8Low84 Ų8484.7 Ų84.739%0.38943%0.425SS..  trans-118.640.4178.6-52.893.5000112.6G172 E178 D179G172-H176 PolarHBondContact O-N 2.78Å; G172-H176 PolarHBondContact O-ND1 3.26Å; G172-H176 VanDerWaalsContact O-ND1 3.12Å; H176-E178 PolarHBondContact O-N 2.87Å; H176-D179 HydrophobicContact CB-CB 4.04Å; H176-D179 IonicContact CD2-OD2 3.05Å; H176-D179 PolarHBondContact CD2-OD2 3.06Å; H176-D179 IonicContact CG-OD2 3.61Å; H176-D179 PolarHBondContact O-N 3.25Å; H176-D179 VanDerWaalsContact O-N 3.1Å
177L56.2Low66.6Low101 Ų10186.3 Ų86.353%0.52943%0.434SS..THydrogen-bonded Turntrans-56.3-15.8178.2-103.8133.9000114.1L174L174-L177 WeakPolarHBondContact O-CD1 3.37Å
178E56.5Low66.7Low190 Ų19089.6 Ų89.689%0.88845%0.45SS*.THydrogen-bonded Turntrans-111-0.9-178.6-62.9-175151.100114.2H176H176-E178 PolarHBondContact O-N 2.87Å
179D61Low66.7Low89 Ų8984.1 Ų84.148%0.47643%0.431SS..  trans-91.6109.4178.5-74.4-27.1000111.5H176 A181 W182H176-D179 HydrophobicContact CB-CB 4.04Å; H176-D179 IonicContact CD2-OD2 3.05Å; H176-D179 PolarHBondContact CD2-OD2 3.06Å; H176-D179 IonicContact CG-OD2 3.61Å; H176-D179 PolarHBondContact O-N 3.25Å; H176-D179 VanDerWaalsContact O-N 3.1Å; D179-A181 PolarHBondContact O-N 3.13Å; D179-W182 PolarHBondContact O-N 2.79Å
180E59.4Low66.9Low201 Ų20184.7 Ų84.794%0.93943%0.428SS*.THydrogen-bonded Turntrans-61.3-14.4175.3-69.9-150.415900114.2
181A61.9Low67.5Low103 Ų10381 Ų8185%0.85142%0.42SS*.THydrogen-bonded Turntrans-80.6-16.8179.700000113.7D179D179-A181 PolarHBondContact O-N 3.13Å
182W68.6Low69.2Low114 Ų11475.4 Ų75.443%0.43240%0.402SS..  trans-110.3113.1-176.1-175.4-92000111.4D173 D179 P184D173-W182 PolarHBondContact OD1-NE1 2.8Å; D179-W182 PolarHBondContact O-N 2.79Å; W182-P184 WeakPolarHBondContact O-CD 3.31Å
183T70.1Confident70.9Confident75 Ų7581 Ų8146%0.4643%0.428SS..  trans-91.6115.9175.849.80000110.2Q216T183-Q216 WeakPolarHBondContact OG1-CG 3.49Å
184P78Confident72.5Confident29 Ų2980.8 Ų80.819%0.18843%0.427CS..  trans-71.1165.4-178.830.6-36000112.2D173 W182 V186 N187 T214D173-P184 HydrophobicContact CB-CB 3.96Å; D173-P184 WeakPolarHBondContact OD1-CA 3.32Å; D173-P184 WeakPolarHBondContact OD2-CA 3.26Å; D173-P184 VanDerWaalsContact OD2-CB 3.3Å; D173-P184 WeakPolarHBondContact OD2-CB 3.22Å; W182-P184 WeakPolarHBondContact O-CD 3.31Å; P184-V186 PolarHBondContact O-N 3.35Å; P184-N187 WeakPolarHBondContact CG-OD1 3.26Å; P184-T214 VanDerWaalsContact O-CG2 3.3Å; P184-T214 WeakPolarHBondContact O-CG2 3.41Å; P184-T214 PolarHBondContact O-OG1 2.68Å
185C80.1Confident74.2Confident4 Ų478.1 Ų78.13%0.02741%0.414CS..SBendtrans-60.4-36.5175.2-69.60000111.7R170 D173 I213 T214 C217R170-C185 PolarHBondContact NH1-SG 2.88Å; D173-C185 PolarHBondContact OD2-N 2.85Å; C185-I213 WeakPolarHBondContact O-CA 3.48Å; C185-T214 PolarHBondContact O-N 2.81Å; C185-T214 PolarHBondContact O-OG1 2.91Å; C185-C217 HydrophobicContact CB-CB 3.58Å; C185-C217 WeakPolarHBondContact CB-SG 3.4Å; C185-C217 WeakPolarHBondContact SG-CB 3.46Å; C185-C217 CovalentContact SG-SG 2.06Å; C185-C217 PolarHBondContact SG-SG 2.97Å
186V83.3Confident75.9Confident11 Ų1174.6 Ų74.67%0.06739%0.393CS..BIsolated β-bridgetrans-136.4124.3175.8-175.40000108.2W163 P184 V189 F198 R211 V212W163-V186 HydrophobicContact CE3-CG2 3.8Å; W163-V186 HydrophobicContact CH2-CG2 4.31Å; W163-V186 HydrophobicContact CZ3-CG2 3.53Å; P184-V186 PolarHBondContact O-N 3.35Å; V186-V189 HydrophobicContact CB-CG2 3.76Å; V186-V189 HydrophobicContact CG1-CG2 3.55Å; V186-F198 HydrophobicContact CB-CE1 4.43Å; V186-F198 HydrophobicContact CG1-CD1 4.02Å; V186-F198 HydrophobicContact CG1-CD2 3.85Å; V186-F198 HydrophobicContact CG1-CE1 3.92Å; V186-F198 HydrophobicContact CG1-CE2 3.74Å; V186-F198 HydrophobicContact CG1-CG 3.98Å; V186-F198 HydrophobicContact CG1-CZ 3.78Å; V186-F198 HydrophobicContact CG2-CD1 4.18Å; V186-F198 HydrophobicContact CG2-CE1 3.62Å; V186-F198 HydrophobicContact CG2-CZ 3.92Å; V186-R211 HydrophobicContact CG1-CB 4.26Å; V186-V212 WeakPolarHBondContact CA-O 3.37Å
187N82.2Confident77.6Confident61 Ų6174 Ų7433%0.32639%0.392SS..THydrogen-bonded Turntrans-67.5144.6179.8-67.3-15.5000111.1P184 V189 V212P184-N187 WeakPolarHBondContact CG-OD1 3.26Å; N187-V189 PolarHBondContact O-N 2.76Å; N187-V212 PolarHBondContact N-O 2.82Å
188N82.1Confident79.3Confident80 Ų8069.7 Ų69.743%0.42837%0.369SS..THydrogen-bonded Turntrans61.937.3174-57.6-43.3000115H210 R211N188-H210 PolarHBondContact ND2-O 3.2Å; N188-R211 HydrophobicContact CB-CG 4.43Å
189V82.1Confident81.1Confident19 Ų1960.7 Ų60.712%0.11533%0.327CS..  trans-103.288.6170.9-177.80000109.7V186 N187 A195V186-V189 HydrophobicContact CB-CG2 3.76Å; V186-V189 HydrophobicContact CG1-CG2 3.55Å; N187-V189 PolarHBondContact O-N 2.76Å; V189-A195 HydrophobicContact CG1-CB 3.84Å
190N79.6Confident82.7Confident104 Ų10458.1 Ų58.156%0.55631%0.312SS*.  trans-91.1-8.5-172.8-54.6-1.3000112.9S194N190-S194 PolarHBondContact N-OG 3.06Å
191G84.3Confident84.3Confident20 Ų2048.9 Ų48.921%0.20627%0.269CS..SBendtrans-178.5-171.5-18000000113.7I193 S194 A195G191-I193 PolarHBondContact O-N 3Å; G191-S194 PolarHBondContact N-OG 3.42Å; G191-S194 PolarHBondContact O-N 2.77Å; G191-S194 PolarHBondContact O-OG 3.44Å; G191-A195 PolarHBondContact O-N 3.1Å; G191-A195 VanDerWaalsContact O-N 3.13Å
192F87.6Confident85.8Confident89 Ų8945.2 Ų45.239%0.3924%0.236SC..Hα-helixtrans-60.7-42.3-177.1178.8-102.4000113L157 A161 Y164 S194 A195 F196L157-F192 HydrophobicContact CD2-CZ 4.23Å; A161-F192 HydrophobicContact CB-CE2 4.34Å; Y164-F192 HydrophobicContact CD1-CD2 4.2Å; Y164-F192 HydrophobicContact CD2-CB 4.08Å; Y164-F192 HydrophobicContact CD2-CD2 4.49Å; Y164-F192 HydrophobicContact CE2-CB 4.19Å; Y164-F192 HydrophobicContact CG-CB 4.38Å; Y164-F192 AromaticContact CG-CD2 3.98Å; Y164-F192 HydrophobicContact CG-CD2 3.98Å; F192-S194 VanDerWaalsContact C-N 3.34Å; F192-S194 PolarHBondContact O-N 3.36Å; F192-A195 PolarHBondContact O-N 3.47Å; F192-F196 WeakPolarHBondContact O-CB 3.41Å; F192-F196 PolarHBondContact O-N 3.15Å
193I90.8Very high87Confident128 Ų12840.8 Ų40.866%0.65622%0.221SC*.Hα-helixtrans-63.8-40-178.9-63.7169.3000111.1G191 F196 L197G191-I193 PolarHBondContact O-N 3Å; I193-F196 PolarHBondContact O-N 3.36Å; I193-L197 HydrophobicContact CG2-CD1 4.24Å; I193-L197 WeakPolarHBondContact O-CG 3.36Å; I193-L197 PolarHBondContact O-N 3.21Å
194S89.6Confident88.1Confident13 Ų1339.7 Ų39.79%0.09121%0.214CC..Hα-helixtrans-68.3-34.3175.744.30000113N190 G191 F192 F198N190-S194 PolarHBondContact N-OG 3.06Å; G191-S194 PolarHBondContact N-OG 3.42Å; G191-S194 PolarHBondContact O-N 2.77Å; G191-S194 PolarHBondContact O-OG 3.44Å; F192-S194 VanDerWaalsContact C-N 3.34Å; F192-S194 PolarHBondContact O-N 3.36Å; S194-F198 WeakPolarHBondContact O-CB 3.27Å; S194-F198 PolarHBondContact O-N 3.04Å
195A90.6Very high88.8Confident0 Ų044.3 Ų44.30%024%0.241CC..Hα-helixtrans-69.3-38.7174.100000111.5W163 V189 G191 F192 F198 S199W163-A195 HydrophobicContact CB-CB 4.25Å; V189-A195 HydrophobicContact CG1-CB 3.84Å; G191-A195 PolarHBondContact O-N 3.1Å; G191-A195 VanDerWaalsContact O-N 3.13Å; F192-A195 PolarHBondContact O-N 3.47Å; A195-F198 PolarHBondContact O-N 3.01Å; A195-S199 PolarHBondContact O-N 3.35Å
196F92.9Very high89.6Confident52 Ų5248.2 Ų48.223%0.22826%0.261CS..Hα-helixtrans-63.4-45.6173.5176.4-109000112.1W156 L157 F192 I193 F198 S199 I200W156-F196 HydrophobicContact CB-CD2 4.38Å; W156-F196 HydrophobicContact CB-CE2 3.64Å; W156-F196 HydrophobicContact CB-CZ 4.32Å; L157-F196 HydrophobicContact CD2-CD2 3.84Å; L157-F196 HydrophobicContact CD2-CE2 3.64Å; L157-F196 HydrophobicContact CD2-CZ 4.4Å; L157-F196 HydrophobicContact CG-CD2 4.44Å; L157-F196 HydrophobicContact CG-CE2 3.9Å; F192-F196 WeakPolarHBondContact O-CB 3.41Å; F192-F196 PolarHBondContact O-N 3.15Å; I193-F196 PolarHBondContact O-N 3.36Å; F196-F198 VanDerWaalsContact C-N 3.34Å; F196-F198 PolarHBondContact O-N 2.81Å; F196-S199 WeakPolarHBondContact O-CB 3.33Å; F196-S199 PolarHBondContact O-N 3.41Å; F196-S199 VanDerWaalsContact O-N 3.16Å; F196-I200 HydrophobicContact CD1-CD1 3.99Å; F196-I200 HydrophobicContact CE1-CD1 3.42Å; F196-I200 VanDerWaalsContact CE1-CD1 3.42Å; F196-I200 HydrophobicContact CE1-CG1 4.45Å; F196-I200 HydrophobicContact CE2-CD1 4.19Å; F196-I200 HydrophobicContact CE2-CG1 4.48Å; F196-I200 HydrophobicContact CZ-CD1 3.55Å; F196-I200 HydrophobicContact CZ-CG1 4.29Å; F196-I200 PolarHBondContact O-N 2.92Å
197L92.7Very high89.8Confident71 Ų7150 Ų5037%0.37228%0.283SS..Hα-helixtrans-59.8-44.5174.2-73.8169.3000111.5I193 S199 I200 E201I193-L197 HydrophobicContact CG2-CD1 4.24Å; I193-L197 WeakPolarHBondContact O-CG 3.36Å; I193-L197 PolarHBondContact O-N 3.21Å; L197-S199 VanDerWaalsContact C-N 3.29Å; L197-S199 PolarHBondContact O-N 3.37Å; L197-I200 PolarHBondContact O-N 3.4Å; L197-E201 WeakPolarHBondContact O-CB 3.48Å; L197-E201 VanDerWaalsContact O-CG 3.26Å; L197-E201 WeakPolarHBondContact O-CG 2.94Å; L197-E201 PolarHBondContact O-N 3.13Å
198F91.8Very high90.1Very high11 Ų1155 Ų555%0.04830%0.298CS..Hα-helixtrans-59.9-39.7174.9-178.2-113.6000112.5W163 V186 S194 A195 F196 I200 E201 T202 R211W163-F198 AromaticContact CD2-CD1 3.94Å; W163-F198 HydrophobicContact CD2-CD1 3.94Å; W163-F198 AromaticContact CD2-CE1 3.82Å; W163-F198 HydrophobicContact CD2-CE1 3.82Å; W163-F198 AromaticContact CE2-CE1 3.64Å; W163-F198 HydrophobicContact CE3-CD1 4.38Å; W163-F198 HydrophobicContact CE3-CE1 4.03Å; W163-F198 HydrophobicContact CG-CD1 4.13Å; W163-F198 HydrophobicContact CG-CE1 4.46Å; W163-F198 AromaticContact CH2-CE1 3.95Å; W163-F198 HydrophobicContact CH2-CE1 3.95Å; W163-F198 AromaticContact CZ2-CE1 3.73Å; W163-F198 HydrophobicContact CZ2-CE1 3.73Å; W163-F198 HydrophobicContact CZ3-CE1 4.1Å; V186-F198 HydrophobicContact CB-CE1 4.43Å; V186-F198 HydrophobicContact CG1-CD1 4.02Å; V186-F198 HydrophobicContact CG1-CD2 3.85Å; V186-F198 HydrophobicContact CG1-CE1 3.92Å; V186-F198 HydrophobicContact CG1-CE2 3.74Å; V186-F198 HydrophobicContact CG1-CG 3.98Å; V186-F198 HydrophobicContact CG1-CZ 3.78Å; V186-F198 HydrophobicContact CG2-CD1 4.18Å; V186-F198 HydrophobicContact CG2-CE1 3.62Å; V186-F198 HydrophobicContact CG2-CZ 3.92Å; S194-F198 WeakPolarHBondContact O-CB 3.27Å; S194-F198 PolarHBondContact O-N 3.04Å; A195-F198 PolarHBondContact O-N 3.01Å; F196-F198 VanDerWaalsContact C-N 3.34Å; F196-F198 PolarHBondContact O-N 2.81Å; F198-I200 PolarHBondContact O-N 3.38Å; F198-E201 PolarHBondContact O-N 3.37Å; F198-T202 VanDerWaalsContact O-CB 3.28Å; F198-T202 WeakPolarHBondContact O-CB 3.43Å; F198-T202 PolarHBondContact O-N 3.16Å; F198-T202 PolarHBondContact O-OG1 2.83Å; F198-R211 HydrophobicContact CD2-CB 3.57Å; F198-R211 HydrophobicContact CE2-CB 4.22Å; F198-R211 HydrophobicContact CG-CB 4.39Å
199S94.7Very high90.3Very high0 Ų053.7 Ų53.70%030%0.303CS..Hα-helixtrans-62.5-41.6175.7-171.10000112.2W156 F159 G160 A195 F196 L197 E203 Q227W156-S199 PolarHBondContact O-OG 3.21Å; F159-S199 WeakPolarHBondContact CB-OG 3.3Å; G160-S199 PolarHBondContact N-OG 3.43Å; A195-S199 PolarHBondContact O-N 3.35Å; F196-S199 WeakPolarHBondContact O-CB 3.33Å; F196-S199 PolarHBondContact O-N 3.41Å; F196-S199 VanDerWaalsContact O-N 3.16Å; L197-S199 VanDerWaalsContact C-N 3.29Å; L197-S199 PolarHBondContact O-N 3.37Å; S199-E203 WeakPolarHBondContact O-CB 3.12Å; S199-E203 PolarHBondContact O-N 3.3Å; S199-Q227 PolarHBondContact O-NE2 2.63Å
200I94.5Very high90.5Very high35 Ų3558.2 Ų58.218%0.17932%0.322CS..Hα-helixtrans-64.8-50.8174.5-66.5169.5000110W156 F196 L197 F198 T202 E203 T204W156-I200 HydrophobicContact CB-CG1 4Å; W156-I200 HydrophobicContact CD2-CD1 4.39Å; W156-I200 HydrophobicContact CD2-CG1 3.78Å; W156-I200 HydrophobicContact CE3-CD1 4.1Å; W156-I200 HydrophobicContact CE3-CG1 4.01Å; W156-I200 HydrophobicContact CG-CG1 3.78Å; F196-I200 HydrophobicContact CD1-CD1 3.99Å; F196-I200 HydrophobicContact CE1-CD1 3.42Å; F196-I200 VanDerWaalsContact CE1-CD1 3.42Å; F196-I200 HydrophobicContact CE1-CG1 4.45Å; F196-I200 HydrophobicContact CE2-CD1 4.19Å; F196-I200 HydrophobicContact CE2-CG1 4.48Å; F196-I200 HydrophobicContact CZ-CD1 3.55Å; F196-I200 HydrophobicContact CZ-CG1 4.29Å; F196-I200 PolarHBondContact O-N 2.92Å; L197-I200 PolarHBondContact O-N 3.4Å; F198-I200 PolarHBondContact O-N 3.38Å; I200-T202 PolarHBondContact O-N 2.73Å; I200-T202 VanDerWaalsContact O-N 3.16Å; I200-E203 PolarHBondContact O-N 2.84Å; I200-T204 HydrophobicContact CG2-CG2 4.15Å; I200-T204 WeakPolarHBondContact O-CB 2.9Å; I200-T204 PolarHBondContact O-N 2.8Å; I200-T204 PolarHBondContact O-OG1 3.1Å
201E94Very high90.9Very high7 Ų755.6 Ų55.63%0.03331%0.305CS..Hα-helixtrans-53.5-38-179.6-73.5174-138.900111.8L197 F198 T205 I206 G207 Y208 R211L197-E201 WeakPolarHBondContact O-CB 3.48Å; L197-E201 VanDerWaalsContact O-CG 3.26Å; L197-E201 WeakPolarHBondContact O-CG 2.94Å; L197-E201 PolarHBondContact O-N 3.13Å; F198-E201 PolarHBondContact O-N 3.37Å; E201-T205 CarbonylContact O-C 3.55Å; E201-T205 WeakPolarHBondContact O-CA 3.12Å; E201-T205 PolarHBondContact O-N 3.42Å; E201-I206 PolarHBondContact O-N 3.25Å; E201-G207 PolarHBondContact O-N 3.39Å; E201-G207 VanDerWaalsContact O-N 3.12Å; E201-Y208 VanDerWaalsContact CD-CD2 3.49Å; E201-Y208 HydrophobicContact CG-CD2 3.52Å; E201-Y208 HydrophobicContact CG-CE2 3.91Å; E201-R211 IonicContact OE1-CZ 3.96Å; E201-R211 IonicContact OE1-NH1 3.3Å; E201-R211 PolarHBondContact OE1-NH1 3.01Å
202T92.6Very high91Very high26 Ų2658 Ų5816%0.1632%0.315CS..Hα-helixtrans-78.6-48.9-179.5-59.60000112.6F198 I200 T205 L224F198-T202 VanDerWaalsContact O-CB 3.28Å; F198-T202 WeakPolarHBondContact O-CB 3.43Å; F198-T202 PolarHBondContact O-N 3.16Å; F198-T202 PolarHBondContact O-OG1 2.83Å; I200-T202 PolarHBondContact O-N 2.73Å; I200-T202 VanDerWaalsContact O-N 3.16Å; T202-T205 PolarHBondContact O-N 3.01Å; T202-L224 HydrophobicContact CG2-CD1 3.17Å
203E93.8Very high91Very high22 Ų2256 Ų5610%0.10331%0.308CS..Hα-helixtrans-70.9-39.1-176.3-170.9170.8128.600112.3T155 W156 S199 I200 T205T155-E203 WeakPolarHBondContact CB-OE1 3.37Å; T155-E203 PolarHBondContact OG1-OE1 2.84Å; W156-E203 VanDerWaalsContact CD1-CD 3.45Å; W156-E203 VanDerWaalsContact CD1-OE1 3.29Å; W156-E203 PolarHBondContact NE1-OE1 2.9Å; S199-E203 WeakPolarHBondContact O-CB 3.12Å; S199-E203 PolarHBondContact O-N 3.3Å; I200-E203 PolarHBondContact O-N 2.84Å; E203-T205 VanDerWaalsContact C-N 3.26Å
204T93.2Very high90.7Very high51 Ų5151.1 Ų51.131%0.31328%0.284SS..THydrogen-bonded Turntrans-83.9-3.2176.662.10000112.9W156 I200 I206W156-T204 HydrophobicContact CZ2-CG2 3.84Å; I200-T204 HydrophobicContact CG2-CG2 4.15Å; I200-T204 WeakPolarHBondContact O-CB 2.9Å; I200-T204 PolarHBondContact O-N 2.8Å; I200-T204 PolarHBondContact O-OG1 3.1Å; T204-I206 PolarHBondContact O-N 2.8Å; T204-I206 WeakPolarHBondContact OG1-CD1 3.33Å; T204-I206 VanDerWaalsContact OG1-CG1 3.28Å; T204-I206 WeakPolarHBondContact OG1-CG1 3.27Å
205T93.4Very high90.3Very high126 Ų12656.9 Ų56.977%0.77331%0.314SS*.THydrogen-bonded Turntrans5826.7-18066.80000114.3E201 T202 E203E201-T205 CarbonylContact O-C 3.55Å; E201-T205 WeakPolarHBondContact O-CA 3.12Å; E201-T205 PolarHBondContact O-N 3.42Å; T202-T205 PolarHBondContact O-N 3.01Å; E203-T205 VanDerWaalsContact C-N 3.26Å
206I94.9Very high89.7Confident86 Ų8661.5 Ų61.544%0.44134%0.336SS..  trans-70-47.4174.3-63.3167.2000110.2E201 T204 Y208E201-I206 PolarHBondContact O-N 3.25Å; T204-I206 PolarHBondContact O-N 2.8Å; T204-I206 WeakPolarHBondContact OG1-CD1 3.33Å; T204-I206 VanDerWaalsContact OG1-CG1 3.28Å; T204-I206 WeakPolarHBondContact OG1-CG1 3.27Å; I206-Y208 HydrophobicContact CG2-CD1 3.81Å; I206-Y208 HydrophobicContact CG2-CD2 4.29Å; I206-Y208 HydrophobicContact CG2-CE1 3.44Å; I206-Y208 VanDerWaalsContact CG2-CE1 3.44Å; I206-Y208 HydrophobicContact CG2-CE2 3.94Å; I206-Y208 HydrophobicContact CG2-CG 4.21Å; I206-Y208 VanDerWaalsContact CG2-CZ 3.49Å
207G88.6Confident89.1Confident50 Ų5059.1 Ų59.152%0.51533%0.325SS..  trans49.866.7175.100000115.1E201 G209E201-G207 PolarHBondContact O-N 3.39Å; E201-G207 VanDerWaalsContact O-N 3.12Å; G207-G209 PolarHBondContact O-N 3.34Å
208Y88.5Confident88.8Confident166 Ų16660 Ų6065%0.65134%0.335SS*.  trans-59-16.7-178.4-65-62000114.2E201 I206 H210E201-Y208 VanDerWaalsContact CD-CD2 3.49Å; E201-Y208 HydrophobicContact CG-CD2 3.52Å; E201-Y208 HydrophobicContact CG-CE2 3.91Å; I206-Y208 HydrophobicContact CG2-CD1 3.81Å; I206-Y208 HydrophobicContact CG2-CD2 4.29Å; I206-Y208 HydrophobicContact CG2-CE1 3.44Å; I206-Y208 VanDerWaalsContact CG2-CE1 3.44Å; I206-Y208 HydrophobicContact CG2-CE2 3.94Å; I206-Y208 HydrophobicContact CG2-CG 4.21Å; I206-Y208 VanDerWaalsContact CG2-CZ 3.49Å; Y208-H210 VanDerWaalsContact C-N 3.26Å; Y208-H210 PolarHBondContact O-N 3.05Å
209G86Confident88.6Confident51 Ų5164 Ų6453%0.52636%0.361SS..SBendtrans81.2-2175.400000114.7G207 R211 V212G207-G209 PolarHBondContact O-N 3.34Å; G209-R211 VanDerWaalsContact C-N 3.35Å; G209-V212 WeakPolarHBondContact O-CG2 3.45Å
210H86.7Confident88.2Confident114 Ų11464 Ų6453%0.52836%0.361SS..SBendtrans-74.8-27.9171.3-173.1-80.4000112.3N188 Y208N188-H210 PolarHBondContact ND2-O 3.2Å; Y208-H210 VanDerWaalsContact C-N 3.26Å; Y208-H210 PolarHBondContact O-N 3.05Å
211R87.4Confident88Confident50 Ų5065.6 Ų65.619%0.18937%0.372CS..SBendtrans-117.3113.1176.8-64.5176.7-176.285.99107.9V186 N188 F198 E201 G209V186-R211 HydrophobicContact CG1-CB 4.26Å; N188-R211 HydrophobicContact CB-CG 4.43Å; F198-R211 HydrophobicContact CD2-CB 3.57Å; F198-R211 HydrophobicContact CE2-CB 4.22Å; F198-R211 HydrophobicContact CG-CB 4.39Å; E201-R211 IonicContact OE1-CZ 3.96Å; E201-R211 IonicContact OE1-NH1 3.3Å; E201-R211 PolarHBondContact OE1-NH1 3.01Å; G209-R211 VanDerWaalsContact C-N 3.35Å
212V87.5Confident87.8Confident70 Ų7071.4 Ų71.442%0.42440%0.401SS..  trans-127.3138.4-172.2-173.60000108.9V186 N187 G209V186-V212 WeakPolarHBondContact CA-O 3.37Å; N187-V212 PolarHBondContact N-O 2.82Å; G209-V212 WeakPolarHBondContact O-CG2 3.45Å
213I87.2Confident87.8Confident48 Ų4870.9 Ų70.925%0.24640%0.397CS..BIsolated β-bridgetrans-77.1140.8176.1-166.1169.7000110.7W163 C185 L224W163-I213 HydrophobicContact CH2-CD1 3.89Å; C185-I213 WeakPolarHBondContact O-CA 3.48Å; I213-L224 HydrophobicContact CD1-CB 4.12Å; I213-L224 HydrophobicContact CD1-CD2 3.88Å; I213-L224 HydrophobicContact CG2-CD2 4.11Å
214T83.9Confident87.7Confident24 Ų2472.2 Ų72.215%0.14740%0.404CS..  trans-104.6160.1176.266.80000111.7P184 C185 Q216P184-T214 VanDerWaalsContact O-CG2 3.3Å; P184-T214 WeakPolarHBondContact O-CG2 3.41Å; P184-T214 PolarHBondContact O-OG1 2.68Å; C185-T214 PolarHBondContact O-N 2.81Å; C185-T214 PolarHBondContact O-OG1 2.91Å; T214-Q216 PolarHBondContact O-N 2.79Å
