A0A093JJY4_STRCA Loading...

Suppressor of cytokine signaling 4

AlphaFold DB , UniProt , Accession A0A093JJY4, Species STRCA (Struthio camelus australis), Gene n/a, Length 436 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.6Very low35.2Very low242 Ų242152.8 Ų152.8100%1.19280%0.802SS**  0151.10-76.3174.1164.200107.9
2A38.3Very low35.2Very low93 Ų93148.3 Ų148.377%0.76980%0.803SS**  trans56.5103.7171.200000117.8
3E39.7Very low35Very low168 Ų168149.6 Ų149.679%0.78581%0.809SS**  14.2155.5105.9-70.1-179.4101.100119.9
4N35.1Very low35.1Very low121 Ų121148.1 Ų148.165%0.64781%0.807SS**  cis-149.7-177.816.5-136.6-46.3000114.2
5K44.4Very low34.9Very low181 Ų181153.4 Ų153.479%0.78781%0.81SS**  trans-40.2150.3168.5-68.4167.1174172.80115.2
6D37.5Very low34.9Very low158 Ų158151.5 Ų151.585%0.84581%0.81SS**  -158.7-178.799.4-129.9-38.7000114.1
7S35Very low34.7Very low102 Ų102154.6 Ų154.671%0.71381%0.814SS**  trans-132.7169.4-157.663.50000116.4
8N28.6Very low34.4Very low135 Ų135152.8 Ų152.872%0.72282%0.816SS**  trans97.798.7148-148.520000120.7
9I34.2Very low34.2Very low142 Ų142151.2 Ų151.273%0.72882%0.818SS**  trans38123.6140.8-53168.5000120.2
10K31.5Very low34Very low184 Ų184155.8 Ų155.880%0.882%0.823SS**  -173.6158.2123.4-105.4160.5-165.2173.90116.1
11N28.7Very low33.7Very low155 Ų155153.9 Ų153.983%0.82982%0.823SS**  trans70.8110.8160.6-56-16.1000119.7
12A35.4Very low33.4Very low99 Ų99154.1 Ų154.182%0.81881%0.81SS**  trans-138.6102.2152.100000108.3
13D32.1Very low33Very low165 Ų165155.5 Ų155.588%0.88281%0.814SS**  trans-92.8109.7-171.4-158.7-20.2000110.2
14V36.3Very low32.7Very low129 Ų129151.7 Ų151.778%0.78281%0.812SS**  trans-134106.6-178.3-173.50000112
15R32.6Very low32.6Very low227 Ų227152.6 Ų152.686%0.85782%0.816SS**PPolyproline II helixtrans-57.1137.3176.9-172.7177.4-173.6155.7-0.3113.1
16P35.3Very low32Very low123 Ų123154.5 Ų154.580%0.79982%0.819SS**PPolyproline II helixtrans-71.4146.7-177.628.8-35.5000113.1
17K30.3Very low32.1Very low204 Ų204155.8 Ų155.889%0.88782%0.817SS**PPolyproline II helixtrans-88.4137.2169.7-70.3176.9178.9173.30110.2
18S29.4Very low31.9Very low122 Ų122157.4 Ų157.485%0.85382%0.818SS**PPolyproline II helixtrans-72126.4177.3540000112.3
19S30.6Very low32Very low122 Ų122154.1 Ų154.185%0.85382%0.815SS**PPolyproline II helixtrans-88.9152.9159.457.70000110.2
20R29.9Very low31.9Very low244 Ų244157.6 Ų157.692%0.92182%0.821SS**  trans-107.1130.4-159.4-174.2174.9179.3172-0.8111.8
21S28Very low32.2Very low115 Ų115155.1 Ų155.180%0.80482%0.821SS**  trans-53.6136.8-176.4-38.90000113.6
22R29.5Very low32.4Very low247 Ų247158.6 Ų158.693%0.93282%0.822SS**  trans-131.993.5160.9-79.4-169.1169-167.4-2.9109.6A24R22-A24 PolarHBondContact O-N 3.41Å
23S28.7Very low32.4Very low123 Ų123159.2 Ų159.286%0.8682%0.821SS**  trans-72114.8172.347.50000110.4
24A33.2Very low32.3Very low88 Ų88154.8 Ų154.873%0.72781%0.814SS**  trans-97.190.1168.600000109.1R22 R26R22-A24 PolarHBondContact O-N 3.41Å; A24-R26 PolarHBondContact O-N 3.26Å
25D33.5Very low32.2Very low139 Ų139158.3 Ų158.374%0.74382%0.819SS**  trans-67112.1170.8-174.3-21.1000109K27D25-K27 WeakPolarHBondContact OD1-CB 3.27Å; D25-K27 PolarHBondContact OD1-N 3.12Å; D25-K27 VanDerWaalsContact OD1-N 3.09Å
26R32.2Very low32.3Very low222 Ų222157.2 Ų157.284%0.83882%0.82SS**  trans-122.767.3168.9-84.1-160.5167.4105.4-1.9111.2A24 D28A24-R26 PolarHBondContact O-N 3.26Å; R26-D28 PolarHBondContact O-N 2.68Å; R26-D28 VanDerWaalsContact O-N 3.08Å
27K38.4Very low32.3Very low184 Ų184159.7 Ų159.780%0.883%0.826SS**  trans-49.197.6154.8176.6-162.7179.3-176.40112.6D25D25-K27 WeakPolarHBondContact OD1-CB 3.27Å; D25-K27 PolarHBondContact OD1-N 3.12Å; D25-K27 VanDerWaalsContact OD1-N 3.09Å
28D32.5Very low32.2Very low137 Ų137155.5 Ų155.573%0.73382%0.822SS**  trans-132115.5158.1-91.4-53000109.8R26R26-D28 PolarHBondContact O-N 2.68Å; R26-D28 VanDerWaalsContact O-N 3.08Å
29G28.9Very low32Very low65 Ų65161.8 Ų161.867%0.6783%0.827SS**  trans-120.298.1-17500000111.7V31G29-V31 PolarHBondContact O-N 3.09Å
30Y33.4Very low32Very low215 Ų215161.1 Ų161.184%0.84382%0.823SS**  trans-75.591.8176-84.5-90.3000111.4W32Y30-W32 PolarHBondContact O-N 3.3Å
31V36.4Very low31.9Very low132 Ų132159.6 Ų159.680%0.882%0.823SS**  trans-82106.2174.8-179.80000110G29 S33G29-V31 PolarHBondContact O-N 3.09Å; V31-S33 PolarHBondContact O-N 3.21Å
32W33.3Very low31.9Very low228 Ų228162.4 Ų162.486%0.86482%0.821SS**  trans-62.9126.7170.5-91.941.2000111.1Y30Y30-W32 PolarHBondContact O-N 3.3Å
33S35.4Very low31.7Very low112 Ų112156 Ų15678%0.78381%0.813SS**  trans-95.4102.5-172.464.70000112.6V31 K35V31-S33 PolarHBondContact O-N 3.21Å; S33-K35 PolarHBondContact O-N 3.08Å; S33-K35 VanDerWaalsContact O-N 3.12Å
34G31.4Very low31.7Very low72 Ų72157.5 Ų157.574%0.74281%0.807SS**  trans-64109.6173.500000112.1K36G34-K36 PolarHBondContact O-N 3.41Å
35K32.5Very low31.3Very low204 Ų204162.6 Ų162.689%0.88782%0.815SS**  trans-57.3123.2176.5-70.4171.4179.4169.30110.5S33S33-K35 PolarHBondContact O-N 3.08Å; S33-K35 VanDerWaalsContact O-N 3.12Å
36K34.6Very low30.9Very low204 Ų204161.6 Ų161.689%0.88782%0.818SS**  trans-99.4119.3170.2-67.7-169.1178.9-173.30110.2G34G34-K36 PolarHBondContact O-N 3.41Å
37L35.9Very low30.7Very low175 Ų175156.2 Ų156.292%0.91681%0.814SS**  trans-107.2144.1162.4-71.3173.9000109.6
38S28.3Very low30.1Very low116 Ų116155.5 Ų155.581%0.81182%0.819SS**PPolyproline II helixtrans-97.6133.1-170.754.10000112.1
39W25.9Very low30.1Very low254 Ų254153.2 Ų153.296%0.96282%0.819SS**PPolyproline II helixtrans-85.4132.6170.2-151.7-4.5000110.8
40S29.3Very low30.2Very low108 Ų108159.3 Ų159.376%0.75583%0.83SS**PPolyproline II helixtrans-70.6137172-60.40000111.2
41K28.9Very low30Very low211 Ų211153.3 Ų153.392%0.91783%0.825SS**PPolyproline II helixtrans-74.6129.7170.2-68.8-173.8175.5-171.90110.3
42K27.1Very low29.8Very low175 Ų175151.1 Ų151.176%0.76182%0.821SS**  trans-109.8136.4148.7-161.9-169.6-175.2-156.80106.9E44K42-E44 VanDerWaalsContact CE-OE1 3.24Å; K42-E44 WeakPolarHBondContact CE-OE1 3.4Å; K42-E44 IonicContact NZ-OE1 3.4Å; K42-E44 PolarHBondContact NZ-OE1 3.19Å
43S26.8Very low29.6Very low111 Ų111145.8 Ų145.878%0.77682%0.819SS**  trans-112.2126.1179.752.90000109.9
44E27.6Very low29.4Very low155 Ų155145.7 Ų145.772%0.72482%0.824SS**  trans-128.1143.4168.3-71.2175.7-178.900108.3K42K42-E44 VanDerWaalsContact CE-OE1 3.24Å; K42-E44 WeakPolarHBondContact CE-OE1 3.4Å; K42-E44 IonicContact NZ-OE1 3.4Å; K42-E44 PolarHBondContact NZ-OE1 3.19Å
45H25.2Very low29.4Very low195 Ų195147.5 Ų147.590%0.90383%0.832SS**  trans-89.9149.9-170.7-125.5-83.7000110.5
46C24.8Very low29.3Very low119 Ų119141.5 Ų141.580%0.80483%0.829SS**  trans-120.2162.7160.8-160.10000108.8
47S28Very low29.4Very low109 Ų109143.4 Ų143.476%0.76283%0.83SS**  trans-143.7147.3-170.950.30000112.2
48D26.9Very low29Very low169 Ų169141 Ų14190%0.90483%0.828SS**  trans-80.3150.7-169.8-62.6-75.4000116.4
49A31.6Very low29.1Very low88 Ų88139.1 Ų139.173%0.72783%0.827SS**  trans-166.4128.9144.800000106.6
50E29.9Very low29.4Very low193 Ų193134.1 Ų134.190%0.90283%0.825SS**  54.2130.368.6-69.7-151.9101.500114.1
51A31.2Very low29.4Very low90 Ų90132.7 Ų132.774%0.74483%0.827SS**  cis-158.2-163.3-6.200000108.3
52A30.7Very low29.6Very low86 Ų86131.4 Ų131.471%0.71183%0.829SS**  cis-160.21718.500000113.5
53S29Very low29.8Very low116 Ų116134.6 Ų134.681%0.81184%0.837SS**  trans7137.1152.361.10000123.9
54A31.4Very low29.9Very low109 Ų109135 Ų13590%0.90184%0.839SS**  -164165.5125.600000111.2
55A32.8Very low30.1Very low110 Ų110135.3 Ų135.391%0.90984%0.841SS**  trans-131.4157.7-174.800000114
56G30.1Very low30.3Very low79 Ų79134.1 Ų134.181%0.81484%0.835SS**  trans-162.8157176.100000112
57R35.2Very low30.7Very low244 Ų244139 Ų13992%0.92184%0.837SS**  trans-127.8150.5-168-97.7-176.6165.8-168-3.1114.4
58S29.4Very low30.9Very low123 Ų123142 Ų14286%0.8684%0.836SS**  trans60.6126.414857.80000121.2
59G29.4Very low31Very low78 Ų78144.4 Ų144.480%0.80483%0.834SS**  trans-158.4142.3158.900000109.9
60T32.2Very low30.9Very low149 Ų149145.9 Ų145.991%0.91484%0.839SS**  trans-90.3143.3-170.845.60000113.8
61G28.4Very low30.6Very low78 Ų78143 Ų14380%0.80484%0.839SS**  trans-89.6-175.3-173.500000116.7
62L33.5Very low30.6Very low183 Ų183144.3 Ų144.396%0.95884%0.843SS**  trans-130.9158.5172.1-88.4167.6000110.4
63R32.2Very low30.5Very low243 Ų243146 Ų14692%0.91785%0.849SS**  trans-97.6148.7-177.2-69.4173.3164.3-179.5-4.9112
64S29.7Very low30.7Very low118 Ų118148.8 Ų148.883%0.82585%0.853SS**  trans-152.797.7142.5-156.50000114
65Q31.2Very low30.7Very low163 Ų163151.5 Ų151.576%0.76285%0.847SS**  trans33.2104.1142.4-159.716728.800120.7
66E28.9Very low30.8Very low169 Ų169153 Ų15379%0.7984%0.839SS**  trans-67.1151.1156.4-60.1-179.9119.400111.8
67R32.9Very low30.7Very low221 Ų221155.1 Ų155.183%0.83483%0.832SS**  trans-114.9126.7160.3-71.3-174.9-176.5146.52.5109.9
68K32.1Very low30.5Very low173 Ų173150.3 Ų150.375%0.75282%0.824SS**  trans-96.4133172.4-63.4174.6-179.5177.10109.3
69Y29.5Very low30.7Very low219 Ų219150.6 Ų150.686%0.85982%0.816SS**  trans-136.7129.4155.5-79.5-71.1000108.8
70S29.8Very low31Very low119 Ų119156.7 Ų156.783%0.83281%0.814SS**PPolyproline II helixtrans-94.7138.7-178.4-540000110.1
71C24.1Very low31.1Very low134 Ų134154.9 Ų154.991%0.90581%0.808SS**PPolyproline II helixtrans-82.5135.5166.3-62.40000110.1
72S29.3Very low31.3Very low117 Ų117157.3 Ų157.382%0.81881%0.811SS**PPolyproline II helixtrans-87.8136174.150.90000111.4
73S29.1Very low31.2Very low120 Ų120151.8 Ų151.884%0.83980%0.799SS**PPolyproline II helixtrans-71.7147.5170.2-60.10000112.3
74I34Very low31.7Very low176 Ų176148.1 Ų148.190%0.90379%0.792SS**  trans-132.4152.7148.8-170.9163.7000107.2
75E31.8Very low32.6Very low166 Ų166153.1 Ų153.178%0.77679%0.792SS**  trans-130.5168.3-155-160.3-180-136.700112.4
76L33.3Very low33.5Very low140 Ų140151.8 Ų151.873%0.73378%0.784SS**  trans77.9148.4170.3-48.4176.2000115.6
77D28.9Very low34.8Very low125 Ų125151.4 Ų151.467%0.66879%0.787SS**  cis-145.8165.79.9-149.37.5000115.7
78L31.7Very low35.8Very low142 Ų142144.6 Ų144.674%0.74379%0.785SS**  trans6.2151.8158.4-103.765.7000122
79D32.7Very low37.6Very low129 Ų129141.3 Ų141.369%0.6977%0.768SS**  cis-160.2169.38.3-169.822.7000113.3
80R35.9Very low39.9Very low206 Ų206134.4 Ų134.478%0.77775%0.751SS**  trans102.694.5136.5-144.5165.9-164.9174.57.4121.4
81S34.3Very low41.9Very low111 Ų111135.8 Ų135.878%0.77675%0.749SS**  trans69.7134.6145.4-57.70000119
82C32.7Very low44.2Very low129 Ų129136.7 Ų136.787%0.87274%0.737SS**  cis-161.9172-2.258.50000111.3
83G32Very low46.4Very low68 Ų68135.1 Ų135.170%0.70172%0.717SS**  trans10455.1157.100000118.8R85G83-R85 PolarHBondContact O-N 3.3Å
84H41.4Very low49Very low166 Ų166134.9 Ų134.977%0.76970%0.701SS**  trans-54.6114.9177.1-164.7-96.2000114.7
85R49.2Very low50.9Low223 Ų223132 Ų13284%0.84269%0.687SS**  trans-161.322.5165.8-129.9-169.7-65.1-151.55.1119.7G83G83-R85 PolarHBondContact O-N 3.3Å
86F50Low52.9Low134 Ų134129.3 Ų129.359%0.58867%0.674SS**  trans-113.1-2.5-170.8-75.8-77000118.1G88F86-G88 PolarHBondContact O-N 3.44Å
87L55.3Low54.7Low162 Ų162125.4 Ų125.485%0.84865%0.654SS**THydrogen-bonded Turntrans-79.139.1-175.9-62.4177.5000114.9
88G54.2Low56.7Low77 Ų77121.9 Ų121.979%0.79464%0.642SS**THydrogen-bonded Turntrans-153.26.8-179.700000115.9F86F86-G88 PolarHBondContact O-N 3.44Å
89R69.6Low58.4Low105 Ų105118.8 Ų118.840%0.39663%0.629SS.*  trans-95.3127.3180-65.9-170.1-174.1-146.3-2.6111.1Q93 K94 D97R89-Q93 HydrophobicContact CB-CB 4.14Å; R89-Q93 HydrophobicContact CB-CG 4.17Å; R89-Q93 HydrophobicContact CG-CG 4.19Å; R89-K94 HydrophobicContact CB-CG 4.07Å; R89-K94 WeakPolarHBondContact O-CE 3.44Å; R89-D97 WeakPolarHBondContact CD-OD2 3.29Å; R89-D97 IonicContact CZ-OD2 2.68Å; R89-D97 IonicContact NE-OD2 2.61Å; R89-D97 IonicContact NH1-OD1 3.73Å; R89-D97 PolarHBondContact NH1-OD1 2.64Å; R89-D97 VanDerWaalsContact NH1-OD1 3.09Å; R89-D97 IonicContact NH1-OD2 3.38Å; R89-D97 PolarHBondContact NH1-OD2 3.37Å
90S77.9Confident59.9Low73 Ų73115 Ų11551%0.5162%0.62SS.*  trans-63160.9174.774.10000111.7K92 Q93 K94S90-K92 PolarHBondContact O-N 3.39Å; S90-Q93 WeakPolarHBondContact O-CB 3.48Å; S90-Q93 PolarHBondContact O-N 3.09Å; S90-Q93 PolarHBondContact OG-N 2.76Å; S90-K94 PolarHBondContact O-N 3.04Å
91L72.8Confident60.9Low149 Ų149113.1 Ų113.178%0.7862%0.62SS**Hα-helixtrans-55.6-40178.6-176.462.6000112.1Q93 K94 L95L91-Q93 PolarHBondContact O-N 2.93Å; L91-K94 PolarHBondContact O-N 3.19Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 PolarHBondContact O-N 3.32Å
92K71.6Confident61.7Low152 Ų152112.3 Ų112.366%0.66161%0.613SS**Hα-helixtrans-61.3-41.7175.5-174.6176.9-179.5178.70112.2S90 L95 Q96S90-K92 PolarHBondContact O-N 3.39Å; K92-L95 PolarHBondContact O-N 3.01Å; K92-Q96 WeakPolarHBondContact O-CG 3.37Å; K92-Q96 PolarHBondContact O-N 3.08Å
93Q76.4Confident62.6Low84 Ų84112.8 Ų112.839%0.39360%0.601SS.*Hα-helixtrans-65.8-46177.4-166.371.253.100111.1R89 S90 L91 L95 Q96 D97R89-Q93 HydrophobicContact CB-CB 4.14Å; R89-Q93 HydrophobicContact CB-CG 4.17Å; R89-Q93 HydrophobicContact CG-CG 4.19Å; S90-Q93 WeakPolarHBondContact O-CB 3.48Å; S90-Q93 PolarHBondContact O-N 3.09Å; S90-Q93 PolarHBondContact OG-N 2.76Å; L91-Q93 PolarHBondContact O-N 2.93Å; Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 3.5Å; Q93-Q96 PolarHBondContact O-N 2.95Å; Q93-D97 VanDerWaalsContact O-CG 3.23Å; Q93-D97 PolarHBondContact O-N 3.29Å