215D80.8Confident87.7Confident134 Ų13474.7 Ų74.772%0.71742%0.415SS*.THydrogen-bonded Turntrans-74.9-10.6179.963.2-23.5000113.9C217D215-C217 PolarHBondContact O-N 2.96Å; D215-C217 VanDerWaalsContact O-N 3.09Å
216Q78.1Confident87.8Confident97 Ų9772.9 Ų72.945%0.45340%0.4SS..THydrogen-bonded Turntrans-71.4-4.2-176.6-57.2-56.4-40.200114R170 T183 T214R170-Q216 PolarHBondContact NH1-O 2.84Å; R170-Q216 PolarHBondContact NH2-O 2.77Å; T183-Q216 WeakPolarHBondContact OG1-CG 3.49Å; T214-Q216 PolarHBondContact O-N 2.79Å
217C80.9Confident87.8Confident2 Ų268.8 Ų68.81%0.01438%0.379CS..  trans-134.782.7-167.3-161.80000111.5R170 C185 D215 V219 G220 T221R170-C217 VanDerWaalsContact NH1-CA 3.32Å; R170-C217 PolarHBondContact NH1-SG 3.09Å; C185-C217 HydrophobicContact CB-CB 3.58Å; C185-C217 WeakPolarHBondContact CB-SG 3.4Å; C185-C217 WeakPolarHBondContact SG-CB 3.46Å; C185-C217 CovalentContact SG-SG 2.06Å; C185-C217 PolarHBondContact SG-SG 2.97Å; D215-C217 PolarHBondContact O-N 2.96Å; D215-C217 VanDerWaalsContact O-N 3.09Å; C217-V219 PolarHBondContact O-N 2.85Å; C217-G220 PolarHBondContact O-N 3.04Å; C217-T221 PolarHBondContact O-N 2.65Å; C217-T221 VanDerWaalsContact O-N 3.13Å; C217-T221 PolarHBondContact O-OG1 3.04Å
218P85.6Confident88.1Confident89 Ų8969.1 Ų69.158%0.57838%0.377SS*.Hα-helixtrans-61.4-29.2179.324.5-33.7000112.1T221 M222P218-T221 PolarHBondContact O-N 3.39Å; P218-M222 WeakPolarHBondContact O-CG 3.3Å; P218-M222 PolarHBondContact O-N 2.84Å
219V87.9Confident88.4Confident96 Ų9665.3 Ų65.358%0.58237%0.367SS*.Hα-helixtrans-63.5-42174.1-177.60000111.3I166 C217 M222 L223I166-V219 HydrophobicContact CD1-CG1 4.13Å; C217-V219 PolarHBondContact O-N 2.85Å; V219-M222 PolarHBondContact O-N 3.48Å; V219-L223 PolarHBondContact O-N 3.41Å
220G87.5Confident88.8Confident0 Ų066.1 Ų66.10%036%0.359CS..Hα-helixtrans-64.3-43.9175.900000111.6W163 C217 M222 L223 L224W163-G220 WeakPolarHBondContact CH2-O 3.43Å; C217-G220 PolarHBondContact O-N 3.04Å; G220-M222 VanDerWaalsContact C-N 3.34Å; G220-M222 PolarHBondContact O-N 3.1Å; G220-L223 PolarHBondContact O-N 2.91Å; G220-L224 WeakPolarHBondContact O-CB 3.46Å; G220-L224 PolarHBondContact O-N 2.99Å
221T88.9Confident89.2Confident68 Ų6861 Ų6142%0.41734%0.338SS..Hα-helixtrans-62.3-40.1177-51.20000112.2C217 P218 L224 L225C217-T221 PolarHBondContact O-N 2.65Å; C217-T221 VanDerWaalsContact O-N 3.13Å; C217-T221 PolarHBondContact O-OG1 3.04Å; P218-T221 PolarHBondContact O-N 3.39Å; T221-L224 PolarHBondContact O-N 3.02Å; T221-L225 PolarHBondContact O-N 2.96Å
222M90.9Very high89.6Confident130 Ų13062 Ų6264%0.6435%0.352SS*.Hα-helixtrans-67.5-38.7175.3-69.9-63.1168.300112.3P218 V219 G220 L225 L226P218-M222 WeakPolarHBondContact O-CG 3.3Å; P218-M222 PolarHBondContact O-N 2.84Å; V219-M222 PolarHBondContact O-N 3.48Å; G220-M222 VanDerWaalsContact C-N 3.34Å; G220-M222 PolarHBondContact O-N 3.1Å; M222-L225 PolarHBondContact O-N 3.5Å; M222-L226 WeakPolarHBondContact O-CB 3.49Å; M222-L226 PolarHBondContact O-N 3.35Å
223L92Very high89.9Confident15 Ų1564.3 Ų64.38%0.07936%0.359CS..Hα-helixtrans-64.9-42.6174.4-177.665.4000111.5F159 I162 W163 I166 V219 G220 L225 L226 Q227F159-L223 HydrophobicContact CD1-CD1 4.05Å; F159-L223 HydrophobicContact CE1-CD1 4.08Å; I162-L223 HydrophobicContact CB-CD2 4.22Å; I162-L223 HydrophobicContact CG2-CD1 3.88Å; I162-L223 HydrophobicContact CG2-CD2 3.49Å; I162-L223 VanDerWaalsContact CG2-CD2 3.49Å; I162-L223 HydrophobicContact CG2-CG 4.36Å; W163-L223 HydrophobicContact CD2-CD2 3.76Å; W163-L223 HydrophobicContact CE3-CD2 4.21Å; W163-L223 HydrophobicContact CG-CD2 4.15Å; W163-L223 HydrophobicContact CH2-CB 4.5Å; W163-L223 HydrophobicContact CH2-CD2 4.34Å; W163-L223 HydrophobicContact CZ2-CB 4.29Å; W163-L223 HydrophobicContact CZ2-CD2 3.89Å; W163-L223 HydrophobicContact CZ2-CG 4.1Å; W163-L223 HydrophobicContact CZ3-CD2 4.48Å; I166-L223 HydrophobicContact CD1-CB 4.42Å; I166-L223 HydrophobicContact CD1-CD2 3.49Å; I166-L223 VanDerWaalsContact CD1-CD2 3.49Å; V219-L223 PolarHBondContact O-N 3.41Å; G220-L223 PolarHBondContact O-N 2.91Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L225 PolarHBondContact O-N 3.47Å; L223-L226 PolarHBondContact O-N 3.02Å; L223-Q227 VanDerWaalsContact O-CB 3.23Å; L223-Q227 WeakPolarHBondContact O-CB 3.48Å; L223-Q227 PolarHBondContact O-N 3.45Å
224L92.4Very high90.2Very high50 Ų5063.8 Ų63.826%0.26236%0.359SS..Hα-helixtrans-57.3-46.3175.4176.464.9000111.2W163 T202 I213 G220 T221 Q227 A228W163-L224 HydrophobicContact CZ2-CB 4.3Å; T202-L224 HydrophobicContact CG2-CD1 3.17Å; I213-L224 HydrophobicContact CD1-CB 4.12Å; I213-L224 HydrophobicContact CD1-CD2 3.88Å; I213-L224 HydrophobicContact CG2-CD2 4.11Å; G220-L224 WeakPolarHBondContact O-CB 3.46Å; G220-L224 PolarHBondContact O-N 2.99Å; T221-L224 PolarHBondContact O-N 3.02Å; L224-Q227 PolarHBondContact O-N 3.35Å; L224-A228 WeakPolarHBondContact O-CB 3.25Å; L224-A228 PolarHBondContact O-N 3.35Å
225L93.7Very high90.7Very high102 Ų10266.3 Ų66.353%0.53437%0.371SS..Hα-helixtrans-61.9-47.1176.2-18065.6000111.6T221 M222 L223 Q227 A228 I229T221-L225 PolarHBondContact O-N 2.96Å; M222-L225 PolarHBondContact O-N 3.5Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L225 PolarHBondContact O-N 3.47Å; L225-Q227 VanDerWaalsContact C-N 3.34Å; L225-Q227 PolarHBondContact O-N 2.83Å; L225-A228 PolarHBondContact O-N 2.97Å; L225-I229 HydrophobicContact CD1-CD1 4.23Å; L225-I229 HydrophobicContact CG-CD1 4.14Å; L225-I229 WeakPolarHBondContact O-CG1 3.13Å; L225-I229 PolarHBondContact O-N 2.87Å; L225-I229 VanDerWaalsContact O-N 3.08Å
226L94.2Very high91.3Very high88 Ų8863.1 Ų63.146%0.46136%0.363SS..Hα-helixtrans-62.5-42.1178.8-179.863.5000111.8M222 L223 I229 L230M222-L226 WeakPolarHBondContact O-CB 3.49Å; M222-L226 PolarHBondContact O-N 3.35Å; L223-L226 PolarHBondContact O-N 3.02Å; L226-I229 PolarHBondContact O-N 3.48Å; L226-L230 HydrophobicContact CD1-CD1 3.8Å; L226-L230 HydrophobicContact CD1-CG 4.1Å; L226-L230 HydrophobicContact CG-CD1 3.9Å; L226-L230 HydrophobicContact CG-CG 4.49Å; L226-L230 WeakPolarHBondContact O-CB 3.4Å; L226-L230 WeakPolarHBondContact O-CG 3.46Å; L226-L230 PolarHBondContact O-N 3.41Å
227Q95.1Very high92.1Very high0 Ų062.2 Ų62.20%036%0.358CS..Hα-helixtrans-64.4-42.2177.3-177.7177.6-21.600111.4F159 S199 L223 L224 L225 I229 G231F159-Q227 HydrophobicContact CB-CG 4.39Å; F159-Q227 HydrophobicContact CD1-CB 3.78Å; F159-Q227 HydrophobicContact CD1-CG 3.79Å; F159-Q227 HydrophobicContact CD2-CG 3.91Å; F159-Q227 HydrophobicContact CE1-CB 3.62Å; F159-Q227 HydrophobicContact CE1-CG 3.96Å; F159-Q227 HydrophobicContact CE2-CB 4.47Å; F159-Q227 HydrophobicContact CE2-CG 4.08Å; F159-Q227 HydrophobicContact CG-CB 4.3Å; F159-Q227 HydrophobicContact CG-CG 3.77Å; F159-Q227 HydrophobicContact CZ-CB 3.99Å; F159-Q227 HydrophobicContact CZ-CG 4.11Å; S199-Q227 PolarHBondContact O-NE2 2.63Å; L223-Q227 VanDerWaalsContact O-CB 3.23Å; L223-Q227 WeakPolarHBondContact O-CB 3.48Å; L223-Q227 PolarHBondContact O-N 3.45Å; L224-Q227 PolarHBondContact O-N 3.35Å; L225-Q227 VanDerWaalsContact C-N 3.34Å; L225-Q227 PolarHBondContact O-N 2.83Å; Q227-I229 PolarHBondContact O-N 3.41Å; Q227-G231 WeakPolarHBondContact O-CA 3.3Å; Q227-G231 PolarHBondContact O-N 2.84Å
228A94.6Very high92.6Very high57 Ų5763.2 Ų63.247%0.47136%0.363SS..Hα-helixtrans-61.6-44.2176.100000111.7L224 L225 S232L224-A228 WeakPolarHBondContact O-CB 3.25Å; L224-A228 PolarHBondContact O-N 3.35Å; L225-A228 PolarHBondContact O-N 2.97Å; A228-S232 WeakPolarHBondContact O-CB 3.48Å; A228-S232 PolarHBondContact O-N 3.33Å; A228-S232 PolarHBondContact O-OG 2.97Å
229I95.8Very high93Very high86 Ų8662.7 Ų62.744%0.44136%0.357SS..Hα-helixtrans-64.9-54.1178.4-65.5167.1000110.5L225 L226 Q227 G231 S232 M233L225-I229 HydrophobicContact CD1-CD1 4.23Å; L225-I229 HydrophobicContact CG-CD1 4.14Å; L225-I229 WeakPolarHBondContact O-CG1 3.13Å; L225-I229 PolarHBondContact O-N 2.87Å; L225-I229 VanDerWaalsContact O-N 3.08Å; L226-I229 PolarHBondContact O-N 3.48Å; Q227-I229 PolarHBondContact O-N 3.41Å; I229-G231 PolarHBondContact O-N 3.38Å; I229-S232 PolarHBondContact O-N 2.77Å; I229-S232 PolarHBondContact O-OG 3.49Å; I229-M233 HydrophobicContact CG2-SD 4.29Å; I229-M233 WeakPolarHBondContact O-CG 3.33Å; I229-M233 PolarHBondContact O-N 2.87Å
230L94.4Very high93.2Very high69 Ų6959.4 Ų59.436%0.36134%0.343SS..Hα-helixtrans-65.7-38.7-177.9-70.8176.5000112.5F159 L226 S232 M233 V234F159-L230 HydrophobicContact CE2-CB 4.5Å; F159-L230 HydrophobicContact CZ-CB 4.16Å; F159-L230 HydrophobicContact CZ-CD1 3.93Å; L226-L230 HydrophobicContact CD1-CD1 3.8Å; L226-L230 HydrophobicContact CD1-CG 4.1Å; L226-L230 HydrophobicContact CG-CD1 3.9Å; L226-L230 HydrophobicContact CG-CG 4.49Å; L226-L230 WeakPolarHBondContact O-CB 3.4Å; L226-L230 WeakPolarHBondContact O-CG 3.46Å; L226-L230 PolarHBondContact O-N 3.41Å; L230-S232 PolarHBondContact O-N 2.88Å; L230-M233 HydrophobicContact CD2-SD 4.38Å; L230-M233 PolarHBondContact O-N 3.19Å; L230-V234 WeakPolarHBondContact O-CG2 3.38Å; L230-V234 PolarHBondContact O-N 3.02Å
231G94.8Very high93.4Very high7 Ų760 Ų607%0.07235%0.347CS..Hα-helixtrans-59.9-44.6174.500000111.8Q227 I229 M233 V234 N235Q227-G231 WeakPolarHBondContact O-CA 3.3Å; Q227-G231 PolarHBondContact O-N 2.84Å; I229-G231 PolarHBondContact O-N 3.38Å; G231-M233 PolarHBondContact O-N 3.29Å; G231-V234 PolarHBondContact O-N 3.06Å; G231-N235 VanDerWaalsContact O-CB 3.25Å; G231-N235 WeakPolarHBondContact O-CB 3.44Å; G231-N235 PolarHBondContact O-N 2.84Å
232S94.7Very high93.5Very high70 Ų7060.3 Ų60.349%0.4935%0.345SS..Hα-helixtrans-63.4-38.9175.975.40000112.8A228 I229 L230 A236A228-S232 WeakPolarHBondContact O-CB 3.48Å; A228-S232 PolarHBondContact O-N 3.33Å; A228-S232 PolarHBondContact O-OG 2.97Å; I229-S232 PolarHBondContact O-N 2.77Å; I229-S232 PolarHBondContact O-OG 3.49Å; L230-S232 PolarHBondContact O-N 2.88Å; S232-A236 WeakPolarHBondContact O-CB 3.13Å; S232-A236 PolarHBondContact O-N 2.86Å
233M95Very high93.6Very high118 Ų11861 Ų6158%0.58135%0.345SS*.Hα-helixtrans-66.2-46.9177.3-70.8179.273.800112.2I229 L230 G231 N235 A236 F237I229-M233 HydrophobicContact CG2-SD 4.29Å; I229-M233 WeakPolarHBondContact O-CG 3.33Å; I229-M233 PolarHBondContact O-N 2.87Å; L230-M233 HydrophobicContact CD2-SD 4.38Å; L230-M233 PolarHBondContact O-N 3.19Å; G231-M233 PolarHBondContact O-N 3.29Å; M233-N235 VanDerWaalsContact C-N 3.34Å; M233-A236 PolarHBondContact O-N 2.81Å; M233-F237 WeakPolarHBondContact O-CB 3.43Å; M233-F237 PolarHBondContact O-N 3.47Å
234V93.7Very high93.5Very high38 Ų3862.6 Ų62.623%0.2336%0.355CS..Hα-helixtrans-63.3-43.3177.6172.30000110.3T155 L230 G231 F237 M238T155-V234 HydrophobicContact CG2-CG1 4.3Å; T155-V234 HydrophobicContact CG2-CG2 4.23Å; L230-V234 WeakPolarHBondContact O-CG2 3.38Å; L230-V234 PolarHBondContact O-N 3.02Å; G231-V234 PolarHBondContact O-N 3.06Å; V234-F237 PolarHBondContact O-N 3.34Å; V234-M238 HydrophobicContact CG1-CG 4.27Å; V234-M238 WeakPolarHBondContact O-CB 3.27Å; V234-M238 WeakPolarHBondContact O-CG 3.43Å; V234-M238 PolarHBondContact O-N 3.48Å
235N93.7Very high93.4Very high77 Ų7761 Ų6141%0.41235%0.346SS..Hα-helixtrans-61.4-47.2177.3-172.956.8000112Y152 G231 M233 F237 M238 V239Y152-N235 PolarHBondContact OH-OD1 3.24Å; G231-N235 VanDerWaalsContact O-CB 3.25Å; G231-N235 WeakPolarHBondContact O-CB 3.44Å; G231-N235 PolarHBondContact O-N 2.84Å; M233-N235 VanDerWaalsContact C-N 3.34Å; N235-F237 VanDerWaalsContact C-N 3.33Å; N235-F237 PolarHBondContact O-N 2.68Å; N235-M238 PolarHBondContact O-N 2.75Å; N235-V239 WeakPolarHBondContact O-CB 3.15Å; N235-V239 VanDerWaalsContact O-CG2 3.31Å; N235-V239 WeakPolarHBondContact O-CG2 3.24Å; N235-V239 PolarHBondContact O-N 3.11Å
236A94.6Very high93.2Very high66 Ų6661.1 Ų61.155%0.54535%0.346SS..Hα-helixtrans-60.2-42.6177.300000112S232 M233 G240S232-A236 WeakPolarHBondContact O-CB 3.13Å; S232-A236 PolarHBondContact O-N 2.86Å; M233-A236 PolarHBondContact O-N 2.81Å; A236-G240 PolarHBondContact O-N 3.48Å
237F93.1Very high92.8Very high79 Ų7958.3 Ų58.335%0.34633%0.333SS..Hα-helixtrans-63.5-48.3176.9179-100000112.2F133 L136 M233 V234 N235 G240 C241F133-F237 AromaticContact CD2-CE2 3.95Å; F133-F237 HydrophobicContact CD2-CE2 3.95Å; F133-F237 HydrophobicContact CD2-CZ 4.44Å; L136-F237 HydrophobicContact CD1-CE1 3.67Å; L136-F237 HydrophobicContact CD1-CZ 3.74Å; M233-F237 WeakPolarHBondContact O-CB 3.43Å; M233-F237 PolarHBondContact O-N 3.47Å; V234-F237 PolarHBondContact O-N 3.34Å; N235-F237 VanDerWaalsContact C-N 3.33Å; N235-F237 PolarHBondContact O-N 2.68Å; F237-G240 PolarHBondContact O-N 2.94Å; F237-C241 WeakPolarHBondContact O-CB 3.44Å; F237-C241 PolarHBondContact O-N 3.19Å; F237-C241 PolarHBondContact O-SG 3.04Å
238M92.6Very high92.3Very high23 Ų2360.6 Ų60.611%0.11334%0.344CS..Hα-helixtrans-66.8-44.3-177.7-71.7-65.3164.900112.4F148 A151 Y152 V234 N235 C241 M242F148-M238 HydrophobicContact CD2-CB 3.98Å; F148-M238 HydrophobicContact CD2-CG 4.46Å; F148-M238 HydrophobicContact CD2-SD 4.32Å; F148-M238 HydrophobicContact CE2-CB 3.88Å; A151-M238 HydrophobicContact CB-CE 3.25Å; A151-M238 HydrophobicContact CB-SD 4.2Å; Y152-M238 HydrophobicContact CE2-CB 4.14Å; Y152-M238 HydrophobicContact CE2-CG 4.22Å; V234-M238 HydrophobicContact CG1-CG 4.27Å; V234-M238 WeakPolarHBondContact O-CB 3.27Å; V234-M238 WeakPolarHBondContact O-CG 3.43Å; V234-M238 PolarHBondContact O-N 3.48Å; N235-M238 PolarHBondContact O-N 2.75Å; M238-C241 PolarHBondContact O-N 3.37Å; M238-M242 WeakPolarHBondContact O-CB 3.47Å; M238-M242 PolarHBondContact O-N 3.27Å
239V93.4Very high91.6Very high77 Ų7758.6 Ų58.647%0.46733%0.326SS..Hα-helixtrans-64.3-41.3175.2173.70000110.8N235 M242 F243N235-V239 WeakPolarHBondContact O-CB 3.15Å; N235-V239 VanDerWaalsContact O-CG2 3.31Å; N235-V239 WeakPolarHBondContact O-CG2 3.24Å; N235-V239 PolarHBondContact O-N 3.11Å; V239-M242 PolarHBondContact O-N 3.18Å; V239-F243 WeakPolarHBondContact O-CB 3.37Å; V239-F243 PolarHBondContact O-N 3.09Å
240G93.1Very high90.7Very high28 Ų2859.6 Ų59.629%0.28933%0.333SS..Hα-helixtrans-59.9-47.8175.300000112.7A236 F237 M242 F243 V244A236-G240 PolarHBondContact O-N 3.48Å; F237-G240 PolarHBondContact O-N 2.94Å; G240-M242 VanDerWaalsContact C-N 3.34Å; G240-M242 PolarHBondContact O-N 3.47Å; G240-F243 PolarHBondContact O-N 3.14Å; G240-V244 WeakPolarHBondContact O-CG2 3.46Å; G240-V244 PolarHBondContact O-N 2.93Å
241C91.8Very high89.8Confident12 Ų1263.4 Ų63.48%0.08135%0.346CS..Hα-helixtrans-58.4-44.6174.4-740000112F133 F237 M238 V244 K245F133-C241 VanDerWaalsContact CD2-SG 3.53Å; F133-C241 WeakPolarHBondContact CE2-SG 3.37Å; F237-C241 WeakPolarHBondContact O-CB 3.44Å; F237-C241 PolarHBondContact O-N 3.19Å; F237-C241 PolarHBondContact O-SG 3.04Å; M238-C241 PolarHBondContact O-N 3.37Å; C241-V244 PolarHBondContact O-N 2.82Å; C241-K245 WeakPolarHBondContact O-CB 3.44Å; C241-K245 PolarHBondContact O-N 2.91Å
242M91.1Very high89.1Confident75 Ų7565.2 Ų65.237%0.36935%0.351SS..Hα-helixtrans-66.3-40.9179.4-173.1166.9173.500111.9F148 M238 V239 G240 K245 I246F148-M242 HydrophobicContact CE2-SD 4.47Å; M238-M242 WeakPolarHBondContact O-CB 3.47Å; M238-M242 PolarHBondContact O-N 3.27Å; V239-M242 PolarHBondContact O-N 3.18Å; G240-M242 VanDerWaalsContact C-N 3.34Å; G240-M242 PolarHBondContact O-N 3.47Å; M242-K245 PolarHBondContact O-N 3.13Å; M242-I246 HydrophobicContact CE-CD1 4.1Å; M242-I246 HydrophobicContact CG-CD1 3.88Å; M242-I246 WeakPolarHBondContact O-CB 3.32Å; M242-I246 WeakPolarHBondContact O-CD1 3.44Å; M242-I246 VanDerWaalsContact O-CG1 3.23Å; M242-I246 WeakPolarHBondContact O-CG1 3.36Å; M242-I246 PolarHBondContact O-N 3.01Å
243F91.4Very high88.5Confident144 Ų14463 Ų6363%0.63234%0.337SS*.Hα-helixtrans-60.3-48.8175.3174.5-100.6000111.7V239 G240 K245 I246 S247V239-F243 WeakPolarHBondContact O-CB 3.37Å; V239-F243 PolarHBondContact O-N 3.09Å; G240-F243 PolarHBondContact O-N 3.14Å; F243-K245 VanDerWaalsContact C-N 3.34Å; F243-K245 PolarHBondContact O-N 3.15Å; F243-I246 PolarHBondContact O-N 3.11Å; F243-S247 WeakPolarHBondContact O-CB 3.38Å; F243-S247 PolarHBondContact O-N 2.94Å; F243-S247 PolarHBondContact O-OG 2.86Å
244V90.4Very high87.9Confident48 Ų4864.7 Ų64.729%0.29134%0.344SS..Hα-helixtrans-62-42.7177.31740000111.1F133 V137 G240 C241 I246 S247 Q248F133-V244 HydrophobicContact CZ-CB 4.42Å; F133-V244 HydrophobicContact CZ-CG2 4.09Å; V137-V244 HydrophobicContact CG1-CG1 3.97Å; V137-V244 HydrophobicContact CG2-CB 4.48Å; V137-V244 HydrophobicContact CG2-CG1 4.22Å; G240-V244 WeakPolarHBondContact O-CG2 3.46Å; G240-V244 PolarHBondContact O-N 2.93Å; C241-V244 PolarHBondContact O-N 2.82Å; V244-I246 VanDerWaalsContact C-N 3.32Å; V244-I246 PolarHBondContact O-N 2.74Å; V244-S247 WeakPolarHBondContact CA-OG 3.4Å; V244-S247 PolarHBondContact O-N 3.14Å; V244-S247 PolarHBondContact O-OG 3.07Å; V244-Q248 WeakPolarHBondContact O-CG 3.5Å; V244-Q248 PolarHBondContact O-N 2.68Å
245K90.3Very high87.6Confident16 Ų1664.4 Ų64.47%0.0734%0.342CS..Hα-helixtrans-62.6-37.4177.6-172.7173.6-171.560.80113.2V137 L139 W141 S144 C241 M242 F243V137-K245 HydrophobicContact CG1-CB 4.22Å; V137-K245 PolarHBondContact O-NZ 3.25Å; L139-K245 WeakPolarHBondContact O-CE 3.02Å; L139-K245 PolarHBondContact O-NZ 3.5Å; W141-K245 HydrophobicContact CD2-CD 4.46Å; W141-K245 HydrophobicContact CE3-CD 4.4Å; W141-K245 HydrophobicContact CH2-CD 4.3Å; W141-K245 HydrophobicContact CH2-CG 4.16Å; W141-K245 HydrophobicContact CZ2-CD 4.36Å; W141-K245 HydrophobicContact CZ2-CG 4Å; W141-K245 HydrophobicContact CZ3-CD 4.32Å; S144-K245 WeakPolarHBondContact OG-CD 3.45Å; C241-K245 WeakPolarHBondContact O-CB 3.44Å; C241-K245 PolarHBondContact O-N 2.91Å; M242-K245 PolarHBondContact O-N 3.13Å; F243-K245 VanDerWaalsContact C-N 3.34Å; F243-K245 PolarHBondContact O-N 3.15Å
246I89.6Confident87.6Confident105 Ų10561.1 Ų61.154%0.53832%0.324SS..Hα-helixtrans-71.5-39.2176.6-70.1165.8000110.7W141 M242 F243 V244 Q248W141-I246 HydrophobicContact CH2-CG1 3.7Å; W141-I246 HydrophobicContact CZ2-CG1 4.46Å; M242-I246 HydrophobicContact CE-CD1 4.1Å; M242-I246 HydrophobicContact CG-CD1 3.88Å; M242-I246 WeakPolarHBondContact O-CB 3.32Å; M242-I246 WeakPolarHBondContact O-CD1 3.44Å; M242-I246 VanDerWaalsContact O-CG1 3.23Å; M242-I246 WeakPolarHBondContact O-CG1 3.36Å; M242-I246 PolarHBondContact O-N 3.01Å; F243-I246 PolarHBondContact O-N 3.11Å; V244-I246 VanDerWaalsContact C-N 3.32Å; V244-I246 PolarHBondContact O-N 2.74Å; I246-Q248 VanDerWaalsContact C-N 3.32Å; I246-Q248 PolarHBondContact O-N 3.39Å
247S86.5Confident87.5Confident29 Ų2959.6 Ų59.620%0.20331%0.308CS..Hα-helixtrans-72.2-27.3-177.468.90000112.3F243 V244 M370F243-S247 WeakPolarHBondContact O-CB 3.38Å; F243-S247 PolarHBondContact O-N 2.94Å; F243-S247 PolarHBondContact O-OG 2.86Å; V244-S247 WeakPolarHBondContact CA-OG 3.4Å; V244-S247 PolarHBondContact O-N 3.14Å; V244-S247 PolarHBondContact O-OG 3.07Å; S247-M370 WeakPolarHBondContact O-CE 3.35Å; S247-M370 WeakPolarHBondContact OG-CE 3.27Å
248Q84.3Confident87.7Confident49 Ų4956.9 Ų56.923%0.22930%0.296CS..  trans-46.4129.5-177.3-85.8-169.4-11.700112.9V137 V244 I246 N250V137-Q248 HydrophobicContact CG1-CG 4.33Å; V244-Q248 WeakPolarHBondContact O-CG 3.5Å; V244-Q248 PolarHBondContact O-N 2.68Å; I246-Q248 VanDerWaalsContact C-N 3.32Å; I246-Q248 PolarHBondContact O-N 3.39Å; Q248-N250 PolarHBondContact O-N 2.92Å; Q248-N250 PolarHBondContact OE1-ND2 2.66Å; Q248-N250 VanDerWaalsContact OE1-ND2 3.14Å
249P79.6Confident87.8Confident14 Ų1455.8 Ų55.89%0.09129%0.291CS..THydrogen-bonded Turntrans-80.518.1-173.234.3-36000113.7K251 R252 A253 V365 M370 T371 C372P249-K251 PolarHBondContact O-N 3.46Å; P249-R252 HydrophobicContact CB-CB 4.29Å; P249-R252 HydrophobicContact CB-CG 4.27Å; P249-R252 WeakPolarHBondContact O-CA 3.27Å; P249-R252 VanDerWaalsContact O-CB 3.23Å; P249-R252 WeakPolarHBondContact O-CB 3.48Å; P249-R252 PolarHBondContact O-N 2.69Å; P249-A253 PolarHBondContact O-N 3.49Å; P249-V365 HydrophobicContact CB-CG2 3.79Å; P249-M370 HydrophobicContact CG-CB 4.16Å; P249-T371 VanDerWaalsContact CG-O 3.32Å; P249-T371 WeakPolarHBondContact CG-O 3.42Å; P249-C372 HydrophobicContact CB-CB 3.96Å; P249-C372 HydrophobicContact CG-CB 4.06Å
250N77.6Confident87.9Confident107 Ų10758 Ų5857%0.57229%0.294SS*.Hα-helixtrans-58.8-35.1-177.4-72.6-25.2000112.7Q248 R252 A253Q248-N250 PolarHBondContact O-N 2.92Å; Q248-N250 PolarHBondContact OE1-ND2 2.66Å; Q248-N250 VanDerWaalsContact OE1-ND2 3.14Å; N250-R252 VanDerWaalsContact C-N 3.27Å; N250-R252 PolarHBondContact O-N 2.64Å; N250-A253 PolarHBondContact O-N 3.28Å
251K75.4Confident88Confident150 Ų15060 Ų6065%0.65230%0.296SS*.Hα-helixtrans-70.9-20.2174.1-62.9-172-177.1-179.10113.6P249P249-K251 PolarHBondContact O-N 3.46Å
252R79.9Confident88.2Confident44 Ų4459.4 Ų59.417%0.16629%0.292CS..Hα-helixtrans-75.7-34.3176.6-65.7-81.8-167.4159.82.4111.1P249 N250 E254 T255 S283 V365P249-R252 HydrophobicContact CB-CB 4.29Å; P249-R252 HydrophobicContact CB-CG 4.27Å; P249-R252 WeakPolarHBondContact O-CA 3.27Å; P249-R252 VanDerWaalsContact O-CB 3.23Å; P249-R252 WeakPolarHBondContact O-CB 3.48Å; P249-R252 PolarHBondContact O-N 2.69Å; N250-R252 VanDerWaalsContact C-N 3.27Å; N250-R252 PolarHBondContact O-N 2.64Å; R252-E254 PolarHBondContact O-N 3.46Å; R252-T255 PolarHBondContact O-N 3.01Å; R252-T255 VanDerWaalsContact O-N 3.13Å; R252-T255 PolarHBondContact O-OG1 3.02Å; R252-S283 PolarHBondContact NH1-OG 2.97Å; R252-V365 HydrophobicContact CB-CG2 3.96Å; R252-V365 HydrophobicContact CG-CG1 4.09Å; R252-V365 HydrophobicContact CG-CG2 3.86Å
253A80.7Confident88.5Confident25 Ų2555.9 Ų55.921%0.20728%0.275CS..Hα-helixtrans-62.2-26.5174.100000112.6P249 N250 T255 L256 A374P249-A253 PolarHBondContact O-N 3.49Å; N250-A253 PolarHBondContact O-N 3.28Å; A253-T255 VanDerWaalsContact C-N 3.33Å; A253-L256 PolarHBondContact O-N 3.35Å; A253-A374 HydrophobicContact CB-CB 4.27Å
254E82.9Confident88.7Confident153 Ų15349.1 Ų49.172%0.71525%0.245SC*.THydrogen-bonded Turntrans-72-23.3176.4-64.2-178.2160.400113.4R252R252-E254 PolarHBondContact O-N 3.46Å
255T88.5Confident88.9Confident31 Ų3146.9 Ų46.919%0.1923%0.231CC..THydrogen-bonded Turntrans-86.3-10.7177.262.50000113R252 A253 L280R252-T255 PolarHBondContact O-N 3.01Å; R252-T255 VanDerWaalsContact O-N 3.13Å; R252-T255 PolarHBondContact O-OG1 3.02Å; A253-T255 VanDerWaalsContact C-N 3.33Å; T255-L280 WeakPolarHBondContact O-CG 3.45Å; T255-L280 PolarHBondContact O-N 3.35Å
256L92.5Very high89.1Confident9 Ų948 Ų485%0.04724%0.238CC..EExtended strand (participates in β ladder)trans-86.6113.1172.7-67170.9000108.8A253 D279 I285 L326 L361 A374A253-L256 PolarHBondContact O-N 3.35Å; L256-D279 HydrophobicContact CD2-CB 4.02Å; L256-I285 HydrophobicContact CD2-CG1 4.06Å; L256-L326 HydrophobicContact CD2-CD2 4.2Å; L256-L361 HydrophobicContact CD1-CD2 3.92Å; L256-L361 HydrophobicContact CD2-CD2 4.03Å; L256-L361 HydrophobicContact CG-CD2 4.38Å; L256-A374 HydrophobicContact CB-CB 3.84Å; L256-A374 HydrophobicContact CD1-CB 3.83Å; L256-A374 HydrophobicContact CG-CB 4.49Å
257V93.4Very high89.2Confident33 Ų3348.9 Ų48.920%0.224%0.235CC..EExtended strand (participates in β ladder)trans-106.8141-173.8-68.30000111.3V277 G278 L280 F407V257-V277 CarbonylContact O-C 3.53Å; V257-V277 WeakPolarHBondContact O-CA 3.26Å; V257-G278 WeakPolarHBondContact CG2-O 3.33Å; V257-G278 PolarHBondContact N-O 3.33Å; V257-G278 PolarHBondContact O-N 2.84Å; V257-L280 HydrophobicContact CG1-CD1 3.61Å; V257-L280 HydrophobicContact CG1-CG 4.01Å; V257-L280 HydrophobicContact CG2-CD2 4.24Å; V257-L280 HydrophobicContact CG2-CG 4.08Å; V257-F407 HydrophobicContact CB-CE1 4.25Å; V257-F407 HydrophobicContact CB-CZ 4.34Å; V257-F407 HydrophobicContact CG2-CE1 3.91Å; V257-F407 HydrophobicContact CG2-CE2 4.16Å; V257-F407 HydrophobicContact CG2-CZ 3.7Å
258F96Very high89.3Confident22 Ų2254.2 Ų54.210%0.09626%0.261CS..EExtended strand (participates in β ladder)trans-110.5152.3172.6-62.7-85.8000109.9R276 V277 M290 V359 L361 A374 S376 H408F258-R276 CarbonylContact C-O 3.56Å; F258-R276 WeakPolarHBondContact CA-O 3.32Å; F258-V277 HydrophobicContact CD1-CB 4.31Å; F258-V277 HydrophobicContact CD1-CG2 4.13Å; F258-V277 HydrophobicContact CE1-CB 4.44Å; F258-V277 HydrophobicContact CE1-CG2 3.95Å; F258-M290 HydrophobicContact CE1-CE 4.05Å; F258-V359 HydrophobicContact CD1-CG2 3.78Å; F258-V359 HydrophobicContact CE1-CB 4.47Å; F258-V359 HydrophobicContact CE1-CG2 3.78Å; F258-V359 HydrophobicContact CG-CG2 4.35Å; F258-V359 HydrophobicContact CZ-CG2 4.35Å; F258-L361 HydrophobicContact CE1-CB 4.37Å; F258-L361 HydrophobicContact CZ-CB 3.92Å; F258-A374 HydrophobicContact CE2-CB 3.94Å; F258-A374 HydrophobicContact CZ-CB 4.19Å; F258-S376 VanDerWaalsContact CD2-CB 3.48Å; F258-H408 PolarHBondContact O-CE1 2.93Å
259S96.3Very high89.5Confident1 Ų158.1 Ų58.11%0.00728%0.283CS..  trans-55.4147.7170.543.70000111.4H261 R276 Y378S259-H261 VanDerWaalsContact C-N 3.34Å; S259-H261 VanDerWaalsContact CB-O 3.32Å; S259-H261 WeakPolarHBondContact CB-O 3.34Å; S259-H261 PolarHBondContact OG-O 2.88Å; S259-H261 VanDerWaalsContact OG-O 3.11Å; S259-R276 PolarHBondContact N-O 3.28Å; S259-R276 PolarHBondContact OG-N 3.26Å; S259-R276 PolarHBondContact OG-O 2.96Å; S259-Y378 VanDerWaalsContact O-CE1 3.22Å; S259-Y378 WeakPolarHBondContact O-CE1 3.43Å; S259-Y378 PolarHBondContact O-OH 3.24Å; S259-Y378 PolarHBondContact OG-OH 3.48Å
260K94.4Very high90Very high122 Ų12262.5 Ų62.553%0.5330%0.301SS..SBendtrans-67.5-39.1175.2-74.1176.5-176.8177.90111.5K111 H408K111-K260 WeakPolarHBondContact CE-O 3.47Å; K111-K260 PolarHBondContact NZ-O 2.85Å; K260-H408 HydrophobicContact CD-CB 4.31Å; K260-H408 HydrophobicContact CG-CB 4.45Å; K260-H408 PolarHBondContact N-ND1 3.47Å
261H95.9Very high90.8Very high71 Ų7157.6 Ų57.633%0.32928%0.275SS..SBendtrans-116.7147.4-179.1-52105000110.2S259 E382 L384 F389S259-H261 VanDerWaalsContact C-N 3.34Å; S259-H261 VanDerWaalsContact CB-O 3.32Å; S259-H261 WeakPolarHBondContact CB-O 3.34Å; S259-H261 PolarHBondContact OG-O 2.88Å; S259-H261 VanDerWaalsContact OG-O 3.11Å; H261-E382 VanDerWaalsContact CA-O 3.28Å; H261-E382 WeakPolarHBondContact CA-O 3.32Å; H261-E382 WeakPolarHBondContact CB-O 3.37Å; H261-L384 HydrophobicContact CB-CD1 3.81Å; H261-L384 HydrophobicContact CB-CG 4.1Å; H261-F389 WeakPolarHBondContact O-CZ 3.36Å
262A96.6Very high91.7Very high0 Ų050.6 Ų50.60%024%0.244CC..EExtended strand (participates in β ladder)trans-93.2153.6161.500000108M274 F275 Y378 E382 V383 L384A262-M274 CarbonylContact C-O 3.42Å; A262-M274 VanDerWaalsContact CA-O 3.31Å; A262-M274 WeakPolarHBondContact CA-O 3.45Å; A262-F275 HydrophobicContact CB-CB 4.38Å; A262-Y378 HydrophobicContact CB-CD1 3.82Å; A262-Y378 HydrophobicContact CB-CD2 4.36Å; A262-Y378 HydrophobicContact CB-CE1 4.17Å; A262-Y378 HydrophobicContact CB-CG 3.93Å; A262-E382 PolarHBondContact N-O 2.97Å; A262-V383 HydrophobicContact CB-CG2 4.27Å; A262-V383 CarbonylContact O-C 3.53Å; A262-V383 WeakPolarHBondContact O-CA 3.47Å; A262-L384 PolarHBondContact O-N 3.17Å
263V96.3Very high92.5Very high0 Ų048.6 Ų48.60%024%0.237CC..EExtended strand (participates in β ladder)trans-128.7143.5-178.3-56.10000110.7M274 L384 H387 F389 T410V263-M274 HydrophobicContact CG2-CB 3.95Å; V263-M274 HydrophobicContact CG2-CE 4.13Å; V263-M274 PolarHBondContact N-O 3.46Å; V263-M274 PolarHBondContact O-N 2.98Å; V263-L384 CarbonylContact C-O 3.53Å; V263-L384 VanDerWaalsContact CA-O 3.29Å; V263-L384 WeakPolarHBondContact CA-O 3.34Å; V263-L384 HydrophobicContact CG1-CB 4.35Å; V263-H387 HydrophobicContact CB-CB 3.97Å; V263-H387 WeakPolarHBondContact CB-O 3.43Å; V263-H387 HydrophobicContact CG1-CB 3.7Å; V263-H387 WeakPolarHBondContact CG2-O 3.46Å; V263-F389 HydrophobicContact CG1-CE1 4.49Å; V263-F389 HydrophobicContact CG1-CE2 4.44Å; V263-F389 HydrophobicContact CG1-CZ 4.23Å; V263-F389 HydrophobicContact CG2-CD2 3.8Å; V263-F389 HydrophobicContact CG2-CE2 3.56Å; V263-F389 HydrophobicContact CG2-CZ 4.16Å; V263-T410 HydrophobicContact CG1-CG2 3.61Å
264I95.9Very high93.2Very high2 Ų248 Ų481%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-111.2125.2172.9-64.3172.3000107.7L271 C272 L273 I336 L350 V383 L384 W385 G386I264-L271 HydrophobicContact CG2-CD1 3.82Å; I264-L271 HydrophobicContact CG2-CD2 3.93Å; I264-L271 HydrophobicContact CG2-CG 3.7Å; I264-C272 WeakPolarHBondContact CA-O 3.32Å; I264-L273 HydrophobicContact CD1-CD1 4.35Å; I264-L273 HydrophobicContact CG1-CB 4.24Å; I264-L273 HydrophobicContact CG1-CD1 4.28Å; I264-L273 HydrophobicContact CG1-CG 4.29Å; I264-I336 HydrophobicContact CG2-CD1 4.46Å; I264-L350 HydrophobicContact CD1-CD1 4.29Å; I264-L350 HydrophobicContact CD1-CD2 4.38Å; I264-V383 HydrophobicContact CD1-CG1 3.65Å; I264-V383 HydrophobicContact CG1-CG1 3.85Å; I264-L384 PolarHBondContact N-O 3.05Å; I264-W385 HydrophobicContact CB-CE3 4.23Å; I264-W385 HydrophobicContact CD1-CE3 3.86Å; I264-W385 HydrophobicContact CD1-CZ3 4.11Å; I264-W385 HydrophobicContact CG2-CD2 4.25Å; I264-W385 HydrophobicContact CG2-CE3 3.97Å; I264-W385 HydrophobicContact CG2-CH2 4.49Å; I264-W385 HydrophobicContact CG2-CZ3 4.11Å; I264-G386 WeakPolarHBondContact O-CA 3.38Å; I264-G386 PolarHBondContact O-N 3.22Å
265S94.8Very high93.8Very high1 Ų140.8 Ų40.81%0.00720%0.196CC..EExtended strand (participates in β ladder)trans-150.8163.517282.70000112.2C272 M274 H387 R388S265-C272 PolarHBondContact N-O 3.31Å; S265-C272 VanDerWaalsContact N-O 3.09Å; S265-C272 PolarHBondContact O-N 3.34Å; S265-M274 WeakPolarHBondContact OG-CE 3.49Å; S265-H387 WeakPolarHBondContact CB-O 3.23Å; S265-R388 WeakPolarHBondContact OG-CG 3.44Å; S265-R388 PolarHBondContact OG-NE 3.17Å
266L93.4Very high94.2Very high39 Ų3939.9 Ų39.920%0.20419%0.19CC..EExtended strand (participates in β ladder)trans-70.3130172-158.895.5000110K270 R388 T415 P416 L423L266-K270 CarbonylContact C-O 3.52Å; L266-K270 WeakPolarHBondContact CA-O 3.4Å; L266-R388 PolarHBondContact O-NH2 2.9Å; L266-T415 HydrophobicContact CB-CG2 4.48Å; L266-P416 HydrophobicContact CD1-CG 4.35Å; L266-L423 HydrophobicContact CD1-CD1 3.63Å
267R92.3Very high94.3Very high125 Ų12539.5 Ų39.547%0.47219%0.187SC..EExtended strand (participates in β ladder)trans-136.9122.3171-174.2174.6-174.4169.90.6107.8D269 K270R267-D269 VanDerWaalsContact C-N 3.28Å; R267-D269 PolarHBondContact O-N 3.45Å; R267-K270 PolarHBondContact N-O 2.67Å; R267-K270 PolarHBondContact O-N 3.32Å
268D89.8Confident94.3Very high140 Ų14037.9 Ų37.975%0.74918%0.178SC*.THydrogen-bonded Turntrans48.950.4-177.8-51.3-41.7000112.1K270D268-K270 PolarHBondContact O-N 3.45Å
269D87.7Confident94.2Very high131 Ų13137.1 Ų37.170%0.70118%0.175SC*.THydrogen-bonded Turntrans60.36.4-177.5-61.2-40.2000117.1R267R267-D269 VanDerWaalsContact C-N 3.28Å; R267-D269 PolarHBondContact O-N 3.45Å
270K90.6Very high93.9Very high106 Ų10641.6 Ų41.646%0.46120%0.198SC..EExtended strand (participates in β ladder)trans-105.8144.6173.5-62.1176.9-176.9175.80111.1L266 R267 D268 E335L266-K270 CarbonylContact C-O 3.52Å; L266-K270 WeakPolarHBondContact CA-O 3.4Å; R267-K270 PolarHBondContact N-O 2.67Å; R267-K270 PolarHBondContact O-N 3.32Å; D268-K270 PolarHBondContact O-N 3.45Å; K270-E335 WeakPolarHBondContact CD-OE2 3.36Å; K270-E335 IonicContact NZ-OE1 3.29Å; K270-E335 PolarHBondContact NZ-OE1 3.04Å; K270-E335 IonicContact NZ-OE2 3.47Å; K270-E335 PolarHBondContact NZ-OE2 3.11Å
271L93.4Very high93.6Very high5 Ų541.2 Ų41.23%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-80123.7172.6-160.872.3000109I264 I336 W385 A420I264-L271 HydrophobicContact CG2-CD1 3.82Å; I264-L271 HydrophobicContact CG2-CD2 3.93Å; I264-L271 HydrophobicContact CG2-CG 3.7Å; L271-I336 HydrophobicContact CB-CB 4.5Å; L271-I336 HydrophobicContact CB-CD1 4.3Å; L271-I336 HydrophobicContact CD2-CD1 3.8Å; L271-I336 HydrophobicContact CG-CD1 3.98Å; L271-I336 VanDerWaalsContact O-CB 3.26Å; L271-I336 WeakPolarHBondContact O-CB 3.33Å; L271-I336 WeakPolarHBondContact O-CG1 3.26Å; L271-I336 PolarHBondContact O-N 2.98Å; L271-W385 HydrophobicContact CD1-CZ2 4.33Å; L271-W385 HydrophobicContact CD2-CH2 3.52Å; L271-W385 HydrophobicContact CD2-CZ2 3.96Å; L271-W385 HydrophobicContact CD2-CZ3 4.2Å; L271-A420 HydrophobicContact CB-CB 4.23Å; L271-A420 HydrophobicContact CD2-CB 4.13Å
272C94.8Very high93.1Very high2 Ų243.3 Ų43.31%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-125.5134-175.5-63.20000111.4I264 S265 M274 H334I264-C272 WeakPolarHBondContact CA-O 3.32Å; S265-C272 PolarHBondContact N-O 3.31Å; S265-C272 VanDerWaalsContact N-O 3.09Å; S265-C272 PolarHBondContact O-N 3.34Å; C272-M274 HydrophobicContact CB-CG 4.42Å; C272-H334 CarbonylContact C-O 3.58Å; C272-H334 VanDerWaalsContact CA-O 3.26Å; C272-H334 WeakPolarHBondContact CA-O 3.42Å
273L95.6Very high92.8Very high3 Ų344.3 Ų44.32%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-90126.8168.6-177.1146.8000109.1I264 F275 H334 F342 I357 V383I264-L273 HydrophobicContact CD1-CD1 4.35Å; I264-L273 HydrophobicContact CG1-CB 4.24Å; I264-L273 HydrophobicContact CG1-CD1 4.28Å; I264-L273 HydrophobicContact CG1-CG 4.29Å; L273-F275 HydrophobicContact CD2-CD1 4.25Å; L273-H334 HydrophobicContact CB-CB 4.41Å; L273-H334 PolarHBondContact N-O 3.47Å; L273-H334 PolarHBondContact O-N 2.96Å; L273-F342 HydrophobicContact CD1-CE2 4.15Å; L273-F342 HydrophobicContact CD1-CZ 4.19Å; L273-I357 HydrophobicContact CD1-CD1 3.53Å; L273-I357 HydrophobicContact CD2-CD1 4.3Å; L273-V383 HydrophobicContact CD1-CG1 4.48Å
274M96.1Very high92.4Very high12 Ų1248.1 Ų48.16%0.05924%0.24CC..EExtended strand (participates in β ladder)trans-130141.9-172.3-67174.2-7800112.3A262 V263 S265 C272 V331 I332 F389A262-M274 CarbonylContact C-O 3.42Å; A262-M274 VanDerWaalsContact CA-O 3.31Å; A262-M274 WeakPolarHBondContact CA-O 3.45Å; V263-M274 HydrophobicContact CG2-CB 3.95Å; V263-M274 HydrophobicContact CG2-CE 4.13Å; V263-M274 PolarHBondContact N-O 3.46Å; V263-M274 PolarHBondContact O-N 2.98Å; S265-M274 WeakPolarHBondContact OG-CE 3.49Å; C272-M274 HydrophobicContact CB-CG 4.42Å; M274-V331 HydrophobicContact CB-CG1 3.74Å; M274-V331 HydrophobicContact CG-CG1 4.03Å; M274-V331 HydrophobicContact SD-CG1 4.05Å; M274-I332 WeakPolarHBondContact CA-O 3.23Å; M274-F389 HydrophobicContact CB-CE2 4.15Å
275F96.6Very high92.3Very high2 Ų248.7 Ų48.71%0.00924%0.243CC..EExtended strand (participates in β ladder)trans-141.2151.6168.258.9-89.2000109.8A262 L273 M290 I332 V359 Y378A262-F275 HydrophobicContact CB-CB 4.38Å; L273-F275 HydrophobicContact CD2-CD1 4.25Å; F275-M290 HydrophobicContact CE2-CE 4.08Å; F275-M290 HydrophobicContact CE2-CG 4.39Å; F275-M290 HydrophobicContact CE2-SD 3.93Å; F275-M290 HydrophobicContact CZ-CG 4.17Å; F275-M290 HydrophobicContact CZ-SD 4.12Å; F275-I332 HydrophobicContact CD1-CB 4.5Å; F275-I332 HydrophobicContact CD2-CB 4.15Å; F275-I332 HydrophobicContact CD2-CG1 4.28Å; F275-I332 HydrophobicContact CE1-CB 4.09Å; F275-I332 HydrophobicContact CE1-CG2 3.99Å; F275-I332 HydrophobicContact CE2-CB 3.72Å; F275-I332 HydrophobicContact CE2-CG1 3.75Å; F275-I332 HydrophobicContact CE2-CG2 4.13Å; F275-I332 HydrophobicContact CZ-CB 3.69Å; F275-I332 HydrophobicContact CZ-CG1 4.13Å; F275-I332 HydrophobicContact CZ-CG2 3.6Å; F275-I332 PolarHBondContact N-O 3.45Å; F275-I332 PolarHBondContact O-N 3.45Å; F275-V359 HydrophobicContact CD1-CG1 4.13Å; F275-V359 HydrophobicContact CD2-CG1 4.22Å; F275-V359 HydrophobicContact CE1-CG1 3.69Å; F275-V359 HydrophobicContact CE2-CB 4.08Å; F275-V359 HydrophobicContact CE2-CG1 3.78Å; F275-V359 HydrophobicContact CG-CG1 4.38Å; F275-V359 HydrophobicContact CZ-CB 4.12Å; F275-V359 HydrophobicContact CZ-CG1 3.49Å; F275-V359 VanDerWaalsContact CZ-CG1 3.49Å; F275-Y378 HydrophobicContact CB-CE2 3.91Å; F275-Y378 WeakPolarHBondContact CB-OH 3.45Å; F275-Y378 HydrophobicContact CD2-CE2 4.44Å; F275-Y378 HydrophobicContact CG-CE2 4.07Å
276R95.6Very high92.1Very high12 Ų1252 Ų525%0.04526%0.263CS..EExtended strand (participates in β ladder)trans-98.9139.4-178.7-170.5179-78.2169.1-19.8110.4F258 S259 P329 L330 V331 F389 S390 A406 F407F258-R276 CarbonylContact C-O 3.56Å; F258-R276 WeakPolarHBondContact CA-O 3.32Å; S259-R276 PolarHBondContact N-O 3.28Å; S259-R276 PolarHBondContact OG-N 3.26Å; S259-R276 PolarHBondContact OG-O 2.96Å; R276-P329 HydrophobicContact CG-CB 4.27Å; R276-L330 WeakPolarHBondContact CA-O 3.49Å; R276-V331 HydrophobicContact CG-CG2 4.44Å; R276-F389 HydrophobicContact CB-CE1 4.27Å; R276-F389 HydrophobicContact CB-CE2 4.42Å; R276-F389 HydrophobicContact CB-CZ 4.22Å; R276-F389 VanDerWaalsContact NH2-CB 3.32Å; R276-S390 PolarHBondContact NH2-O 2.77Å; R276-A406 PolarHBondContact NH1-O 3.49Å; R276-F407 HydrophobicContact CB-CE2 4.44Å; R276-F407 HydrophobicContact CB-CZ 4.37Å; R276-F407 VanDerWaalsContact CD-CD2 3.49Å; R276-F407 VanDerWaalsContact CD-CE2 3.48Å; R276-F407 HydrophobicContact CG-CD2 4.14Å; R276-F407 HydrophobicContact CG-CE2 3.58Å; R276-F407 HydrophobicContact CG-CZ 3.97Å; R276-F407 PolarHBondContact NH1-O 3.13Å
277V95.3Very high91.9Very high0 Ų053 Ų530%028%0.283CS..EExtended strand (participates in β ladder)trans-123.6145.7170.863.90000109.1V257 F258 M290 L324 L326 P329 L330 I332 L361V257-V277 CarbonylContact O-C 3.53Å; V257-V277 WeakPolarHBondContact O-CA 3.26Å; F258-V277 HydrophobicContact CD1-CB 4.31Å; F258-V277 HydrophobicContact CD1-CG2 4.13Å; F258-V277 HydrophobicContact CE1-CB 4.44Å; F258-V277 HydrophobicContact CE1-CG2 3.95Å; V277-M290 HydrophobicContact CB-CE 4.02Å; V277-M290 HydrophobicContact CG1-CE 3.93Å; V277-M290 HydrophobicContact CG2-CE 4Å; V277-L324 HydrophobicContact CG1-CD1 4.18Å; V277-L326 HydrophobicContact CG1-CD1 4Å; V277-L326 HydrophobicContact CG2-CD2 4.28Å; V277-P329 CarbonylContact O-C 3.57Å; V277-P329 VanDerWaalsContact O-CA 3.23Å; V277-P329 WeakPolarHBondContact O-CA 3.47Å; V277-L330 HydrophobicContact CG1-CB 4.43Å; V277-L330 PolarHBondContact N-O 2.93Å; V277-L330 PolarHBondContact O-N 2.88Å; V277-I332 HydrophobicContact CG1-CD1 3.96Å; V277-I332 HydrophobicContact CG1-CG1 3.88Å; V277-L361 HydrophobicContact CG2-CD2 3.84Å