94K83.3Confident63.1Low116 Ų116114.9 Ų114.950%0.50460%0.602SS.*Hα-helixtrans-60.6-39.4176.2-66.7-177.3-179.9-177.50112.1R89 S90 L91 A98R89-K94 HydrophobicContact CB-CG 4.07Å; R89-K94 WeakPolarHBondContact O-CE 3.44Å; S90-K94 PolarHBondContact O-N 3.04Å; L91-K94 PolarHBondContact O-N 3.19Å; K94-A98 WeakPolarHBondContact O-CB 3.17Å; K94-A98 PolarHBondContact O-N 2.94Å
95L73.1Confident63.2Low114 Ų114113.6 Ų113.660%0.59760%0.6SS**Hα-helixtrans-65.9-42.1175.8-169.370000111.6L91 K92 Q93 A98 V99L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 PolarHBondContact O-N 3.32Å; K92-L95 PolarHBondContact O-N 3.01Å; Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 3.5Å; L95-A98 PolarHBondContact O-N 3.15Å; L95-V99 WeakPolarHBondContact O-CB 3.28Å; L95-V99 VanDerWaalsContact O-CG2 3.28Å; L95-V99 WeakPolarHBondContact O-CG2 3.45Å; L95-V99 PolarHBondContact O-N 2.83Å
96Q74.6Confident62.9Low111 Ų111111.7 Ų111.752%0.51960%0.598SS.*Hα-helixtrans-66.5-41.4175.6-74.2179-4600112.5K92 Q93 A98 V99 G100K92-Q96 WeakPolarHBondContact O-CG 3.37Å; K92-Q96 PolarHBondContact O-N 3.08Å; Q93-Q96 PolarHBondContact O-N 2.95Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 2.93Å; Q96-V99 PolarHBondContact O-N 2.81Å; Q96-G100 PolarHBondContact O-N 3.34Å
97D71.6Confident62.2Low58 Ų58112 Ų11231%0.3161%0.606SS.*Hα-helixtrans-59.9-42.3174-67.1-38.1000110.8R89 Q93 G100 Q101R89-D97 WeakPolarHBondContact CD-OD2 3.29Å; R89-D97 IonicContact CZ-OD2 2.68Å; R89-D97 IonicContact NE-OD2 2.61Å; R89-D97 IonicContact NH1-OD1 3.73Å; R89-D97 PolarHBondContact NH1-OD1 2.64Å; R89-D97 VanDerWaalsContact NH1-OD1 3.09Å; R89-D97 IonicContact NH1-OD2 3.38Å; R89-D97 PolarHBondContact NH1-OD2 3.37Å; Q93-D97 VanDerWaalsContact O-CG 3.23Å; Q93-D97 PolarHBondContact O-N 3.29Å; D97-G100 PolarHBondContact O-N 3.4Å; D97-Q101 WeakPolarHBondContact O-CG 3.49Å; D97-Q101 PolarHBondContact O-N 2.96Å
98A70.6Confident61.2Low50 Ų50109.9 Ų109.941%0.41360%0.602SS.*Hα-helixtrans-68.1-45.1177.100000113K94 L95 Q96 G100 Q101 C102K94-A98 WeakPolarHBondContact O-CB 3.17Å; K94-A98 PolarHBondContact O-N 2.94Å; L95-A98 PolarHBondContact O-N 3.15Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 2.93Å; A98-G100 PolarHBondContact O-N 3.26Å; A98-Q101 WeakPolarHBondContact O-CB 3.4Å; A98-Q101 PolarHBondContact O-N 3.36Å; A98-C102 PolarHBondContact O-N 3.44Å; A98-C102 PolarHBondContact O-SG 3.44Å; A98-C102 VanDerWaalsContact O-SG 3.41Å
99V67.7Low60.5Low77 Ų77111.6 Ų111.647%0.46760%0.602SS.*Hα-helixtrans-61.5-34.9175.5170.50000111.2L95 Q96 Q101 C102 F103L95-V99 WeakPolarHBondContact O-CB 3.28Å; L95-V99 VanDerWaalsContact O-CG2 3.28Å; L95-V99 WeakPolarHBondContact O-CG2 3.45Å; L95-V99 PolarHBondContact O-N 2.83Å; Q96-V99 PolarHBondContact O-N 2.81Å; V99-Q101 VanDerWaalsContact C-N 3.33Å; V99-Q101 PolarHBondContact O-N 3.32Å; V99-C102 PolarHBondContact O-N 3.34Å; V99-F103 HydrophobicContact CG1-CD2 4.11Å; V99-F103 PolarHBondContact O-N 3.48Å
100G62.9Low58.7Low49 Ų49112 Ų11251%0.50562%0.622SS.*Hα-helixtrans-67.3-27.3173.200000114.7Q96 D97 A98Q96-G100 PolarHBondContact O-N 3.34Å; D97-G100 PolarHBondContact O-N 3.4Å; A98-G100 PolarHBondContact O-N 3.26Å
101Q58.5Low56.9Low167 Ų167118.6 Ų118.678%0.7864%0.635SS**Hα-helixtrans-75.9-40.3170.5-66.9-77.6-8.100111.3D97 A98 V99 F103D97-Q101 WeakPolarHBondContact O-CG 3.49Å; D97-Q101 PolarHBondContact O-N 2.96Å; A98-Q101 WeakPolarHBondContact O-CB 3.4Å; A98-Q101 PolarHBondContact O-N 3.36Å; V99-Q101 VanDerWaalsContact C-N 3.33Å; V99-Q101 PolarHBondContact O-N 3.32Å; Q101-F103 VanDerWaalsContact C-N 3.35Å; Q101-F103 PolarHBondContact O-N 2.76Å
102C51.3Low55.3Low94 Ų94120.5 Ų120.564%0.63564%0.64SS**Hα-helixtrans-72.5-23.2179.8-63.60000114A98 V99A98-C102 PolarHBondContact O-N 3.44Å; A98-C102 PolarHBondContact O-SG 3.44Å; A98-C102 VanDerWaalsContact O-SG 3.41Å; V99-C102 PolarHBondContact O-N 3.34Å
103F49.7Very low53.3Low139 Ų139118.3 Ų118.361%0.6165%0.65SS**SBendtrans-128.293.1178.4-66.4-81.1000111.3V99 Q101 I105V99-F103 HydrophobicContact CG1-CD2 4.11Å; V99-F103 PolarHBondContact O-N 3.48Å; Q101-F103 VanDerWaalsContact C-N 3.35Å; Q101-F103 PolarHBondContact O-N 2.76Å; F103-I105 PolarHBondContact O-N 3.31Å
104P43.8Very low51.5Low112 Ų112120.3 Ų120.373%0.72767%0.673SS**  trans-74.868.5-178.130.8-36.3000112.7K106P104-K106 PolarHBondContact O-N 2.86Å; P104-K106 VanDerWaalsContact O-N 3.15Å
105I43.2Very low49.5Very low139 Ų139118.2 Ų118.271%0.71369%0.685SS**  trans-69107.5169.2-57.7178.1000107.6F103 N107F103-I105 PolarHBondContact O-N 3.31Å; I105-N107 VanDerWaalsContact C-N 3.35Å; I105-N107 PolarHBondContact O-N 3.35Å
106K42.6Very low48.1Very low184 Ų184121 Ų12180%0.870%0.699SS**  trans-69.983.8-176.2-65.4-175.7180-178.80112.1P104 C108P104-K106 PolarHBondContact O-N 2.86Å; P104-K106 VanDerWaalsContact O-N 3.15Å; K106-C108 VanDerWaalsContact C-N 3.28Å; K106-C108 PolarHBondContact O-N 3.11Å
107N36.2Very low46.7Very low141 Ų141121.3 Ų121.375%0.75471%0.711SS**  trans-69.886163.4-90.619.1000109.8I105 S109I105-N107 VanDerWaalsContact C-N 3.35Å; I105-N107 PolarHBondContact O-N 3.35Å; N107-S109 PolarHBondContact O-N 2.93Å
108C33.8Very low45.3Very low116 Ų116123.8 Ų123.878%0.78473%0.733SS**  trans-70.873.8174.8-68.80000111.8K106K106-C108 VanDerWaalsContact C-N 3.28Å; K106-C108 PolarHBondContact O-N 3.11Å
109S39.1Very low44.7Very low113 Ų113131.2 Ų131.279%0.7976%0.756SS**  trans-103.844.3170-66.40000111.7N107N107-S109 PolarHBondContact O-N 2.93Å
110S31.6Very low44.5Very low115 Ų115138 Ų13880%0.80477%0.773SS**  trans-91.9130.1164.2-1660000109.2
111R41Very low44.5Very low211 Ų211145.3 Ų145.380%0.79679%0.791SS**  trans-87.6159.6174-57.6179.5-170.7-178.72.3108.8
112H38.1Very low44.6Very low188 Ų188141.4 Ų141.487%0.8777%0.774SS**  trans71.677.9175.2-46.5-81.1000116.6
113A31.2Very low44.9Very low107 Ų107142.8 Ų142.888%0.88477%0.771SS**  trans-143.4131.4143.800000108.2
114S38.4Very low45.4Very low125 Ų125142.1 Ų142.187%0.87477%0.773SS**  trans-102.8125.6-169.552.40000113.2
115G40.5Very low46.2Very low72 Ų72139.9 Ų139.974%0.74276%0.76SS**  trans85.5109.115900000116.8
116L43.3Very low46.9Very low172 Ų172137 Ų13790%0.90174%0.743SS**  -175.1157.3127.5-94.7171.2000108
117P45.8Very low47.6Very low119 Ų119130.7 Ų130.777%0.77372%0.718SS**  trans-78.1163.4-158.729.7-35.8000115.9
118S42.6Very low48.6Very low109 Ų109130.6 Ų130.676%0.76272%0.715SS**  trans-59.7157-173.3-171.50000115.3R120S118-R120 VanDerWaalsContact C-N 3.26Å; S118-R120 PolarHBondContact O-N 2.7Å
119K57.8Low50.1Low207 Ų207129 Ų12990%0.970%0.698SS**  trans-65.668.8176.1-61.7175.2179.3174.50112.8
120R63.1Low51.3Low220 Ų220130.2 Ų130.283%0.8370%0.696SS**PPolyproline II helixtrans-69.3140.6164.5-71.4-170.7-158.2138.55.4109.9S118S118-R120 VanDerWaalsContact C-N 3.26Å; S118-R120 PolarHBondContact O-N 2.7Å
121K62.9Low53.1Low201 Ų201133.4 Ų133.487%0.87470%0.695SS**PPolyproline II helixtrans-72.8121.4158.7-73.8-178172.9-175.90107.3H123K121-H123 PolarHBondContact O-N 3.09Å
122I59.9Low54.9Low85 Ų85125 Ų12544%0.43667%0.668SS.*PPolyproline II helixtrans-69.2124.2168.2-65.6157.6000106.9E126 L127 F134I122-E126 VanDerWaalsContact CA-OE2 3.31Å; I122-E126 WeakPolarHBondContact CA-OE2 3.45Å; I122-E126 HydrophobicContact CG2-CB 4.06Å; I122-E126 WeakPolarHBondContact CG2-OE2 3.43Å; I122-L127 HydrophobicContact CG2-CD2 4.02Å; I122-L127 HydrophobicContact CG2-CG 4.28Å; I122-F134 HydrophobicContact CD1-CE1 3.96Å; I122-F134 HydrophobicContact CD1-CZ 3.89Å
123H58.6Low56.8Low123 Ų123119.3 Ų119.357%0.56965%0.648SS**PPolyproline II helixtrans-82.5152.1176.7-167.1-112.8000110.3K121 S125 E126K121-H123 PolarHBondContact O-N 3.09Å; H123-S125 PolarHBondContact ND1-OG 3.05Å; H123-S125 PolarHBondContact O-N 3.22Å; H123-S125 VanDerWaalsContact O-N 3.12Å; H123-E126 HydrophobicContact CB-CG 4.39Å; H123-E126 PolarHBondContact N-OE2 2.77Å; H123-E126 WeakPolarHBondContact O-CB 3.41Å; H123-E126 PolarHBondContact O-N 3.46Å
124I60.1Low59.1Low126 Ų126116.1 Ų116.165%0.64661%0.614SS**Hα-helixtrans-61.1-28.7-175.5-129.971.6000112.1E126 L127I124-E126 VanDerWaalsContact C-N 3.31Å; I124-E126 PolarHBondContact O-N 3.15Å; I124-L127 HydrophobicContact CD1-CD1 4.07Å; I124-L127 HydrophobicContact CG1-CD1 4.49Å; I124-L127 WeakPolarHBondContact O-CB 3.12Å; I124-L127 PolarHBondContact O-N 3.49Å; I124-L127 VanDerWaalsContact O-N 3.16Å
125S59.7Low61.1Low64 Ų64114.4 Ų114.445%0.44860%0.6SS.*Hα-helixtrans-67.5-24173.959.20000114.2H123 L127 M128H123-S125 PolarHBondContact ND1-OG 3.05Å; H123-S125 PolarHBondContact O-N 3.22Å; H123-S125 VanDerWaalsContact O-N 3.12Å; S125-L127 PolarHBondContact O-N 3.49Å; S125-M128 PolarHBondContact O-N 2.85Å
126E58.9Low62.4Low79 Ų79116.7 Ų116.737%0.36960%0.602SS.*Hα-helixtrans-72.7-20.9173.8-61.5178.717100111.7I122 H123 I124I122-E126 VanDerWaalsContact CA-OE2 3.31Å; I122-E126 WeakPolarHBondContact CA-OE2 3.45Å; I122-E126 HydrophobicContact CG2-CB 4.06Å; I122-E126 WeakPolarHBondContact CG2-OE2 3.43Å; H123-E126 HydrophobicContact CB-CG 4.39Å; H123-E126 PolarHBondContact N-OE2 2.77Å; H123-E126 WeakPolarHBondContact O-CB 3.41Å; H123-E126 PolarHBondContact O-N 3.46Å; I124-E126 VanDerWaalsContact C-N 3.31Å; I124-E126 PolarHBondContact O-N 3.15Å
127L56.4Low63.6Low52 Ų52120.8 Ų120.827%0.27261%0.606SS.*Hα-helixtrans-79.9-22.4172.6-56.1177.6000112.3I122 I124 S125 L129 W144I122-L127 HydrophobicContact CG2-CD2 4.02Å; I122-L127 HydrophobicContact CG2-CG 4.28Å; I124-L127 HydrophobicContact CD1-CD1 4.07Å; I124-L127 HydrophobicContact CG1-CD1 4.49Å; I124-L127 WeakPolarHBondContact O-CB 3.12Å; I124-L127 PolarHBondContact O-N 3.49Å; I124-L127 VanDerWaalsContact O-N 3.16Å; S125-L127 PolarHBondContact O-N 3.49Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-W144 PolarHBondContact O-NE1 3.16Å
128M58.1Low65.3Low138 Ų138116.7 Ų116.768%0.6858%0.58SS**THydrogen-bonded Turntrans-87.95.7179.9-63.4-62.5-67.300114S125S125-M128 PolarHBondContact O-N 2.85Å
129L65.6Low67Low84 Ų84117.3 Ų117.344%0.4457%0.57SS.*  trans-69.2155178.4-65.7174.7000111.9L127 W144L127-L129 VanDerWaalsContact C-N 3.34Å; L129-W144 WeakPolarHBondContact O-CH2 3.41Å; L129-W144 WeakPolarHBondContact O-CZ2 3.36Å
130D63.3Low68.1Low138 Ų138111.6 Ų111.674%0.73855%0.549SS*.SBendtrans-76.4-31.4-179.4-94.6-45000114.7K148D130-K148 PolarHBondContact O-NZ 3.33Å; D130-K148 IonicContact OD1-NZ 3.09Å; D130-K148 PolarHBondContact OD1-NZ 3.02Å
131K70.6Confident69Low181 Ų181101.4 Ų101.479%0.78751%0.512SS*.SBendtrans-111.6139.3177.9-61.7-175.2-178.9-179.20110.1
132C79.1Confident69.7Low35 Ų3599 Ų9924%0.23650%0.502CS..  trans-64.4126.8-176.4-167.90000111.4F134 W144 H145C132-F134 VanDerWaalsContact C-N 3.27Å; C132-F134 PolarHBondContact O-N 3.49Å; C132-W144 HydrophobicContact CB-CD2 4.02Å; C132-W144 HydrophobicContact CB-CE3 3.5Å; C132-W144 HydrophobicContact CB-CH2 4Å; C132-W144 HydrophobicContact CB-CZ2 4.44Å; C132-W144 HydrophobicContact CB-CZ3 3.51Å; C132-W144 VanDerWaalsContact SG-CD2 3.59Å; C132-H145 VanDerWaalsContact CB-CE1 3.48Å; C132-H145 WeakPolarHBondContact CB-CE1 3.49Å
133P76.3Confident70.7Confident69 Ų69101.2 Ų101.245%0.44851%0.505SS..  trans-82-0.3179.833.3-36.1000113.9
134F80.9Confident71.9Confident39 Ų3995.8 Ų95.817%0.17148%0.479CS..SBendtrans-103.1150.9-175.8-55.4-62.3000112.2I122 C132 L140 A141 W144I122-F134 HydrophobicContact CD1-CE1 3.96Å; I122-F134 HydrophobicContact CD1-CZ 3.89Å; C132-F134 VanDerWaalsContact C-N 3.27Å; C132-F134 PolarHBondContact O-N 3.49Å; F134-L140 HydrophobicContact CB-CB 4.26Å; F134-L140 HydrophobicContact CD1-CB 3.97Å; F134-L140 HydrophobicContact CD1-CD1 4.2Å; F134-L140 HydrophobicContact CD2-CB 4.04Å; F134-L140 HydrophobicContact CE1-CB 4.36Å; F134-L140 HydrophobicContact CE1-CD1 4.27Å; F134-L140 HydrophobicContact CE2-CB 4.43Å; F134-L140 HydrophobicContact CG-CB 3.81Å; F134-A141 HydrophobicContact CB-CB 3.94Å; F134-W144 HydrophobicContact CD2-CB 3.94Å; F134-W144 HydrophobicContact CD2-CG 4.19Å; F134-W144 HydrophobicContact CE2-CB 3.99Å; F134-W144 AromaticContact CE2-CD1 3.75Å; F134-W144 HydrophobicContact CE2-CG 4.08Å
135P78.9Confident72.9Confident90 Ų9094.2 Ų94.258%0.58447%0.469SS*.PPolyproline II helixtrans-56.6139.7178.2-25.434.7000112.5S138 A141P135-S138 VanDerWaalsContact O-CB 3.27Å; P135-S138 WeakPolarHBondContact O-CB 3.32Å; P135-S138 PolarHBondContact O-N 3.32Å; P135-S138 VanDerWaalsContact O-N 3.12Å; P135-S138 PolarHBondContact O-OG 3.07Å; P135-A141 WeakPolarHBondContact O-CB 3.19Å
136P69.3Low73.9Confident120 Ų12095.1 Ų95.178%0.77947%0.469SS*.THydrogen-bonded Turntrans-58.8144.6177.625.6-34.2000110.7S138P136-S138 PolarHBondContact O-N 3.47Å
137R68.7Low74.8Confident258 Ų25895.3 Ų95.397%0.97447%0.471SS*.THydrogen-bonded Turntrans65.24.8-172.9-56.4177.3136.9155-4.2116.2
138S81.7Confident75.8Confident33 Ų3396.3 Ų96.323%0.23147%0.473CS..  trans-74.6150168.768.70000112.2P135 P136 L140 A141 F142P135-S138 VanDerWaalsContact O-CB 3.27Å; P135-S138 WeakPolarHBondContact O-CB 3.32Å; P135-S138 PolarHBondContact O-N 3.32Å; P135-S138 VanDerWaalsContact O-N 3.12Å; P135-S138 PolarHBondContact O-OG 3.07Å; P136-S138 PolarHBondContact O-N 3.47Å; S138-L140 PolarHBondContact O-N 3.11Å; S138-A141 WeakPolarHBondContact O-CB 3.36Å; S138-A141 PolarHBondContact O-N 3.05Å; S138-A141 VanDerWaalsContact O-N 3.09Å; S138-A141 WeakPolarHBondContact OG-CB 3.49Å; S138-A141 PolarHBondContact OG-N 3.39Å; S138-F142 PolarHBondContact O-N 3.49Å