278G93.3Very high92Very high0 Ų047.1 Ų47.10%026%0.261CS..EExtended strand (participates in β ladder)trans-148.6150.1177.700000111.7V257V257-G278 WeakPolarHBondContact CG2-O 3.33Å; V257-G278 PolarHBondContact N-O 3.33Å; V257-G278 PolarHBondContact O-N 2.84Å
279D93.3Very high92.2Very high5 Ų542.3 Ų42.33%0.02724%0.236CC..EExtended strand (participates in β ladder)trans-97.3133.2163-165.2-8.3000108.4L256 R281 L326 Y404L256-D279 HydrophobicContact CD2-CB 4.02Å; D279-R281 PolarHBondContact OD1-N 3.28Å; D279-L326 HydrophobicContact CB-CD2 4.34Å; D279-L326 HydrophobicContact CB-CG 4.5Å; D279-Y404 PolarHBondContact O-OH 3.46Å
280L89.6Confident92.6Very high95 Ų9536.2 Ų36.250%0.49720%0.203SC..SBendtrans-86.5-13.1174-67.7174.6000112.3T255 V257 Y404T255-L280 WeakPolarHBondContact O-CG 3.45Å; T255-L280 PolarHBondContact O-N 3.35Å; V257-L280 HydrophobicContact CG1-CD1 3.61Å; V257-L280 HydrophobicContact CG1-CG 4.01Å; V257-L280 HydrophobicContact CG2-CD2 4.24Å; V257-L280 HydrophobicContact CG2-CG 4.08Å; L280-Y404 HydrophobicContact CD2-CD1 3.67Å; L280-Y404 HydrophobicContact CD2-CE1 3.61Å; L280-Y404 HydrophobicContact CD2-CG 4.29Å
281R89.4Confident92.8Very high115 Ų11535.1 Ų35.143%0.43420%0.196SC..SBendtrans-100.9155-177.9-166.4172.9-80.5-159.9-0.9110.7D279 S283D279-R281 PolarHBondContact OD1-N 3.28Å; R281-S283 WeakPolarHBondContact CD-OG 3.47Å; R281-S283 WeakPolarHBondContact CG-OG 3.07Å
282S84.8Confident92.8Very high114 Ų11434.9 Ų34.980%0.79720%0.195SC*.SBendtrans-77.8-17.7175.656.50000114.5
283S89.8Confident92.9Very high22 Ų2237.5 Ų37.515%0.15421%0.206CC..SBendtrans-76.7146.7177.361.60000110.7R252 R281R252-S283 PolarHBondContact NH1-OG 2.97Å; R281-S283 WeakPolarHBondContact CD-OG 3.47Å; R281-S283 WeakPolarHBondContact CG-OG 3.07Å
284H89Confident92.8Very high79 Ų7937.8 Ų37.837%0.36621%0.207SC..  trans-86.5151.4-173.8-59.3-62.3000113.3E366H284-E366 IonicContact CD2-OE2 2.9Å; H284-E366 PolarHBondContact N-OE2 3.44Å; H284-E366 WeakPolarHBondContact O-CB 3.39Å; H284-E366 PolarHBondContact O-N 2.95Å
285I92.2Very high92.7Very high14 Ų1437.6 Ų37.67%0.07221%0.207CC..EExtended strand (participates in β ladder)trans-94.3109.8163.4-56.2-58.7000107.9L256 A288 M364L256-I285 HydrophobicContact CD2-CG1 4.06Å; I285-A288 HydrophobicContact CB-CB 4.42Å; I285-A288 HydrophobicContact CG2-CB 3.99Å; I285-M364 CarbonylContact C-O 3.52Å; I285-M364 WeakPolarHBondContact CA-O 3.09Å
286V91.6Very high92.5Very high70 Ų7041.1 Ų41.142%0.42422%0.222SC..EExtended strand (participates in β ladder)trans-80.4130.9-177.2-177.70000109.4M364 E366V286-M364 HydrophobicContact CB-CB 4.32Å; V286-M364 HydrophobicContact CG1-CE 4.17Å; V286-M364 PolarHBondContact N-O 3.49Å; V286-M364 PolarHBondContact O-N 2.8Å; V286-E366 HydrophobicContact CG2-CB 4.32Å
287G90.3Very high92.3Very high61 Ų6142.3 Ų42.363%0.62923%0.232SC*.EExtended strand (participates in β ladder)trans64.340.4179.600000112.8N289G287-N289 PolarHBondContact O-N 3.47Å
288A93.8Very high92Very high1 Ų147.5 Ų47.51%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-62.9125.2177.900000110.6I285 R323 L324 L361 E362I285-A288 HydrophobicContact CB-CB 4.42Å; I285-A288 HydrophobicContact CG2-CB 3.99Å; A288-R323 CarbonylContact O-C 3.52Å; A288-R323 WeakPolarHBondContact O-CA 3.5Å; A288-L324 HydrophobicContact CB-CB 4.06Å; A288-L324 PolarHBondContact O-N 3.43Å; A288-L361 HydrophobicContact CB-CD1 4.25Å; A288-E362 CarbonylContact C-O 3.46Å; A288-E362 VanDerWaalsContact CA-O 3.23Å; A288-E362 WeakPolarHBondContact CA-O 3.44Å
289N94.4Very high92Very high40 Ų4054 Ų5421%0.21429%0.285CS..EExtended strand (participates in β ladder)trans-125130.8176.3-175.6-48.7000109.6G287 R291 D322 E362G287-N289 PolarHBondContact O-N 3.47Å; N289-R291 WeakPolarHBondContact OD1-CG 3.43Å; N289-D322 WeakPolarHBondContact CA-O 3.44Å; N289-D322 PolarHBondContact ND2-OD2 3.01Å; N289-D322 PolarHBondContact OD1-OD2 3.49Å; N289-E362 PolarHBondContact N-O 2.87Å; N289-E362 PolarHBondContact O-N 3.37Å
290M94.6Very high92Very high2 Ų255 Ų551%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-102130.5175.7-17461.870.800111.9F258 F275 V277 V315 D322 L324 I332 L361F258-M290 HydrophobicContact CE1-CE 4.05Å; F275-M290 HydrophobicContact CE2-CE 4.08Å; F275-M290 HydrophobicContact CE2-CG 4.39Å; F275-M290 HydrophobicContact CE2-SD 3.93Å; F275-M290 HydrophobicContact CZ-CG 4.17Å; F275-M290 HydrophobicContact CZ-SD 4.12Å; V277-M290 HydrophobicContact CB-CE 4.02Å; V277-M290 HydrophobicContact CG1-CE 3.93Å; V277-M290 HydrophobicContact CG2-CE 4Å; M290-V315 HydrophobicContact CB-CG2 4.45Å; M290-V315 HydrophobicContact CG-CG2 4.25Å; M290-V315 VanDerWaalsContact O-CG2 3.24Å; M290-V315 WeakPolarHBondContact O-CG2 3.32Å; M290-D322 PolarHBondContact N-O 2.91Å; M290-L324 HydrophobicContact CB-CD1 3.99Å; M290-L324 HydrophobicContact CB-CG 4.33Å; M290-L324 HydrophobicContact CE-CD1 4.02Å; M290-I332 HydrophobicContact CE-CG1 4.11Å; M290-I332 HydrophobicContact CG-CG1 4.28Å; M290-I332 HydrophobicContact CG-CG2 4.16Å; M290-L361 HydrophobicContact CE-CB 3.94Å; M290-L361 HydrophobicContact CE-CD1 3.93Å; M290-L361 HydrophobicContact CE-CG 4.38Å; M290-L361 HydrophobicContact SD-CB 4.34Å
291R94.5Very high92Very high83 Ų8359.9 Ų59.931%0.31331%0.312SS..EExtended strand (participates in β ladder)trans-128147.4170.7-57.3-163.8-61.1-104-1.5111N289 I360 E362N289-R291 WeakPolarHBondContact OD1-CG 3.43Å; R291-I360 PolarHBondContact N-O 2.9Å; R291-I360 PolarHBondContact O-N 3.35Å; R291-E362 IonicContact CZ-OE1 3.5Å; R291-E362 IonicContact CZ-OE2 2.9Å; R291-E362 VanDerWaalsContact CZ-OE2 3.23Å; R291-E362 IonicContact NH1-OE1 3.17Å; R291-E362 IonicContact NH1-OE2 3.47Å; R291-E362 PolarHBondContact NH1-OE2 3.16Å; R291-E362 IonicContact NH2-OE1 2.82Å; R291-E362 PolarHBondContact NH2-OE1 3.38Å; R291-E362 IonicContact NH2-OE2 3.98Å; R291-E362 PolarHBondContact NH2-OE2 2.92Å; R291-E362 VanDerWaalsContact NH2-OE2 3.07Å
292A95.3Very high92.2Very high1 Ų162 Ų621%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-133.5134.9176.700000110.2I313 V315 V358 V359A292-I313 HydrophobicContact CB-CB 4.04Å; A292-I313 HydrophobicContact CB-CD1 4.41Å; A292-I313 PolarHBondContact O-N 2.94Å; A292-V315 HydrophobicContact CB-CG1 3.96Å; A292-V358 CarbonylContact C-O 3.55Å; A292-V358 WeakPolarHBondContact CA-O 3.49Å; A292-V359 HydrophobicContact CB-CG1 4.24Å
293K95.3Very high92.6Very high56 Ų5658.6 Ų58.624%0.24331%0.309CS..EExtended strand (participates in β ladder)trans-122.8130.9178-65.5-164.7176.7-58.80110.4T311 D312 I357 V358K293-T311 CarbonylContact C-O 3.58Å; K293-T311 WeakPolarHBondContact CA-O 2.85Å; K293-D312 IonicContact NZ-OD1 2.81Å; K293-D312 PolarHBondContact NZ-OD1 3.34Å; K293-I357 CarbonylContact O-C 3.53Å; K293-I357 WeakPolarHBondContact O-CA 3.45Å; K293-V358 PolarHBondContact N-O 2.99Å; K293-V358 PolarHBondContact O-N 3.46Å
294L94.9Very high92.9Very high9 Ų963.7 Ų63.75%0.04733%0.331CS..EExtended strand (participates in β ladder)trans-83.6126.3166.9-177.463.5000109Q310 T311 I313 P341 F342 F355 I357L294-Q310 WeakPolarHBondContact O-CA 3.32Å; L294-T311 WeakPolarHBondContact CB-OG1 3.43Å; L294-T311 PolarHBondContact N-O 2.85Å; L294-T311 PolarHBondContact O-N 3.15Å; L294-I313 HydrophobicContact CB-CD1 3.95Å; L294-I313 HydrophobicContact CB-CG1 4.11Å; L294-P341 HydrophobicContact CD2-CB 3.31Å; L294-P341 HydrophobicContact CD2-CG 3.77Å; L294-F342 HydrophobicContact CD1-CE1 4.42Å; L294-F342 HydrophobicContact CD1-CZ 3.81Å; L294-F342 HydrophobicContact CD2-CZ 4.39Å; L294-F355 HydrophobicContact CD1-CB 3.76Å; L294-F355 HydrophobicContact CD1-CD2 3.59Å; L294-F355 HydrophobicContact CD1-CG 3.91Å; L294-I357 HydrophobicContact CD1-CG1 4.06Å
295I94.3Very high93.1Very high9 Ų966 Ų665%0.04634%0.34CS..EExtended strand (participates in β ladder)trans-109.1113.4173.5-54.5-172000108Y108 L308 D309 Q310 E356 V358Y108-I295 HydrophobicContact CD1-CD1 3.39Å; Y108-I295 HydrophobicContact CE1-CD1 3.9Å; Y108-I295 HydrophobicContact CG-CD1 4.08Å; I295-L308 HydrophobicContact CG2-CB 4.01Å; I295-L308 HydrophobicContact CG2-CD2 3.66Å; I295-L308 HydrophobicContact CG2-CG 4.39Å; I295-D309 WeakPolarHBondContact CA-O 3.43Å; I295-Q310 HydrophobicContact CG1-CG 4.35Å; I295-E356 HydrophobicContact CB-CB 4.46Å; I295-E356 PolarHBondContact N-O 2.93Å; I295-E356 PolarHBondContact O-N 2.92Å; I295-V358 HydrophobicContact CD1-CB 4.37Å; I295-V358 HydrophobicContact CD1-CG2 3.45Å; I295-V358 VanDerWaalsContact CD1-CG2 3.45Å; I295-V358 HydrophobicContact CG1-CG2 4.09Å
296K91.8Very high93.1Very high75 Ų7567.6 Ų67.633%0.32635%0.348SS..EExtended strand (participates in β ladder)trans-143146.4178.2-170.2179.1-179.8-179.60110D309 E353 F355K296-D309 PolarHBondContact N-O 2.95Å; K296-D309 VanDerWaalsContact N-O 3.1Å; K296-D309 WeakPolarHBondContact O-CA 3.23Å; K296-D309 VanDerWaalsContact O-CB 3.27Å; K296-D309 WeakPolarHBondContact O-CB 3.33Å; K296-D309 PolarHBondContact O-N 3.16Å; K296-E353 IonicContact NZ-OE1 3.81Å; K296-E353 PolarHBondContact NZ-OE1 3.32Å; K296-F355 HydrophobicContact CB-CB 4.4Å; K296-F355 HydrophobicContact CG-CB 4.45Å
297S90.8Very high92.9Very high38 Ų3868 Ų6827%0.26635%0.352SS..EExtended strand (participates in β ladder)trans-75.6128171.3-49.70000109R105 I306 P307R105-S297 PolarHBondContact NH2-OG 3.42Å; S297-I306 WeakPolarHBondContact CA-O 3.5Å; S297-P307 WeakPolarHBondContact CA-O 3.49Å; S297-P307 WeakPolarHBondContact CB-O 3.37Å; S297-P307 PolarHBondContact OG-O 3.44Å
298K88.9Confident92.9Very high108 Ų10868.6 Ų68.647%0.4734%0.341SS..EExtended strand (participates in β ladder)trans-123.8144.6-177.8-177.2179.9175.8-174.90110I306 D309K298-I306 PolarHBondContact N-O 3.32Å; K298-I306 PolarHBondContact O-N 2.88Å; K298-D309 HydrophobicContact CB-CB 4.01Å; K298-D309 VanDerWaalsContact CD-OD2 3.26Å; K298-D309 WeakPolarHBondContact CD-OD2 3.42Å
299Q92.6Very high92.9Very high137 Ų13770.4 Ų70.464%0.6435%0.35SS*.EExtended strand (participates in β ladder)trans-112.2128.7165.6-168.3171.818.200108.4E304Q299-E304 CarbonylContact C-O 3.5Å; Q299-E304 VanDerWaalsContact CA-O 3.32Å; Q299-E304 WeakPolarHBondContact CA-O 3.28Å
300T93.3Very high92.8Very high27 Ų2773.1 Ų73.117%0.16636%0.362CS..  trans-77.5166.517876.80000110.8E302 G303 E304 I306T300-E302 WeakPolarHBondContact CB-OE2 3.37Å; T300-E302 PolarHBondContact O-N 2.95Å; T300-E302 PolarHBondContact OG1-N 3.46Å; T300-E302 PolarHBondContact OG1-OE2 3.41Å; T300-G303 PolarHBondContact O-N 3.42Å; T300-E304 HydrophobicContact CG2-CB 4.15Å; T300-E304 PolarHBondContact N-O 2.9Å; T300-E304 WeakPolarHBondContact OG1-CB 3.38Å; T300-E304 PolarHBondContact OG1-N 3.35Å; T300-I306 HydrophobicContact CG2-CD1 4.07Å
301Q90.9Very high92.7Very high197 Ų19775.4 Ų75.492%0.92138%0.376SS*.THydrogen-bonded Turntrans-66.6-27.1179.3-62.1-175.61500111.6G303Q301-G303 PolarHBondContact O-N 3.4Å
302E94.1Very high92.6Very high160 Ų16075.5 Ų75.575%0.74838%0.382SS*.THydrogen-bonded Turntrans-75.5-7.6175.2-53.474-159.400112.4T300T300-E302 WeakPolarHBondContact CB-OE2 3.37Å; T300-E302 PolarHBondContact O-N 2.95Å; T300-E302 PolarHBondContact OG1-N 3.46Å; T300-E302 PolarHBondContact OG1-OE2 3.41Å
303G92.3Very high92.5Very high41 Ų4175.7 Ų75.742%0.42338%0.383SS..  trans93.23.6177.300000115T300 Q301 F305T300-G303 PolarHBondContact O-N 3.42Å; Q301-G303 PolarHBondContact O-N 3.4Å; G303-F305 PolarHBondContact O-N 3.37Å
304E95.1Very high92.3Very high129 Ų12975.5 Ų75.560%0.60339%0.389SS*.  trans-68.9128.7175.4-175.3178.8-170.600110.4Q299 T300 I306Q299-E304 CarbonylContact C-O 3.5Å; Q299-E304 VanDerWaalsContact CA-O 3.32Å; Q299-E304 WeakPolarHBondContact CA-O 3.28Å; T300-E304 HydrophobicContact CG2-CB 4.15Å; T300-E304 PolarHBondContact N-O 2.9Å; T300-E304 WeakPolarHBondContact OG1-CB 3.38Å; T300-E304 PolarHBondContact OG1-N 3.35Å; E304-I306 HydrophobicContact CG-CG1 4.41Å
305F93.6Very high92.1Very high127 Ų12775.7 Ų75.756%0.55739%0.39SS*.EExtended strand (participates in β ladder)trans-98.2116.4176.4179.2-100.6000110.3G303 P307G303-F305 PolarHBondContact O-N 3.37Å; F305-P307 HydrophobicContact CD1-CG 4.09Å; F305-P307 HydrophobicContact CE1-CB 4.06Å; F305-P307 HydrophobicContact CE1-CG 3.89Å; F305-P307 WeakPolarHBondContact O-CD 3.43Å
306I92.7Very high91.7Very high49 Ų4976.2 Ų76.225%0.25140%0.398SS..EExtended strand (participates in β ladder)trans-102.3108.6177.3-55.8174.1000107.8S297 K298 T300 E304 L308 D309S297-I306 WeakPolarHBondContact CA-O 3.5Å; K298-I306 PolarHBondContact N-O 3.32Å; K298-I306 PolarHBondContact O-N 2.88Å; T300-I306 HydrophobicContact CG2-CD1 4.07Å; E304-I306 HydrophobicContact CG-CG1 4.41Å; I306-L308 PolarHBondContact O-N 3.26Å; I306-D309 HydrophobicContact CB-CB 4.4Å; I306-D309 HydrophobicContact CG2-CB 3.85Å
307P87.9Confident91.4Very high77 Ų7779.2 Ų79.250%0.541%0.411SS..EExtended strand (participates in β ladder)trans-63.3-38-171.7-24.933.8000114.9S297 F305S297-P307 WeakPolarHBondContact CA-O 3.49Å; S297-P307 WeakPolarHBondContact CB-O 3.37Å; S297-P307 PolarHBondContact OG-O 3.44Å; F305-P307 HydrophobicContact CD1-CG 4.09Å; F305-P307 HydrophobicContact CE1-CB 4.06Å; F305-P307 HydrophobicContact CE1-CG 3.89Å; F305-P307 WeakPolarHBondContact O-CD 3.43Å
308L89.2Confident91.2Very high75 Ų7585 Ų8539%0.39343%0.434SS..EExtended strand (participates in β ladder)trans-138.671.4-177.3-64.2173.6000108.7Y108 I295 I306Y108-L308 HydrophobicContact CD2-CD1 3.73Å; Y108-L308 HydrophobicContact CE2-CD1 3.8Å; I295-L308 HydrophobicContact CG2-CB 4.01Å; I295-L308 HydrophobicContact CG2-CD2 3.66Å; I295-L308 HydrophobicContact CG2-CG 4.39Å; I306-L308 PolarHBondContact O-N 3.26Å
309D93.3Very high91.1Very high39 Ų3984.4 Ų84.421%0.20944%0.439CS..EExtended strand (participates in β ladder)trans-67133173.9-169.427.7000108.9I295 K296 K298 I306I295-D309 WeakPolarHBondContact CA-O 3.43Å; K296-D309 PolarHBondContact N-O 2.95Å; K296-D309 VanDerWaalsContact N-O 3.1Å; K296-D309 WeakPolarHBondContact O-CA 3.23Å; K296-D309 VanDerWaalsContact O-CB 3.27Å; K296-D309 WeakPolarHBondContact O-CB 3.33Å; K296-D309 PolarHBondContact O-N 3.16Å; K298-D309 HydrophobicContact CB-CB 4.01Å; K298-D309 VanDerWaalsContact CD-OD2 3.26Å; K298-D309 WeakPolarHBondContact CD-OD2 3.42Å; I306-D309 HydrophobicContact CB-CB 4.4Å; I306-D309 HydrophobicContact CG2-CB 3.85Å
310Q93.3Very high90.8Very high97 Ų9778.5 Ų78.545%0.45342%0.415SS..EExtended strand (participates in β ladder)trans-113105.5-176.8-61.9-174.617.800109L294 I295L294-Q310 WeakPolarHBondContact O-CA 3.32Å; I295-Q310 HydrophobicContact CG1-CG 4.35Å
311T92.9Very high90.6Very high50 Ų5082.4 Ų82.431%0.30744%0.435SS..EExtended strand (participates in β ladder)trans-106.9136.9175.656.60000110.3K293 L294K293-T311 CarbonylContact C-O 3.58Å; K293-T311 WeakPolarHBondContact CA-O 2.85Å; L294-T311 WeakPolarHBondContact CB-OG1 3.43Å; L294-T311 PolarHBondContact N-O 2.85Å; L294-T311 PolarHBondContact O-N 3.15Å
312D93Very high90.6Very high85 Ų8573.6 Ų73.646%0.45540%0.395SS..EExtended strand (participates in β ladder)trans-77.8139.4-179.3-148.855.5000110.7K293K293-D312 IonicContact NZ-OD1 2.81Å; K293-D312 PolarHBondContact NZ-OD1 3.34Å
313I93.1Very high90.5Very high4 Ų474.7 Ų74.72%0.02139%0.392CS..EExtended strand (participates in β ladder)trans-105.7123.3176.9-62168.1000107.7A292 L294 V315 H334 F342 I357A292-I313 HydrophobicContact CB-CB 4.04Å; A292-I313 HydrophobicContact CB-CD1 4.41Å; A292-I313 PolarHBondContact O-N 2.94Å; L294-I313 HydrophobicContact CB-CD1 3.95Å; L294-I313 HydrophobicContact CB-CG1 4.11Å; I313-V315 PolarHBondContact O-N 3.18Å; I313-V315 VanDerWaalsContact O-N 3.16Å; I313-H334 HydrophobicContact CG2-CB 3.9Å; I313-H334 VanDerWaalsContact CG2-CD2 3.46Å; I313-H334 WeakPolarHBondContact CG2-CD2 3.35Å; I313-H334 VanDerWaalsContact CG2-ND1 3.3Å; I313-H334 WeakPolarHBondContact CG2-ND1 3.41Å; I313-F342 HydrophobicContact CD1-CE2 3.91Å; I313-F342 HydrophobicContact CG1-CE2 4.48Å; I313-I357 HydrophobicContact CD1-CG1 4.34Å; I313-I357 HydrophobicContact CD1-CG2 3.89Å
314S90.8Very high90.5Very high52 Ų5273.9 Ų73.936%0.36438%0.377SS..  trans-70.4107.3-179.652.80000111.9H334S314-H334 PolarHBondContact O-ND1 3.19Å; S314-H334 PolarHBondContact OG-CE1 2.95Å
315V91Very high90.4Very high14 Ų1475.8 Ų75.89%0.08538%0.384CS..SBendtrans-104.926.1177.1-67.60000112.7M290 A292 I313 I332 H334M290-V315 HydrophobicContact CB-CG2 4.45Å; M290-V315 HydrophobicContact CG-CG2 4.25Å; M290-V315 VanDerWaalsContact O-CG2 3.24Å; M290-V315 WeakPolarHBondContact O-CG2 3.32Å; A292-V315 HydrophobicContact CB-CG1 3.96Å; I313-V315 PolarHBondContact O-N 3.18Å; I313-V315 VanDerWaalsContact O-N 3.16Å; V315-I332 HydrophobicContact CB-CG2 3.86Å; V315-I332 HydrophobicContact CG1-CG2 3.96Å; V315-H334 HydrophobicContact CG1-CB 4.38Å
316G85.6Confident90.3Very high19 Ų1970 Ų7020%0.19636%0.359CS..SBendtrans111.917.3-175.400000115.2E318 T319 G320 D321 D322G316-E318 VanDerWaalsContact C-N 3.35Å; G316-E318 PolarHBondContact O-N 2.6Å; G316-T319 PolarHBondContact O-N 2.86Å; G316-T319 PolarHBondContact O-OG1 3.42Å; G316-G320 CarbonylContact O-C 3.53Å; G316-G320 WeakPolarHBondContact O-CA 3.39Å; G316-G320 PolarHBondContact O-N 2.94Å; G316-D321 PolarHBondContact O-N 3.37Å; G316-D322 PolarHBondContact O-N 2.92Å
317F85.6Confident90.1Very high139 Ų13971 Ų7161%0.6137%0.367SS*.THydrogen-bonded Turntrans-59.3-41.1-179.7-176.8-101.6000113.3G320F317-G320 PolarHBondContact O-N 3.36Å
318E84.9Confident90.3Very high158 Ų15868.9 Ų68.974%0.73835%0.354SS*.THydrogen-bonded Turntrans-69.6-34.9-178.5-60.9-65.814200112.7G316G316-E318 VanDerWaalsContact C-N 3.35Å; G316-E318 PolarHBondContact O-N 2.6Å
319T87.4Confident90.5Very high96 Ų9665.9 Ų65.959%0.58934%0.339SS*.THydrogen-bonded Turntrans-89.7-16.218051.30000112.5G316 D321G316-T319 PolarHBondContact O-N 2.86Å; G316-T319 PolarHBondContact O-OG1 3.42Å; T319-D321 VanDerWaalsContact C-N 3.3Å; T319-D321 VanDerWaalsContact CB-OD2 3.27Å; T319-D321 WeakPolarHBondContact CB-OD2 3.42Å; T319-D321 PolarHBondContact OG1-OD2 3.43Å
320G87.4Confident90.6Very high13 Ų1366.6 Ų66.613%0.13434%0.343CS..THydrogen-bonded Turntrans77.713.6-172.200000113.9G316 F317 D322 R323G316-G320 CarbonylContact O-C 3.53Å; G316-G320 WeakPolarHBondContact O-CA 3.39Å; G316-G320 PolarHBondContact O-N 2.94Å; F317-G320 PolarHBondContact O-N 3.36Å; G320-D322 VanDerWaalsContact C-OD1 3.29Å; G320-D322 WeakPolarHBondContact CA-OD1 3.44Å; G320-D322 PolarHBondContact O-N 3.29Å; G320-R323 PolarHBondContact O-N 3.24Å; G320-R323 PolarHBondContact O-NE 3.33Å
321D88.6Confident90.7Very high110 Ų11064.3 Ų64.359%0.58834%0.335SS*.THydrogen-bonded Turntrans-73.4-8.7174.4-64.5-39.5000112.3G316 T319 R323G316-D321 PolarHBondContact O-N 3.37Å; T319-D321 VanDerWaalsContact C-N 3.3Å; T319-D321 VanDerWaalsContact CB-OD2 3.27Å; T319-D321 WeakPolarHBondContact CB-OD2 3.42Å; T319-D321 PolarHBondContact OG1-OD2 3.43Å; D321-R323 PolarHBondContact O-N 2.93Å
322D90.1Very high90.8Very high12 Ų1262.5 Ų62.56%0.06432%0.324CS..THydrogen-bonded Turntrans-64.1-22.6169.570.7-41.7000112.4N289 M290 G316 G320 L324N289-D322 WeakPolarHBondContact CA-O 3.44Å; N289-D322 PolarHBondContact ND2-OD2 3.01Å; N289-D322 PolarHBondContact OD1-OD2 3.49Å; M290-D322 PolarHBondContact N-O 2.91Å; G316-D322 PolarHBondContact O-N 2.92Å; G320-D322 VanDerWaalsContact C-OD1 3.29Å; G320-D322 WeakPolarHBondContact CA-OD1 3.44Å; G320-D322 PolarHBondContact O-N 3.29Å; D322-L324 PolarHBondContact O-N 3.29Å
323R92.8Very high90.9Very high183 Ų18360.1 Ų60.169%0.69131%0.314SS*.EExtended strand (participates in β ladder)trans-81.6103.7174-65.6177-70-178.1-3.4110.1A288 G320 D321A288-R323 CarbonylContact O-C 3.52Å; A288-R323 WeakPolarHBondContact O-CA 3.5Å; G320-R323 PolarHBondContact O-N 3.24Å; G320-R323 PolarHBondContact O-NE 3.33Å; D321-R323 PolarHBondContact O-N 2.93Å
324L92.4Very high91Very high23 Ų2360 Ų6012%0.1231%0.313CS..EExtended strand (participates in β ladder)trans-87.5138-172.7-54.1-177.6000112.1V277 A288 M290 D322 L326 L330 I332 L361V277-L324 HydrophobicContact CG1-CD1 4.18Å; A288-L324 HydrophobicContact CB-CB 4.06Å; A288-L324 PolarHBondContact O-N 3.43Å; M290-L324 HydrophobicContact CB-CD1 3.99Å; M290-L324 HydrophobicContact CB-CG 4.33Å; M290-L324 HydrophobicContact CE-CD1 4.02Å; D322-L324 PolarHBondContact O-N 3.29Å; L324-L326 HydrophobicContact CB-CB 4.45Å; L324-L330 HydrophobicContact CB-CD1 4.43Å; L324-L330 HydrophobicContact CD2-CD1 4.45Å; L324-I332 HydrophobicContact CD1-CD1 3.82Å; L324-I332 HydrophobicContact CD2-CD1 3.6Å; L324-I332 HydrophobicContact CG-CD1 4.38Å; L324-L361 HydrophobicContact CD1-CD1 4.01Å
325F92.7Very high91.1Very high170 Ų17061.9 Ų61.975%0.74632%0.316SS*.  trans-97.182.2158.9-177.9-111.5000109.1V327F325-V327 HydrophobicContact CD1-CG2 4.12Å; F325-V327 HydrophobicContact CD2-CG2 4.5Å; F325-V327 HydrophobicContact CE1-CB 4.38Å; F325-V327 HydrophobicContact CE1-CG2 3.51Å; F325-V327 HydrophobicContact CE2-CG2 3.94Å; F325-V327 HydrophobicContact CZ-CG2 3.41Å; F325-V327 VanDerWaalsContact CZ-CG2 3.41Å; F325-V327 PolarHBondContact O-N 3.37Å
326L91.2Very high91.2Very high6 Ų661.7 Ų61.73%0.03132%0.315CS..  trans-8986.3-170.8-170.167.8000111.6L256 V277 D279 L324 L330 L361L256-L326 HydrophobicContact CD2-CD2 4.2Å; V277-L326 HydrophobicContact CG1-CD1 4Å; V277-L326 HydrophobicContact CG2-CD2 4.28Å; D279-L326 HydrophobicContact CB-CD2 4.34Å; D279-L326 HydrophobicContact CB-CG 4.5Å; L324-L326 HydrophobicContact CB-CB 4.45Å; L326-L330 HydrophobicContact CD1-CB 4.31Å; L326-L330 HydrophobicContact CD1-CD1 4.15Å; L326-L330 HydrophobicContact CD1-CG 4.06Å; L326-L361 HydrophobicContact CD2-CD2 4.03Å
327V89.8Confident91.4Very high69 Ų6962.6 Ų62.642%0.41832%0.315SS..SBendtrans-107.2-54.7170-178.20000110.2F325F325-V327 HydrophobicContact CD1-CG2 4.12Å; F325-V327 HydrophobicContact CD2-CG2 4.5Å; F325-V327 HydrophobicContact CE1-CB 4.38Å; F325-V327 HydrophobicContact CE1-CG2 3.51Å; F325-V327 HydrophobicContact CE2-CG2 3.94Å; F325-V327 HydrophobicContact CZ-CG2 3.41Å; F325-V327 VanDerWaalsContact CZ-CG2 3.41Å; F325-V327 PolarHBondContact O-N 3.37Å
328S91.3Very high91.6Very high33 Ų3360.2 Ų60.223%0.23132%0.315CS..SBendtrans-93.7156.7168.356.20000110.3L330S328-L330 PolarHBondContact O-N 3.38Å
329P94.1Very high91.8Very high12 Ų1262 Ų628%0.07832%0.315CS..  trans-53.2130.3171.6-32.641.6000113.1R276 V277 M392 I402 Y404 F407R276-P329 HydrophobicContact CG-CB 4.27Å; V277-P329 CarbonylContact O-C 3.57Å; V277-P329 VanDerWaalsContact O-CA 3.23Å; V277-P329 WeakPolarHBondContact O-CA 3.47Å; P329-M392 HydrophobicContact CB-CE 4.21Å; P329-M392 HydrophobicContact CB-SD 3.75Å; P329-M392 HydrophobicContact CG-CE 3.76Å; P329-M392 HydrophobicContact CG-SD 3.98Å; P329-I402 HydrophobicContact CG-CG2 4.14Å; P329-Y404 HydrophobicContact CG-CE1 3.92Å; P329-F407 HydrophobicContact CB-CD2 4.07Å; P329-F407 HydrophobicContact CB-CE2 3.9Å; P329-F407 HydrophobicContact CG-CD2 4.13Å; P329-F407 HydrophobicContact CG-CE2 4.19Å
330L94.3Very high91.9Very high53 Ų5357.8 Ų57.828%0.27729%0.29SS..EExtended strand (participates in β ladder)trans-112.2142.8-179.5-63.3178.5000110.3R276 V277 L324 L326 S328 I332R276-L330 WeakPolarHBondContact CA-O 3.49Å; V277-L330 HydrophobicContact CG1-CB 4.43Å; V277-L330 PolarHBondContact N-O 2.93Å; V277-L330 PolarHBondContact O-N 2.88Å; L324-L330 HydrophobicContact CB-CD1 4.43Å; L324-L330 HydrophobicContact CD2-CD1 4.45Å; L326-L330 HydrophobicContact CD1-CB 4.31Å; L326-L330 HydrophobicContact CD1-CD1 4.15Å; L326-L330 HydrophobicContact CD1-CG 4.06Å; S328-L330 PolarHBondContact O-N 3.38Å; L330-I332 HydrophobicContact CB-CD1 4.47Å
331V95.1Very high92Very high50 Ų5059.8 Ų59.830%0.30330%0.3SS..EExtended strand (participates in β ladder)trans-94.3109.8170.5-179.30000107.5M274 R276 F389M274-V331 HydrophobicContact CB-CG1 3.74Å; M274-V331 HydrophobicContact CG-CG1 4.03Å; M274-V331 HydrophobicContact SD-CG1 4.05Å; R276-V331 HydrophobicContact CG-CG2 4.44Å; V331-F389 HydrophobicContact CG1-CD2 3.93Å; V331-F389 HydrophobicContact CG1-CE2 4.21Å; V331-F389 HydrophobicContact CG2-CD2 4.1Å
332I95.6Very high92.2Very high12 Ų1254.7 Ų54.76%0.06227%0.273CS..EExtended strand (participates in β ladder)trans-76.8129.2173.6-51.1-53000107.5M274 F275 V277 M290 V315 L324 L330M274-I332 WeakPolarHBondContact CA-O 3.23Å; F275-I332 HydrophobicContact CD1-CB 4.5Å; F275-I332 HydrophobicContact CD2-CB 4.15Å; F275-I332 HydrophobicContact CD2-CG1 4.28Å; F275-I332 HydrophobicContact CE1-CB 4.09Å; F275-I332 HydrophobicContact CE1-CG2 3.99Å; F275-I332 HydrophobicContact CE2-CB 3.72Å; F275-I332 HydrophobicContact CE2-CG1 3.75Å; F275-I332 HydrophobicContact CE2-CG2 4.13Å; F275-I332 HydrophobicContact CZ-CB 3.69Å; F275-I332 HydrophobicContact CZ-CG1 4.13Å; F275-I332 HydrophobicContact CZ-CG2 3.6Å; F275-I332 PolarHBondContact N-O 3.45Å; F275-I332 PolarHBondContact O-N 3.45Å; V277-I332 HydrophobicContact CG1-CD1 3.96Å; V277-I332 HydrophobicContact CG1-CG1 3.88Å; M290-I332 HydrophobicContact CE-CG1 4.11Å; M290-I332 HydrophobicContact CG-CG1 4.28Å; M290-I332 HydrophobicContact CG-CG2 4.16Å; V315-I332 HydrophobicContact CB-CG2 3.86Å; V315-I332 HydrophobicContact CG1-CG2 3.96Å; L324-I332 HydrophobicContact CD1-CD1 3.82Å; L324-I332 HydrophobicContact CD2-CD1 3.6Å; L324-I332 HydrophobicContact CG-CD1 4.38Å; L330-I332 HydrophobicContact CB-CD1 4.47Å
333S94.5Very high92.3Very high35 Ų3556.8 Ų56.825%0.24528%0.28CS..EExtended strand (participates in β ladder)trans-120.4123.7-176.6-174.80000109.6
334H94.9Very high92.2Very high1 Ų152.4 Ų52.41%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-101.1116.3166.8169.259.8000108.4C272 L273 I313 S314 V315 S340C272-H334 CarbonylContact C-O 3.58Å; C272-H334 VanDerWaalsContact CA-O 3.26Å; C272-H334 WeakPolarHBondContact CA-O 3.42Å; L273-H334 HydrophobicContact CB-CB 4.41Å; L273-H334 PolarHBondContact N-O 3.47Å; L273-H334 PolarHBondContact O-N 2.96Å; I313-H334 HydrophobicContact CG2-CB 3.9Å; I313-H334 VanDerWaalsContact CG2-CD2 3.46Å; I313-H334 WeakPolarHBondContact CG2-CD2 3.35Å; I313-H334 VanDerWaalsContact CG2-ND1 3.3Å; I313-H334 WeakPolarHBondContact CG2-ND1 3.41Å; S314-H334 PolarHBondContact O-ND1 3.19Å; S314-H334 PolarHBondContact OG-CE1 2.95Å; V315-H334 HydrophobicContact CG1-CB 4.38Å; H334-S340 WeakPolarHBondContact NE2-CB 3.26Å; H334-S340 PolarHBondContact NE2-OG 3.33Å
335E93.3Very high92.1Very high92 Ų9252 Ų5243%0.4327%0.268SS..EExtended strand (participates in β ladder)trans-72.4126170.9-60.2-167.5169.500109.6K270 D337K270-E335 WeakPolarHBondContact CD-OE2 3.36Å; K270-E335 IonicContact NZ-OE1 3.29Å; K270-E335 PolarHBondContact NZ-OE1 3.04Å; K270-E335 IonicContact NZ-OE2 3.47Å; K270-E335 PolarHBondContact NZ-OE2 3.11Å; E335-D337 VanDerWaalsContact C-N 3.32Å; E335-D337 PolarHBondContact O-N 3.39Å
336I94.1Very high92.1Very high10 Ų1045 Ų455%0.05124%0.24CC..  trans-81.286.1177.5-58170.7000107.7I264 L271 F342 W343 A420I264-I336 HydrophobicContact CG2-CD1 4.46Å; L271-I336 HydrophobicContact CB-CB 4.5Å; L271-I336 HydrophobicContact CB-CD1 4.3Å; L271-I336 HydrophobicContact CD2-CD1 3.8Å; L271-I336 HydrophobicContact CG-CD1 3.98Å; L271-I336 VanDerWaalsContact O-CB 3.26Å; L271-I336 WeakPolarHBondContact O-CB 3.33Å; L271-I336 WeakPolarHBondContact O-CG1 3.26Å; L271-I336 PolarHBondContact O-N 2.98Å; I336-F342 HydrophobicContact CD1-CB 4.02Å; I336-F342 HydrophobicContact CG1-CB 4.13Å; I336-F342 HydrophobicContact CG2-CB 3.81Å; I336-W343 HydrophobicContact CG2-CE3 4.34Å; I336-W343 WeakPolarHBondContact O-CZ3 3.28Å; I336-A420 HydrophobicContact CB-CB 4.19Å; I336-A420 HydrophobicContact CG2-CB 3.55Å
337D89.7Confident92Very high38 Ų3848 Ų4820%0.20325%0.254CS..  trans-87.5-179.5174.478.2-10.9000112E335 R339 S340E335-D337 VanDerWaalsContact C-N 3.32Å; E335-D337 PolarHBondContact O-N 3.39Å; D337-R339 PolarHBondContact O-N 2.86Å; D337-R339 WeakPolarHBondContact OD1-CA 3.34Å; D337-R339 WeakPolarHBondContact OD1-CB 3.37Å; D337-R339 PolarHBondContact OD1-N 3.25Å; D337-R339 IonicContact OD2-CZ 2.62Å; D337-R339 IonicContact OD2-NE 3.41Å; D337-R339 PolarHBondContact OD2-NE 2.65Å; D337-R339 VanDerWaalsContact OD2-NE 3.1Å; D337-R339 IonicContact OD2-NH2 3.76Å; D337-R339 PolarHBondContact OD2-NH2 3.35Å; D337-S340 VanDerWaalsContact O-CB 3.25Å; D337-S340 WeakPolarHBondContact O-CB 3.34Å; D337-S340 PolarHBondContact O-N 2.93Å; D337-S340 VanDerWaalsContact O-N 3.09Å; D337-S340 PolarHBondContact OD1-N 3.12Å
338S89.4Confident92Very high88 Ų8847.4 Ų47.462%0.61526%0.257SS*.THydrogen-bonded Turntrans-65.2-16.1178.357.60000114.5
339R88.4Confident91.9Very high195 Ų19549.8 Ų49.874%0.73626%0.264SS*.THydrogen-bonded Turntrans-92.3-18.3176-65176.8-72.2-163.1-2.4111.7D337D337-R339 PolarHBondContact O-N 2.86Å; D337-R339 WeakPolarHBondContact OD1-CA 3.34Å; D337-R339 WeakPolarHBondContact OD1-CB 3.37Å; D337-R339 PolarHBondContact OD1-N 3.25Å; D337-R339 IonicContact OD2-CZ 2.62Å; D337-R339 IonicContact OD2-NE 3.41Å; D337-R339 PolarHBondContact OD2-NE 2.65Å; D337-R339 VanDerWaalsContact OD2-NE 3.1Å; D337-R339 IonicContact OD2-NH2 3.76Å; D337-R339 PolarHBondContact OD2-NH2 3.35Å
340S90.9Very high91.7Very high8 Ų849.5 Ų49.56%0.05626%0.262CS..SBendtrans-63.9137.2178.5-178.60000111.5H334 D337 F342 W343H334-S340 WeakPolarHBondContact NE2-CB 3.26Å; H334-S340 PolarHBondContact NE2-OG 3.33Å; D337-S340 VanDerWaalsContact O-CB 3.25Å; D337-S340 WeakPolarHBondContact O-CB 3.34Å; D337-S340 PolarHBondContact O-N 2.93Å; D337-S340 VanDerWaalsContact O-N 3.09Å; D337-S340 PolarHBondContact OD1-N 3.12Å; S340-F342 PolarHBondContact O-N 2.98Å; S340-F342 PolarHBondContact OG-N 3.49Å; S340-W343 WeakPolarHBondContact O-CB 3.22Å; S340-W343 PolarHBondContact O-N 3.3Å; S340-W343 VanDerWaalsContact O-N 3.13Å
341P89.5Confident91.3Very high55 Ų5553.3 Ų53.336%0.35728%0.278SS..THydrogen-bonded Turntrans-60.1-16.3171.5-22.733.3000114.2L294L294-P341 HydrophobicContact CD2-CB 3.31Å; L294-P341 HydrophobicContact CD2-CG 3.77Å
342F91.9Very high91Very high3 Ų358.5 Ų58.51%0.01330%0.297CS..THydrogen-bonded Turntrans-91.72.1-179.4-60.7-73.6000113.5L273 L294 I313 I336 S340 D344 M345 F355 I357L273-F342 HydrophobicContact CD1-CE2 4.15Å; L273-F342 HydrophobicContact CD1-CZ 4.19Å; L294-F342 HydrophobicContact CD1-CE1 4.42Å; L294-F342 HydrophobicContact CD1-CZ 3.81Å; L294-F342 HydrophobicContact CD2-CZ 4.39Å; I313-F342 HydrophobicContact CD1-CE2 3.91Å; I313-F342 HydrophobicContact CG1-CE2 4.48Å; I336-F342 HydrophobicContact CD1-CB 4.02Å; I336-F342 HydrophobicContact CG1-CB 4.13Å; I336-F342 HydrophobicContact CG2-CB 3.81Å; S340-F342 PolarHBondContact O-N 2.98Å; S340-F342 PolarHBondContact OG-N 3.49Å; F342-D344 PolarHBondContact O-N 3.19Å; F342-M345 HydrophobicContact CD1-CE 3.76Å; F342-M345 HydrophobicContact CD1-SD 3.76Å; F342-M345 HydrophobicContact CE1-CE 4.11Å; F342-M345 HydrophobicContact CE1-SD 4.26Å; F342-M345 WeakPolarHBondContact O-CB 3.43Å; F342-M345 PolarHBondContact O-N 3.32Å; F342-M345 VanDerWaalsContact O-N 3.09Å; F342-F355 HydrophobicContact CE1-CD2 4.21Å; F342-F355 HydrophobicContact CE1-CE1 4.25Å; F342-F355 AromaticContact CE1-CE2 3.79Å; F342-F355 HydrophobicContact CE1-CE2 3.79Å; F342-F355 AromaticContact CE1-CZ 3.81Å; F342-F355 HydrophobicContact CE1-CZ 3.81Å; F342-F355 HydrophobicContact CZ-CD2 4.35Å; F342-F355 HydrophobicContact CZ-CE2 4.08Å; F342-I357 HydrophobicContact CE1-CD1 4.49Å; F342-I357 HydrophobicContact CE2-CD1 4.32Å; F342-I357 HydrophobicContact CZ-CD1 3.68Å; F342-I357 HydrophobicContact CZ-CG1 3.96Å
343W92.9Very high90.5Very high57 Ų5760.6 Ų60.622%0.21631%0.306CS..THydrogen-bonded Turntrans-57.2-46.2-173.2-176.9-118.8000114.6I336 S340 M345 A420 R421 A424I336-W343 HydrophobicContact CG2-CE3 4.34Å; I336-W343 WeakPolarHBondContact O-CZ3 3.28Å; S340-W343 WeakPolarHBondContact O-CB 3.22Å; S340-W343 PolarHBondContact O-N 3.3Å; S340-W343 VanDerWaalsContact O-N 3.13Å; W343-M345 VanDerWaalsContact C-N 3.3Å; W343-A420 HydrophobicContact CD2-CB 4.44Å; W343-A420 HydrophobicContact CE3-CB 3.61Å; W343-A420 HydrophobicContact CZ3-CB 3.85Å; W343-A420 PolarHBondContact O-N 2.96Å; W343-R421 HydrophobicContact CD2-CB 4.14Å; W343-R421 HydrophobicContact CG-CB 4.29Å; W343-R421 HydrophobicContact CZ2-CB 4.14Å; W343-R421 HydrophobicContact CZ2-CG 4.38Å; W343-R421 PolarHBondContact O-N 3.4Å; W343-A424 HydrophobicContact CH2-CB 3.42Å; W343-A424 VanDerWaalsContact CH2-CB 3.42Å; W343-A424 HydrophobicContact CZ2-CB 3.91Å; W343-A424 HydrophobicContact CZ3-CB 4.41Å
344D90.9Very high90.2Very high90 Ų9063.3 Ų63.348%0.48132%0.318SS..THydrogen-bonded Turntrans-87.84.9-179.8-71-53.5000112.9F342 Q349 R421F342-D344 PolarHBondContact O-N 3.19Å; D344-Q349 PolarHBondContact O-OE1 2.81Å; D344-Q349 VanDerWaalsContact O-OE1 3.04Å; D344-R421 WeakPolarHBondContact OD1-CD 3.36Å; D344-R421 IonicContact OD1-CZ 3.58Å; D344-R421 IonicContact OD1-NE 3.78Å; D344-R421 IonicContact OD1-NH1 3.29Å; D344-R421 PolarHBondContact OD1-NH1 3Å
345M90.1Very high90.1Very high16 Ų1663.7 Ų63.78%0.07932%0.32CS..  trans-90.7122.7-172.7-166.2175.1-64.300112.3F342 W343 Q349 L350 E353 F355 S419F342-M345 HydrophobicContact CD1-CE 3.76Å; F342-M345 HydrophobicContact CD1-SD 3.76Å; F342-M345 HydrophobicContact CE1-CE 4.11Å; F342-M345 HydrophobicContact CE1-SD 4.26Å; F342-M345 WeakPolarHBondContact O-CB 3.43Å; F342-M345 PolarHBondContact O-N 3.32Å; F342-M345 VanDerWaalsContact O-N 3.09Å; W343-M345 VanDerWaalsContact C-N 3.3Å; M345-Q349 HydrophobicContact CG-CB 4.31Å; M345-L350 HydrophobicContact SD-CB 4.26Å; M345-L350 HydrophobicContact SD-CD1 3.45Å; M345-L350 WeakPolarHBondContact SD-CD1 3.46Å; M345-L350 HydrophobicContact SD-CG 4.47Å; M345-E353 HydrophobicContact CE-CB 4.32Å; M345-E353 HydrophobicContact CE-CG 3.85Å; M345-F355 HydrophobicContact CE-CD1 4.23Å; M345-F355 HydrophobicContact CE-CE1 4.02Å; M345-F355 HydrophobicContact SD-CE1 3.96Å; M345-S419 WeakPolarHBondContact O-CA 3.35Å; M345-S419 WeakPolarHBondContact O-CB 3.45Å
346S92Very high90.1Very high21 Ų2160 Ų6015%0.14730%0.302CS..  trans-97.7167.4171.460.60000112.3A348 Q349 L350S346-A348 VanDerWaalsContact C-N 3.31Å; S346-A348 PolarHBondContact O-N 3.24Å; S346-Q349 PolarHBondContact O-N 3.29Å; S346-Q349 WeakPolarHBondContact OG-CG 3.41Å; S346-Q349 PolarHBondContact OG-OE1 3.31Å; S346-L350 PolarHBondContact O-N 2.95Å
347Q90.5Very high90.2Very high69 Ų6959.6 Ų59.632%0.32230%0.3SS..Hα-helixtrans-55.1-44.4177.8-17617712.200112.7Q349 L350 W385 S417Q347-Q349 VanDerWaalsContact C-N 3.29Å; Q347-Q349 PolarHBondContact O-N 3.14Å; Q347-L350 WeakPolarHBondContact O-CB 3.39Å; Q347-L350 PolarHBondContact O-N 3.12Å; Q347-W385 HydrophobicContact CB-CD2 3.76Å; Q347-W385 HydrophobicContact CB-CE3 4.27Å; Q347-W385 HydrophobicContact CB-CG 3.89Å; Q347-W385 HydrophobicContact CB-CZ2 4.36Å; Q347-W385 HydrophobicContact CG-CB 3.88Å; Q347-W385 HydrophobicContact CG-CD2 4.06Å; Q347-W385 HydrophobicContact CG-CG 3.64Å; Q347-S417 PolarHBondContact N-O 3.39Å
348A89.8Confident90.5Very high58 Ų5858.2 Ų58.248%0.47929%0.293SS..Hα-helixtrans-72.7-21.9-179.500000113.3S346S346-A348 VanDerWaalsContact C-N 3.31Å; S346-A348 PolarHBondContact O-N 3.24Å
349Q88.6Confident90.8Very high82 Ų8254 Ų5438%0.38326%0.264SS..Hα-helixtrans-80.8-38.4173.5-75.8163.4-30.100111D344 M345 S346 Q347 E351 K352 E353D344-Q349 PolarHBondContact O-OE1 2.81Å; D344-Q349 VanDerWaalsContact O-OE1 3.04Å; M345-Q349 HydrophobicContact CG-CB 4.31Å; S346-Q349 PolarHBondContact O-N 3.29Å; S346-Q349 WeakPolarHBondContact OG-CG 3.41Å; S346-Q349 PolarHBondContact OG-OE1 3.31Å; Q347-Q349 VanDerWaalsContact C-N 3.29Å; Q347-Q349 PolarHBondContact O-N 3.14Å; Q349-E351 PolarHBondContact O-N 3.04Å; Q349-K352 CarbonylContact O-C 3.58Å; Q349-K352 WeakPolarHBondContact O-CA 3.46Å; Q349-K352 PolarHBondContact O-N 3.22Å; Q349-E353 WeakPolarHBondContact O-CB 3.31Å; Q349-E353 PolarHBondContact O-N 3.22Å
350L89.6Confident91.2Very high7 Ų745.8 Ų45.84%0.03723%0.234CC..Hα-helixtrans-49.8-44.1177.3-172.777.9000112.3I264 M345 S346 Q347 K352 E353 F355 V383 W385I264-L350 HydrophobicContact CD1-CD1 4.29Å; I264-L350 HydrophobicContact CD1-CD2 4.38Å; M345-L350 HydrophobicContact SD-CB 4.26Å; M345-L350 HydrophobicContact SD-CD1 3.45Å; M345-L350 WeakPolarHBondContact SD-CD1 3.46Å; M345-L350 HydrophobicContact SD-CG 4.47Å; S346-L350 PolarHBondContact O-N 2.95Å; Q347-L350 WeakPolarHBondContact O-CB 3.39Å; Q347-L350 PolarHBondContact O-N 3.12Å; L350-K352 VanDerWaalsContact C-N 3.27Å; L350-K352 PolarHBondContact O-N 2.95Å; L350-E353 PolarHBondContact O-N 3.16Å; L350-F355 HydrophobicContact CD1-CE1 3.76Å; L350-F355 HydrophobicContact CD1-CZ 3.58Å; L350-V383 HydrophobicContact CD1-CG1 4.36Å; L350-V383 HydrophobicContact CD2-CB 4.35Å; L350-V383 HydrophobicContact CD2-CG1 4.14Å; L350-W385 HydrophobicContact CD2-CB 4.35Å; L350-W385 HydrophobicContact CD2-CE3 4.17Å
351E86.4Confident91.4Very high133 Ų13345.4 Ų45.462%0.62123%0.232SC*.THydrogen-bonded Turntrans-70.7-20.6179.6-64.1-178.8177.600114.4R102 Q349R102-E351 PolarHBondContact NH1-O 3.32Å; R102-E351 PolarHBondContact NH2-O 3.3Å; Q349-E351 PolarHBondContact O-N 3.04Å