139E77.6Confident76.5Confident121 Ų12199.6 Ų99.657%0.56548%0.478SS*.Hα-helixtrans-59.3-35.1176.3-169.8-167.8-154.200111.9F142 R143E139-F142 PolarHBondContact O-N 3.35Å; E139-R143 VanDerWaalsContact CD-CZ 3.44Å; E139-R143 WeakPolarHBondContact O-CG 3.45Å; E139-R143 PolarHBondContact O-N 2.9Å; E139-R143 IonicContact OE1-CZ 2.76Å; E139-R143 IonicContact OE1-NE 3.95Å; E139-R143 IonicContact OE1-NH1 2.7Å; E139-R143 IonicContact OE1-NH2 3.69Å; E139-R143 PolarHBondContact OE1-NH2 3.05Å; E139-R143 IonicContact OE2-CZ 2.64Å; E139-R143 IonicContact OE2-NH1 3.83Å; E139-R143 PolarHBondContact OE2-NH1 3.38Å; E139-R143 IonicContact OE2-NH2 3.64Å
140L80.3Confident76.3Confident88 Ų88103 Ų10346%0.46149%0.491SS..Hα-helixtrans-65.8-40.3175.1-61.5-179.8000111.8F134 S138 R143 W144F134-L140 HydrophobicContact CB-CB 4.26Å; F134-L140 HydrophobicContact CD1-CB 3.97Å; F134-L140 HydrophobicContact CD1-CD1 4.2Å; F134-L140 HydrophobicContact CD2-CB 4.04Å; F134-L140 HydrophobicContact CE1-CB 4.36Å; F134-L140 HydrophobicContact CE1-CD1 4.27Å; F134-L140 HydrophobicContact CE2-CB 4.43Å; F134-L140 HydrophobicContact CG-CB 3.81Å; S138-L140 PolarHBondContact O-N 3.11Å; L140-R143 PolarHBondContact O-N 2.93Å; L140-W144 VanDerWaalsContact O-CB 3.28Å; L140-W144 WeakPolarHBondContact O-CB 3.31Å; L140-W144 PolarHBondContact O-N 3.4Å
141A82.6Confident76.4Confident6 Ų6100.1 Ų100.15%0.0548%0.479CS..Hα-helixtrans-62.8-42172.500000111.6F134 P135 S138 W144 H145F134-A141 HydrophobicContact CB-CB 3.94Å; P135-A141 WeakPolarHBondContact O-CB 3.19Å; S138-A141 WeakPolarHBondContact O-CB 3.36Å; S138-A141 PolarHBondContact O-N 3.05Å; S138-A141 VanDerWaalsContact O-N 3.09Å; S138-A141 WeakPolarHBondContact OG-CB 3.49Å; S138-A141 PolarHBondContact OG-N 3.39Å; A141-W144 PolarHBondContact O-N 3.43Å; A141-H145 PolarHBondContact O-N 3.07Å; A141-H145 VanDerWaalsContact O-N 3.08Å; A141-H145 PolarHBondContact O-ND1 3.14Å
142F77.7Confident75.6Confident150 Ų15094.4 Ų94.466%0.65847%0.466SS*.Hα-helixtrans-61.4-49.8177.1-176.2-95.4000111.8S138 E139 W144 H145 L146S138-F142 PolarHBondContact O-N 3.49Å; E139-F142 PolarHBondContact O-N 3.35Å; F142-W144 VanDerWaalsContact C-N 3.33Å; F142-W144 PolarHBondContact O-N 3.38Å; F142-H145 PolarHBondContact O-N 3.41Å; F142-L146 PolarHBondContact O-N 3.41Å
143R80.6Confident74Confident131 Ų13198.6 Ų98.649%0.49449%0.493SS..Hα-helixtrans-61.1-38.5177-71.7177.5175.5157.24.6112.5E139 L140 L146 I147E139-R143 VanDerWaalsContact CD-CZ 3.44Å; E139-R143 WeakPolarHBondContact O-CG 3.45Å; E139-R143 PolarHBondContact O-N 2.9Å; E139-R143 IonicContact OE1-CZ 2.76Å; E139-R143 IonicContact OE1-NE 3.95Å; E139-R143 IonicContact OE1-NH1 2.7Å; E139-R143 IonicContact OE1-NH2 3.69Å; E139-R143 PolarHBondContact OE1-NH2 3.05Å; E139-R143 IonicContact OE2-CZ 2.64Å; E139-R143 IonicContact OE2-NH1 3.83Å; E139-R143 PolarHBondContact OE2-NH1 3.38Å; E139-R143 IonicContact OE2-NH2 3.64Å; L140-R143 PolarHBondContact O-N 2.93Å; R143-L146 PolarHBondContact O-N 3.12Å; R143-I147 VanDerWaalsContact O-CG1 3.29Å; R143-I147 WeakPolarHBondContact O-CG1 3.35Å; R143-I147 PolarHBondContact O-N 2.68Å
144W84Confident72.4Confident9 Ų9102.5 Ų102.53%0.03451%0.508CS..Hα-helixtrans-63.1-45.7176.7-175.492.4000112.5L127 L129 C132 F134 L140 A141 F142 L146 I147 K148L127-W144 PolarHBondContact O-NE1 3.16Å; L129-W144 WeakPolarHBondContact O-CH2 3.41Å; L129-W144 WeakPolarHBondContact O-CZ2 3.36Å; C132-W144 HydrophobicContact CB-CD2 4.02Å; C132-W144 HydrophobicContact CB-CE3 3.5Å; C132-W144 HydrophobicContact CB-CH2 4Å; C132-W144 HydrophobicContact CB-CZ2 4.44Å; C132-W144 HydrophobicContact CB-CZ3 3.51Å; C132-W144 VanDerWaalsContact SG-CD2 3.59Å; F134-W144 HydrophobicContact CD2-CB 3.94Å; F134-W144 HydrophobicContact CD2-CG 4.19Å; F134-W144 HydrophobicContact CE2-CB 3.99Å; F134-W144 AromaticContact CE2-CD1 3.75Å; F134-W144 HydrophobicContact CE2-CG 4.08Å; L140-W144 VanDerWaalsContact O-CB 3.28Å; L140-W144 WeakPolarHBondContact O-CB 3.31Å; L140-W144 PolarHBondContact O-N 3.4Å; A141-W144 PolarHBondContact O-N 3.43Å; F142-W144 VanDerWaalsContact C-N 3.33Å; F142-W144 PolarHBondContact O-N 3.38Å; W144-L146 VanDerWaalsContact C-N 3.33Å; W144-L146 PolarHBondContact O-N 3.28Å; W144-I147 PolarHBondContact O-N 3.47Å; W144-K148 HydrophobicContact CH2-CD 3.82Å; W144-K148 HydrophobicContact CZ2-CD 4.39Å; W144-K148 HydrophobicContact CZ3-CD 4.13Å; W144-K148 PolarHBondContact O-N 3Å
145H81.1Confident70.5Confident94 Ų94105 Ų10544%0.43553%0.53SS..Hα-helixtrans-67.9-33.5176.8-70.290.3000112.4C132 A141 F142 R149C132-H145 VanDerWaalsContact CB-CE1 3.48Å; C132-H145 WeakPolarHBondContact CB-CE1 3.49Å; A141-H145 PolarHBondContact O-N 3.07Å; A141-H145 VanDerWaalsContact O-N 3.08Å; A141-H145 PolarHBondContact O-ND1 3.14Å; F142-H145 PolarHBondContact O-N 3.41Å; H145-R149 WeakPolarHBondContact O-CG 3.42Å; H145-R149 PolarHBondContact O-N 3.13Å; H145-R149 VanDerWaalsContact O-N 3.15Å
146L79.7Confident68.7Low83 Ų83109.2 Ų109.244%0.43554%0.542SS..Hα-helixtrans-63.5-46.7173.3-172.467.3000111F142 R143 W144 R149 H150F142-L146 PolarHBondContact O-N 3.41Å; R143-L146 PolarHBondContact O-N 3.12Å; W144-L146 VanDerWaalsContact C-N 3.33Å; W144-L146 PolarHBondContact O-N 3.28Å; L146-R149 PolarHBondContact O-N 2.88Å; L146-H150 PolarHBondContact O-CD2 2.91Å; L146-H150 VanDerWaalsContact O-CD2 3.26Å; L146-H150 PolarHBondContact O-N 3.08Å
147I79Confident67.2Low83 Ų83110.9 Ų110.943%0.42654%0.537SS..Hα-helixtrans-59.5-51.9175-67.5163.8000110.2R143 W144 R149 H150 T151R143-I147 VanDerWaalsContact O-CG1 3.29Å; R143-I147 WeakPolarHBondContact O-CG1 3.35Å; R143-I147 PolarHBondContact O-N 2.68Å; W144-I147 PolarHBondContact O-N 3.47Å; I147-R149 PolarHBondContact O-N 2.97Å; I147-R149 VanDerWaalsContact O-N 3.08Å; I147-H150 CarbonylContact O-C 3.57Å; I147-H150 PolarHBondContact O-N 3.49Å; I147-T151 HydrophobicContact CG2-CG2 3.85Å; I147-T151 PolarHBondContact O-N 2.75Å; I147-T151 PolarHBondContact O-OG1 3.38Å; I147-T151 VanDerWaalsContact O-OG1 3.13Å
148K76.3Confident65.8Low72 Ų72101 Ų10131%0.31351%0.511SS..Hα-helixtrans-60.4-24.6-178-151.4-170.5-172.4-159.20113.4D130 W144 A152D130-K148 PolarHBondContact O-NZ 3.33Å; D130-K148 IonicContact OD1-NZ 3.09Å; D130-K148 PolarHBondContact OD1-NZ 3.02Å; W144-K148 HydrophobicContact CH2-CD 3.82Å; W144-K148 HydrophobicContact CZ2-CD 4.39Å; W144-K148 HydrophobicContact CZ3-CD 4.13Å; W144-K148 PolarHBondContact O-N 3Å; K148-A152 PolarHBondContact O-N 3.36Å
149R73.2Confident63.7Low207 Ų207105.8 Ų105.878%0.78153%0.53SS*.Hα-helixtrans-72.7-34.7171.9-78.3176.3172.7-174-3.3113.7H145 L146 I147H145-R149 WeakPolarHBondContact O-CG 3.42Å; H145-R149 PolarHBondContact O-N 3.13Å; H145-R149 VanDerWaalsContact O-N 3.15Å; L146-R149 PolarHBondContact O-N 2.88Å; I147-R149 PolarHBondContact O-N 2.97Å; I147-R149 VanDerWaalsContact O-N 3.08Å
150H60.9Low61.9Low155 Ų155106.8 Ų106.872%0.71853%0.534SS*.Hα-helixtrans-96.7-10.4-178.6-67.6-70.3000113.9L146 I147L146-H150 PolarHBondContact O-CD2 2.91Å; L146-H150 VanDerWaalsContact O-CD2 3.26Å; L146-H150 PolarHBondContact O-N 3.08Å; I147-H150 CarbonylContact O-C 3.57Å; I147-H150 PolarHBondContact O-N 3.49Å
151T66.2Low59.7Low79 Ų79113.1 Ų113.149%0.48555%0.552SS.*SBendtrans-113.312.7176.569.20000113.6I147I147-T151 HydrophobicContact CG2-CG2 3.85Å; I147-T151 PolarHBondContact O-N 2.75Å; I147-T151 PolarHBondContact O-OG1 3.38Å; I147-T151 VanDerWaalsContact O-OG1 3.13Å
152A53.3Low57.6Low61 Ų61118.3 Ų118.350%0.50458%0.578SS.*SBendtrans-69.3135.1167.800000109.3K148 I154K148-A152 PolarHBondContact O-N 3.36Å; A152-I154 PolarHBondContact O-N 3.21Å
153P45.6Very low56Low123 Ų123117.4 Ų117.480%0.79958%0.579SS**  trans-57.8139.5171.9-23.333.8000110.8S155P153-S155 PolarHBondContact O-N 2.87Å
154I43.4Very low54Low150 Ų150113.8 Ų113.877%0.76958%0.577SS**  trans-65.7104.6174.9-57.9170.3000107.5A152A152-I154 PolarHBondContact O-N 3.21Å
155S39.7Very low51.8Low91 Ų91120.1 Ų120.164%0.63661%0.611SS**  trans-70136171.6-171.30000109P153 K157P153-S155 PolarHBondContact O-N 2.87Å; S155-K157 PolarHBondContact O-N 3.4Å
156Q42.6Very low49.7Very low179 Ų179122.8 Ų122.884%0.83663%0.628SS**THydrogen-bonded Turntrans-73.952.2-176.4-61.9176.4-79.100112.6
157K37.3Very low47.8Very low155 Ų155123.1 Ų123.167%0.67464%0.637SS**THydrogen-bonded Turntrans-1384.5173.8-87.3-156164.5-156.80113.6S155S155-K157 PolarHBondContact O-N 3.4Å
158A39Very low45.7Very low51 Ų51127.1 Ų127.142%0.42165%0.654SS.*SBendtrans-85.8-14.8174.300000113.4
159E38.7Very low43.7Very low134 Ų134131.3 Ų131.363%0.62668%0.68SS**Hα-helixtrans-81.3-31.1-174.3-65.5175.1167.100112.5W161 I162E159-W161 VanDerWaalsContact C-N 3.3Å; E159-W161 PolarHBondContact O-N 3.02Å; E159-I162 PolarHBondContact O-N 3.48Å
160E38.5Very low41.8Very low142 Ų142130.7 Ų130.766%0.66469%0.686SS**Hα-helixtrans-67.9-22.8-179.4-66.3-177.5123.200114.1
161W33.8Very low40.3Very low220 Ų220132.1 Ų132.183%0.83369%0.693SS**Hα-helixtrans-93.6-17.2179.1-78.3-23.2000114.7E159E159-W161 VanDerWaalsContact C-N 3.3Å; E159-W161 PolarHBondContact O-N 3.02Å
162I39.3Very low38.7Very low115 Ų115137.9 Ų137.959%0.5971%0.711SS**Hα-helixtrans-87.7-25.3179.5-63174.3000111.4E159E159-I162 PolarHBondContact O-N 3.48Å
163I44.2Very low37.5Very low132 Ų132144.5 Ų144.568%0.67773%0.732SS**THydrogen-bonded Turntrans-77.8-21.8-179.4-64.8172000112.3
164A37.7Very low36.6Very low55 Ų55145 Ų14546%0.45573%0.728SS.*THydrogen-bonded Turntrans-73-52.6179.300000113.2L166 S167A164-L166 PolarHBondContact O-N 3.25Å; A164-L166 VanDerWaalsContact O-N 3.11Å; A164-S167 PolarHBondContact O-N 2.92Å; A164-S167 PolarHBondContact O-OG 3.43Å
165D39.3Very low36Very low141 Ų141144.9 Ų144.975%0.75472%0.724SS**THydrogen-bonded Turntrans-71-5.3-170.5-82.2-1.8000115.2
166L36.9Very low35.5Very low151 Ų151148.8 Ų148.879%0.79174%0.737SS**THydrogen-bonded Turntrans-106.311-179.8-66.6174.6000113.7A164A164-L166 PolarHBondContact O-N 3.25Å; A164-L166 VanDerWaalsContact O-N 3.11Å
167S38.8Very low34.8Very low89 Ų89143.4 Ų143.462%0.62273%0.729SS**SBendtrans-111.13.6-175.5660000115.3A164A164-S167 PolarHBondContact O-N 2.92Å; A164-S167 PolarHBondContact O-OG 3.43Å
168Q35.7Very low34.5Very low168 Ų168143.2 Ų143.279%0.78574%0.735SS**SBendtrans-143.578.2179.7-65.9-172.20.900111.6
169N32.8Very low34.1Very low160 Ų160148 Ų14886%0.85675%0.754SS**SBendtrans-160.213.4167.5-110-35.3000116.9
170E33.4Very low33.7Very low193 Ų193149.3 Ų149.390%0.90276%0.76SS**  trans-13889.4170.1-70.9-166.7130.700111.1
171E30.3Very low33.4Very low185 Ų185149.1 Ų149.186%0.86476%0.762SS**  trans-169.7146.4149-115.6178.5-142.900112.2
172K31.3Very low33.3Very low200 Ų200142.7 Ų142.787%0.8776%0.756SS**  trans59.1104.2171.6-74.7-178.3171.8178.10119.6
173E29.5Very low32.9Very low201 Ų201143 Ų14394%0.93977%0.768SS**  trans-118.798.9143.3-175.6-177.5174.100108.2
174D27.1Very low32.1Very low134 Ų134140.6 Ų140.672%0.71778%0.776SS**  trans-161.3147.9164-152.7-10.1000112.9
175Q30.2Very low31.6Very low146 Ų146141.1 Ų141.168%0.68279%0.787SS**  trans56.9107.5167.3-96.2132.292.900121.7
176L28.9Very low31.2Very low174 Ų174140.8 Ų140.891%0.91179%0.79SS**  45.5128.2121.4-63.8169.6000120.9
177G28.9Very low30.8Very low66 Ų66140.6 Ų140.668%0.6879%0.79SS**  trans163.781159.800000117.3
178D29.4Very low30.2Very low150 Ų150141.3 Ų141.380%0.80280%0.795SS**  trans54137.5138.9-46.5-23.4000124.1
179D31.1Very low30.3Very low151 Ų151139 Ų13981%0.80780%0.795SS**  trans64.8138.3140.7-68.1-3.4000122.7
180E31.1Very low30.1Very low163 Ų163136.2 Ų136.276%0.76279%0.788SS**  cis-165.1-167.5-12.8-150.8-134121.500110.8
181I31Very low29.8Very low137 Ų137135.3 Ų135.370%0.70378%0.784SS**  trans8296.1163.1-48.2-168.3000119.8
182A31.9Very low29.5Very low85 Ų85131.3 Ų131.370%0.70278%0.776SS**  trans61.7146130.700000122.6
183S30.6Very low29.1Very low121 Ų121127.1 Ų127.185%0.84677%0.771SS**  cis-168.3150.8-12-104.70000112.3
184G27.4Very low28.8Very low82 Ų82124.4 Ų124.485%0.84576%0.763SS**  trans98.9124.5157.400000116.4
185G28.7Very low28.7Very low67 Ų67124.6 Ų124.669%0.69176%0.763SS**  cis160.4122.5-10.100000113.7
186T31Very low28.4Very low134 Ų134123.6 Ų123.682%0.82277%0.767SS**  trans56.2146.916042.20000119.2
187D26.9Very low28.1Very low146 Ų146122.7 Ų122.778%0.78176%0.763SS**  cis-135.4163.316.7-119.3-33.1000115.4
188S26.3Very low27.9Very low105 Ų105124 Ų12473%0.73476%0.762SS**  trans-126.4-165.4179-720000107.7
189P39.2Very low27.7Very low119 Ų119122.4 Ų122.477%0.77376%0.763SS**  cis-132.4176-5.941.3-24.2000115.9
190S28.8Very low27.5Very low102 Ų102120.1 Ų120.171%0.71376%0.758SS**  trans-91.3162164.653.20000112.6
191Q26.7Very low27.4Very low173 Ų173117.3 Ų117.381%0.80876%0.757SS**  trans-172.9130.7143.7-104.2157.769.600108.6
192S22.8Very low27.3Very low101 Ų101122.1 Ų122.171%0.70677%0.766SS**  56.6145.195.284.30000114.5
193C24.5Very low27Very low112 Ų112121.5 Ų121.576%0.75777%0.768SS**  cis-161.5163.429.155.10000114.4
194D21.6Very low27Very low145 Ų145123.2 Ų123.278%0.77577%0.768SS**  trans22.5155.2141.2-97-50.5000127
195L24.9Very low27Very low137 Ų137124.1 Ų124.172%0.71776%0.761SS**  trans78106147.8-71.6167.3000123.7
196T24.3Very low27Very low126 Ų126132 Ų13277%0.77377%0.77SS**  72.5147.1127.253.60000125.8
197D22Very low26.9Very low154 Ų154129.3 Ų129.382%0.82476%0.761SS**  trans89.5174.8152-134.5-9.3000119.4
198S25.3Very low26.8Very low93 Ų93130.5 Ų130.565%0.6576%0.762SS**  -135.2-165.3-127.165.30000117.1
199S26.4Very low27.1Very low118 Ų118132.3 Ų132.383%0.82576%0.762SS**  trans77.9157.2-179.987.40000116
200S26.8Very low26.6Very low102 Ų102132.4 Ų132.471%0.71376%0.761SS**  cis-171.2151.3-26.5173.60000111.2
201S29.2Very low26.6Very low105 Ų105133.1 Ų133.173%0.73476%0.761SS**  trans73.3163.3159.585.40000117.6