352K87.7Confident91.6Very high159 Ų15945.4 Ų45.469%0.69123%0.227SC*.THydrogen-bonded Turntrans-96.7-25.6-180-66176.5-173.7170.70111.9Q349 L350Q349-K352 CarbonylContact O-C 3.58Å; Q349-K352 WeakPolarHBondContact O-CA 3.46Å; Q349-K352 PolarHBondContact O-N 3.22Å; L350-K352 VanDerWaalsContact C-N 3.27Å; L350-K352 PolarHBondContact O-N 2.95Å
353E85.9Confident91.6Very high56 Ų5645.6 Ų45.626%0.26223%0.229SC..  trans-73.6140.8-177.3-141.182.8-164.800111K296 M345 Q349 L350 F355 A380K296-E353 IonicContact NZ-OE1 3.81Å; K296-E353 PolarHBondContact NZ-OE1 3.32Å; M345-E353 HydrophobicContact CE-CB 4.32Å; M345-E353 HydrophobicContact CE-CG 3.85Å; Q349-E353 WeakPolarHBondContact O-CB 3.31Å; Q349-E353 PolarHBondContact O-N 3.22Å; L350-E353 PolarHBondContact O-N 3.16Å; E353-F355 HydrophobicContact CB-CD1 3.9Å; E353-F355 HydrophobicContact CB-CE1 4.1Å; E353-F355 HydrophobicContact CG-CD1 4.02Å; E353-A380 WeakPolarHBondContact O-CB 3.28Å
354D88.1Confident91.6Very high92 Ų9246.6 Ų46.649%0.49224%0.237SC..  trans-109.995.6175.6-70.3-33.1000109.7
355F91.8Very high91.6Very high9 Ų942.3 Ų42.34%0.03922%0.215CC..  trans-137.8162.4174.267.6-91.9000112L294 K296 F342 M345 L350 E353 I357 A380 V383L294-F355 HydrophobicContact CD1-CB 3.76Å; L294-F355 HydrophobicContact CD1-CD2 3.59Å; L294-F355 HydrophobicContact CD1-CG 3.91Å; K296-F355 HydrophobicContact CB-CB 4.4Å; K296-F355 HydrophobicContact CG-CB 4.45Å; F342-F355 HydrophobicContact CE1-CD2 4.21Å; F342-F355 HydrophobicContact CE1-CE1 4.25Å; F342-F355 AromaticContact CE1-CE2 3.79Å; F342-F355 HydrophobicContact CE1-CE2 3.79Å; F342-F355 AromaticContact CE1-CZ 3.81Å; F342-F355 HydrophobicContact CE1-CZ 3.81Å; F342-F355 HydrophobicContact CZ-CD2 4.35Å; F342-F355 HydrophobicContact CZ-CE2 4.08Å; M345-F355 HydrophobicContact CE-CD1 4.23Å; M345-F355 HydrophobicContact CE-CE1 4.02Å; M345-F355 HydrophobicContact SD-CE1 3.96Å; L350-F355 HydrophobicContact CD1-CE1 3.76Å; L350-F355 HydrophobicContact CD1-CZ 3.58Å; E353-F355 HydrophobicContact CB-CD1 3.9Å; E353-F355 HydrophobicContact CB-CE1 4.1Å; E353-F355 HydrophobicContact CG-CD1 4.02Å; F355-I357 HydrophobicContact CD2-CD1 4.39Å; F355-I357 HydrophobicContact CD2-CG1 3.93Å; F355-I357 HydrophobicContact CE2-CD1 3.79Å; F355-I357 HydrophobicContact CE2-CG1 3.83Å; F355-A380 HydrophobicContact CD1-CB 4.1Å; F355-A380 HydrophobicContact CE1-CB 3.74Å; F355-A380 HydrophobicContact CZ-CB 3.97Å; F355-A380 PolarHBondContact O-N 3.43Å; F355-V383 HydrophobicContact CE2-CG2 4.23Å; F355-V383 HydrophobicContact CZ-CG2 4.31Å
356E94.9Very high91.5Very high15 Ų1546.8 Ų46.87%0.0724%0.235CC..EExtended strand (participates in β ladder)trans-130.5127.1173.2-178173.8174.600109.3Y108 V109 I295 V358 S377 Y378 L379Y108-E356 WeakPolarHBondContact CB-OE2 3.32Å; Y108-E356 PolarHBondContact N-OE1 3.41Å; Y108-E356 PolarHBondContact N-OE2 3.45Å; V109-E356 PolarHBondContact N-OE1 2.93Å; I295-E356 HydrophobicContact CB-CB 4.46Å; I295-E356 PolarHBondContact N-O 2.93Å; I295-E356 PolarHBondContact O-N 2.92Å; E356-V358 HydrophobicContact CG-CG2 4.33Å; E356-S377 WeakPolarHBondContact OE1-CB 3.48Å; E356-S377 PolarHBondContact OE1-OG 3.39Å; E356-Y378 CarbonylContact C-O 3.54Å; E356-Y378 WeakPolarHBondContact CA-O 3.33Å; E356-L379 HydrophobicContact CB-CD2 4.23Å; E356-L379 HydrophobicContact CG-CD2 4.09Å
357I95.4Very high91.3Very high1 Ų149.6 Ų49.61%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-95.9117.2173.2-58.6166.2000107.4L273 K293 L294 I313 F342 F355 V359 S377 Y378 V383L273-I357 HydrophobicContact CD1-CD1 3.53Å; L273-I357 HydrophobicContact CD2-CD1 4.3Å; K293-I357 CarbonylContact O-C 3.53Å; K293-I357 WeakPolarHBondContact O-CA 3.45Å; L294-I357 HydrophobicContact CD1-CG1 4.06Å; I313-I357 HydrophobicContact CD1-CG1 4.34Å; I313-I357 HydrophobicContact CD1-CG2 3.89Å; F342-I357 HydrophobicContact CE1-CD1 4.49Å; F342-I357 HydrophobicContact CE2-CD1 4.32Å; F342-I357 HydrophobicContact CZ-CD1 3.68Å; F342-I357 HydrophobicContact CZ-CG1 3.96Å; F355-I357 HydrophobicContact CD2-CD1 4.39Å; F355-I357 HydrophobicContact CD2-CG1 3.93Å; F355-I357 HydrophobicContact CE2-CD1 3.79Å; F355-I357 HydrophobicContact CE2-CG1 3.83Å; I357-V359 HydrophobicContact CG2-CG1 4.19Å; I357-S377 CarbonylContact O-C 3.56Å; I357-S377 WeakPolarHBondContact O-CA 3.47Å; I357-S377 WeakPolarHBondContact O-CB 3.28Å; I357-Y378 PolarHBondContact N-O 3.35Å; I357-Y378 PolarHBondContact O-N 2.86Å; I357-V383 HydrophobicContact CD1-CG2 4.3Å
358V96.3Very high91.1Very high9 Ų949.3 Ų49.36%0.05526%0.263CS..EExtended strand (participates in β ladder)trans-97.8123.2173.2179.10000108.8V109 A292 K293 I295 E356 I360 S376V109-V358 HydrophobicContact CB-CG2 4.35Å; V109-V358 HydrophobicContact CG2-CG1 3.97Å; V109-V358 HydrophobicContact CG2-CG2 3.8Å; A292-V358 CarbonylContact C-O 3.55Å; A292-V358 WeakPolarHBondContact CA-O 3.49Å; K293-V358 PolarHBondContact N-O 2.99Å; K293-V358 PolarHBondContact O-N 3.46Å; I295-V358 HydrophobicContact CD1-CB 4.37Å; I295-V358 HydrophobicContact CD1-CG2 3.45Å; I295-V358 VanDerWaalsContact CD1-CG2 3.45Å; I295-V358 HydrophobicContact CG1-CG2 4.09Å; E356-V358 HydrophobicContact CG-CG2 4.33Å; V358-I360 HydrophobicContact CG1-CD1 4.47Å; V358-I360 HydrophobicContact CG1-CG1 4.1Å; V358-S376 WeakPolarHBondContact CA-O 3.26Å
359V96.1Very high91.1Very high0 Ų049 Ų490%027%0.265CS..EExtended strand (participates in β ladder)trans-105.4139.1175.6-61.50000109.7F258 F275 A292 I357 R375 S376 Y378F258-V359 HydrophobicContact CD1-CG2 3.78Å; F258-V359 HydrophobicContact CE1-CB 4.47Å; F258-V359 HydrophobicContact CE1-CG2 3.78Å; F258-V359 HydrophobicContact CG-CG2 4.35Å; F258-V359 HydrophobicContact CZ-CG2 4.35Å; F275-V359 HydrophobicContact CD1-CG1 4.13Å; F275-V359 HydrophobicContact CD2-CG1 4.22Å; F275-V359 HydrophobicContact CE1-CG1 3.69Å; F275-V359 HydrophobicContact CE2-CB 4.08Å; F275-V359 HydrophobicContact CE2-CG1 3.78Å; F275-V359 HydrophobicContact CG-CG1 4.38Å; F275-V359 HydrophobicContact CZ-CB 4.12Å; F275-V359 HydrophobicContact CZ-CG1 3.49Å; F275-V359 VanDerWaalsContact CZ-CG1 3.49Å; A292-V359 HydrophobicContact CB-CG1 4.24Å; I357-V359 HydrophobicContact CG2-CG1 4.19Å; V359-R375 WeakPolarHBondContact O-CA 3.32Å; V359-S376 PolarHBondContact N-O 2.92Å; V359-S376 PolarHBondContact O-N 2.97Å; V359-Y378 HydrophobicContact CG1-CD2 4.18Å; V359-Y378 HydrophobicContact CG1-CE2 3.89Å; V359-Y378 HydrophobicContact CG2-CE2 3.85Å
360I95.8Very high91.2Very high21 Ų2147.8 Ų47.811%0.10826%0.26CS..EExtended strand (participates in β ladder)trans-134.7116.5-173.2-51.1177.8000107.6R291 V358 E362 Q373 A374 R375R291-I360 PolarHBondContact N-O 2.9Å; R291-I360 PolarHBondContact O-N 3.35Å; V358-I360 HydrophobicContact CG1-CD1 4.47Å; V358-I360 HydrophobicContact CG1-CG1 4.1Å; I360-E362 HydrophobicContact CG2-CG 4.18Å; I360-Q373 HydrophobicContact CG2-CG 3.53Å; I360-A374 WeakPolarHBondContact CA-O 3.18Å; I360-R375 HydrophobicContact CG1-CG 4.27Å; I360-R375 HydrophobicContact CG2-CG 4.18Å
361L94.8Very high91.3Very high1 Ų152.6 Ų52.61%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-103.4122170.8176.963.7000108.4L256 F258 V277 A288 M290 L324 L326 Q373 A374L256-L361 HydrophobicContact CD1-CD2 3.92Å; L256-L361 HydrophobicContact CD2-CD2 4.03Å; L256-L361 HydrophobicContact CG-CD2 4.38Å; F258-L361 HydrophobicContact CE1-CB 4.37Å; F258-L361 HydrophobicContact CZ-CB 3.92Å; V277-L361 HydrophobicContact CG2-CD2 3.84Å; A288-L361 HydrophobicContact CB-CD1 4.25Å; M290-L361 HydrophobicContact CE-CB 3.94Å; M290-L361 HydrophobicContact CE-CD1 3.93Å; M290-L361 HydrophobicContact CE-CG 4.38Å; M290-L361 HydrophobicContact SD-CB 4.34Å; L324-L361 HydrophobicContact CD1-CD1 4.01Å; L326-L361 HydrophobicContact CD2-CD2 4.03Å; L361-Q373 CarbonylContact O-C 3.54Å; L361-Q373 VanDerWaalsContact O-CA 3.32Å; L361-Q373 WeakPolarHBondContact O-CA 3.5Å; L361-A374 HydrophobicContact CB-CB 4.44Å; L361-A374 PolarHBondContact N-O 3.19Å; L361-A374 PolarHBondContact O-N 3.13Å
362E93.8Very high91.5Very high55 Ų5546.7 Ų46.726%0.25726%0.263SS..EExtended strand (participates in β ladder)trans-112.4147.3173.9-72.3-179.1172.500110.3A288 N289 R291 I360 C372 Q373A288-E362 CarbonylContact C-O 3.46Å; A288-E362 VanDerWaalsContact CA-O 3.23Å; A288-E362 WeakPolarHBondContact CA-O 3.44Å; N289-E362 PolarHBondContact N-O 2.87Å; N289-E362 PolarHBondContact O-N 3.37Å; R291-E362 IonicContact CZ-OE1 3.5Å; R291-E362 IonicContact CZ-OE2 2.9Å; R291-E362 VanDerWaalsContact CZ-OE2 3.23Å; R291-E362 IonicContact NH1-OE1 3.17Å; R291-E362 IonicContact NH1-OE2 3.47Å; R291-E362 PolarHBondContact NH1-OE2 3.16Å; R291-E362 IonicContact NH2-OE1 2.82Å; R291-E362 PolarHBondContact NH2-OE1 3.38Å; R291-E362 IonicContact NH2-OE2 3.98Å; R291-E362 PolarHBondContact NH2-OE2 2.92Å; R291-E362 VanDerWaalsContact NH2-OE2 3.07Å; I360-E362 HydrophobicContact CG2-CG 4.18Å; E362-C372 WeakPolarHBondContact CA-O 3.48Å; E362-Q373 HydrophobicContact CG-CB 4.21Å; E362-Q373 HydrophobicContact CG-CG 3.79Å; E362-Q373 PolarHBondContact OE1-NE2 2.94Å
363G93.3Very high91.7Very high6 Ų642.5 Ų42.56%0.06225%0.246CC..EExtended strand (participates in β ladder)trans176.1170.3172.500000112.1T371 C372G363-T371 CarbonylContact O-C 3.55Å; G363-T371 WeakPolarHBondContact O-CA 3.17Å; G363-C372 PolarHBondContact N-O 2.98Å; G363-C372 PolarHBondContact O-N 3.02Å; G363-C372 PolarHBondContact O-SG 2.73Å
364M92.3Very high92.1Very high78 Ų7840 Ų4038%0.38424%0.235SC..EExtended strand (participates in β ladder)trans-97.1138-178.6-66.6-179.4-67.100111.5I285 V286 E366 M370 T371I285-M364 CarbonylContact C-O 3.52Å; I285-M364 WeakPolarHBondContact CA-O 3.09Å; V286-M364 HydrophobicContact CB-CB 4.32Å; V286-M364 HydrophobicContact CG1-CE 4.17Å; V286-M364 PolarHBondContact N-O 3.49Å; V286-M364 PolarHBondContact O-N 2.8Å; M364-E366 PolarHBondContact O-N 3.39Å; M364-M370 WeakPolarHBondContact CA-O 3.43Å; M364-T371 HydrophobicContact CG-CG2 3.64Å; M364-T371 HydrophobicContact SD-CG2 4.45Å
365V91.3Very high92.4Very high1 Ų139.3 Ų39.31%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-79120.4175.1178.50000109.1P249 R252 A367 T368 G369 M370 C372P249-V365 HydrophobicContact CB-CG2 3.79Å; R252-V365 HydrophobicContact CB-CG2 3.96Å; R252-V365 HydrophobicContact CG-CG1 4.09Å; R252-V365 HydrophobicContact CG-CG2 3.86Å; V365-A367 VanDerWaalsContact C-N 3.28Å; V365-A367 PolarHBondContact O-N 3Å; V365-A367 VanDerWaalsContact O-N 3.14Å; V365-T368 PolarHBondContact O-N 3.18Å; V365-T368 VanDerWaalsContact O-N 3.15Å; V365-G369 PolarHBondContact O-N 3.3Å; V365-M370 PolarHBondContact N-O 3.46Å; V365-C372 HydrophobicContact CG2-CB 4.04Å
366E88.1Confident92.6Very high110 Ų11039 Ų3951%0.51423%0.225SC..THydrogen-bonded Turntrans-49.4-42.9-175.8-177.8178.1-164.300114.1H284 V286 M364H284-E366 IonicContact CD2-OE2 2.9Å; H284-E366 PolarHBondContact N-OE2 3.44Å; H284-E366 WeakPolarHBondContact O-CB 3.39Å; H284-E366 PolarHBondContact O-N 2.95Å; V286-E366 HydrophobicContact CG2-CB 4.32Å; M364-E366 PolarHBondContact O-N 3.39Å
367A86.8Confident92.7Very high80 Ų8038.3 Ų38.366%0.66122%0.221SC*.THydrogen-bonded Turntrans-75.3-29.1-175.600000114.7V365V365-A367 VanDerWaalsContact C-N 3.28Å; V365-A367 PolarHBondContact O-N 3Å; V365-A367 VanDerWaalsContact O-N 3.14Å
368T87.3Confident92.7Very high63 Ų6338.3 Ų38.339%0.38722%0.221SC..THydrogen-bonded Turntrans-111.9-15.1-173.958.50000113.5V365 M370V365-T368 PolarHBondContact O-N 3.18Å; V365-T368 VanDerWaalsContact O-N 3.15Å; T368-M370 HydrophobicContact CG2-CE 4.26Å; T368-M370 PolarHBondContact O-N 2.95Å; T368-M370 VanDerWaalsContact O-N 3.11Å
369G88.5Confident92.5Very high51 Ų5139.9 Ų39.953%0.52623%0.229SC..  trans65.66-173.500000114V365V365-G369 PolarHBondContact O-N 3.3Å
370M90.3Very high92.4Very high57 Ų5740.6 Ų40.628%0.28124%0.235SC..  trans-89143.4179.5-68.2-167.6-74.500111.1S247 P249 M364 V365 T368S247-M370 WeakPolarHBondContact O-CE 3.35Å; S247-M370 WeakPolarHBondContact OG-CE 3.27Å; P249-M370 HydrophobicContact CG-CB 4.16Å; M364-M370 WeakPolarHBondContact CA-O 3.43Å; V365-M370 PolarHBondContact N-O 3.46Å; T368-M370 HydrophobicContact CG2-CE 4.26Å; T368-M370 PolarHBondContact O-N 2.95Å; T368-M370 VanDerWaalsContact O-N 3.11Å
371T91.8Very high92.1Very high107 Ų10746.1 Ų46.166%0.65626%0.26SS*.EExtended strand (participates in β ladder)trans-72.6136.7175.551.80000110.6P249 G363 M364P249-T371 VanDerWaalsContact CG-O 3.32Å; P249-T371 WeakPolarHBondContact CG-O 3.42Å; G363-T371 CarbonylContact O-C 3.55Å; G363-T371 WeakPolarHBondContact O-CA 3.17Å; M364-T371 HydrophobicContact CG-CG2 3.64Å; M364-T371 HydrophobicContact SD-CG2 4.45Å
372C91.7Very high92.1Very high9 Ų947.7 Ų47.76%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-120.7150.1172.873.40000109.2P249 E362 G363 V365P249-C372 HydrophobicContact CB-CB 3.96Å; P249-C372 HydrophobicContact CG-CB 4.06Å; E362-C372 WeakPolarHBondContact CA-O 3.48Å; G363-C372 PolarHBondContact N-O 2.98Å; G363-C372 PolarHBondContact O-N 3.02Å; G363-C372 PolarHBondContact O-SG 2.73Å; V365-C372 HydrophobicContact CG2-CB 4.04Å
373Q92.3Very high92.2Very high71 Ų7145.5 Ų45.533%0.33226%0.258SS..EExtended strand (participates in β ladder)trans-131.4115.8176.8-173.2-173.47200108.7I360 L361 E362 R375I360-Q373 HydrophobicContact CG2-CG 3.53Å; L361-Q373 CarbonylContact O-C 3.54Å; L361-Q373 VanDerWaalsContact O-CA 3.32Å; L361-Q373 WeakPolarHBondContact O-CA 3.5Å; E362-Q373 HydrophobicContact CG-CB 4.21Å; E362-Q373 HydrophobicContact CG-CG 3.79Å; E362-Q373 PolarHBondContact OE1-NE2 2.94Å; Q373-R375 HydrophobicContact CG-CG 4.17Å
374A93.8Very high92.3Very high4 Ų447.2 Ų47.23%0.03327%0.266CS..EExtended strand (participates in β ladder)trans-100138.4171.700000109.3A253 L256 F258 I360 L361A253-A374 HydrophobicContact CB-CB 4.27Å; L256-A374 HydrophobicContact CB-CB 3.84Å; L256-A374 HydrophobicContact CD1-CB 3.83Å; L256-A374 HydrophobicContact CG-CB 4.49Å; F258-A374 HydrophobicContact CE2-CB 3.94Å; F258-A374 HydrophobicContact CZ-CB 4.19Å; I360-A374 WeakPolarHBondContact CA-O 3.18Å; L361-A374 HydrophobicContact CB-CB 4.44Å; L361-A374 PolarHBondContact N-O 3.19Å; L361-A374 PolarHBondContact O-N 3.13Å
375R94.9Very high92.4Very high78 Ų7844.6 Ų44.629%0.29425%0.251SS..EExtended strand (participates in β ladder)trans-132147.2-176.1-63.1175.7-62.6-78.7-12.1109.8V109 G113 V359 I360 Q373V109-R375 HydrophobicContact CG1-CB 4.46Å; G113-R375 WeakPolarHBondContact CA-O 3.19Å; G113-R375 PolarHBondContact N-O 2.71Å; G113-R375 PolarHBondContact O-NE 3.28Å; G113-R375 PolarHBondContact O-NH2 2.82Å; V359-R375 WeakPolarHBondContact O-CA 3.32Å; I360-R375 HydrophobicContact CG1-CG 4.27Å; I360-R375 HydrophobicContact CG2-CG 4.18Å; Q373-R375 HydrophobicContact CG-CG 4.17Å
376S95.8Very high92.6Very high3 Ų344.8 Ų44.82%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-149.8169.4169.1-173.50000109.2K111 F258 V358 V359K111-S376 PolarHBondContact O-OG 3.32Å; F258-S376 VanDerWaalsContact CD2-CB 3.48Å; V358-S376 WeakPolarHBondContact CA-O 3.26Å; V359-S376 PolarHBondContact N-O 2.92Å; V359-S376 PolarHBondContact O-N 2.97Å
377S95.8Very high92.9Very high0 Ų041 Ų410%024%0.236CC..EExtended strand (participates in β ladder)trans-137.5154.4174.171.70000113.5R107 V109 K111 E356 I357R107-S377 PolarHBondContact NH2-O 3.41Å; R107-S377 PolarHBondContact NH2-OG 2.92Å; V109-S377 PolarHBondContact O-OG 3.29Å; K111-S377 VanDerWaalsContact CD-O 3.27Å; K111-S377 WeakPolarHBondContact CD-O 3.43Å; K111-S377 WeakPolarHBondContact CE-O 3.21Å; K111-S377 PolarHBondContact NZ-O 3.43Å; E356-S377 WeakPolarHBondContact OE1-CB 3.48Å; E356-S377 PolarHBondContact OE1-OG 3.39Å; I357-S377 CarbonylContact O-C 3.56Å; I357-S377 WeakPolarHBondContact O-CA 3.47Å; I357-S377 WeakPolarHBondContact O-CB 3.28Å
378Y95.8Very high93.3Very high0 Ų041.9 Ų41.90%022%0.222CC..EExtended strand (participates in β ladder)trans-121.7117.4174.3-57.8-83.6000109.3S259 A262 F275 E356 I357 V359 E382S259-Y378 VanDerWaalsContact O-CE1 3.22Å; S259-Y378 WeakPolarHBondContact O-CE1 3.43Å; S259-Y378 PolarHBondContact O-OH 3.24Å; S259-Y378 PolarHBondContact OG-OH 3.48Å; A262-Y378 HydrophobicContact CB-CD1 3.82Å; A262-Y378 HydrophobicContact CB-CD2 4.36Å; A262-Y378 HydrophobicContact CB-CE1 4.17Å; A262-Y378 HydrophobicContact CB-CG 3.93Å; F275-Y378 HydrophobicContact CB-CE2 3.91Å; F275-Y378 WeakPolarHBondContact CB-OH 3.45Å; F275-Y378 HydrophobicContact CD2-CE2 4.44Å; F275-Y378 HydrophobicContact CG-CE2 4.07Å; E356-Y378 CarbonylContact C-O 3.54Å; E356-Y378 WeakPolarHBondContact CA-O 3.33Å; I357-Y378 PolarHBondContact N-O 3.35Å; I357-Y378 PolarHBondContact O-N 2.86Å; V359-Y378 HydrophobicContact CG1-CD2 4.18Å; V359-Y378 HydrophobicContact CG1-CE2 3.89Å; V359-Y378 HydrophobicContact CG2-CE2 3.85Å; Y378-E382 VanDerWaalsContact CA-OE2 3.3Å; Y378-E382 WeakPolarHBondContact CA-OE2 3.25Å
379L93.7Very high93.7Very high43 Ų4339.9 Ų39.923%0.22521%0.208CC..EExtended strand (participates in β ladder)trans-76160168.8-61.1172.6000109.9R107 E356 E381 E382 V383R107-L379 HydrophobicContact CB-CD2 4.12Å; E356-L379 HydrophobicContact CB-CD2 4.23Å; E356-L379 HydrophobicContact CG-CD2 4.09Å; L379-E381 PolarHBondContact O-N 2.87Å; L379-E382 HydrophobicContact CB-CG 4.16Å; L379-E382 PolarHBondContact N-OE2 3.4Å; L379-E382 WeakPolarHBondContact O-CA 3.35Å; L379-E382 WeakPolarHBondContact O-CB 3.41Å; L379-E382 PolarHBondContact O-N 3.23Å; L379-V383 PolarHBondContact O-N 2.88Å
380A92.1Very high93.9Very high15 Ų1538.7 Ų38.712%0.12419%0.191CC..G310 helixtrans-51.3-39.9175.200000113.2E353 F355 E382 V383E353-A380 WeakPolarHBondContact O-CB 3.28Å; F355-A380 HydrophobicContact CD1-CB 4.1Å; F355-A380 HydrophobicContact CE1-CB 3.74Å; F355-A380 HydrophobicContact CZ-CB 3.97Å; F355-A380 PolarHBondContact O-N 3.43Å; A380-E382 PolarHBondContact O-N 2.93Å; A380-V383 PolarHBondContact O-N 2.86Å
381E91.3Very high93.9Very high137 Ų13740.9 Ų40.964%0.6421%0.21SC*.G310 helixtrans-68-19.9176.2-60179.7177.800113.8L379L379-E381 PolarHBondContact O-N 2.87Å
382E94.1Very high93.8Very high34 Ų3436.4 Ų36.416%0.15918%0.182CC..G310 helixtrans-93.90.5179.1-59.7170.4158.400111.9R107 K111 H261 A262 Y378 L379 A380R107-E382 IonicContact CZ-OE1 3.77Å; R107-E382 IonicContact NH1-OE1 3.14Å; R107-E382 PolarHBondContact NH1-OE1 3.25Å; R107-E382 VanDerWaalsContact NH1-OE1 3.14Å; R107-E382 IonicContact NH2-OE1 2.66Å; R107-E382 PolarHBondContact NH2-OE1 3.45Å; R107-E382 IonicContact NH2-OE2 2.68Å; R107-E382 PolarHBondContact NH2-OE2 3.35Å; K111-E382 WeakPolarHBondContact CE-OE1 3.43Å; K111-E382 WeakPolarHBondContact CE-OE2 3.27Å; K111-E382 IonicContact NZ-OE1 3.81Å; K111-E382 IonicContact NZ-OE2 2.79Å; K111-E382 PolarHBondContact NZ-OE2 3.1Å; H261-E382 VanDerWaalsContact CA-O 3.28Å; H261-E382 WeakPolarHBondContact CA-O 3.32Å; H261-E382 WeakPolarHBondContact CB-O 3.37Å; A262-E382 PolarHBondContact N-O 2.97Å; Y378-E382 VanDerWaalsContact CA-OE2 3.3Å; Y378-E382 WeakPolarHBondContact CA-OE2 3.25Å; L379-E382 HydrophobicContact CB-CG 4.16Å; L379-E382 PolarHBondContact N-OE2 3.4Å; L379-E382 WeakPolarHBondContact O-CA 3.35Å; L379-E382 WeakPolarHBondContact O-CB 3.41Å; L379-E382 PolarHBondContact O-N 3.23Å; A380-E382 PolarHBondContact O-N 2.93Å
383V95.2Very high93.6Very high8 Ų841.1 Ų41.15%0.04820%0.204CC..EExtended strand (participates in β ladder)trans-99.2114.3174.4-175.40000109A262 I264 L273 L350 F355 I357 L379 A380A262-V383 HydrophobicContact CB-CG2 4.27Å; A262-V383 CarbonylContact O-C 3.53Å; A262-V383 WeakPolarHBondContact O-CA 3.47Å; I264-V383 HydrophobicContact CD1-CG1 3.65Å; I264-V383 HydrophobicContact CG1-CG1 3.85Å; L273-V383 HydrophobicContact CD1-CG1 4.48Å; L350-V383 HydrophobicContact CD1-CG1 4.36Å; L350-V383 HydrophobicContact CD2-CB 4.35Å; L350-V383 HydrophobicContact CD2-CG1 4.14Å; F355-V383 HydrophobicContact CE2-CG2 4.23Å; F355-V383 HydrophobicContact CZ-CG2 4.31Å; I357-V383 HydrophobicContact CD1-CG2 4.3Å; L379-V383 PolarHBondContact O-N 2.88Å; A380-V383 PolarHBondContact O-N 2.86Å
384L95.3Very high93.2Very high43 Ų4343.2 Ų43.223%0.22522%0.217CC..EExtended strand (participates in β ladder)trans-96.4120.3-177.1-56.7175.4000110.8H261 A262 V263 I264 H387H261-L384 HydrophobicContact CB-CD1 3.81Å; H261-L384 HydrophobicContact CB-CG 4.1Å; A262-L384 PolarHBondContact O-N 3.17Å; V263-L384 CarbonylContact C-O 3.53Å; V263-L384 VanDerWaalsContact CA-O 3.29Å; V263-L384 WeakPolarHBondContact CA-O 3.34Å; V263-L384 HydrophobicContact CG1-CB 4.35Å; I264-L384 PolarHBondContact N-O 3.05Å; L384-H387 HydrophobicContact CB-CB 4.06Å
385W95.1Very high92.9Very high22 Ų2249.5 Ų49.58%0.08325%0.249CC..EExtended strand (participates in β ladder)trans-82.7133176-168.8-76.7000111.5I264 L271 Q347 L350 H387 P416 C418I264-W385 HydrophobicContact CB-CE3 4.23Å; I264-W385 HydrophobicContact CD1-CE3 3.86Å; I264-W385 HydrophobicContact CD1-CZ3 4.11Å; I264-W385 HydrophobicContact CG2-CD2 4.25Å; I264-W385 HydrophobicContact CG2-CE3 3.97Å; I264-W385 HydrophobicContact CG2-CH2 4.49Å; I264-W385 HydrophobicContact CG2-CZ3 4.11Å; L271-W385 HydrophobicContact CD1-CZ2 4.33Å; L271-W385 HydrophobicContact CD2-CH2 3.52Å; L271-W385 HydrophobicContact CD2-CZ2 3.96Å; L271-W385 HydrophobicContact CD2-CZ3 4.2Å; Q347-W385 HydrophobicContact CB-CD2 3.76Å; Q347-W385 HydrophobicContact CB-CE3 4.27Å; Q347-W385 HydrophobicContact CB-CG 3.89Å; Q347-W385 HydrophobicContact CB-CZ2 4.36Å; Q347-W385 HydrophobicContact CG-CB 3.88Å; Q347-W385 HydrophobicContact CG-CD2 4.06Å; Q347-W385 HydrophobicContact CG-CG 3.64Å; L350-W385 HydrophobicContact CD2-CB 4.35Å; L350-W385 HydrophobicContact CD2-CE3 4.17Å; W385-H387 PolarHBondContact O-CD2 3.5Å; W385-P416 WeakPolarHBondContact CZ2-O 3.35Å; W385-P416 PolarHBondContact NE1-O 3.08Å; W385-C418 WeakPolarHBondContact CZ2-O 3.4Å
386G94.6Very high92.4Very high5 Ų547.2 Ų47.25%0.05225%0.247CC..THydrogen-bonded Turntrans7527.5178.900000114.4I264 E412 V413 T415I264-G386 WeakPolarHBondContact O-CA 3.38Å; I264-G386 PolarHBondContact O-N 3.22Å; G386-E412 CarbonylContact O-C 3.54Å; G386-E412 WeakPolarHBondContact O-CA 3.45Å; G386-V413 PolarHBondContact O-N 3.34Å; G386-V413 VanDerWaalsContact O-O 3.13Å; G386-T415 WeakPolarHBondContact CA-OG1 3.45Å
387H95.7Very high91.8Very high30 Ų3056.3 Ų56.314%0.13929%0.29CS..EExtended strand (participates in β ladder)trans-112.7151.8174.3-75-109.1000111.3V263 S265 L384 W385 F411 E412V263-H387 HydrophobicContact CB-CB 3.97Å; V263-H387 WeakPolarHBondContact CB-O 3.43Å; V263-H387 HydrophobicContact CG1-CB 3.7Å; V263-H387 WeakPolarHBondContact CG2-O 3.46Å; S265-H387 WeakPolarHBondContact CB-O 3.23Å; L384-H387 HydrophobicContact CB-CB 4.06Å; W385-H387 PolarHBondContact O-CD2 3.5Å; H387-F411 CarbonylContact C-O 3.56Å; H387-F411 VanDerWaalsContact CA-O 3.27Å; H387-F411 WeakPolarHBondContact CA-O 3.46Å; H387-E412 WeakPolarHBondContact CE1-CG 3.43Å; H387-E412 IonicContact CE1-OE1 3.72Å; H387-E412 WeakPolarHBondContact NE2-CG 3.42Å; H387-E412 IonicContact NE2-OE1 3.78Å
388R95.3Very high91.2Very high100 Ų10060.4 Ų60.438%0.37733%0.332SS..EExtended strand (participates in β ladder)trans-124154.1167.5-70.5-168.6-177.7164.2-2110.2S265 L266 T410 F411 V413S265-R388 WeakPolarHBondContact OG-CG 3.44Å; S265-R388 PolarHBondContact OG-NE 3.17Å; L266-R388 PolarHBondContact O-NH2 2.9Å; R388-T410 CarbonylContact O-C 3.6Å; R388-T410 WeakPolarHBondContact O-CA 3.43Å; R388-T410 WeakPolarHBondContact O-CB 3.1Å; R388-F411 HydrophobicContact CB-CE1 3.96Å; R388-F411 HydrophobicContact CB-CE2 4.05Å; R388-F411 HydrophobicContact CB-CZ 3.68Å; R388-F411 PolarHBondContact N-O 3.06Å; R388-F411 WeakPolarHBondContact O-CD1 3.23Å; R388-F411 PolarHBondContact O-N 2.83Å; R388-V413 HydrophobicContact CB-CG2 4.02Å; R388-V413 HydrophobicContact CG-CB 4.41Å; R388-V413 HydrophobicContact CG-CG2 3.75Å
389F95.8Very high90.7Very high21 Ų2166.2 Ų66.29%0.09236%0.357CS..EExtended strand (participates in β ladder)trans-75137.1174.9-72.3-72.4000111.1H261 V263 M274 R276 V331 T410 F411H261-F389 WeakPolarHBondContact O-CZ 3.36Å; V263-F389 HydrophobicContact CG1-CE1 4.49Å; V263-F389 HydrophobicContact CG1-CE2 4.44Å; V263-F389 HydrophobicContact CG1-CZ 4.23Å; V263-F389 HydrophobicContact CG2-CD2 3.8Å; V263-F389 HydrophobicContact CG2-CE2 3.56Å; V263-F389 HydrophobicContact CG2-CZ 4.16Å; M274-F389 HydrophobicContact CB-CE2 4.15Å; R276-F389 HydrophobicContact CB-CE1 4.27Å; R276-F389 HydrophobicContact CB-CE2 4.42Å; R276-F389 HydrophobicContact CB-CZ 4.22Å; R276-F389 VanDerWaalsContact NH2-CB 3.32Å; V331-F389 HydrophobicContact CG1-CD2 3.93Å; V331-F389 HydrophobicContact CG1-CE2 4.21Å; V331-F389 HydrophobicContact CG2-CD2 4.1Å; F389-T410 HydrophobicContact CD1-CG2 3.64Å; F389-T410 HydrophobicContact CE1-CG2 3.76Å; F389-T410 HydrophobicContact CG-CG2 4.43Å; F389-F411 WeakPolarHBondContact O-CE1 3.42Å
390S92.9Very high90.5Very high25 Ų2571.4 Ų71.418%0.17538%0.378CS..PPolyproline II helixtrans-60.6136.6174.5-167.60000110.7R276 H409R276-S390 PolarHBondContact NH2-O 2.77Å; S390-H409 PolarHBondContact N-O 3.46Å
391P90.5Very high90.3Very high103 Ų10374.9 Ų74.967%0.66940%0.395SS*.PPolyproline II helixtrans-59.1144.6168.627.6-34000109.5
392M88.4Confident90.2Very high14 Ų1470 Ų707%0.06937%0.373CS..  trans-135.8-6-175.270.1-173.9-67.900114.5P329 I402 D403 Y404 A406 F407P329-M392 HydrophobicContact CB-CE 4.21Å; P329-M392 HydrophobicContact CB-SD 3.75Å; P329-M392 HydrophobicContact CG-CE 3.76Å; P329-M392 HydrophobicContact CG-SD 3.98Å; M392-I402 HydrophobicContact CE-CG2 3.41Å; M392-I402 VanDerWaalsContact CE-CG2 3.41Å; M392-I402 HydrophobicContact CG-CG2 4.43Å; M392-D403 WeakPolarHBondContact CE-O 3.44Å; M392-D403 PolarHBondContact O-N 2.72Å; M392-D403 VanDerWaalsContact O-N 3.12Å; M392-Y404 HydrophobicContact CE-CD1 4.34Å; M392-A406 HydrophobicContact CB-CB 4.36Å; M392-F407 HydrophobicContact CE-CB 3.97Å; M392-F407 HydrophobicContact CE-CD2 3.87Å; M392-F407 HydrophobicContact CE-CG 4.41Å; M392-F407 HydrophobicContact SD-CD2 4.08Å
393M87Confident90Very high107 Ų10772.7 Ų72.753%0.52739%0.388SS..EExtended strand (participates in β ladder)trans-94.1123.9176.6-65.9-174-67.800108.6I402M393-I402 HydrophobicContact CG-CG1 4.44Å
394L85.1Confident89.7Confident115 Ų11576.1 Ų76.160%0.60240%0.401SS*.EExtended strand (participates in β ladder)trans-114.2137.3172.2-64.7171.9000108.2A396 D401L394-A396 PolarHBondContact O-N 3.37Å; L394-D401 PolarHBondContact N-O 2.94Å; L394-D401 PolarHBondContact O-N 3.07Å
395L87.4Confident89.5Confident136 Ų13677.3 Ų77.371%0.71242%0.423SS*.EExtended strand (participates in β ladder)trans-85.3108.3173.2-175.864.7000108.2F400L395-F400 HydrophobicContact CD1-CD1 4.09Å; L395-F400 HydrophobicContact CD1-CE1 3.83Å; L395-F400 HydrophobicContact CD1-CZ 4.27Å
396A82.9Confident89.3Confident31 Ų3177 Ų7726%0.25643%0.425SS..EExtended strand (participates in β ladder)trans-94.4169.9167.800000109.7L394 G398 F399L394-A396 PolarHBondContact O-N 3.37Å; A396-G398 PolarHBondContact O-N 3.04Å; A396-F399 HydrophobicContact CB-CD1 4.36Å; A396-F399 HydrophobicContact CB-CD2 3.93Å; A396-F399 HydrophobicContact CB-CE1 3.97Å; A396-F399 HydrophobicContact CB-CE2 3.49Å; A396-F399 VanDerWaalsContact CB-CE2 3.49Å; A396-F399 HydrophobicContact CB-CG 4.35Å; A396-F399 HydrophobicContact CB-CZ 3.51Å; A396-F399 PolarHBondContact N-O 2.93Å; A396-F399 PolarHBondContact O-N 3.34Å
397E83.1Confident89.2Confident194 Ų19477 Ų7791%0.90742%0.424SS*.THydrogen-bonded Turntrans-59.595.9-178-70.4-172.7172.400111.8F399E397-F399 WeakPolarHBondContact O-CD1 3.21Å
398G84.8Confident89.2Confident86 Ų8678.6 Ų78.689%0.88743%0.431SS*.THydrogen-bonded Turntrans88.3-2.3175.200000116.4A396A396-G398 PolarHBondContact O-N 3.04Å
399F85.3Confident89.2Confident121 Ų12179.1 Ų79.153%0.53144%0.438SS..EExtended strand (participates in β ladder)trans-143.4152.8178.559.7-85.5000112.7A396 E397 D401A396-F399 HydrophobicContact CB-CD1 4.36Å; A396-F399 HydrophobicContact CB-CD2 3.93Å; A396-F399 HydrophobicContact CB-CE1 3.97Å; A396-F399 HydrophobicContact CB-CE2 3.49Å; A396-F399 VanDerWaalsContact CB-CE2 3.49Å; A396-F399 HydrophobicContact CB-CG 4.35Å; A396-F399 HydrophobicContact CB-CZ 3.51Å; A396-F399 PolarHBondContact N-O 2.93Å; A396-F399 PolarHBondContact O-N 3.34Å; E397-F399 WeakPolarHBondContact O-CD1 3.21Å; F399-D401 HydrophobicContact CD2-CB 4.27Å; F399-D401 HydrophobicContact CE2-CB 4.07Å
400F87.9Confident89.2Confident152 Ų15279.2 Ų79.267%0.66744%0.44SS*.EExtended strand (participates in β ladder)trans-86.5113.9171.2-66.5-79.2000108.8L395L395-F400 HydrophobicContact CD1-CD1 4.09Å; L395-F400 HydrophobicContact CD1-CE1 3.83Å; L395-F400 HydrophobicContact CD1-CZ 4.27Å
401D87.8Confident89.3Confident89 Ų8982.1 Ų82.148%0.47645%0.45SS..EExtended strand (participates in β ladder)trans-92.8138173.7-163.59.2000109.9L394 F399L394-D401 PolarHBondContact N-O 2.94Å; L394-D401 PolarHBondContact O-N 3.07Å; F399-D401 HydrophobicContact CD2-CB 4.27Å; F399-D401 HydrophobicContact CE2-CB 4.07Å
402I90.3Very high89.5Confident35 Ų3584.7 Ų84.718%0.17945%0.453CS..EExtended strand (participates in β ladder)trans-122.9107.5-171.4-58.6179.6000108.5P329 M392 M393 Y404P329-I402 HydrophobicContact CG-CG2 4.14Å; M392-I402 HydrophobicContact CE-CG2 3.41Å; M392-I402 VanDerWaalsContact CE-CG2 3.41Å; M392-I402 HydrophobicContact CG-CG2 4.43Å; M393-I402 HydrophobicContact CG-CG1 4.44Å; I402-Y404 HydrophobicContact CB-CE2 4.2Å; I402-Y404 HydrophobicContact CG2-CD2 4.11Å; I402-Y404 HydrophobicContact CG2-CE2 3.8Å; I402-Y404 WeakPolarHBondContact O-CD2 3.17Å; I402-Y404 PolarHBondContact O-N 3.25Å
403D90.1Very high89.8Confident89 Ų8985.9 Ų85.948%0.47646%0.461SS..  trans-82.198.5176.1-179.313.2000111.2M392 G405 A406M392-D403 WeakPolarHBondContact CE-O 3.44Å; M392-D403 PolarHBondContact O-N 2.72Å; M392-D403 VanDerWaalsContact O-N 3.12Å; D403-G405 PolarHBondContact O-N 3.47Å; D403-G405 WeakPolarHBondContact OD1-CA 3.21Å; D403-G405 PolarHBondContact OD1-N 3.27Å; D403-A406 PolarHBondContact O-N 2.79Å
404Y88.9Confident89.9Confident81 Ų8184.9 Ų84.932%0.31848%0.478SS..G310 helixtrans-67.8-12.7175.4-73.5-91.2000113.7D279 L280 P329 M392 I402 A406 F407D279-Y404 PolarHBondContact O-OH 3.46Å; L280-Y404 HydrophobicContact CD2-CD1 3.67Å; L280-Y404 HydrophobicContact CD2-CE1 3.61Å; L280-Y404 HydrophobicContact CD2-CG 4.29Å; P329-Y404 HydrophobicContact CG-CE1 3.92Å; M392-Y404 HydrophobicContact CE-CD1 4.34Å; I402-Y404 HydrophobicContact CB-CE2 4.2Å; I402-Y404 HydrophobicContact CG2-CD2 4.11Å; I402-Y404 HydrophobicContact CG2-CE2 3.8Å; I402-Y404 WeakPolarHBondContact O-CD2 3.17Å; I402-Y404 PolarHBondContact O-N 3.25Å; Y404-A406 PolarHBondContact O-N 2.92Å; Y404-F407 HydrophobicContact CD1-CB 4.42Å; Y404-F407 HydrophobicContact CD1-CD2 4.27Å; Y404-F407 HydrophobicContact CD1-CG 4.49Å; Y404-F407 WeakPolarHBondContact O-CB 3.38Å; Y404-F407 PolarHBondContact O-N 3.49Å; Y404-F407 VanDerWaalsContact O-N 3.1Å
405G90.5Very high90.1Very high67 Ų6780.7 Ų80.769%0.69146%0.457SS*.G310 helixtrans-60-37.1170.500000112.1D403 F407D403-G405 PolarHBondContact O-N 3.47Å; D403-G405 WeakPolarHBondContact OD1-CA 3.21Å; D403-G405 PolarHBondContact OD1-N 3.27Å; G405-F407 VanDerWaalsContact C-N 3.34Å
406A90.9Very high90.3Very high16 Ų1676.4 Ų76.413%0.13244%0.438CS..G310 helixtrans-85.50.917600000113.9R276 M392 D403 Y404 H408 H409R276-A406 PolarHBondContact NH1-O 3.49Å; M392-A406 HydrophobicContact CB-CB 4.36Å; D403-A406 PolarHBondContact O-N 2.79Å; Y404-A406 PolarHBondContact O-N 2.92Å; A406-H408 VanDerWaalsContact C-N 3.29Å; A406-H408 PolarHBondContact O-N 3.38Å; A406-H409 PolarHBondContact O-N 2.84Å; A406-H409 VanDerWaalsContact O-N 3.08Å
407F93.5Very high90.6Very high4 Ų478.5 Ų78.52%0.01845%0.45CS..THydrogen-bonded Turntrans-58.9-39.1-173.7178.1-96.3000112.7V257 R276 P329 M392 Y404 G405V257-F407 HydrophobicContact CB-CE1 4.25Å; V257-F407 HydrophobicContact CB-CZ 4.34Å; V257-F407 HydrophobicContact CG2-CE1 3.91Å; V257-F407 HydrophobicContact CG2-CE2 4.16Å; V257-F407 HydrophobicContact CG2-CZ 3.7Å; R276-F407 HydrophobicContact CB-CE2 4.44Å; R276-F407 HydrophobicContact CB-CZ 4.37Å; R276-F407 VanDerWaalsContact CD-CD2 3.49Å; R276-F407 VanDerWaalsContact CD-CE2 3.48Å; R276-F407 HydrophobicContact CG-CD2 4.14Å; R276-F407 HydrophobicContact CG-CE2 3.58Å; R276-F407 HydrophobicContact CG-CZ 3.97Å; R276-F407 PolarHBondContact NH1-O 3.13Å; P329-F407 HydrophobicContact CB-CD2 4.07Å; P329-F407 HydrophobicContact CB-CE2 3.9Å; P329-F407 HydrophobicContact CG-CD2 4.13Å; P329-F407 HydrophobicContact CG-CE2 4.19Å; M392-F407 HydrophobicContact CE-CB 3.97Å; M392-F407 HydrophobicContact CE-CD2 3.87Å; M392-F407 HydrophobicContact CE-CG 4.41Å; M392-F407 HydrophobicContact SD-CD2 4.08Å; Y404-F407 HydrophobicContact CD1-CB 4.42Å; Y404-F407 HydrophobicContact CD1-CD2 4.27Å; Y404-F407 HydrophobicContact CD1-CG 4.49Å; Y404-F407 WeakPolarHBondContact O-CB 3.38Å; Y404-F407 PolarHBondContact O-N 3.49Å; Y404-F407 VanDerWaalsContact O-N 3.1Å; G405-F407 VanDerWaalsContact C-N 3.34Å
408H94.5Very high90.9Very high65 Ų6570.9 Ų70.930%0.30142%0.418SS..THydrogen-bonded Turntrans-95.2-4.8178.9-58.1-60.9000114F258 K260 A406F258-H408 PolarHBondContact O-CE1 2.93Å; K260-H408 HydrophobicContact CD-CB 4.31Å; K260-H408 HydrophobicContact CG-CB 4.45Å; K260-H408 PolarHBondContact N-ND1 3.47Å; A406-H408 VanDerWaalsContact C-N 3.29Å; A406-H408 PolarHBondContact O-N 3.38Å
409H95Very high91.3Very high110 Ų11067 Ų6751%0.50938%0.378SS..  trans-76.8133.3-172.6-170.9-105.2000111.2S390 A406S390-H409 PolarHBondContact N-O 3.46Å; A406-H409 PolarHBondContact O-N 2.84Å; A406-H409 VanDerWaalsContact O-N 3.08Å
410T95.9Very high91.5Very high24 Ų2461.5 Ų61.515%0.14735%0.354CS..EExtended strand (participates in β ladder)trans-127.7149.5178.157.80000109.6V263 R388 F389V263-T410 HydrophobicContact CG1-CG2 3.61Å; R388-T410 CarbonylContact O-C 3.6Å; R388-T410 WeakPolarHBondContact O-CA 3.43Å; R388-T410 WeakPolarHBondContact O-CB 3.1Å; F389-T410 HydrophobicContact CD1-CG2 3.64Å; F389-T410 HydrophobicContact CE1-CG2 3.76Å; F389-T410 HydrophobicContact CG-CG2 4.43Å
411F95.1Very high91.7Very high85 Ų8560.1 Ų60.137%0.37334%0.344SS..EExtended strand (participates in β ladder)trans-127.5149.7177.164.8-89000110.2H387 R388 F389 V413H387-F411 CarbonylContact C-O 3.56Å; H387-F411 VanDerWaalsContact CA-O 3.27Å; H387-F411 WeakPolarHBondContact CA-O 3.46Å; R388-F411 HydrophobicContact CB-CE1 3.96Å; R388-F411 HydrophobicContact CB-CE2 4.05Å; R388-F411 HydrophobicContact CB-CZ 3.68Å; R388-F411 PolarHBondContact N-O 3.06Å; R388-F411 WeakPolarHBondContact O-CD1 3.23Å; R388-F411 PolarHBondContact O-N 2.83Å; F389-F411 WeakPolarHBondContact O-CE1 3.42Å; F411-V413 HydrophobicContact CD2-CG2 3.7Å; F411-V413 HydrophobicContact CE2-CG2 3.38Å; F411-V413 HydrophobicContact CZ-CG2 4.35Å
412E94.9Very high91.8Very high157 Ų15761.1 Ų61.173%0.73435%0.346SS*.EExtended strand (participates in β ladder)trans-76.5142.4-179.4-71.7177.7-166.100111.6G386 H387G386-E412 CarbonylContact O-C 3.54Å; G386-E412 WeakPolarHBondContact O-CA 3.45Å; H387-E412 WeakPolarHBondContact CE1-CG 3.43Å; H387-E412 IonicContact CE1-OE1 3.72Å; H387-E412 WeakPolarHBondContact NE2-CG 3.42Å; H387-E412 IonicContact NE2-OE1 3.78Å
413V94.2Very high91.8Very high39 Ų3961 Ų6124%0.23635%0.346CS..  trans-135.1142.2178.2-178.60000108.6G386 R388 F411 T415G386-V413 PolarHBondContact O-N 3.34Å; G386-V413 VanDerWaalsContact O-O 3.13Å; R388-V413 HydrophobicContact CB-CG2 4.02Å; R388-V413 HydrophobicContact CG-CB 4.41Å; R388-V413 HydrophobicContact CG-CG2 3.75Å; F411-V413 HydrophobicContact CD2-CG2 3.7Å; F411-V413 HydrophobicContact CE2-CG2 3.38Å; F411-V413 HydrophobicContact CZ-CG2 4.35Å; V413-T415 PolarHBondContact O-N 3.44Å
414G89.9Confident91.7Very high86 Ų8658.6 Ų58.689%0.88734%0.338SS*.  trans-62.798.3175.400000111.4
415T89.9Confident91.7Very high27 Ų2758.7 Ų58.717%0.16634%0.344CS..  trans-118.5146.6176.153.80000110.6L266 G386 V413L266-T415 HydrophobicContact CB-CG2 4.48Å; G386-T415 WeakPolarHBondContact CA-OG1 3.45Å; V413-T415 PolarHBondContact O-N 3.44Å
416P90.3Very high91.6Very high47 Ų4758.2 Ų58.231%0.30533%0.333SS..  trans-61.2145175.527-33.8000110.9L266 W385 L423L266-P416 HydrophobicContact CD1-CG 4.35Å; W385-P416 WeakPolarHBondContact CZ2-O 3.35Å; W385-P416 PolarHBondContact NE1-O 3.08Å; P416-L423 HydrophobicContact CB-CD1 4.48Å; P416-L423 HydrophobicContact CG-CD1 3.55Å
417S89.6Confident91.4Very high74 Ų7459.7 Ų59.752%0.51735%0.346SS..  trans-90-6.1178.354.60000113.5Q347Q347-S417 PolarHBondContact N-O 3.39Å
418C89.7Confident91Very high35 Ų3562.2 Ų62.224%0.23637%0.367CS..SBendtrans-71.8163.6177.762.10000112.2W385 E422W385-C418 WeakPolarHBondContact CZ2-O 3.4Å; C418-E422 HydrophobicContact CB-CB 3.99Å; C418-E422 VanDerWaalsContact CB-OE2 3.28Å; C418-E422 WeakPolarHBondContact CB-OE2 3.28Å
419S92.1Very high90.7Very high5 Ų567.9 Ų67.94%0.03539%0.386CS..  trans-71.6158.7175.164.30000111.8M345 R421 E422 L423M345-S419 WeakPolarHBondContact O-CA 3.35Å; M345-S419 WeakPolarHBondContact O-CB 3.45Å; S419-R421 PolarHBondContact O-N 3.49Å; S419-E422 PolarHBondContact O-N 3.48Å; S419-E422 VanDerWaalsContact O-N 3.1Å; S419-E422 WeakPolarHBondContact OG-CG 3.49Å; S419-E422 PolarHBondContact OG-N 3.35Å; S419-L423 WeakPolarHBondContact O-CB 3.42Å; S419-L423 PolarHBondContact O-N 3.42Å
420A90.6Very high90.1Very high4 Ų468.2 Ų68.23%0.03339%0.391CS..Hα-helixtrans-57.5-36.7176.400000111.8L271 I336 W343 L423 A424L271-A420 HydrophobicContact CB-CB 4.23Å; L271-A420 HydrophobicContact CD2-CB 4.13Å; I336-A420 HydrophobicContact CB-CB 4.19Å; I336-A420 HydrophobicContact CG2-CB 3.55Å; W343-A420 HydrophobicContact CD2-CB 4.44Å; W343-A420 HydrophobicContact CE3-CB 3.61Å; W343-A420 HydrophobicContact CZ3-CB 3.85Å; W343-A420 PolarHBondContact O-N 2.96Å; A420-L423 PolarHBondContact O-N 3.03Å; A420-A424 WeakPolarHBondContact O-CB 3.33Å; A420-A424 PolarHBondContact O-N 3.23Å