202R28.1Very low26.6Very low238 Ų238130.8 Ų130.890%0.89876%0.764SS**  cis-159.1143.38.1-156165.7170.6-179.1-5115.4
203G26.5Very low26.9Very low72 Ų72135.3 Ų135.374%0.74277%0.77SS**  trans88.8162.7143.700000119.2
204D28.8Very low27.1Very low157 Ų157136.4 Ų136.484%0.8477%0.773SS**  cis-166171.7-25.5-160.94.7000110.1
205S28.9Very low27.4Very low100 Ų100132.7 Ų132.770%0.69977%0.769SS**  trans75.9144.8172.8-63.90000117.5
206R29Very low27.8Very low234 Ų234137.7 Ų137.788%0.88378%0.779SS**  cis147.9143.6-9.5162.6-170.2167.5156.8-1.1106.1
207A28.1Very low27.9Very low76 Ų76137.1 Ų137.163%0.62878%0.78SS**  cis-171.5-161.7-20.300000107.5
208E25.4Very low28.3Very low172 Ų172134.5 Ų134.580%0.80477%0.774SS**  trans71.9121.5175.7-50.7-6991.300115.5
209L30.8Very low28.6Very low142 Ų142138 Ų13874%0.74378%0.777SS**  cis102.7161.912.9-155.7135.5000115.3T211L209-T211 HydrophobicContact CD2-CG2 4.04Å; L209-T211 HydrophobicContact CG-CG2 4.42Å
210V29.1Very low28.8Very low122 Ų122137.5 Ų137.574%0.73977%0.765SS**  trans95.8106.9-168.7-178.60000112.3
211T28.8Very low29Very low116 Ų116140.5 Ų140.571%0.71277%0.768SS**  cis89.4104.229.778.50000116.6L209L209-T211 HydrophobicContact CD2-CG2 4.04Å; L209-T211 HydrophobicContact CG-CG2 4.42Å
212S27.8Very low29.2Very low125 Ų125141.4 Ų141.487%0.87478%0.775SS**  trans-137.6164.9163.263.20000110
213K28.2Very low29.4Very low195 Ų195137 Ų13785%0.84877%0.769SS**  trans-167155-166.8-151.2170.6-179.9174.60113.7
214V29.6Very low29.8Very low135 Ų135141.6 Ų141.682%0.81877%0.773SS**  trans72.6143.1169.1-166.40000114.9
215G28.3Very low29.8Very low67 Ų67141.4 Ų141.469%0.69177%0.772SS**  cis151.7164.1-12.900000115.3
216R31.9Very low30.2Very low242 Ų242141.9 Ų141.991%0.91378%0.775SS**  trans86.2111.4167.7-64.2-176.6158.9-146-5.8121.5
217S26.8Very low30.2Very low114 Ų114138.1 Ų138.180%0.79777%0.773SS**  50.3122.5120.7178.70000119.9
218S29.7Very low30.4Very low100 Ų100141.6 Ų141.670%0.69978%0.781SS**  -177.1156.662.658.60000116.2
219K31.8Very low30.8Very low166 Ų166141.3 Ų141.372%0.72278%0.779SS**  trans74.7122.7148.1-79.2-163.6147.5-70.50123
220D31.6Very low31.1Very low107 Ų107140.2 Ų140.257%0.57278%0.778SS**  80118.7126.5-60.813.1000122.8
221E31.6Very low31Very low166 Ų166141 Ų14178%0.77678%0.777SS**  trans55.8104.9145.4-46.6-46.910100123.2
222S32.5Very low31.1Very low124 Ų124141.4 Ų141.487%0.86778%0.779SS**  -169.1152.1121.711.10000112.4
223D33.1Very low31.7Very low146 Ų146143.6 Ų143.678%0.78178%0.781SS**  trans-87.8174.6-172-61.4-81.2000116.2
224M33.3Very low31.7Very low168 Ų168140.7 Ų140.783%0.82878%0.783SS**  trans96.982.8155.8-57.2-59.6163.700120.3
225D29.8Very low32Very low153 Ų153140.8 Ų140.882%0.81878%0.784SS**  93.3110.7111.8-148.321.1000121.6
226S37.4Very low32.2Very low110 Ų110142.7 Ų142.777%0.76979%0.787SS**  trans37.9110157.9-152.10000122.2
227D29.1Very low32.6Very low154 Ų154137.3 Ų137.382%0.82479%0.786SS**  trans-83.2176.8161-68.3-58.3000113.8
228D31.2Very low33.3Very low150 Ų150142.8 Ų142.880%0.80279%0.79SS**  trans-58.9-170.8159.3-55-91.8000113.4
229E35.5Very low34Very low165 Ų165148 Ų14877%0.77180%0.8SS**  cis-163.3163.813.6-153.5-171.2-161.100111.7
230V35.2Very low34.3Very low119 Ų119151.5 Ų151.572%0.72181%0.808SS**  trans68.7164.4150.9105.90000115.6
231I27.7Very low34.4Very low139 Ų139153 Ų15371%0.71382%0.816SS**  -152.2156.750.6-25-179.2000112.9
232T31.8Very low34.6Very low124 Ų124154.6 Ų154.676%0.76182%0.821SS**  trans73.9115.2152.224.40000121.7
233L39.9Very low34.9Very low172 Ų172153.2 Ų153.290%0.90181%0.809SS**  trans-73.7145.5144.1-67.5166.1000110.1
234C27.9Very low34.7Very low134 Ų134154.2 Ų154.291%0.90581%0.806SS**  trans-156.5139.8155.4-141.50000113
235T35.8Very low34.7Very low137 Ų137156.5 Ų156.584%0.8481%0.806SS**  trans-89.7137.2-176.152.20000112.7
236S32.3Very low34.8Very low106 Ų106156.4 Ų156.474%0.74180%0.8SS**  trans-158.1135.1147.358.90000113.1
237S40.7Very low34.6Very low129 Ų129156.9 Ų156.990%0.90280%0.799SS**  trans-79.5124.1169.6-67.70000109.9
238R42Very low34.8Very low230 Ų230157.1 Ų157.187%0.86880%0.8SS**  trans-122.4102.7168.3-86.9-171.7168.5-173.1-2.9112.3R240R238-R240 PolarHBondContact O-N 2.96Å; R238-R240 VanDerWaalsContact O-N 3.12Å
239K43.8Very low35.4Very low209 Ų209158 Ų15891%0.90980%0.804SS**  trans-51.9106.3165.3-170176.3-174.7177.90109.1
240R37.7Very low35.8Very low240 Ų240159.1 Ų159.191%0.90681%0.81SS**PPolyproline II helixtrans-101.6130.2178.7-179.2170.4166.6140.9-3.8110.2R238R238-R240 PolarHBondContact O-N 2.96Å; R238-R240 VanDerWaalsContact O-N 3.12Å
241N34.5Very low36.1Very low139 Ų139161.3 Ų161.374%0.74382%0.817SS**PPolyproline II helixtrans-69.9145.4-174.3-58-22.7000111.5
242K36.3Very low36.8Very low199 Ų199163 Ų16387%0.86583%0.826SS**PPolyproline II helixtrans-68.3131.8167.6-63.7-175.2179.5-177.50108.9K244K242-K244 PolarHBondContact O-N 3.44Å
243P37.8Very low37.3Very low95 Ų95168.6 Ų168.662%0.61783%0.834SS**PPolyproline II helixtrans-66.9130.5161.529.2-31.6000108.7W245P243-W245 PolarHBondContact O-N 3.38Å
244K30Very low37.6Very low167 Ų167169.2 Ų169.273%0.72683%0.834SS**  trans-83.3106.6168.5-172.4-164.2-176.4-163.90106.9K242 E246K242-K244 PolarHBondContact O-N 3.44Å; K244-E246 HydrophobicContact CD-CG 4.32Å; K244-E246 WeakPolarHBondContact CE-OE1 3.39Å; K244-E246 IonicContact NZ-OE1 3.44Å; K244-E246 PolarHBondContact NZ-OE1 3.46Å
245W31.6Very low38.1Very low216 Ų216171.9 Ų171.982%0.81883%0.833SS**  trans-89.4122164.1-62.2103.8000107.2P243P243-W245 PolarHBondContact O-N 3.38Å
246E33.4Very low38.4Very low151 Ų151171.4 Ų171.471%0.70683%0.83SS**  trans-84.3135.1164.8-70.4169.1166.100106.6K244K244-E246 HydrophobicContact CD-CG 4.32Å; K244-E246 WeakPolarHBondContact CE-OE1 3.39Å; K244-E246 IonicContact NZ-OE1 3.44Å; K244-E246 PolarHBondContact NZ-OE1 3.46Å
247T32.7Very low38.9Very low119 Ų119171.7 Ų171.773%0.7383%0.829SS**  trans-112122.8-175.8-57.80000107.7D249T247-D249 PolarHBondContact O-N 2.9Å
248D32.9Very low39.3Very low159 Ų159169.3 Ų169.385%0.8581%0.811SS**  trans-66.3125.5177.4-64.1-55.8000110.9E250D248-E250 VanDerWaalsContact C-N 3.34Å; D248-E250 PolarHBondContact O-N 2.99Å
249D43.4Very low39.5Very low168 Ų168167.5 Ų167.590%0.89881%0.809SS**SBendtrans-93.832.3-156.3-141.7-24.2000113.9T247T247-D249 PolarHBondContact O-N 2.9Å
250E43.9Very low39.6Very low189 Ų189163.6 Ų163.688%0.88379%0.79SS**SBendtrans-139.125.4-166.2-142.5-177.9158.100116.8D248D248-E250 VanDerWaalsContact C-N 3.34Å; D248-E250 PolarHBondContact O-N 2.99Å
251L42.6Very low40.6Very low165 Ų165157.7 Ų157.786%0.86477%0.772SS**SBendtrans-140.411176.6-109.7177.3000117.9
252L40.9Very low41.7Very low176 Ų176154.6 Ų154.692%0.92176%0.759SS**  trans-125.961.6-178.9-69.9176.4000113.7
253R43.9Very low43Very low241 Ų241149.4 Ų149.491%0.90974%0.737SS**  trans-111.5132.1161-70.3-173.8-179.1166.35109.8
254M45.9Very low44.6Very low184 Ų184148.3 Ų148.391%0.90673%0.725SS**SBendtrans65.183.2-179-59.5175.156.300115.7
255E37Very low46.9Very low190 Ų190143.2 Ų143.289%0.88871%0.706SS**  -144.5132.7103.6-72.8-152.3145.800109.1
256T43.4Very low49.3Very low127 Ų127137.8 Ų137.878%0.77969%0.686SS**PPolyproline II helixtrans-82.6129.5166.650.50000108.7
257P42.5Very low51.9Low112 Ų112133.8 Ų133.873%0.72767%0.672SS**PPolyproline II helixtrans-57.1135.3-17923.3-33.6000110.4K259P257-K259 PolarHBondContact O-N 3.34Å
258P48.1Very low54.7Low79 Ų79131.4 Ų131.451%0.51365%0.652SS.*PPolyproline II helixtrans-55.9129.5-175.4-27.234.5000112Y260P258-Y260 HydrophobicContact CB-CD1 4.44Å; P258-Y260 HydrophobicContact CB-CD2 4.4Å; P258-Y260 HydrophobicContact CB-CE1 3.99Å; P258-Y260 HydrophobicContact CB-CE2 3.96Å; P258-Y260 HydrophobicContact CG-CE2 4.44Å; P258-Y260 WeakPolarHBondContact O-CD2 3.28Å; P258-Y260 PolarHBondContact O-N 2.98Å
259K47.9Very low57.4Low192 Ų192125 Ų12584%0.83562%0.62SS**  trans-77.870.6176.8-69.7-180179.4173.80110P257 H261P257-K259 PolarHBondContact O-N 3.34Å; K259-H261 PolarHBondContact O-N 3.32Å
260Y46Very low59.9Low127 Ų127117.9 Ų117.950%0.49858%0.582SS.*  trans-54.4110.3177.6-59.3-73.5000110.6P258 T262P258-Y260 HydrophobicContact CB-CD1 4.44Å; P258-Y260 HydrophobicContact CB-CD2 4.4Å; P258-Y260 HydrophobicContact CB-CE1 3.99Å; P258-Y260 HydrophobicContact CB-CE2 3.96Å; P258-Y260 HydrophobicContact CG-CE2 4.44Å; P258-Y260 WeakPolarHBondContact O-CD2 3.28Å; P258-Y260 PolarHBondContact O-N 2.98Å; Y260-T262 PolarHBondContact O-N 3.01Å
261H57.8Low62.2Low117 Ų117109.1 Ų109.154%0.54254%0.541SS..EExtended strand (participates in β ladder)trans-84106.1172.3-168.985.9000109K259 I429K259-H261 PolarHBondContact O-N 3.32Å; H261-I429 HydrophobicContact CB-CB 4.42Å; H261-I429 PolarHBondContact O-N 3.41Å
262T58.2Low64.5Low74 Ų74104.4 Ų104.445%0.45452%0.52SS..EExtended strand (participates in β ladder)trans-92.5101.1176.850.60000110.6Y260 V426 L427 R428Y260-T262 PolarHBondContact O-N 3.01Å; T262-V426 HydrophobicContact CG2-CG1 3.84Å; T262-L427 WeakPolarHBondContact CA-O 3.48Å; T262-R428 HydrophobicContact CG2-CG 4.34Å
263Q63.2Low67Low89 Ų8996.2 Ų96.242%0.41648%0.478SS..EExtended strand (participates in β ladder)trans-81132168.8-175.3172.5-44.800109.2D265 V426 L427Q263-D265 PolarHBondContact NE2-OD1 3.34Å; Q263-V426 CarbonylContact O-C 3.58Å; Q263-V426 WeakPolarHBondContact O-CA 3.38Å; Q263-L427 PolarHBondContact N-O 3.48Å; Q263-L427 PolarHBondContact O-N 3.02Å
264I71.3Confident69.4Low72 Ų7284.9 Ų84.937%0.36944%0.435SS..EExtended strand (participates in β ladder)trans-109.3110.3176.4-52.3-178000107.9Y266 K423 V426I264-Y266 HydrophobicContact CB-CE2 4.03Å; I264-Y266 HydrophobicContact CG2-CD2 4.33Å; I264-Y266 HydrophobicContact CG2-CE2 3.69Å; I264-Y266 VanDerWaalsContact O-CD2 3.3Å; I264-Y266 WeakPolarHBondContact O-CD2 3.5Å; I264-Y266 WeakPolarHBondContact O-CE2 2.99Å; I264-K423 HydrophobicContact CG2-CG 4.22Å; I264-V426 HydrophobicContact CG1-CG1 4.45Å; I264-V426 HydrophobicContact CG1-CG2 4.24Å
265D77.8Confident71.7Confident61 Ų6177.9 Ų77.933%0.32640%0.401SS..EExtended strand (participates in β ladder)trans-89.7132.7178.8-65.8-37.1000111Q263 V424 R425Q263-D265 PolarHBondContact NE2-OD1 3.34Å; D265-V424 PolarHBondContact O-N 3.36Å; D265-R425 PolarHBondContact N-O 3.39Å
266Y83.3Confident74.5Confident102 Ų10274.3 Ų74.340%0.438%0.384SS..EExtended strand (participates in β ladder)trans-112.8134.9-179-65.5-97.7000110.5I264 K421 S422 K423I264-Y266 HydrophobicContact CB-CE2 4.03Å; I264-Y266 HydrophobicContact CG2-CD2 4.33Å; I264-Y266 HydrophobicContact CG2-CE2 3.69Å; I264-Y266 VanDerWaalsContact O-CD2 3.3Å; I264-Y266 WeakPolarHBondContact O-CD2 3.5Å; I264-Y266 WeakPolarHBondContact O-CE2 2.99Å; Y266-K421 HydrophobicContact CD1-CB 3.88Å; Y266-S422 CarbonylContact C-O 3.58Å; Y266-S422 VanDerWaalsContact CA-O 3.32Å; Y266-S422 WeakPolarHBondContact CA-O 3.35Å; Y266-K423 HydrophobicContact CD1-CG 3.77Å; Y266-K423 HydrophobicContact CE1-CD 4.09Å; Y266-K423 HydrophobicContact CE1-CG 3.36Å; Y266-K423 WeakPolarHBondContact OH-CE 3.24Å
267V87.8Confident77Confident66 Ų6668.4 Ų68.440%0.435%0.348SS..EExtended strand (participates in β ladder)trans-106.3134.1168.7172.10000109S422 V424V267-S422 PolarHBondContact N-O 3.12Å; V267-S422 PolarHBondContact O-N 3.28Å; V267-V424 HydrophobicContact CB-CG2 3.77Å; V267-V424 HydrophobicContact CG2-CB 4.29Å; V267-V424 HydrophobicContact CG2-CG2 3.54Å
268H89.9Confident79.5Confident69 Ų6963.5 Ų63.532%0.31932%0.316SS..EExtended strand (participates in β ladder)trans-89.2122.5179.1-64.1-104.4000109.3Y399 H419 Y420H268-Y399 HydrophobicContact CB-CD1 3.66Å; H268-Y399 HydrophobicContact CB-CD2 4.03Å; H268-Y399 HydrophobicContact CB-CE1 3.41Å; H268-Y399 VanDerWaalsContact CB-CE1 3.41Å; H268-Y399 HydrophobicContact CB-CE2 3.81Å; H268-Y399 HydrophobicContact CB-CG 3.95Å; H268-Y399 VanDerWaalsContact CB-CZ 3.48Å; H268-Y399 AromaticContact CG-CZ 3.95Å; H268-Y399 VanDerWaalsContact O-CB 3.24Å; H268-Y399 WeakPolarHBondContact O-CB 3.33Å; H268-H419 AromaticContact CE1-NE2 3.65Å; H268-H419 AromaticContact CG-CD2 3.87Å; H268-H419 AromaticContact ND1-CD2 3.11Å; H268-H419 PolarHBondContact ND1-CD2 3.19Å; H268-H419 AromaticContact ND1-CE1 3.9Å; H268-H419 AromaticContact ND1-NE2 2.92Å; H268-H419 PolarHBondContact ND1-NE2 3.41Å; H268-Y420 WeakPolarHBondContact CA-O 3.48Å
269C91.4Very high81.7Confident25 Ų2565.4 Ų65.417%0.16932%0.322CS..EExtended strand (participates in β ladder)trans-120.3135.4-179.6-61.10000109.8H419 Y420C269-H419 CarbonylContact O-C 3.58Å; C269-H419 WeakPolarHBondContact O-CA 3.38Å; C269-H419 VanDerWaalsContact O-CB 3.29Å; C269-H419 WeakPolarHBondContact O-CB 3.46Å; C269-Y420 HydrophobicContact CB-CD1 4.31Å; C269-Y420 HydrophobicContact CB-CD2 3.97Å; C269-Y420 HydrophobicContact CB-CE1 3.84Å; C269-Y420 HydrophobicContact CB-CE2 3.48Å; C269-Y420 VanDerWaalsContact CB-CE2 3.48Å; C269-Y420 HydrophobicContact CB-CG 4.38Å; C269-Y420 VanDerWaalsContact CB-CZ 3.42Å; C269-Y420 PolarHBondContact N-O 2.97Å; C269-Y420 WeakPolarHBondContact O-CD1 3.42Å; C269-Y420 PolarHBondContact O-N 3.38Å
270L94.1Very high84Confident19 Ų1958.3 Ų58.310%0.09929%0.293CS..EExtended strand (participates in β ladder)trans-63.3149.1169.6-64.6174.4000109.7P272 C394 T397 Y399 I402 Y420L270-P272 WeakPolarHBondContact O-CD 3.43Å; L270-C394 HydrophobicContact CD1-CB 4.29Å; L270-T397 HydrophobicContact CD1-CG2 4.33Å; L270-Y399 HydrophobicContact CD2-CD2 4.02Å; L270-Y399 HydrophobicContact CG-CD2 4.39Å; L270-I402 HydrophobicContact CD1-CD1 3.96Å; L270-I402 HydrophobicContact CD2-CD1 3.98Å; L270-I402 HydrophobicContact CG-CD1 4.47Å; L270-Y420 WeakPolarHBondContact O-CE1 3.49Å