421R91.7Very high89.2Confident123 Ų12372.1 Ų72.146%0.46441%0.411SS..Hα-helixtrans-60.8-49172.4-177.6176.8173-175.1-0.6113.4W343 D344 S419 L423 A424 L425W343-R421 HydrophobicContact CD2-CB 4.14Å; W343-R421 HydrophobicContact CG-CB 4.29Å; W343-R421 HydrophobicContact CZ2-CB 4.14Å; W343-R421 HydrophobicContact CZ2-CG 4.38Å; W343-R421 PolarHBondContact O-N 3.4Å; D344-R421 WeakPolarHBondContact OD1-CD 3.36Å; D344-R421 IonicContact OD1-CZ 3.58Å; D344-R421 IonicContact OD1-NE 3.78Å; D344-R421 IonicContact OD1-NH1 3.29Å; D344-R421 PolarHBondContact OD1-NH1 3Å; S419-R421 PolarHBondContact O-N 3.49Å; R421-L423 VanDerWaalsContact C-N 3.27Å; R421-L423 PolarHBondContact O-N 2.85Å; R421-A424 PolarHBondContact O-N 3.43Å; R421-L425 HydrophobicContact CG-CD1 4.1Å; R421-L425 HydrophobicContact CG-CG 4.47Å; R421-L425 WeakPolarHBondContact O-CB 3.39Å; R421-L425 VanDerWaalsContact O-CG 3.27Å; R421-L425 WeakPolarHBondContact O-CG 3.43Å; R421-L425 PolarHBondContact O-N 2.95Å
422E90.9Very high88.3Confident111 Ų11170.9 Ų70.952%0.51942%0.416SS..Hα-helixtrans-63.8-38179.3-75.9173-17900111.3C418 S419 L425 A426C418-E422 HydrophobicContact CB-CB 3.99Å; C418-E422 VanDerWaalsContact CB-OE2 3.28Å; C418-E422 WeakPolarHBondContact CB-OE2 3.28Å; S419-E422 PolarHBondContact O-N 3.48Å; S419-E422 VanDerWaalsContact O-N 3.1Å; S419-E422 WeakPolarHBondContact OG-CG 3.49Å; S419-E422 PolarHBondContact OG-N 3.35Å; E422-L425 PolarHBondContact O-N 3.49Å; E422-A426 VanDerWaalsContact O-CB 3.32Å; E422-A426 WeakPolarHBondContact O-CB 3.43Å; E422-A426 PolarHBondContact O-N 3.45Å
423L89.9Confident87Confident33 Ų3368.3 Ų68.317%0.17340%0.404CS..Hα-helixtrans-62.6-48.7175.2-164.2158.8000111.1L266 P416 S419 A420 R421 L425 A426 A427L266-L423 HydrophobicContact CD1-CD1 3.63Å; P416-L423 HydrophobicContact CB-CD1 4.48Å; P416-L423 HydrophobicContact CG-CD1 3.55Å; S419-L423 WeakPolarHBondContact O-CB 3.42Å; S419-L423 PolarHBondContact O-N 3.42Å; A420-L423 PolarHBondContact O-N 3.03Å; R421-L423 VanDerWaalsContact C-N 3.27Å; R421-L423 PolarHBondContact O-N 2.85Å; L423-L425 VanDerWaalsContact C-N 3.35Å; L423-L425 PolarHBondContact O-N 3.43Å; L423-A426 PolarHBondContact O-N 2.78Å; L423-A427 PolarHBondContact O-N 3.26Å
424A88.4Confident85.6Confident38 Ų3870.6 Ų70.631%0.31442%0.415SS..Hα-helixtrans-63.7-38.8177.100000112.5W343 A420 R421 A427 A428W343-A424 HydrophobicContact CH2-CB 3.42Å; W343-A424 VanDerWaalsContact CH2-CB 3.42Å; W343-A424 HydrophobicContact CZ2-CB 3.91Å; W343-A424 HydrophobicContact CZ3-CB 4.41Å; A420-A424 WeakPolarHBondContact O-CB 3.33Å; A420-A424 PolarHBondContact O-N 3.23Å; R421-A424 PolarHBondContact O-N 3.43Å; A424-A427 PolarHBondContact O-N 2.92Å; A424-A428 WeakPolarHBondContact O-CB 3.3Å; A424-A428 PolarHBondContact O-N 2.86Å
425L89.1Confident84.1Confident83 Ų8375.1 Ų75.144%0.43541%0.406SS..Hα-helixtrans-66.4-37.6174.2-72.8175.1000112.3R421 E422 L423 R429R421-L425 HydrophobicContact CG-CD1 4.1Å; R421-L425 HydrophobicContact CG-CG 4.47Å; R421-L425 WeakPolarHBondContact O-CB 3.39Å; R421-L425 VanDerWaalsContact O-CG 3.27Å; R421-L425 WeakPolarHBondContact O-CG 3.43Å; R421-L425 PolarHBondContact O-N 2.95Å; E422-L425 PolarHBondContact O-N 3.49Å; L423-L425 VanDerWaalsContact C-N 3.35Å; L423-L425 PolarHBondContact O-N 3.43Å; L425-R429 VanDerWaalsContact O-CG 3.28Å; L425-R429 WeakPolarHBondContact O-CG 3.4Å; L425-R429 PolarHBondContact O-N 3.1Å
426A87.1Confident82.6Confident56 Ų5680.6 Ų80.646%0.46342%0.424SS..Hα-helixtrans-66.7-43175.700000111.5E422 L423 R429 L430E422-A426 VanDerWaalsContact O-CB 3.32Å; E422-A426 WeakPolarHBondContact O-CB 3.43Å; E422-A426 PolarHBondContact O-N 3.45Å; L423-A426 PolarHBondContact O-N 2.78Å; A426-R429 PolarHBondContact O-N 2.97Å; A426-L430 PolarHBondContact O-N 3.36Å
427A86.5Confident81.1Confident48 Ų4880 Ų8040%0.39742%0.42SS..Hα-helixtrans-60.5-48.8174.100000111.4L423 A424 R429 L430 D431L423-A427 PolarHBondContact O-N 3.26Å; A424-A427 PolarHBondContact O-N 2.92Å; A427-R429 VanDerWaalsContact C-N 3.27Å; A427-R429 PolarHBondContact O-N 3.42Å; A427-L430 WeakPolarHBondContact O-CB 3.37Å; A427-L430 PolarHBondContact O-N 3.4Å; A427-D431 PolarHBondContact O-N 3.35Å
428A86.1Confident79.6Confident57 Ų5781.1 Ų81.147%0.47142%0.42SS..Hα-helixtrans-60.5-34.7177.600000113.1A424 A432A424-A428 WeakPolarHBondContact O-CB 3.3Å; A424-A428 PolarHBondContact O-N 2.86Å; A428-A432 WeakPolarHBondContact O-CB 3.5Å; A428-A432 PolarHBondContact O-N 3.37Å
429R87.1Confident77.9Confident184 Ų18481.7 Ų81.769%0.69442%0.424SS*.Hα-helixtrans-68-38173.4-76.6173-176.6169.22.8112.2L425 A426 A427 H433L425-R429 VanDerWaalsContact O-CG 3.28Å; L425-R429 WeakPolarHBondContact O-CG 3.4Å; L425-R429 PolarHBondContact O-N 3.1Å; A426-R429 PolarHBondContact O-N 2.97Å; A427-R429 VanDerWaalsContact C-N 3.27Å; A427-R429 PolarHBondContact O-N 3.42Å; R429-H433 WeakPolarHBondContact O-CB 3.38Å; R429-H433 PolarHBondContact O-N 2.83Å
430L82.4Confident76.1Confident117 Ų11784 Ų8461%0.61344%0.44SS*.Hα-helixtrans-65.5-44.4177.9-153.891.9000110.9A426 A427 H433 L434A426-L430 PolarHBondContact O-N 3.36Å; A427-L430 WeakPolarHBondContact O-CB 3.37Å; A427-L430 PolarHBondContact O-N 3.4Å; L430-H433 WeakPolarHBondContact O-CA 3.3Å; L430-H433 WeakPolarHBondContact O-CB 3.2Å; L430-H433 PolarHBondContact O-N 3.35Å; L430-H433 VanDerWaalsContact O-N 3.08Å; L430-L434 PolarHBondContact O-N 3.15Å
431D78.6Confident74.2Confident105 Ų10593.1 Ų93.156%0.56147%0.474SS*.Hα-helixtrans-65-44.1177.6-73.4-13.1000112A427 H433 L434 Y435A427-D431 PolarHBondContact O-N 3.35Å; D431-H433 PolarHBondContact O-N 3.03Å; D431-L434 PolarHBondContact O-N 2.64Å; D431-Y435 PolarHBondContact O-N 3.05Å
432A75.5Confident72.4Confident59 Ų5993.4 Ų93.449%0.48848%0.484SS..Hα-helixtrans-60.2-33.5172.600000111.5A428 Y435 W436A428-A432 WeakPolarHBondContact O-CB 3.5Å; A428-A432 PolarHBondContact O-N 3.37Å; A432-Y435 PolarHBondContact O-N 3.09Å; A432-W436 PolarHBondContact O-N 3.39Å
433H68Low70.6Confident103 Ų10394.2 Ų94.248%0.47749%0.492SS..Hα-helixtrans-70.7-37.4178.9-160.6-64.2000113.6R429 L430 D431 W436 S437R429-H433 WeakPolarHBondContact O-CB 3.38Å; R429-H433 PolarHBondContact O-N 2.83Å; L430-H433 WeakPolarHBondContact O-CA 3.3Å; L430-H433 WeakPolarHBondContact O-CB 3.2Å; L430-H433 PolarHBondContact O-N 3.35Å; L430-H433 VanDerWaalsContact O-N 3.08Å; D431-H433 PolarHBondContact O-N 3.03Å; H433-W436 AromaticContact CD2-CE2 3.7Å; H433-W436 AromaticContact CD2-CZ2 3.51Å; H433-W436 AromaticContact CD2-NE1 3.42Å; H433-W436 PolarHBondContact CD2-NE1 3.4Å; H433-W436 AromaticContact CE1-CE2 3.54Å; H433-W436 AromaticContact CE1-CH2 3.5Å; H433-W436 AromaticContact CE1-CZ2 2.91Å; H433-W436 WeakPolarHBondContact CE1-CZ2 3.3Å; H433-W436 AromaticContact CG-CE2 3.53Å; H433-W436 AromaticContact CG-CZ2 3.69Å; H433-W436 AromaticContact CG-NE1 3.18Å; H433-W436 AromaticContact ND1-CE2 3.39Å; H433-W436 AromaticContact ND1-CZ2 3.31Å; H433-W436 VanDerWaalsContact ND1-CZ2 3.31Å; H433-W436 WeakPolarHBondContact ND1-CZ2 3.28Å; H433-W436 AromaticContact ND1-NE1 3.56Å; H433-W436 AromaticContact NE2-CE2 3.74Å; H433-W436 AromaticContact NE2-CH2 3.93Å; H433-W436 AromaticContact NE2-CZ2 3.06Å; H433-W436 WeakPolarHBondContact NE2-CZ2 3.37Å; H433-W436 AromaticContact NE2-NE1 3.96Å; H433-W436 PolarHBondContact O-NE1 2.79Å; H433-S437 WeakPolarHBondContact O-CB 2.96Å; H433-S437 PolarHBondContact O-N 2.99Å; H433-S437 PolarHBondContact O-OG 3Å
434L64.4Low68.9Low88 Ų8899.6 Ų99.646%0.46152%0.516SS..Hα-helixtrans-65-43.2172.5-74158.3000110.8L430 D431 W436 S437 I438L430-L434 PolarHBondContact O-N 3.15Å; D431-L434 PolarHBondContact O-N 2.64Å; L434-W436 PolarHBondContact O-N 3.13Å; L434-S437 WeakPolarHBondContact CA-OG 3.5Å; L434-S437 PolarHBondContact O-N 3.17Å; L434-S437 PolarHBondContact O-OG 3.42Å; L434-I438 VanDerWaalsContact O-CG1 3.26Å; L434-I438 WeakPolarHBondContact O-CG1 3.32Å; L434-I438 PolarHBondContact O-N 3.03Å
435Y58.8Low67.1Low180 Ų180106.5 Ų106.571%0.70654%0.542SS*.Hα-helixtrans-60.3-46.2179.8-165.7-94.3000113D431 A432 S437 I438 S439D431-Y435 PolarHBondContact O-N 3.05Å; A432-Y435 PolarHBondContact O-N 3.09Å; Y435-S437 VanDerWaalsContact C-N 3.34Å; Y435-S437 PolarHBondContact O-N 2.98Å; Y435-I438 PolarHBondContact O-N 3.18Å; Y435-S439 PolarHBondContact O-N 3.38Å
436W58.7Low65.1Low143 Ų143107.3 Ų107.354%0.54255%0.552SS.*Hα-helixtrans-69.8-31.9177.670.7-113.5000113.1A432 H433 L434 S440A432-W436 PolarHBondContact O-N 3.39Å; H433-W436 AromaticContact CD2-CE2 3.7Å; H433-W436 AromaticContact CD2-CZ2 3.51Å; H433-W436 AromaticContact CD2-NE1 3.42Å; H433-W436 PolarHBondContact CD2-NE1 3.4Å; H433-W436 AromaticContact CE1-CE2 3.54Å; H433-W436 AromaticContact CE1-CH2 3.5Å; H433-W436 AromaticContact CE1-CZ2 2.91Å; H433-W436 WeakPolarHBondContact CE1-CZ2 3.3Å; H433-W436 AromaticContact CG-CE2 3.53Å; H433-W436 AromaticContact CG-CZ2 3.69Å; H433-W436 AromaticContact CG-NE1 3.18Å; H433-W436 AromaticContact ND1-CE2 3.39Å; H433-W436 AromaticContact ND1-CZ2 3.31Å; H433-W436 VanDerWaalsContact ND1-CZ2 3.31Å; H433-W436 WeakPolarHBondContact ND1-CZ2 3.28Å; H433-W436 AromaticContact ND1-NE1 3.56Å; H433-W436 AromaticContact NE2-CE2 3.74Å; H433-W436 AromaticContact NE2-CH2 3.93Å; H433-W436 AromaticContact NE2-CZ2 3.06Å; H433-W436 WeakPolarHBondContact NE2-CZ2 3.37Å; H433-W436 AromaticContact NE2-NE1 3.96Å; H433-W436 PolarHBondContact O-NE1 2.79Å; L434-W436 PolarHBondContact O-N 3.13Å; W436-S440 WeakPolarHBondContact O-CB 3.39Å; W436-S440 PolarHBondContact O-N 3.14Å
437S58.4Low63.1Low33 Ų33110.7 Ų110.723%0.23157%0.567CS.*Hα-helixtrans-70.2-34.3177.370.90000112.4H433 L434 Y435 S440 R441H433-S437 WeakPolarHBondContact O-CB 2.96Å; H433-S437 PolarHBondContact O-N 2.99Å; H433-S437 PolarHBondContact O-OG 3Å; L434-S437 WeakPolarHBondContact CA-OG 3.5Å; L434-S437 PolarHBondContact O-N 3.17Å; L434-S437 PolarHBondContact O-OG 3.42Å; Y435-S437 VanDerWaalsContact C-N 3.34Å; Y435-S437 PolarHBondContact O-N 2.98Å; S437-S440 PolarHBondContact O-OG 2.06Å; S437-R441 PolarHBondContact O-N 3.15Å
438I57.8Low61.1Low99 Ų99117.3 Ų117.351%0.50860%0.595SS.*Hα-helixtrans-72.5-44176-65.8163.7000110.6L434 Y435 S440 R441 L442L434-I438 VanDerWaalsContact O-CG1 3.26Å; L434-I438 WeakPolarHBondContact O-CG1 3.32Å; L434-I438 PolarHBondContact O-N 3.03Å; Y435-I438 PolarHBondContact O-N 3.18Å; I438-S440 VanDerWaalsContact C-N 3.31Å; I438-S440 PolarHBondContact O-N 2.69Å; I438-R441 PolarHBondContact O-N 3.05Å; I438-L442 HydrophobicContact CG2-CD1 4.02Å; I438-L442 PolarHBondContact O-N 2.66Å
439S53.8Low59.1Low47 Ų47119.4 Ų119.433%0.32961%0.612SS.*Hα-helixtrans-59.8-40.7172.7-75.90000112Y435 R441 L442 D443Y435-S439 PolarHBondContact O-N 3.38Å; S439-R441 VanDerWaalsContact C-N 3.29Å; S439-R441 PolarHBondContact O-N 3.12Å; S439-L442 PolarHBondContact O-N 2.98Å; S439-D443 PolarHBondContact O-N 2.91Å
440S54.4Low56.8Low52 Ų52119.9 Ų119.936%0.36462%0.622SS.*Hα-helixtrans-64.8-30.5177.975.20000113.9W436 S437 I438 E444W436-S440 WeakPolarHBondContact O-CB 3.39Å; W436-S440 PolarHBondContact O-N 3.14Å; S437-S440 PolarHBondContact O-OG 2.06Å; I438-S440 VanDerWaalsContact C-N 3.31Å; I438-S440 PolarHBondContact O-N 2.69Å; S440-E444 PolarHBondContact O-N 2.98Å
441R51.1Low54.7Low196 Ų196123.8 Ų123.874%0.7464%0.637SS**Hα-helixtrans-80.6-30.2177.3-82-172170.6177.3-1.1113.5S437 I438 S439 D443 E444S437-R441 PolarHBondContact O-N 3.15Å; I438-R441 PolarHBondContact O-N 3.05Å; S439-R441 VanDerWaalsContact C-N 3.29Å; S439-R441 PolarHBondContact O-N 3.12Å; R441-D443 VanDerWaalsContact C-N 3.32Å; R441-E444 PolarHBondContact O-N 3.31Å
442L52.6Low52.8Low130 Ų130123.2 Ų123.268%0.68165%0.647SS**Hα-helixtrans-71.9-30.1171.5-80.1158.3000111.5I438 S439I438-L442 HydrophobicContact CG2-CD1 4.02Å; I438-L442 PolarHBondContact O-N 2.66Å; S439-L442 PolarHBondContact O-N 2.98Å
443D54.4Low50.8Low127 Ų127127.4 Ų127.468%0.67967%0.667SS**THydrogen-bonded Turntrans-80.7-11.2174-70.4-27.1000113.6S439 R441 P446S439-D443 PolarHBondContact O-N 2.91Å; R441-D443 VanDerWaalsContact C-N 3.32Å; D443-P446 VanDerWaalsContact O-CD 3.27Å; D443-P446 WeakPolarHBondContact O-CD 3.16Å
444E52.7Low49.1Very low147 Ų147132.7 Ų132.769%0.68769%0.688SS**THydrogen-bonded Turntrans-87.9-5.4176.8-97.6-173.3147.400114.6S440 R441S440-E444 PolarHBondContact O-N 2.98Å; R441-E444 PolarHBondContact O-N 3.31Å
445E51.9Low47.5Very low182 Ų182137.5 Ų137.585%0.8571%0.708SS**  trans-94.468.7167.5-84.7-127.2135.500112.5
446P47.3Very low47Very low100 Ų100133.8 Ų133.865%0.64971%0.706SS**SBendtrans-147.263.2145.339.1-22.8000112.9D443D443-P446 VanDerWaalsContact O-CD 3.27Å; D443-P446 WeakPolarHBondContact O-CD 3.16Å
447T44.6Very low45.5Very low128 Ų128134.5 Ų134.579%0.78572%0.721SS**SBendtrans-149.121.217239.60000117.5
448L44.3Very low44Very low187 Ų187136.8 Ų136.898%0.97975%0.75SS**SBendtrans-118.418.8170.4-81.9171000115
449A43.2Very low42.5Very low100 Ų100135.8 Ų135.883%0.82676%0.764SS**SBendtrans-112.1-3.8179.300000115.6
450E40.3Very low41.3Very low194 Ų194139.5 Ų139.591%0.90779%0.79SS**SBendtrans-113.926.1-169.9-98-169.8161.500116.2
451Q38.6Very low40Very low200 Ų200141 Ų14194%0.93581%0.805SS**SBendtrans-127.920.2177.1-96.4-172.6-4.800116.9
452A38.2Very low38.9Very low93 Ų93140.2 Ų140.277%0.76981%0.81SS**  trans-129.859.9178.700000114.1
453T33Very low37.7Very low146 Ų146138.8 Ų138.890%0.89681%0.811SS**  trans-14989.5158.227.10000112.1
454K32.7Very low36.5Very low215 Ų215142.7 Ų142.794%0.93582%0.822SS**  trans-127.3116.5148.6-99.9-176.3176.9178.10107.6
455Q30.9Very low35.4Very low188 Ų188140.8 Ų140.888%0.87983%0.831SS**  trans-54.6174170.4-94.7-178.5-8.400113.6
456P48.1Very low34.3Very low102 Ų102135.9 Ų135.966%0.66283%0.829SS**  cis-143.4-175.621.734.6-10.6000117.8
457D26.7Very low33.6Very low158 Ų158140.2 Ų140.285%0.84584%0.841SS**  trans103.5112.4150.3-67.8-17.2000121.3
458G27.2Very low33Very low82 Ų82139.7 Ų139.785%0.84584%0.84SS**  104.8113.5121.300000119.3
459G27.4Very low32.3Very low78 Ų78138 Ų13880%0.80483%0.83SS**  trans104.194.8136.400000119.6
460S27.1Very low31.4Very low124 Ų124143 Ų14387%0.86783%0.833SS**  trans32.6131.8130.2-160.30000122.7
461A28.3Very low30.8Very low84 Ų84138.7 Ų138.769%0.69482%0.821SS**  trans102.9116.1135.900000120.9
462H27.8Very low30.4Very low179 Ų179136.1 Ų136.183%0.82982%0.818SS**  trans70.4120.6134.2-95.2-58.2000123
463S28Very low30Very low101 Ų101135 Ų13571%0.70682%0.816SS**  96.2113.9127.973.30000120
464K29.4Very low29.7Very low209 Ų209137.2 Ų137.291%0.90982%0.816SS**  trans27.6118.5138.7-72-177.3173.1-178.60118.4
465A28.9Very low29.4Very low106 Ų106135.9 Ų135.988%0.87682%0.816SS**  149.3137.9108.100000111.9
466G28.6Very low29.4Very low79 Ų79133.3 Ų133.381%0.81481%0.813SS**  trans103.988.8155.500000116.2
467E31.9Very low28.4Very low191 Ų191135.5 Ų135.589%0.89382%0.819SS**  trans-68.2154.3155.4-101.8-176.5159.600111.2
468P33.1Very low28.4Very low118 Ų118136.2 Ų136.277%0.76682%0.821SS**  trans-8715217836-31.3000111.7
469I28.9Very low28.4Very low151 Ų151140.5 Ų140.577%0.77482%0.819SS**  trans-124.3116.2163-65.2176.4000108T471I469-T471 HydrophobicContact CG2-CG2 4.12Å
470F24.6Very low28.4Very low204 Ų204145.5 Ų145.590%0.89582%0.822SS**  trans-133.4114.3142.9-156.3-93.2000108.6
471T28.3Very low28.4Very low105 Ų105148.5 Ų148.564%0.64482%0.822SS**  trans-78.6139.7176.338.30000112.3I469I469-T471 HydrophobicContact CG2-CG2 4.12Å
472V29.5Very low28.3Very low145 Ų145150 Ų15088%0.87983%0.827SS**  -167.4128124.8178.10000103.8
473G29.3Very low28.3Very low71 Ų71145.4 Ų145.473%0.73282%0.82SS**  cis137.595.124.500000105.7
474E27.6Very low28.2Very low191 Ų191149.1 Ų149.189%0.89383%0.831SS**PPolyproline II helixtrans-74.4147.5-175.7-172.5174.8176.100112
475M26.8Very low28.1Very low187 Ų187142.3 Ų142.392%0.92182%0.82SS**PPolyproline II helixtrans-92.2120.4174.7-149.9160.6-171.100107.4
476T29.6Very low28.1Very low134 Ų134145.9 Ų145.982%0.82282%0.819SS**PPolyproline II helixtrans-76.3134.3-17445.50000113.6
477D26.5Very low28.1Very low149 Ų149148 Ų14880%0.79781%0.811SS**PPolyproline II helixtrans-64.3151155.7-78.8-40.2000112.4
478I28.6Very low27.9Very low172 Ų172146 Ų14688%0.88281%0.806SS**  trans-138.2120.9138.9-62.7-174.1000109
479Q25.3Very low27.6Very low173 Ų173143.6 Ų143.681%0.80880%0.803SS**  trans-102.3145.1171.5-172.1168.6-400109.9
480E28Very low27.5Very low182 Ų182141.8 Ų141.885%0.8580%0.804SS**  trans-55.4151.9169.1-104.9175.7136.900114.3
481Q26.7Very low27.6Very low187 Ų187138.2 Ų138.287%0.87480%0.798SS**  trans-164143.6142.6-117.6174.721.800116.3
482S27.5Very low27.5Very low115 Ų115138.9 Ų138.980%0.80480%0.803SS**  trans86.3134.6143.1-171.80000119
483A26.8Very low27.6Very low83 Ų83137.7 Ų137.769%0.68680%0.796SS**  cis-175.5155.3-5.500000111.7
484L26.5Very low27.5Very low179 Ų179141.4 Ų141.494%0.93780%0.799SS**  trans172.2110.5132.5-128.383000107.3
485G26.6Very low27.7Very low66 Ų66140.3 Ų140.368%0.6879%0.794SS**  111.89780.100000110.1
486E28.8Very low27.9Very low182 Ų182136 Ų13685%0.8578%0.783SS**  64.3139.6117.2-71.7-162.2126.700116.8
487L30Very low28.2Very low124 Ų124138.3 Ų138.365%0.64978%0.784SS**  cis-171.4150-4.4-14587.2000107.4
488N27.3Very low28.6Very low148 Ų148136.5 Ų136.579%0.79178%0.778SS**  trans65.4128.7148.4-68.9-5.1000124.1
489G26.5Very low29.1Very low68 Ų68137.1 Ų137.170%0.70178%0.777SS**  128.698.4113.800000120.1
490S26Very low29.8Very low112 Ų112137.4 Ų137.478%0.78381%0.81SS**  trans62.7121.8136.372.20000123.9
491V27.7Very low29.9Very low129 Ų129135.2 Ų135.278%0.78281%0.808SS**  69.6137.6120.8-1790000121.1
492T27.1Very low30.1Very low119 Ų119132.5 Ų132.573%0.7380%0.804SS**  trans86.2111.2158.3410000121.8
493T31.4Very low30.2Very low120 Ų120133.4 Ų133.474%0.73680%0.804SS**  20.9124.8127.2510000119.2
494D27.3Very low30.4Very low150 Ų150136.4 Ų136.480%0.80281%0.811SS**  -176171102.1-118.1-25.6000113.8
495Q31.6Very low30.6Very low167 Ų167133.8 Ų133.878%0.7880%0.803SS**  trans-67.1174.5-164.5-65170.7-22.100120.4
496S30.6Very low30.9Very low98 Ų98138.3 Ų138.369%0.68581%0.811SS**  trans92.4115.7145.370.30000117.8
497E36.5Very low31.1Very low181 Ų181135.1 Ų135.185%0.84681%0.809SS**  71.9134.1103-72.7-174.9147.500112.1
498T34.9Very low31.2Very low111 Ų111136 Ų13668%0.68182%0.821SS**  cis-166.9159.332.925.20000110.8
499E38.9Very low31.5Very low185 Ų185135 Ų13586%0.86482%0.823SS**  trans54117.9141.1-65.5178.5149.800122.8
500A39.2Very low31.9Very low180 Ų180141.1 Ų141.1100%1.48883%0.834SS**  -157.80111.800000110.5

Retrieved 500 of 500 residues in 804.1 ms (Link to these results)