271V94.1Very high86.3Confident5 Ų555.2 Ų55.23%0.0329%0.288CS..  trans-62.5120.2168.5178.50000108.3D273 L274 I277 L315 F316 I353 Y418 Y420V271-D273 VanDerWaalsContact C-N 3.31Å; V271-D273 PolarHBondContact O-N 3.47Å; V271-L274 HydrophobicContact CB-CB 4.28Å; V271-L274 HydrophobicContact CG1-CB 4.43Å; V271-I277 HydrophobicContact CG1-CD1 3.89Å; V271-L315 HydrophobicContact CG2-CD1 3.22Å; V271-F316 HydrophobicContact CG1-CE2 4.24Å; V271-F316 HydrophobicContact CG2-CE2 4.05Å; V271-I353 HydrophobicContact CG1-CD1 4.19Å; V271-Y418 PolarHBondContact N-O 2.92Å; V271-Y420 HydrophobicContact CG2-CD1 4.5Å
272P89.9Confident88.1Confident65 Ų6549.7 Ų49.742%0.42226%0.263SS..THydrogen-bonded Turntrans-62.5-42.8-176.324.8-33.6000110.9L270 L274 F338L270-P272 WeakPolarHBondContact O-CD 3.43Å; P272-L274 VanDerWaalsContact C-N 3.28Å; P272-L274 PolarHBondContact O-N 2.77Å; P272-F338 HydrophobicContact CG-CE2 4.36Å
273D92.8Very high90Very high5 Ų546.1 Ų46.13%0.02724%0.241CC..THydrogen-bonded Turntrans-84.711.1-171-159.233.8000115V271 L275 Q276 I277 D352 T354V271-D273 VanDerWaalsContact C-N 3.31Å; V271-D273 PolarHBondContact O-N 3.47Å; D273-L275 PolarHBondContact O-N 2.86Å; D273-Q276 PolarHBondContact O-N 2.96Å; D273-Q276 WeakPolarHBondContact OD1-CB 3.26Å; D273-Q276 VanDerWaalsContact OD1-CD 3.3Å; D273-Q276 WeakPolarHBondContact OD1-CG 3.32Å; D273-Q276 PolarHBondContact OD1-NE2 2.82Å; D273-I277 HydrophobicContact CB-CD1 4.19Å; D273-I277 HydrophobicContact CB-CG1 4.47Å; D273-I277 WeakPolarHBondContact O-CG1 3.06Å; D273-I277 PolarHBondContact O-N 3.11Å; D273-D352 HydrophobicContact CB-CB 4.18Å; D273-T354 WeakPolarHBondContact OD2-CB 3.44Å; D273-T354 PolarHBondContact OD2-N 3.49Å; D273-T354 PolarHBondContact OD2-OG1 3.22Å
274L94.4Very high91.6Very high3 Ų342.8 Ų42.82%0.01622%0.224CC..Hα-helixtrans-57.1-29.8-168.6-17563.3000113.6V271 P272 N278 F316 T391 C394 Y418V271-L274 HydrophobicContact CB-CB 4.28Å; V271-L274 HydrophobicContact CG1-CB 4.43Å; P272-L274 VanDerWaalsContact C-N 3.28Å; P272-L274 PolarHBondContact O-N 2.77Å; L274-N278 WeakPolarHBondContact O-CB 3.19Å; L274-N278 PolarHBondContact O-N 3.31Å; L274-N278 PolarHBondContact O-ND2 3.21Å; L274-F316 HydrophobicContact CD1-CZ 4.24Å; L274-T391 HydrophobicContact CG-CG2 4.29Å; L274-C394 HydrophobicContact CD2-CB 3.96Å; L274-Y418 HydrophobicContact CD1-CD2 3.74Å; L274-Y418 HydrophobicContact CD1-CE2 4.35Å; L274-Y418 HydrophobicContact CD1-CG 3.89Å; L274-Y418 HydrophobicContact CD2-CD2 3.92Å; L274-Y418 HydrophobicContact CD2-CG 4.32Å; L274-Y418 HydrophobicContact CG-CD2 4.47Å
275L95.2Very high92.8Very high37 Ų3739.4 Ų39.419%0.19421%0.208CC..Hα-helixtrans-76.2-42176.9-175.958.7000112.7D273 N278 N279 V392 N395D273-L275 PolarHBondContact O-N 2.86Å; L275-N278 PolarHBondContact O-N 2.8Å; L275-N279 VanDerWaalsContact O-CG 3.24Å; L275-N279 PolarHBondContact O-N 2.79Å; L275-N279 PolarHBondContact O-ND2 2.8Å; L275-V392 HydrophobicContact CD1-CG2 4.18Å; L275-N395 HydrophobicContact CB-CB 4.12Å; L275-N395 VanDerWaalsContact CB-OD1 3.26Å; L275-N395 WeakPolarHBondContact CB-OD1 3.48Å; L275-N395 HydrophobicContact CD2-CB 3.93Å; L275-N395 WeakPolarHBondContact CD2-OD1 3.26Å
276Q95.5Very high93.6Very high115 Ų11542.8 Ų42.854%0.53723%0.23SC..Hα-helixtrans-69.5-41177.9-50.7-16585.700110.8D273 N278 N279 N280D273-Q276 PolarHBondContact O-N 2.96Å; D273-Q276 WeakPolarHBondContact OD1-CB 3.26Å; D273-Q276 VanDerWaalsContact OD1-CD 3.3Å; D273-Q276 WeakPolarHBondContact OD1-CG 3.32Å; D273-Q276 PolarHBondContact OD1-NE2 2.82Å; Q276-N278 PolarHBondContact O-N 2.9Å; Q276-N279 PolarHBondContact O-N 2.98Å; Q276-N279 VanDerWaalsContact O-N 3.1Å; Q276-N280 WeakPolarHBondContact O-CB 3.38Å; Q276-N280 PolarHBondContact O-N 2.83Å
277I95.8Very high94.1Very high2 Ų239.3 Ų39.31%0.0122%0.218CC..Hα-helixtrans-49.4-43.9169.4-69.9160.5000111V271 D273 N280 Y283 L306 F316 I353V271-I277 HydrophobicContact CG1-CD1 3.89Å; D273-I277 HydrophobicContact CB-CD1 4.19Å; D273-I277 HydrophobicContact CB-CG1 4.47Å; D273-I277 WeakPolarHBondContact O-CG1 3.06Å; D273-I277 PolarHBondContact O-N 3.11Å; I277-N280 PolarHBondContact O-N 3.48Å; I277-Y283 HydrophobicContact CG2-CD1 3.88Å; I277-Y283 HydrophobicContact CG2-CD2 3.88Å; I277-Y283 HydrophobicContact CG2-CE1 4.1Å; I277-Y283 HydrophobicContact CG2-CE2 4.09Å; I277-Y283 HydrophobicContact CG2-CG 3.76Å; I277-Y283 WeakPolarHBondContact O-CB 3.41Å; I277-L306 HydrophobicContact CG2-CD2 3.78Å; I277-F316 HydrophobicContact CD1-CE2 4.15Å; I277-F316 HydrophobicContact CD1-CZ 4.18Å; I277-F316 HydrophobicContact CG2-CE1 4.49Å; I277-I353 HydrophobicContact CD1-CB 3.96Å; I277-I353 HydrophobicContact CD1-CD1 4.01Å; I277-I353 HydrophobicContact CD1-CG1 4.48Å; I277-I353 HydrophobicContact CD1-CG2 4.13Å; I277-I353 HydrophobicContact CG1-CB 4.29Å; I277-I353 HydrophobicContact CG1-CG2 4.16Å
278N95.4Very high94.5Very high10 Ų1039.4 Ų39.45%0.05322%0.216CC..Hα-helixtrans-76.3-28.6-178.1-92.2-91.4000114.8L274 L275 Q276 R379 F383 H387 T391L274-N278 WeakPolarHBondContact O-CB 3.19Å; L274-N278 PolarHBondContact O-N 3.31Å; L274-N278 PolarHBondContact O-ND2 3.21Å; L275-N278 PolarHBondContact O-N 2.8Å; Q276-N278 PolarHBondContact O-N 2.9Å; N278-R379 PolarHBondContact O-NH2 3.39Å; N278-F383 WeakPolarHBondContact OD1-CD2 3.36Å; N278-F383 WeakPolarHBondContact OD1-CE2 2.96Å; N278-H387 PolarHBondContact ND2-NE2 3.22Å; N278-H387 PolarHBondContact OD1-CD2 3.25Å; N278-H387 PolarHBondContact OD1-NE2 3.06Å; N278-T391 HydrophobicContact CB-CG2 3.89Å; N278-T391 VanDerWaalsContact ND2-CG2 3.35Å; N278-T391 WeakPolarHBondContact ND2-CG2 3.49Å
279N94.8Very high94.8Very high119 Ų11939.8 Ų39.864%0.63622%0.217SC*.Hα-helixtrans-78.2-23.8173.4-65.6-25000111.9L275 Q276L275-N279 VanDerWaalsContact O-CG 3.24Å; L275-N279 PolarHBondContact O-N 2.79Å; L275-N279 PolarHBondContact O-ND2 2.8Å; Q276-N279 PolarHBondContact O-N 2.98Å; Q276-N279 VanDerWaalsContact O-N 3.1Å
280N94.6Very high95.1Very high42 Ų4245.6 Ų45.623%0.22524%0.236CC..SBendtrans-68.7122.5177.7-169-28000110.8Q276 I277 C282 Y283Q276-N280 WeakPolarHBondContact O-CB 3.38Å; Q276-N280 PolarHBondContact O-N 2.83Å; I277-N280 PolarHBondContact O-N 3.48Å; N280-C282 VanDerWaalsContact CG-SG 3.55Å; N280-C282 PolarHBondContact O-N 3.32Å; N280-C282 PolarHBondContact OD1-N 3Å; N280-C282 PolarHBondContact OD1-SG 3.43Å; N280-Y283 PolarHBondContact O-N 3.41Å
281P95.1Very high95.2Very high63 Ų6346.6 Ų46.641%0.40925%0.247SC..THydrogen-bonded Turntrans-67.5-15.6-178.729.1-37.1000113.7Y283 N378 R379P281-Y283 PolarHBondContact O-N 2.94Å; P281-N378 HydrophobicContact CB-CB 4.18Å; P281-N378 WeakPolarHBondContact CB-OD1 3.42Å; P281-N378 WeakPolarHBondContact CG-OD1 3.38Å; P281-N378 CarbonylContact O-C 3.5Å; P281-N378 WeakPolarHBondContact O-CA 3.22Å; P281-R379 PolarHBondContact O-N 2.85Å
282C95.8Very high95.3Very high0 Ų046.3 Ų46.30%025%0.246CC..THydrogen-bonded Turntrans-75-9.117686.40000113.8N280 W284 F304 L306 P376N280-C282 VanDerWaalsContact CG-SG 3.55Å; N280-C282 PolarHBondContact O-N 3.32Å; N280-C282 PolarHBondContact OD1-N 3Å; N280-C282 PolarHBondContact OD1-SG 3.43Å; C282-W284 VanDerWaalsContact O-CD1 3.32Å; C282-F304 HydrophobicContact CB-CE2 4.17Å; C282-F304 HydrophobicContact CB-CZ 4.31Å; C282-L306 PolarHBondContact O-N 2.82Å; C282-P376 HydrophobicContact CB-CB 3.6Å
283Y97.4Very high95.7Very high0 Ų046 Ų460%024%0.238CC..BIsolated β-bridgetrans-89.3122179.3177.7-120.8000111.9I277 N280 P281 L306 D308 F316 R379 F383 H387 Y418I277-Y283 HydrophobicContact CG2-CD1 3.88Å; I277-Y283 HydrophobicContact CG2-CD2 3.88Å; I277-Y283 HydrophobicContact CG2-CE1 4.1Å; I277-Y283 HydrophobicContact CG2-CE2 4.09Å; I277-Y283 HydrophobicContact CG2-CG 3.76Å; I277-Y283 WeakPolarHBondContact O-CB 3.41Å; N280-Y283 PolarHBondContact O-N 3.41Å; P281-Y283 PolarHBondContact O-N 2.94Å; Y283-L306 WeakPolarHBondContact CA-O 3.21Å; Y283-L306 HydrophobicContact CD2-CB 4.26Å; Y283-L306 HydrophobicContact CD2-CD2 3.79Å; Y283-L306 HydrophobicContact CD2-CG 3.91Å; Y283-L306 HydrophobicContact CG-CD2 4.39Å; Y283-D308 WeakPolarHBondContact CE2-OD1 3.27Å; Y283-D308 VanDerWaalsContact CZ-OD1 3.31Å; Y283-D308 PolarHBondContact OH-OD1 2.79Å; Y283-F316 HydrophobicContact CE2-CD1 4.11Å; Y283-F316 AromaticContact CE2-CE1 3.89Å; Y283-F316 HydrophobicContact CE2-CE1 3.89Å; Y283-R379 WeakPolarHBondContact O-CD 3.4Å; Y283-R379 PolarHBondContact O-NE 3.2Å; Y283-F383 AromaticContact CD1-CE2 3.63Å; Y283-F383 HydrophobicContact CD1-CE2 3.63Å; Y283-F383 AromaticContact CD1-CZ 3.58Å; Y283-F383 HydrophobicContact CD1-CZ 3.58Å; Y283-F383 AromaticContact CE1-CE2 3.74Å; Y283-F383 HydrophobicContact CE1-CE2 3.74Å; Y283-F383 AromaticContact CE1-CZ 3.66Å; Y283-F383 HydrophobicContact CE1-CZ 3.66Å; Y283-F383 HydrophobicContact CG-CZ 4.49Å; Y283-H387 AromaticContact CE1-NE2 3.48Å; Y283-H387 WeakPolarHBondContact CE1-NE2 3.47Å; Y283-Y418 PolarHBondContact OH-OH 3.43Å
284W97.1Very high95.9Very high18 Ų1848.7 Ų48.77%0.06826%0.261CS..  trans-100.2-9.3-177.8-72.670.2000114.3C282 M287 L295 L306 L377 N378 R379 T380 F381C282-W284 VanDerWaalsContact O-CD1 3.32Å; W284-M287 HydrophobicContact CB-CE 3.81Å; W284-M287 HydrophobicContact CB-SD 4.27Å; W284-M287 HydrophobicContact CD2-CE 3.77Å; W284-M287 HydrophobicContact CE3-CE 3.39Å; W284-M287 HydrophobicContact CG-CE 3.97Å; W284-M287 HydrophobicContact CZ3-CE 4.21Å; W284-L295 HydrophobicContact CD2-CD1 4.34Å; W284-L295 HydrophobicContact CE3-CD1 3.96Å; W284-L295 HydrophobicContact CH2-CD1 3.89Å; W284-L295 HydrophobicContact CH2-CD2 4.22Å; W284-L295 HydrophobicContact CZ2-CD1 4.27Å; W284-L295 HydrophobicContact CZ3-CD1 3.72Å; W284-L306 PolarHBondContact N-O 3.19Å; W284-L377 HydrophobicContact CZ2-CD2 4.12Å; W284-L377 HydrophobicContact CZ2-CG 4.14Å; W284-L377 PolarHBondContact NE1-O 3.46Å; W284-N378 WeakPolarHBondContact CZ2-O 3.4Å; W284-R379 HydrophobicContact CD2-CB 4.07Å; W284-R379 HydrophobicContact CD2-CG 4.46Å; W284-R379 HydrophobicContact CE3-CB 4.49Å; W284-R379 HydrophobicContact CE3-CG 4.46Å; W284-R379 HydrophobicContact CG-CB 4.32Å; W284-R379 HydrophobicContact CZ2-CB 4.46Å; W284-T380 HydrophobicContact CH2-CG2 4.5Å; W284-F381 AromaticContact CE3-CE1 3.6Å; W284-F381 HydrophobicContact CE3-CE1 3.6Å; W284-F381 HydrophobicContact CE3-CZ 4.22Å; W284-F381 HydrophobicContact CZ3-CD1 4.4Å; W284-F381 AromaticContact CZ3-CE1 3.8Å; W284-F381 HydrophobicContact CZ3-CE1 3.8Å
285G95.6Very high96Very high2 Ų251.2 Ų51.22%0.02128%0.275CS..  trans73.4-145.3-175.500000113M287 D308G285-M287 PolarHBondContact O-N 2.93Å; G285-D308 PolarHBondContact O-N 2.71Å
286V95.2Very high96Very high131 Ų13149.5 Ų49.579%0.79427%0.265SS*.SBendtrans-61.8103.3178.6-176.90000110.6D308V286-D308 WeakPolarHBondContact CG2-OD2 3.35Å; V286-D308 PolarHBondContact N-OD2 3.31Å
287M95.2Very high96.1Very high30 Ų3051.1 Ų51.115%0.14827%0.273CS..  trans-147.5138.6178.9175.8-177.3-76.200109.1W284 G285 A291 A292 L295 L305 R307W284-M287 HydrophobicContact CB-CE 3.81Å; W284-M287 HydrophobicContact CB-SD 4.27Å; W284-M287 HydrophobicContact CD2-CE 3.77Å; W284-M287 HydrophobicContact CE3-CE 3.39Å; W284-M287 HydrophobicContact CG-CE 3.97Å; W284-M287 HydrophobicContact CZ3-CE 4.21Å; G285-M287 PolarHBondContact O-N 2.93Å; M287-A291 HydrophobicContact CG-CB 3.94Å; M287-A291 HydrophobicContact SD-CB 4.45Å; M287-A292 HydrophobicContact SD-CB 3.9Å; M287-L295 HydrophobicContact CE-CD1 3.4Å; M287-L295 VanDerWaalsContact CE-CD1 3.4Å; M287-L295 HydrophobicContact SD-CD1 4.03Å; M287-L305 HydrophobicContact SD-CD1 3.97Å; M287-L305 HydrophobicContact SD-CD2 4.46Å; M287-R307 HydrophobicContact CB-CB 3.96Å; M287-R307 WeakPolarHBondContact O-CD 3.39Å; M287-R307 PolarHBondContact O-NH1 3.07Å; M287-R307 VanDerWaalsContact O-NH1 3.07Å
288D95.5Very high95.9Very high67 Ų6754.2 Ų54.236%0.35831%0.305SS..  trans-82.9176.6176.683.4-45.7000111.7Y290 A291 A292 R307D288-Y290 WeakPolarHBondContact OD2-CB 3.39Å; D288-Y290 WeakPolarHBondContact OD2-CD2 3.39Å; D288-Y290 PolarHBondContact OD2-N 2.89Å; D288-Y290 VanDerWaalsContact OD2-N 3.11Å; D288-A291 WeakPolarHBondContact OD1-CB 3.32Å; D288-A291 PolarHBondContact OD1-N 3.46Å; D288-A292 PolarHBondContact O-N 3.23Å; D288-R307 PolarHBondContact O-NE 2.93Å
289K96.1Very high96Very high77 Ų7757.8 Ų57.834%0.33532%0.321SS..Hα-helixtrans-69.9-33.6178.676.5178.6-164.481.90112.7A292 E293K289-A292 WeakPolarHBondContact O-CB 3.4Å; K289-A292 PolarHBondContact O-N 2.84Å; K289-E293 IonicContact NZ-OE1 3.79Å; K289-E293 PolarHBondContact NZ-OE1 2.89Å; K289-E293 WeakPolarHBondContact O-CB 3.33Å; K289-E293 VanDerWaalsContact O-CG 3.26Å; K289-E293 WeakPolarHBondContact O-CG 3.34Å; K289-E293 PolarHBondContact O-N 2.83Å
290Y96.8Very high96Very high148 Ų14856.1 Ų56.158%0.5832%0.316SS*.Hα-helixtrans-74.7-37.2-173.2-57.4-70.1000112.3D288 A292 E293 A294D288-Y290 WeakPolarHBondContact OD2-CB 3.39Å; D288-Y290 WeakPolarHBondContact OD2-CD2 3.39Å; D288-Y290 PolarHBondContact OD2-N 2.89Å; D288-Y290 VanDerWaalsContact OD2-N 3.11Å; Y290-A292 VanDerWaalsContact C-N 3.31Å; Y290-E293 WeakPolarHBondContact CD1-OE2 3.38Å; Y290-E293 PolarHBondContact O-N 2.85Å; Y290-A294 PolarHBondContact O-N 3.45Å
291A96.5Very high96Very high39 Ų3958 Ų5832%0.32232%0.324SS..Hα-helixtrans-64.8-36.6170.200000112M287 D288 A294 L295M287-A291 HydrophobicContact CG-CB 3.94Å; M287-A291 HydrophobicContact SD-CB 4.45Å; D288-A291 WeakPolarHBondContact OD1-CB 3.32Å; D288-A291 PolarHBondContact OD1-N 3.46Å; A291-A294 PolarHBondContact O-N 3.5Å; A291-L295 WeakPolarHBondContact O-CB 3.29Å; A291-L295 WeakPolarHBondContact O-CG 3.34Å; A291-L295 PolarHBondContact O-N 2.96Å
292A97.4Very high95.9Very high0 Ų055 Ų550%030%0.304CS..Hα-helixtrans-67.5-42.6174.200000112.4M287 D288 K289 Y290 A294 L295 L296 L305M287-A292 HydrophobicContact SD-CB 3.9Å; D288-A292 PolarHBondContact O-N 3.23Å; K289-A292 WeakPolarHBondContact O-CB 3.4Å; K289-A292 PolarHBondContact O-N 2.84Å; Y290-A292 VanDerWaalsContact C-N 3.31Å; A292-A294 VanDerWaalsContact C-N 3.32Å; A292-A294 PolarHBondContact O-N 3.49Å; A292-L295 PolarHBondContact O-N 2.91Å; A292-L296 WeakPolarHBondContact O-CB 3.32Å; A292-L296 VanDerWaalsContact O-CG 3.26Å; A292-L296 WeakPolarHBondContact O-CG 3.25Å; A292-L296 PolarHBondContact O-N 3.42Å; A292-L305 HydrophobicContact CB-CD1 4.07Å; A292-L305 HydrophobicContact CB-CD2 4.24Å
293E97.1Very high95.9Very high57 Ų5755.3 Ų55.327%0.26631%0.306SS..Hα-helixtrans-55.2-46.3173.5-75.2164.4-157.700111K289 Y290 L296 E297 H328K289-E293 IonicContact NZ-OE1 3.79Å; K289-E293 PolarHBondContact NZ-OE1 2.89Å; K289-E293 WeakPolarHBondContact O-CB 3.33Å; K289-E293 VanDerWaalsContact O-CG 3.26Å; K289-E293 WeakPolarHBondContact O-CG 3.34Å; K289-E293 PolarHBondContact O-N 2.83Å; Y290-E293 WeakPolarHBondContact CD1-OE2 3.38Å; Y290-E293 PolarHBondContact O-N 2.85Å; E293-L296 CarbonylContact O-C 3.56Å; E293-L296 PolarHBondContact O-N 3.32Å; E293-E297 PolarHBondContact O-N 3.2Å; E293-H328 IonicContact OE1-NE2 3.46Å; E293-H328 PolarHBondContact OE1-NE2 3.25Å
294A97.1Very high95.9Very high62 Ų6255.9 Ų55.951%0.51231%0.309SS..Hα-helixtrans-68.7-37.2178.900000113.8Y290 A291 A292 L296 E297Y290-A294 PolarHBondContact O-N 3.45Å; A291-A294 PolarHBondContact O-N 3.5Å; A292-A294 VanDerWaalsContact C-N 3.32Å; A292-A294 PolarHBondContact O-N 3.49Å; A294-L296 VanDerWaalsContact C-N 3.29Å; A294-L296 PolarHBondContact O-N 3.19Å; A294-E297 WeakPolarHBondContact O-CB 3.38Å; A294-E297 PolarHBondContact O-N 2.91Å
295L96.5Very high95.9Very high57 Ų5755 Ų5530%0.29831%0.305SS..Hα-helixtrans-69.5-27.6174.7-76172.4000113W284 M287 A291 A292 K299 L305 L377W284-L295 HydrophobicContact CD2-CD1 4.34Å; W284-L295 HydrophobicContact CE3-CD1 3.96Å; W284-L295 HydrophobicContact CH2-CD1 3.89Å; W284-L295 HydrophobicContact CH2-CD2 4.22Å; W284-L295 HydrophobicContact CZ2-CD1 4.27Å; W284-L295 HydrophobicContact CZ3-CD1 3.72Å; M287-L295 HydrophobicContact CE-CD1 3.4Å; M287-L295 VanDerWaalsContact CE-CD1 3.4Å; M287-L295 HydrophobicContact SD-CD1 4.03Å; A291-L295 WeakPolarHBondContact O-CB 3.29Å; A291-L295 WeakPolarHBondContact O-CG 3.34Å; A291-L295 PolarHBondContact O-N 2.96Å; A292-L295 PolarHBondContact O-N 2.91Å; L295-K299 WeakPolarHBondContact O-CE 3.45Å; L295-L305 HydrophobicContact CB-CD2 4.36Å; L295-L305 HydrophobicContact CD1-CD2 4.49Å; L295-L377 HydrophobicContact CB-CD2 3.9Å
296L96.4Very high96Very high0 Ų055 Ų550%031%0.305CS..THydrogen-bonded Turntrans-89.4-4.4175.6-65.7169000112.9A292 E293 A294 G298 K299 T303 L305 R321 L377A292-L296 WeakPolarHBondContact O-CB 3.32Å; A292-L296 VanDerWaalsContact O-CG 3.26Å; A292-L296 WeakPolarHBondContact O-CG 3.25Å; A292-L296 PolarHBondContact O-N 3.42Å; E293-L296 CarbonylContact O-C 3.56Å; E293-L296 PolarHBondContact O-N 3.32Å; A294-L296 VanDerWaalsContact C-N 3.29Å; A294-L296 PolarHBondContact O-N 3.19Å; L296-G298 PolarHBondContact O-N 2.61Å; L296-K299 WeakPolarHBondContact O-CB 3.5Å; L296-K299 WeakPolarHBondContact O-CG 3.47Å; L296-K299 PolarHBondContact O-N 3.19Å; L296-T303 HydrophobicContact CD2-CG2 3.79Å; L296-L305 HydrophobicContact CD1-CD2 4.4Å; L296-L305 HydrophobicContact CD2-CD2 4.45Å; L296-L305 HydrophobicContact CG-CD2 4.21Å; L296-R321 WeakPolarHBondContact O-CD 3.28Å; L296-R321 PolarHBondContact O-NH1 2.84Å; L296-R321 VanDerWaalsContact O-NH1 3.14Å; L296-L377 HydrophobicContact CD2-CD2 4.47Å
297E95.9Very high96.1Very high149 Ų14949.2 Ų49.270%0.69627%0.269SS*.THydrogen-bonded Turntrans-64.9136.3177.4-166.6167.8-158.300111.3E293 A294 K299E293-E297 PolarHBondContact O-N 3.2Å; A294-E297 WeakPolarHBondContact O-CB 3.38Å; A294-E297 PolarHBondContact O-N 2.91Å; E297-K299 PolarHBondContact O-N 3.12Å
298G93.4Very high96.2Very high67 Ų6748.4 Ų48.469%0.69127%0.265SS*.THydrogen-bonded Turntrans66.41.3-177.400000116.4L296L296-G298 PolarHBondContact O-N 2.61Å
299K95.9Very high96.2Very high86 Ų8646.5 Ų46.537%0.37426%0.257SS..PPolyproline II helixtrans-74.7159.1-180-57.7-58.8-179-179.80112.6L295 L296 E297 T303 R321L295-K299 WeakPolarHBondContact O-CE 3.45Å; L296-K299 WeakPolarHBondContact O-CB 3.5Å; L296-K299 WeakPolarHBondContact O-CG 3.47Å; L296-K299 PolarHBondContact O-N 3.19Å; E297-K299 PolarHBondContact O-N 3.12Å; K299-T303 HydrophobicContact CB-CG2 3.97Å; K299-T303 HydrophobicContact CG-CG2 4.17Å; K299-R321 WeakPolarHBondContact O-CD 3.38Å; K299-R321 PolarHBondContact O-NE 3.07Å
300P95.4Very high96Very high84 Ų8447 Ų4755%0.54528%0.275SS..PPolyproline II helixtrans-67.2161.2171.427-32.9000112.2T303P300-T303 WeakPolarHBondContact CD-OG1 3.29Å; P300-T303 WeakPolarHBondContact CG-OG1 3.07Å; P300-T303 WeakPolarHBondContact O-CB 3.48Å; P300-T303 PolarHBondContact O-N 3.07Å; P300-T303 PolarHBondContact O-OG1 2.85Å
301E93.8Very high95.8Very high82 Ų8244.2 Ų44.238%0.38327%0.267SS..THydrogen-bonded Turntrans-60.3143.2172.5-171.6129.2168.300111.3T303 R321 R322 Y323 L372E301-T303 VanDerWaalsContact C-N 3.27Å; E301-T303 PolarHBondContact O-N 3.42Å; E301-R321 CarbonylContact C-O 3.56Å; E301-R321 WeakPolarHBondContact CA-O 3.07Å; E301-R322 HydrophobicContact CG-CG 4.31Å; E301-R322 WeakPolarHBondContact OE1-CG 3.38Å; E301-Y323 PolarHBondContact OE1-N 3.15Å; E301-Y323 WeakPolarHBondContact OE2-CA 3.35Å; E301-Y323 PolarHBondContact OE2-N 2.84Å; E301-L372 HydrophobicContact CG-CD2 4.3Å
302G93.3Very high95.3Very high0 Ų050.6 Ų50.60%029%0.291CS..THydrogen-bonded Turntrans80.7-1.4-173.900000114.8F304 R321 L372 S374 T375G302-F304 PolarHBondContact O-N 3.21Å; G302-R321 PolarHBondContact N-O 3.03Å; G302-L372 WeakPolarHBondContact CA-O 3.48Å; G302-S374 WeakPolarHBondContact CA-OG 3.49Å; G302-S374 PolarHBondContact O-N 3.17Å; G302-S374 PolarHBondContact O-OG 3.31Å; G302-T375 PolarHBondContact O-N 2.86Å
303T96.7Very high94.9Very high5 Ų556.6 Ų56.63%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-68.8127.1170.8-51.40000110.1L296 K299 P300 E301 F320 R321 T375 L377L296-T303 HydrophobicContact CD2-CG2 3.79Å; K299-T303 HydrophobicContact CB-CG2 3.97Å; K299-T303 HydrophobicContact CG-CG2 4.17Å; P300-T303 WeakPolarHBondContact CD-OG1 3.29Å; P300-T303 WeakPolarHBondContact CG-OG1 3.07Å; P300-T303 WeakPolarHBondContact O-CB 3.48Å; P300-T303 PolarHBondContact O-N 3.07Å; P300-T303 PolarHBondContact O-OG1 2.85Å; E301-T303 VanDerWaalsContact C-N 3.27Å; E301-T303 PolarHBondContact O-N 3.42Å; T303-F320 CarbonylContact O-C 3.58Å; T303-F320 VanDerWaalsContact O-CA 3.28Å; T303-F320 WeakPolarHBondContact O-CA 3.46Å; T303-R321 PolarHBondContact O-N 2.92Å; T303-T375 CarbonylContact C-O 3.58Å; T303-T375 VanDerWaalsContact CA-O 3.29Å; T303-T375 WeakPolarHBondContact CA-O 3.49Å; T303-L377 HydrophobicContact CG2-CB 4.08Å; T303-L377 HydrophobicContact CG2-CD1 4.35Å
304F97.3Very high94.7Very high13 Ų1356.8 Ų56.86%0.05732%0.321CS..EExtended strand (participates in β ladder)trans-140.6162.5-178.881.8-78.1000114.1C282 G302 V318 S319 F320 L357 L373 T375 P376 L377C282-F304 HydrophobicContact CB-CE2 4.17Å; C282-F304 HydrophobicContact CB-CZ 4.31Å; G302-F304 PolarHBondContact O-N 3.21Å; F304-V318 HydrophobicContact CB-CG1 4.33Å; F304-V318 HydrophobicContact CD2-CG1 4.02Å; F304-S319 CarbonylContact C-O 3.57Å; F304-S319 VanDerWaalsContact CA-O 3.25Å; F304-S319 WeakPolarHBondContact CA-O 2.97Å; F304-F320 HydrophobicContact CB-CB 3.69Å; F304-L357 HydrophobicContact CE2-CD2 4.25Å; F304-L373 HydrophobicContact CB-CD2 3.65Å; F304-L373 VanDerWaalsContact CD1-C 3.46Å; F304-L373 HydrophobicContact CD1-CB 3.75Å; F304-L373 HydrophobicContact CD1-CD2 4.47Å; F304-L373 WeakPolarHBondContact CD1-O 3.28Å; F304-L373 HydrophobicContact CD2-CB 4.16Å; F304-L373 HydrophobicContact CD2-CD2 4.04Å; F304-L373 HydrophobicContact CD2-CG 4.48Å; F304-L373 HydrophobicContact CE1-CB 3.92Å; F304-L373 WeakPolarHBondContact CE1-O 3.36Å; F304-L373 HydrophobicContact CE2-CB 4.3Å; F304-L373 HydrophobicContact CG-CB 3.88Å; F304-L373 HydrophobicContact CG-CD2 3.81Å; F304-L373 HydrophobicContact CG-CG 4.38Å; F304-L373 HydrophobicContact CZ-CB 4.18Å; F304-T375 WeakPolarHBondContact CD1-O 3.24Å; F304-T375 PolarHBondContact N-O 3.29Å; F304-P376 HydrophobicContact CE1-CB 3.84Å; F304-P376 HydrophobicContact CZ-CB 3.99Å; F304-L377 WeakPolarHBondContact O-CB 3.39Å; F304-L377 PolarHBondContact O-N 2.66Å
305L97.5Very high94.6Very high0 Ų055.9 Ų55.90%031%0.308CS..EExtended strand (participates in β ladder)trans-142.3147.3168.86491.9000110.8M287 A292 L295 L296 R307 S319 L377M287-L305 HydrophobicContact SD-CD1 3.97Å; M287-L305 HydrophobicContact SD-CD2 4.46Å; A292-L305 HydrophobicContact CB-CD1 4.07Å; A292-L305 HydrophobicContact CB-CD2 4.24Å; L295-L305 HydrophobicContact CB-CD2 4.36Å; L295-L305 HydrophobicContact CD1-CD2 4.49Å; L296-L305 HydrophobicContact CD1-CD2 4.4Å; L296-L305 HydrophobicContact CD2-CD2 4.45Å; L296-L305 HydrophobicContact CG-CD2 4.21Å; L305-R307 HydrophobicContact CD1-CB 4.03Å; L305-R307 HydrophobicContact CD1-CG 3.95Å; L305-S319 PolarHBondContact N-O 3.24Å; L305-S319 PolarHBondContact O-N 2.87Å; L305-L377 HydrophobicContact CB-CB 4.43Å; L305-L377 HydrophobicContact CD2-CD2 3.92Å
306L97.8Very high94.6Very high1 Ų153.2 Ų53.21%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-94.3136.9168.5-175.872.7000109.1I277 C282 Y283 W284 F316 V318 I331 I353 L357I277-L306 HydrophobicContact CG2-CD2 3.78Å; C282-L306 PolarHBondContact O-N 2.82Å; Y283-L306 WeakPolarHBondContact CA-O 3.21Å; Y283-L306 HydrophobicContact CD2-CB 4.26Å; Y283-L306 HydrophobicContact CD2-CD2 3.79Å; Y283-L306 HydrophobicContact CD2-CG 3.91Å; Y283-L306 HydrophobicContact CG-CD2 4.39Å; W284-L306 PolarHBondContact N-O 3.19Å; L306-F316 HydrophobicContact CD1-CB 4.13Å; L306-V318 HydrophobicContact CD1-CG2 3.8Å; L306-I331 HydrophobicContact CD1-CD1 3.75Å; L306-I353 HydrophobicContact CD2-CG2 4.31Å; L306-L357 HydrophobicContact CD2-CD1 4.22Å
307R97.2Very high94.6Very high10 Ų1053.4 Ų53.44%0.03830%0.295CS..EExtended strand (participates in β ladder)trans-144.4165.7174.956.6176.5-171.572.510110.7M287 D288 L305 F316 S317 S319M287-R307 HydrophobicContact CB-CB 3.96Å; M287-R307 WeakPolarHBondContact O-CD 3.39Å; M287-R307 PolarHBondContact O-NH1 3.07Å; M287-R307 VanDerWaalsContact O-NH1 3.07Å; D288-R307 PolarHBondContact O-NE 2.93Å; L305-R307 HydrophobicContact CD1-CB 4.03Å; L305-R307 HydrophobicContact CD1-CG 3.95Å; R307-F316 CarbonylContact O-C 3.49Å; R307-F316 WeakPolarHBondContact O-CA 3.36Å; R307-S317 VanDerWaalsContact CG-O 3.32Å; R307-S317 WeakPolarHBondContact CG-O 3.44Å; R307-S317 PolarHBondContact N-O 2.6Å; R307-S317 PolarHBondContact O-N 3.03Å; R307-S319 PolarHBondContact NE-OG 3.39Å
308D96.8Very high94.7Very high13 Ų1346.3 Ų46.37%0.0726%0.262CS..EExtended strand (participates in β ladder)trans-66.5149.6170.2-59.8-6.3000109.4Y283 G285 V286 L315 F316 Y418Y283-D308 WeakPolarHBondContact CE2-OD1 3.27Å; Y283-D308 VanDerWaalsContact CZ-OD1 3.31Å; Y283-D308 PolarHBondContact OH-OD1 2.79Å; G285-D308 PolarHBondContact O-N 2.71Å; V286-D308 WeakPolarHBondContact CG2-OD2 3.35Å; V286-D308 PolarHBondContact N-OD2 3.31Å; D308-L315 CarbonylContact C-O 3.44Å; D308-L315 WeakPolarHBondContact CA-O 3.47Å; D308-F316 WeakPolarHBondContact OD1-CE1 3.22Å; D308-Y418 PolarHBondContact OD2-OH 2.86Å
309S95.6Very high94.9Very high27 Ų2743.1 Ų43.119%0.18923%0.229CC..  trans-76.7157.9175.1-158.50000111.4Q311 Y314 L315 S317S309-Q311 PolarHBondContact OG-N 2.43Å; S309-Y314 WeakPolarHBondContact CB-O 2.96Å; S309-L315 PolarHBondContact N-O 3.2Å; S309-S317 PolarHBondContact OG-OG 2.67Å
310A91.8Very high94.9Very high87 Ų8739.4 Ų39.472%0.71921%0.213SC*.SBendtrans-98.416.8170.800000112.2
311Q91.8Very high94.9Very high89 Ų8937.2 Ų37.242%0.41619%0.194SC..SBendtrans-124.4136.9179.1-70.9-168.8-21.500110.2S309 D313 Y314S309-Q311 PolarHBondContact OG-N 2.43Å; Q311-D313 VanDerWaalsContact C-N 3.25Å; Q311-D313 PolarHBondContact O-N 2.64Å; Q311-Y314 HydrophobicContact CB-CD2 4.02Å; Q311-Y314 PolarHBondContact O-N 3.33Å
312E87.2Confident94.9Very high174 Ų17434.3 Ų34.381%0.81318%0.179SC*.THydrogen-bonded Turntrans-67.8-19.7-168.7-57-173.917400114.5
313D89.1Confident94.9Very high126 Ų12640.3 Ų40.367%0.67420%0.202SC*.THydrogen-bonded Turntrans-91.5-7.6179.9-66.3-56.6000114.7Q311 K421Q311-D313 VanDerWaalsContact C-N 3.25Å; Q311-D313 PolarHBondContact O-N 2.64Å; D313-K421 IonicContact OD1-NZ 2.62Å; D313-K421 PolarHBondContact OD1-NZ 3.38Å
314Y93.4Very high94.7Very high61 Ų6144.5 Ų44.524%0.23923%0.232CC..  trans-126.1129.3-178.5-55.2-90.8000110S309 Q311 R330 E332S309-Y314 WeakPolarHBondContact CB-O 2.96Å; Q311-Y314 HydrophobicContact CB-CD2 4.02Å; Q311-Y314 PolarHBondContact O-N 3.33Å; Y314-R330 HydrophobicContact CD1-CB 3.72Å; Y314-R330 HydrophobicContact CD1-CG 4.46Å; Y314-R330 VanDerWaalsContact CD2-CD 3.45Å; Y314-R330 HydrophobicContact CE1-CB 4.1Å; Y314-R330 HydrophobicContact CG-CB 4.06Å; Y314-R330 HydrophobicContact CG-CG 4.42Å; Y314-E332 HydrophobicContact CD1-CG 4.4Å; Y314-E332 HydrophobicContact CE1-CG 3.9Å; Y314-E332 WeakPolarHBondContact CE1-OE1 3.48Å; Y314-E332 PolarHBondContact OH-OE1 2.94Å
315L94.2Very high94.5Very high42 Ų4252.5 Ų52.522%0.2226%0.262CS..SBendtrans-74.6-40.1177.4-64.9179.9000112.4V271 D308 S309 Y418V271-L315 HydrophobicContact CG2-CD1 3.22Å; D308-L315 CarbonylContact C-O 3.44Å; D308-L315 WeakPolarHBondContact CA-O 3.47Å; S309-L315 PolarHBondContact N-O 3.2Å; L315-Y418 HydrophobicContact CD2-CD1 4.49Å
316F96.6Very high94.4Very high2 Ų254.1 Ų54.11%0.00927%0.273CS..EExtended strand (participates in β ladder)trans-131.4159.5-169.6-57-70.2000112.9V271 L274 I277 Y283 L306 R307 D308 I331 I353 Y418V271-F316 HydrophobicContact CG1-CE2 4.24Å; V271-F316 HydrophobicContact CG2-CE2 4.05Å; L274-F316 HydrophobicContact CD1-CZ 4.24Å; I277-F316 HydrophobicContact CD1-CE2 4.15Å; I277-F316 HydrophobicContact CD1-CZ 4.18Å; I277-F316 HydrophobicContact CG2-CE1 4.49Å; Y283-F316 HydrophobicContact CE2-CD1 4.11Å; Y283-F316 AromaticContact CE2-CE1 3.89Å; Y283-F316 HydrophobicContact CE2-CE1 3.89Å; L306-F316 HydrophobicContact CD1-CB 4.13Å; R307-F316 CarbonylContact O-C 3.49Å; R307-F316 WeakPolarHBondContact O-CA 3.36Å; D308-F316 WeakPolarHBondContact OD1-CE1 3.22Å; F316-I331 HydrophobicContact CB-CB 4.39Å; F316-I331 HydrophobicContact CB-CD1 4.12Å; F316-I331 HydrophobicContact CB-CG1 4.41Å; F316-I331 PolarHBondContact O-N 3.5Å; F316-I331 VanDerWaalsContact O-N 3.15Å; F316-I353 HydrophobicContact CD2-CD1 3.41Å; F316-I353 VanDerWaalsContact CD2-CD1 3.41Å; F316-I353 HydrophobicContact CE2-CD1 3.63Å; F316-I353 HydrophobicContact CG-CD1 4.45Å; F316-Y418 HydrophobicContact CE1-CD1 4.36Å; F316-Y418 HydrophobicContact CE1-CE1 4.2Å; F316-Y418 HydrophobicContact CZ-CD1 4.11Å; F316-Y418 HydrophobicContact CZ-CE1 4.4Å
317S96.9Very high94.4Very high3 Ų357.2 Ų57.22%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-146.5135.3170.5-63.80000110.1R307 S309 A329R307-S317 VanDerWaalsContact CG-O 3.32Å; R307-S317 WeakPolarHBondContact CG-O 3.44Å; R307-S317 PolarHBondContact N-O 2.6Å; R307-S317 PolarHBondContact O-N 3.03Å; S309-S317 PolarHBondContact OG-OG 2.67Å; S317-A329 CarbonylContact C-O 3.6Å; S317-A329 VanDerWaalsContact CA-O 3.27Å; S317-A329 WeakPolarHBondContact CA-O 3.42Å
318V97.2Very high94.3Very high0 Ų059.9 Ų59.90%030%0.302CS..EExtended strand (participates in β ladder)trans-87.2134.2170.5-175.80000108.1F304 L306 F320 H328 A329 I331 F340 L357 L373F304-V318 HydrophobicContact CB-CG1 4.33Å; F304-V318 HydrophobicContact CD2-CG1 4.02Å; L306-V318 HydrophobicContact CD1-CG2 3.8Å; V318-F320 HydrophobicContact CG1-CD1 4.43Å; V318-H328 VanDerWaalsContact O-CA 3.29Å; V318-H328 WeakPolarHBondContact O-CA 3.46Å; V318-A329 PolarHBondContact N-O 3.45Å; V318-A329 PolarHBondContact O-N 3.44Å; V318-I331 HydrophobicContact CG2-CD1 4.08Å; V318-I331 HydrophobicContact CG2-CG1 4.31Å; V318-F340 HydrophobicContact CB-CE1 4.23Å; V318-F340 HydrophobicContact CB-CZ 4.43Å; V318-F340 HydrophobicContact CG2-CE1 3.82Å; V318-F340 HydrophobicContact CG2-CZ 3.9Å; V318-L357 HydrophobicContact CG2-CD2 3.6Å; V318-L373 HydrophobicContact CG1-CD1 4.14Å; V318-L373 HydrophobicContact CG1-CD2 3.49Å; V318-L373 VanDerWaalsContact CG1-CD2 3.49Å
319S97.4Very high94.2Very high0 Ų060.1 Ų60.10%031%0.306CS..EExtended strand (participates in β ladder)trans-116.8124.7172.3-53.10000107.7F304 L305 R307 L327 H328F304-S319 CarbonylContact C-O 3.57Å; F304-S319 VanDerWaalsContact CA-O 3.25Å; F304-S319 WeakPolarHBondContact CA-O 2.97Å; L305-S319 PolarHBondContact N-O 3.24Å; L305-S319 PolarHBondContact O-N 2.87Å; R307-S319 PolarHBondContact NE-OG 3.39Å; S319-L327 CarbonylContact C-O 3.54Å; S319-L327 WeakPolarHBondContact CA-O 3.37Å; S319-H328 VanDerWaalsContact CB-ND1 3.33Å; S319-H328 WeakPolarHBondContact CB-ND1 3.18Å; S319-H328 PolarHBondContact OG-ND1 2.9Å
320F96.8Very high94.2Very high9 Ų963.8 Ų63.84%0.03932%0.315CS..EExtended strand (participates in β ladder)trans-142.1162.4-170.266.2-81.9000111.7T303 F304 V318 R322 L327 A329 P371 L373T303-F320 CarbonylContact O-C 3.58Å; T303-F320 VanDerWaalsContact O-CA 3.28Å; T303-F320 WeakPolarHBondContact O-CA 3.46Å; F304-F320 HydrophobicContact CB-CB 3.69Å; V318-F320 HydrophobicContact CG1-CD1 4.43Å; F320-R322 HydrophobicContact CD2-CB 4.13Å; F320-R322 HydrophobicContact CE2-CB 3.98Å; F320-L327 HydrophobicContact CD1-CB 4.33Å; F320-L327 HydrophobicContact CD2-CB 4.34Å; F320-L327 HydrophobicContact CE1-CB 3.86Å; F320-L327 HydrophobicContact CE2-CB 3.88Å; F320-L327 HydrophobicContact CE2-CD1 3.79Å; F320-L327 HydrophobicContact CE2-CG 4.43Å; F320-L327 HydrophobicContact CZ-CB 3.61Å; F320-L327 HydrophobicContact CZ-CD1 3.96Å; F320-L327 HydrophobicContact CZ-CG 4.44Å; F320-L327 PolarHBondContact N-O 3.11Å; F320-L327 PolarHBondContact O-N 2.71Å; F320-A329 HydrophobicContact CE1-CB 4.27Å; F320-P371 HydrophobicContact CD1-CB 4.13Å; F320-P371 HydrophobicContact CE1-CB 3.84Å; F320-P371 HydrophobicContact CE1-CG 4.08Å; F320-P371 HydrophobicContact CE2-CB 4.34Å; F320-P371 HydrophobicContact CZ-CB 3.95Å; F320-P371 HydrophobicContact CZ-CG 4.22Å; F320-L373 HydrophobicContact CB-CD2 3.84Å; F320-L373 HydrophobicContact CD1-CD2 4.44Å; F320-L373 HydrophobicContact CG-CD2 4.16Å
321R95.7Very high94.4Very high38 Ų3860 Ų6014%0.14328%0.283CS..EExtended strand (participates in β ladder)trans-111.9118.1-179-173.8153.8175.4105.77.2111.3L296 K299 E301 G302 T303 S324 R325L296-R321 WeakPolarHBondContact O-CD 3.28Å; L296-R321 PolarHBondContact O-NH1 2.84Å; L296-R321 VanDerWaalsContact O-NH1 3.14Å; K299-R321 WeakPolarHBondContact O-CD 3.38Å; K299-R321 PolarHBondContact O-NE 3.07Å; E301-R321 CarbonylContact C-O 3.56Å; E301-R321 WeakPolarHBondContact CA-O 3.07Å; G302-R321 PolarHBondContact N-O 3.03Å; T303-R321 PolarHBondContact O-N 2.92Å; R321-S324 PolarHBondContact NH2-O 2.8Å; R321-R325 CarbonylContact C-O 3.59Å; R321-R325 VanDerWaalsContact CA-O 3.32Å; R321-R325 WeakPolarHBondContact CA-O 3.33Å
322R93.5Very high94.6Very high20 Ų2057.7 Ų57.78%0.07527%0.272CS..EExtended strand (participates in β ladder)trans-143.3145.5179-152.8179.5-175.2172.71.8110.6E301 F320 S324 R325 L327 M367 F368 E370E301-R322 HydrophobicContact CG-CG 4.31Å; E301-R322 WeakPolarHBondContact OE1-CG 3.38Å; F320-R322 HydrophobicContact CD2-CB 4.13Å; F320-R322 HydrophobicContact CE2-CB 3.98Å; R322-S324 PolarHBondContact O-N 3.32Å; R322-R325 PolarHBondContact N-O 3.26Å; R322-R325 PolarHBondContact O-N 2.69Å; R322-R325 VanDerWaalsContact O-O 3.07Å; R322-L327 HydrophobicContact CB-CD1 4.02Å; R322-M367 PolarHBondContact NH1-O 3.38Å; R322-M367 PolarHBondContact NH2-O 3.3Å; R322-F368 PolarHBondContact NH1-O 3.11Å; R322-E370 PolarHBondContact NH1-O 2.91Å
323Y92.5Very high94.8Very high126 Ų12651.5 Ų51.549%0.49424%0.243SC..THydrogen-bonded Turntrans50.241-176.1-50.8-60.8000113.5E301 R325 F368E301-Y323 PolarHBondContact OE1-N 3.15Å; E301-Y323 WeakPolarHBondContact OE2-CA 3.35Å; E301-Y323 PolarHBondContact OE2-N 2.84Å; Y323-R325 PolarHBondContact O-N 3.13Å; Y323-R325 VanDerWaalsContact O-N 3.11Å; Y323-F368 WeakPolarHBondContact CE2-O 3.49Å; Y323-F368 PolarHBondContact OH-O 3.19Å
324S91.6Very high94.8Very high93 Ų9351.4 Ų51.465%0.6523%0.234SC*.THydrogen-bonded Turntrans57.811.5-172.2-63.60000116.7R321 R322R321-S324 PolarHBondContact NH2-O 2.8Å; R322-S324 PolarHBondContact O-N 3.32Å
325R94.1Very high94.5Very high181 Ų18153 Ų5368%0.68325%0.246SC*.EExtended strand (participates in β ladder)trans-110150.3177.4-64.1177.6-177.8-125.4-0.3111.1R321 R322 Y323 L327R321-R325 CarbonylContact C-O 3.59Å; R321-R325 VanDerWaalsContact CA-O 3.32Å; R321-R325 WeakPolarHBondContact CA-O 3.33Å; R322-R325 PolarHBondContact N-O 3.26Å; R322-R325 PolarHBondContact O-N 2.69Å; R322-R325 VanDerWaalsContact O-O 3.07Å; Y323-R325 PolarHBondContact O-N 3.13Å; Y323-R325 VanDerWaalsContact O-N 3.11Å; R325-L327 HydrophobicContact CB-CD2 4.49Å
326S96.4Very high94.3Very high35 Ų3555 Ų5525%0.24526%0.255CS..EExtended strand (participates in β ladder)trans-82.4129.9164.6-57.10000108.7
327L95.9Very high94.1Very high66 Ų6657 Ų5735%0.34627%0.265SS..EExtended strand (participates in β ladder)trans-128.1160.8-178.1-62.7178.1000109.8S319 F320 R322 R325S319-L327 CarbonylContact C-O 3.54Å; S319-L327 WeakPolarHBondContact CA-O 3.37Å; F320-L327 HydrophobicContact CD1-CB 4.33Å; F320-L327 HydrophobicContact CD2-CB 4.34Å; F320-L327 HydrophobicContact CE1-CB 3.86Å; F320-L327 HydrophobicContact CE2-CB 3.88Å; F320-L327 HydrophobicContact CE2-CD1 3.79Å; F320-L327 HydrophobicContact CE2-CG 4.43Å; F320-L327 HydrophobicContact CZ-CB 3.61Å; F320-L327 HydrophobicContact CZ-CD1 3.96Å; F320-L327 HydrophobicContact CZ-CG 4.44Å; F320-L327 PolarHBondContact N-O 3.11Å; F320-L327 PolarHBondContact O-N 2.71Å; R322-L327 HydrophobicContact CB-CD1 4.02Å; R325-L327 HydrophobicContact CB-CD2 4.49Å
328H95.9Very high94Very high66 Ų6657.1 Ų57.131%0.30627%0.265SS..EExtended strand (participates in β ladder)trans-137.7135.5178.6-47.4-79.1000110.7E293 V318 S319E293-H328 IonicContact OE1-NE2 3.46Å; E293-H328 PolarHBondContact OE1-NE2 3.25Å; V318-H328 VanDerWaalsContact O-CA 3.29Å; V318-H328 WeakPolarHBondContact O-CA 3.46Å; S319-H328 VanDerWaalsContact CB-ND1 3.33Å; S319-H328 WeakPolarHBondContact CB-ND1 3.18Å; S319-H328 PolarHBondContact OG-ND1 2.9Å
329A95.5Very high93.9Very high17 Ų1757.4 Ų57.414%0.1427%0.267CS..EExtended strand (participates in β ladder)trans-119.6139.6168.600000108.8S317 V318 F320 F340 P371S317-A329 CarbonylContact C-O 3.6Å; S317-A329 VanDerWaalsContact CA-O 3.27Å; S317-A329 WeakPolarHBondContact CA-O 3.42Å; V318-A329 PolarHBondContact N-O 3.45Å; V318-A329 PolarHBondContact O-N 3.44Å; F320-A329 HydrophobicContact CE1-CB 4.27Å; A329-F340 HydrophobicContact CB-CD1 3.47Å; A329-F340 VanDerWaalsContact CB-CD1 3.47Å; A329-F340 HydrophobicContact CB-CE1 3.8Å; A329-F340 HydrophobicContact CB-CG 4.18Å; A329-P371 HydrophobicContact CB-CG 3.91Å
330R95.8Very high93.7Very high104 Ų10458.9 Ų58.939%0.39227%0.274SS..EExtended strand (participates in β ladder)trans-88.5145.2173.1-54.4-169.4-159.7107.63.7108.4Y314 F340Y314-R330 HydrophobicContact CD1-CB 3.72Å; Y314-R330 HydrophobicContact CD1-CG 4.46Å; Y314-R330 VanDerWaalsContact CD2-CD 3.45Å; Y314-R330 HydrophobicContact CE1-CB 4.1Å; Y314-R330 HydrophobicContact CG-CB 4.06Å; Y314-R330 HydrophobicContact CG-CG 4.42Å; R330-F340 WeakPolarHBondContact O-CD1 3.34Å
331I95.7Very high93.4Very high9 Ų961.6 Ų61.65%0.04629%0.289CS..  trans-88.6114172.2-58.2-176000107L306 F316 V318 F338 F340 I353 L356L306-I331 HydrophobicContact CD1-CD1 3.75Å; F316-I331 HydrophobicContact CB-CB 4.39Å; F316-I331 HydrophobicContact CB-CD1 4.12Å; F316-I331 HydrophobicContact CB-CG1 4.41Å; F316-I331 PolarHBondContact O-N 3.5Å; F316-I331 VanDerWaalsContact O-N 3.15Å; V318-I331 HydrophobicContact CG2-CD1 4.08Å; V318-I331 HydrophobicContact CG2-CG1 4.31Å; I331-F338 HydrophobicContact CG2-CB 3.86Å; I331-F338 HydrophobicContact CG2-CD1 4.01Å; I331-F338 HydrophobicContact CG2-CG 4.32Å; I331-F340 HydrophobicContact CG1-CD1 4.46Å; I331-F340 HydrophobicContact CG1-CE1 3.9Å; I331-I353 HydrophobicContact CD1-CG2 3.76Å; I331-I353 HydrophobicContact CG2-CD1 4.31Å; I331-I353 HydrophobicContact CG2-CG1 4.29Å; I331-L356 HydrophobicContact CD1-CD2 4.37Å; I331-L356 HydrophobicContact CG1-CD2 4.34Å; I331-L356 HydrophobicContact CG2-CD2 3.89Å
332E94.7Very high92.9Very high39 Ų3960.1 Ų60.118%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-90.4167.5177.7-48.6-148.113900110.2Y314 F338 S339 A342Y314-E332 HydrophobicContact CD1-CG 4.4Å; Y314-E332 HydrophobicContact CE1-CG 3.9Å; Y314-E332 WeakPolarHBondContact CE1-OE1 3.48Å; Y314-E332 PolarHBondContact OH-OE1 2.94Å; E332-F338 VanDerWaalsContact O-CA 3.32Å; E332-F338 WeakPolarHBondContact O-CA 3.27Å; E332-S339 PolarHBondContact N-O 3.46Å; E332-S339 PolarHBondContact O-N 3.28Å; E332-A342 HydrophobicContact CB-CB 3.51Å; E332-A342 HydrophobicContact CG-CB 4.49Å; E332-A342 WeakPolarHBondContact OE2-CB 3.41Å; E332-A342 PolarHBondContact OE2-N 2.01Å
333Q91.5Very high92.3Very high44 Ų4466.2 Ų66.221%0.20631%0.313CS..EExtended strand (participates in β ladder)trans-141.4125.5-177.4-173.4-77.2-60.300110.9H336 N337 F338 Y420Q333-H336 VanDerWaalsContact NE2-N 3.13Å; Q333-N337 WeakPolarHBondContact CA-O 3.37Å; Q333-F338 HydrophobicContact CB-CD1 3.96Å; Q333-F338 HydrophobicContact CB-CE1 4Å; Q333-F338 HydrophobicContact CG-CD1 3.98Å; Q333-F338 HydrophobicContact CG-CE1 3.69Å; Q333-F338 HydrophobicContact CG-CZ 4.29Å; Q333-Y420 HydrophobicContact CG-CD1 4.33Å; Q333-Y420 HydrophobicContact CG-CD2 3.7Å; Q333-Y420 HydrophobicContact CG-CE2 4.17Å; Q333-Y420 HydrophobicContact CG-CG 3.75Å
334W89.4Confident92Very high124 Ų12463.4 Ų63.447%0.4731%0.307SS..EExtended strand (participates in β ladder)trans-148.3143.6173.1179.352.3000111H336 N337 A342W334-H336 PolarHBondContact O-N 3.35Å; W334-H336 VanDerWaalsContact O-N 3.1Å; W334-N337 PolarHBondContact N-O 2.86Å; W334-N337 WeakPolarHBondContact O-CA 3.34Å; W334-N337 PolarHBondContact O-N 3.45Å; W334-N337 VanDerWaalsContact O-O 3.1Å; W334-A342 HydrophobicContact CB-CB 3.89Å; W334-A342 VanDerWaalsContact CE3-O 3.32Å
335N87.1Confident91.6Very high94 Ų9463.9 Ų63.950%0.50331%0.308SS..THydrogen-bonded Turntrans47.639.2-179.1-60.3-20.2000115N337N335-N337 PolarHBondContact O-N 3.09Å
336H89.5Confident91.1Very high86 Ų8660.6 Ų60.640%0.39831%0.311SS..THydrogen-bonded Turntrans63.85-174-57.6-87.7000116.4Q333 W334 Y420 S422Q333-H336 VanDerWaalsContact NE2-N 3.13Å; W334-H336 PolarHBondContact O-N 3.35Å; W334-H336 VanDerWaalsContact O-N 3.1Å; H336-Y420 AromaticContact ND1-CE2 3.55Å; H336-Y420 AromaticContact ND1-CZ 3.69Å; H336-Y420 PolarHBondContact ND1-OH 2.78Å; H336-S422 PolarHBondContact CE1-OG 3.24Å; H336-S422 PolarHBondContact NE2-OG 2.88Å
337N92.9Very high90.8Very high42 Ų4259.9 Ų59.923%0.22531%0.306CS..EExtended strand (participates in β ladder)trans-96.2161.4168.5-59.3-28.2000111.3Q333 W334 N335 H349 S350Q333-N337 WeakPolarHBondContact CA-O 3.37Å; W334-N337 PolarHBondContact N-O 2.86Å; W334-N337 WeakPolarHBondContact O-CA 3.34Å; W334-N337 PolarHBondContact O-N 3.45Å; W334-N337 VanDerWaalsContact O-O 3.1Å; N335-N337 PolarHBondContact O-N 3.09Å; N337-H349 HydrophobicContact CB-CB 4.08Å; N337-H349 PolarHBondContact ND2-CE1 3.02Å; N337-H349 PolarHBondContact ND2-ND1 3.01Å; N337-S350 CarbonylContact C-O 3.48Å; N337-S350 WeakPolarHBondContact CA-O 3.43Å
338F94.8Very high90.5Very high6 Ų660.2 Ų60.23%0.02631%0.305CS..EExtended strand (participates in β ladder)trans-119.7140.6175.1-59.4-82.1000110.8P272 I331 E332 Q333 H349 S350 P351 I353 L356 Y420P272-F338 HydrophobicContact CG-CE2 4.36Å; I331-F338 HydrophobicContact CG2-CB 3.86Å; I331-F338 HydrophobicContact CG2-CD1 4.01Å; I331-F338 HydrophobicContact CG2-CG 4.32Å; E332-F338 VanDerWaalsContact O-CA 3.32Å; E332-F338 WeakPolarHBondContact O-CA 3.27Å; Q333-F338 HydrophobicContact CB-CD1 3.96Å; Q333-F338 HydrophobicContact CB-CE1 4Å; Q333-F338 HydrophobicContact CG-CD1 3.98Å; Q333-F338 HydrophobicContact CG-CE1 3.69Å; Q333-F338 HydrophobicContact CG-CZ 4.29Å; F338-H349 CarbonylContact O-C 3.56Å; F338-H349 VanDerWaalsContact O-CA 3.31Å; F338-H349 WeakPolarHBondContact O-CA 3.48Å; F338-S350 PolarHBondContact N-O 3.36Å; F338-S350 PolarHBondContact O-N 3.22Å; F338-P351 WeakPolarHBondContact CD2-O 3.45Å; F338-P351 WeakPolarHBondContact CE2-O 3.34Å; F338-I353 HydrophobicContact CB-CG1 4.19Å; F338-I353 HydrophobicContact CD1-CD1 4.07Å; F338-I353 HydrophobicContact CD1-CG1 4.01Å; F338-I353 HydrophobicContact CD2-CG1 3.88Å; F338-I353 HydrophobicContact CE1-CD1 4.09Å; F338-I353 HydrophobicContact CE1-CG1 4.36Å; F338-I353 HydrophobicContact CE2-CG1 4.25Å; F338-I353 HydrophobicContact CG-CD1 4.32Å; F338-I353 HydrophobicContact CG-CG1 3.75Å; F338-I353 HydrophobicContact CZ-CD1 4.38Å; F338-I353 HydrophobicContact CZ-CG1 4.47Å; F338-L356 HydrophobicContact CB-CD2 4.29Å; F338-Y420 HydrophobicContact CE1-CD1 4.23Å; F338-Y420 AromaticContact CZ-CD1 3.88Å; F338-Y420 HydrophobicContact CZ-CD1 3.88Å; F338-Y420 AromaticContact CZ-CE1 3.83Å; F338-Y420 HydrophobicContact CZ-CE1 3.83Å
339S94.3Very high90.4Very high6 Ų661.5 Ų61.54%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-153.5178.2-179.454.60000110.7E332 D341 F348E332-S339 PolarHBondContact N-O 3.46Å; E332-S339 PolarHBondContact O-N 3.28Å; S339-D341 WeakPolarHBondContact CB-O 3.43Å; S339-D341 VanDerWaalsContact OG-C 3.24Å; S339-D341 PolarHBondContact OG-O 3.16Å; S339-F348 WeakPolarHBondContact CB-O 3.35Å
340F93.4Very high90.3Very high31 Ų3161.3 Ų61.314%0.13631%0.308CS..SBendtrans-93-12.6172.3-67.3-61.6000114V318 A329 R330 I331 L356 Y360 P371 L373V318-F340 HydrophobicContact CB-CE1 4.23Å; V318-F340 HydrophobicContact CB-CZ 4.43Å; V318-F340 HydrophobicContact CG2-CE1 3.82Å; V318-F340 HydrophobicContact CG2-CZ 3.9Å; A329-F340 HydrophobicContact CB-CD1 3.47Å; A329-F340 VanDerWaalsContact CB-CD1 3.47Å; A329-F340 HydrophobicContact CB-CE1 3.8Å; A329-F340 HydrophobicContact CB-CG 4.18Å; R330-F340 WeakPolarHBondContact O-CD1 3.34Å; I331-F340 HydrophobicContact CG1-CD1 4.46Å; I331-F340 HydrophobicContact CG1-CE1 3.9Å; F340-L356 HydrophobicContact CD2-CD1 4.27Å; F340-L356 HydrophobicContact CE1-CD2 4.45Å; F340-L356 HydrophobicContact CE2-CD1 4.15Å; F340-L356 HydrophobicContact CE2-CD2 4.28Å; F340-L356 HydrophobicContact CE2-CG 4.06Å; F340-L356 HydrophobicContact CZ-CD2 4.21Å; F340-L356 HydrophobicContact CZ-CG 4.3Å; F340-Y360 AromaticContact CD2-CD2 3.84Å; F340-Y360 HydrophobicContact CD2-CD2 3.84Å; F340-Y360 AromaticContact CD2-CE2 3.62Å; F340-Y360 HydrophobicContact CD2-CE2 3.62Å; F340-Y360 AromaticContact CE2-CD2 3.46Å; F340-Y360 HydrophobicContact CE2-CD2 3.46Å; F340-Y360 VanDerWaalsContact CE2-CD2 3.46Å; F340-Y360 AromaticContact CE2-CE2 3.76Å; F340-Y360 HydrophobicContact CE2-CE2 3.76Å; F340-Y360 HydrophobicContact CE2-CG 4.05Å; F340-P371 HydrophobicContact CD1-CG 4.3Å; F340-P371 HydrophobicContact CD2-CG 3.67Å; F340-P371 HydrophobicContact CE1-CG 4.32Å; F340-P371 HydrophobicContact CE2-CB 4.17Å; F340-P371 HydrophobicContact CE2-CG 3.68Å; F340-P371 HydrophobicContact CG-CG 3.99Å; F340-P371 HydrophobicContact CZ-CB 4.39Å; F340-P371 HydrophobicContact CZ-CG 4.03Å; F340-L373 HydrophobicContact CZ-CD1 4.26Å
341D90.9Very high90.2Very high67 Ų6759.9 Ų59.936%0.35831%0.312SS..  trans-139.5123.5164.2-173.6-51.9000106.3S339 H343 D344 V347S339-D341 WeakPolarHBondContact CB-O 3.43Å; S339-D341 VanDerWaalsContact OG-C 3.24Å; S339-D341 PolarHBondContact OG-O 3.16Å; D341-H343 WeakPolarHBondContact OD1-CA 3.46Å; D341-H343 PolarHBondContact OD1-N 3.43Å; D341-D344 PolarHBondContact OD1-N 3.45Å; D341-V347 HydrophobicContact CB-CB 4.47Å; D341-V347 HydrophobicContact CB-CG1 4.38Å; D341-V347 HydrophobicContact CB-CG2 4.2Å
342A85Confident90.1Very high6 Ų662.1 Ų62.15%0.0532%0.324CS..SBendtrans-95.28.9-178.300000113.9E332 W334E332-A342 HydrophobicContact CB-CB 3.51Å; E332-A342 HydrophobicContact CG-CB 4.49Å; E332-A342 WeakPolarHBondContact OE2-CB 3.41Å; E332-A342 PolarHBondContact OE2-N 2.01Å; W334-A342 HydrophobicContact CB-CB 3.89Å; W334-A342 VanDerWaalsContact CE3-O 3.32Å
343H81.6Confident90.1Very high148 Ų14860.3 Ų60.369%0.68532%0.316SS*.SBendtrans-122.7-23.6-176.1-67.3-15.2000113.5D341 P345D341-H343 WeakPolarHBondContact OD1-CA 3.46Å; D341-H343 PolarHBondContact OD1-N 3.43Å; H343-P345 WeakPolarHBondContact O-CD 3.39Å
344D86.8Confident90.2Very high68 Ų6860 Ų6036%0.36432%0.317SS..  trans-85.2112.9166.5-171.8-2000111.7D341 C346 V347D341-D344 PolarHBondContact OD1-N 3.45Å; D344-C346 PolarHBondContact O-N 2.87Å; D344-C346 WeakPolarHBondContact OD1-CB 3.42Å; D344-C346 PolarHBondContact OD1-N 3.1Å; D344-C346 PolarHBondContact OD1-SG 3.12Å; D344-V347 HydrophobicContact CB-CG2 3.96Å; D344-V347 PolarHBondContact O-N 3.03Å
345P82.5Confident90.4Very high102 Ų10255.3 Ų55.366%0.66231%0.307SS*.THydrogen-bonded Turntrans-70.6-6.6175.832.5-37.5000113.9H343H343-P345 WeakPolarHBondContact O-CD 3.39Å
346C84.4Confident90.8Very high112 Ų11250.8 Ų50.876%0.75728%0.283SS*.THydrogen-bonded Turntrans-82.3-18.9174.4-50.80000112.9D344D344-C346 PolarHBondContact O-N 2.87Å; D344-C346 WeakPolarHBondContact OD1-CB 3.42Å; D344-C346 PolarHBondContact OD1-N 3.1Å; D344-C346 PolarHBondContact OD1-SG 3.12Å
347V89.2Confident91Very high21 Ų2147.2 Ų47.213%0.12727%0.267CS..SBendtrans-80.4139.7-179.6172.10000110.3D341 D344 H349D341-V347 HydrophobicContact CB-CB 4.47Å; D341-V347 HydrophobicContact CB-CG1 4.38Å; D341-V347 HydrophobicContact CB-CG2 4.2Å; D344-V347 HydrophobicContact CB-CG2 3.96Å; D344-V347 PolarHBondContact O-N 3.03Å; V347-H349 PolarHBondContact O-N 2.97Å
348F90.3Very high91Very high73 Ų7350.9 Ų50.932%0.3228%0.282SS..  trans-63.5132.1-178.1-179.8-95.4000112.1S339 L356 H359 Y360S339-F348 WeakPolarHBondContact CB-O 3.35Å; F348-L356 HydrophobicContact CD1-CD1 4.04Å; F348-H359 HydrophobicContact CD1-CB 3.57Å; F348-H359 AromaticContact CD1-CD2 3.58Å; F348-H359 AromaticContact CD1-CG 3.38Å; F348-H359 AromaticContact CD1-ND1 3.88Å; F348-H359 AromaticContact CD2-CE1 3.5Å; F348-H359 AromaticContact CD2-CG 3.88Å; F348-H359 AromaticContact CD2-ND1 3.5Å; F348-H359 WeakPolarHBondContact CD2-ND1 3.41Å; F348-H359 AromaticContact CD2-NE2 3.9Å; F348-H359 HydrophobicContact CE1-CB 3.34Å; F348-H359 AromaticContact CE1-CG 3.55Å; F348-H359 AromaticContact CE1-ND1 3.92Å; F348-H359 AromaticContact CE2-CE1 3.97Å; F348-H359 AromaticContact CE2-ND1 3.53Å; F348-H359 HydrophobicContact CG-CB 4.26Å; F348-H359 AromaticContact CG-CD2 3.51Å; F348-H359 AromaticContact CG-CE1 3.69Å; F348-H359 AromaticContact CG-CG 3.55Å; F348-H359 AromaticContact CG-ND1 3.67Å; F348-H359 AromaticContact CG-NE2 3.61Å; F348-H359 HydrophobicContact CZ-CB 3.87Å; F348-H359 AromaticContact CZ-CG 3.87Å; F348-H359 AromaticContact CZ-ND1 3.75Å; F348-Y360 HydrophobicContact CB-CE2 4.23Å; F348-Y360 HydrophobicContact CD1-CE2 4.32Å
349H93.3Very high90.9Very high93 Ų9353.6 Ų53.643%0.43130%0.295SS..  trans-127.5144.6178.267.744.7000111.9N337 F338 V347N337-H349 HydrophobicContact CB-CB 4.08Å; N337-H349 PolarHBondContact ND2-CE1 3.02Å; N337-H349 PolarHBondContact ND2-ND1 3.01Å; F338-H349 CarbonylContact O-C 3.56Å; F338-H349 VanDerWaalsContact O-CA 3.31Å; F338-H349 WeakPolarHBondContact O-CA 3.48Å; V347-H349 PolarHBondContact O-N 2.97Å
350S93.8Very high90.8Very high13 Ų1353.4 Ų53.49%0.09129%0.294CS..BIsolated β-bridgetrans-131.9144.3-179.3-173.20000111N337 F338 D352N337-S350 CarbonylContact C-O 3.48Å; N337-S350 WeakPolarHBondContact CA-O 3.43Å; F338-S350 PolarHBondContact N-O 3.36Å; F338-S350 PolarHBondContact O-N 3.22Å; S350-D352 WeakPolarHBondContact CB-O 3.48Å; S350-D352 PolarHBondContact O-N 3.2Å; S350-D352 PolarHBondContact OG-N 2.86Å; S350-D352 PolarHBondContact OG-O 3.47Å; S350-D352 VanDerWaalsContact OG-O 3.05Å
351P93.5Very high90.8Very high74 Ų7456.1 Ų56.148%0.48131%0.305SS..SBendtrans-63.7-21.6171.928.3-36.5000112.8F338F338-P351 WeakPolarHBondContact CD2-O 3.45Å; F338-P351 WeakPolarHBondContact CE2-O 3.34Å
352D94.3Very high90.7Very high56 Ų5657.2 Ų57.230%0.29931%0.311SS..SBendtrans-125.1143-177.3-66.7-59.5000111.9D273 S350 T354 G355 L356D273-D352 HydrophobicContact CB-CB 4.18Å; S350-D352 WeakPolarHBondContact CB-O 3.48Å; S350-D352 PolarHBondContact O-N 3.2Å; S350-D352 PolarHBondContact OG-N 2.86Å; S350-D352 PolarHBondContact OG-O 3.47Å; S350-D352 VanDerWaalsContact OG-O 3.05Å; D352-T354 PolarHBondContact O-N 2.88Å; D352-G355 PolarHBondContact O-N 3.13Å; D352-L356 PolarHBondContact O-N 3.2Å; D352-L356 VanDerWaalsContact O-N 3.09Å
353I94.3Very high90.6Very high0 Ų061.4 Ų61.40%034%0.338CS..Hα-helixtrans-68.5-35.4-178.6-70.5177.3000111.3V271 I277 L306 F316 I331 F338 G355 L356 L357V271-I353 HydrophobicContact CG1-CD1 4.19Å; I277-I353 HydrophobicContact CD1-CB 3.96Å; I277-I353 HydrophobicContact CD1-CD1 4.01Å; I277-I353 HydrophobicContact CD1-CG1 4.48Å; I277-I353 HydrophobicContact CD1-CG2 4.13Å; I277-I353 HydrophobicContact CG1-CB 4.29Å; I277-I353 HydrophobicContact CG1-CG2 4.16Å; L306-I353 HydrophobicContact CD2-CG2 4.31Å; F316-I353 HydrophobicContact CD2-CD1 3.41Å; F316-I353 VanDerWaalsContact CD2-CD1 3.41Å; F316-I353 HydrophobicContact CE2-CD1 3.63Å; F316-I353 HydrophobicContact CG-CD1 4.45Å; I331-I353 HydrophobicContact CD1-CG2 3.76Å; I331-I353 HydrophobicContact CG2-CD1 4.31Å; I331-I353 HydrophobicContact CG2-CG1 4.29Å; F338-I353 HydrophobicContact CB-CG1 4.19Å; F338-I353 HydrophobicContact CD1-CD1 4.07Å; F338-I353 HydrophobicContact CD1-CG1 4.01Å; F338-I353 HydrophobicContact CD2-CG1 3.88Å; F338-I353 HydrophobicContact CE1-CD1 4.09Å; F338-I353 HydrophobicContact CE1-CG1 4.36Å; F338-I353 HydrophobicContact CE2-CG1 4.25Å; F338-I353 HydrophobicContact CG-CD1 4.32Å; F338-I353 HydrophobicContact CG-CG1 3.75Å; F338-I353 HydrophobicContact CZ-CD1 4.38Å; F338-I353 HydrophobicContact CZ-CG1 4.47Å; I353-G355 VanDerWaalsContact C-N 3.29Å; I353-G355 PolarHBondContact O-N 3.04Å; I353-L356 WeakPolarHBondContact O-CB 3.45Å; I353-L356 PolarHBondContact O-N 3.3Å; I353-L357 HydrophobicContact CG2-CD1 4.42Å; I353-L357 WeakPolarHBondContact O-CG 3.42Å; I353-L357 PolarHBondContact O-N 3.01Å
354T93.9Very high90.7Very high37 Ų3759.9 Ų59.923%0.22734%0.344CS..Hα-helixtrans-62-38.3174.4-59.40000111.5D273 D352 L357 E358D273-T354 WeakPolarHBondContact OD2-CB 3.44Å; D273-T354 PolarHBondContact OD2-N 3.49Å; D273-T354 PolarHBondContact OD2-OG1 3.22Å; D352-T354 PolarHBondContact O-N 2.88Å; T354-L357 PolarHBondContact O-N 3.02Å; T354-E358 PolarHBondContact O-N 3.12Å
355G93.4Very high90.1Very high26 Ų2658.7 Ų58.727%0.26834%0.341SS..Hα-helixtrans-67.3-36.517500000113.5D352 I353 E358 H359D352-G355 PolarHBondContact O-N 3.13Å; I353-G355 VanDerWaalsContact C-N 3.29Å; I353-G355 PolarHBondContact O-N 3.04Å; G355-E358 PolarHBondContact O-N 2.88Å; G355-H359 PolarHBondContact O-N 3.37Å; G355-H359 VanDerWaalsContact O-N 3.14Å
356L94.4Very high90.2Very high0 Ų054.4 Ų54.40%031%0.313CS..Hα-helixtrans-61.8-44.6171-17963.8000111.5I331 F338 F340 F348 D352 I353 E358 Y360I331-L356 HydrophobicContact CD1-CD2 4.37Å; I331-L356 HydrophobicContact CG1-CD2 4.34Å; I331-L356 HydrophobicContact CG2-CD2 3.89Å; F338-L356 HydrophobicContact CB-CD2 4.29Å; F340-L356 HydrophobicContact CD2-CD1 4.27Å; F340-L356 HydrophobicContact CE1-CD2 4.45Å; F340-L356 HydrophobicContact CE2-CD1 4.15Å; F340-L356 HydrophobicContact CE2-CD2 4.28Å; F340-L356 HydrophobicContact CE2-CG 4.06Å; F340-L356 HydrophobicContact CZ-CD2 4.21Å; F340-L356 HydrophobicContact CZ-CG 4.3Å; F348-L356 HydrophobicContact CD1-CD1 4.04Å; D352-L356 PolarHBondContact O-N 3.2Å; D352-L356 VanDerWaalsContact O-N 3.09Å; I353-L356 WeakPolarHBondContact O-CB 3.45Å; I353-L356 PolarHBondContact O-N 3.3Å; L356-E358 VanDerWaalsContact C-N 3.33Å; L356-E358 PolarHBondContact O-N 3.3Å; L356-Y360 HydrophobicContact CD1-CD2 4Å; L356-Y360 HydrophobicContact CD1-CE2 3.81Å; L356-Y360 WeakPolarHBondContact O-CD2 3.43Å
357L94.3Very high90.3Very high10 Ų1054.2 Ų54.25%0.05230%0.303CS..Hα-helixtrans-66-34.6177.5-65.2175.5000112.7F304 L306 V318 I353 T354 L373F304-L357 HydrophobicContact CE2-CD2 4.25Å; L306-L357 HydrophobicContact CD2-CD1 4.22Å; V318-L357 HydrophobicContact CG2-CD2 3.6Å; I353-L357 HydrophobicContact CG2-CD1 4.42Å; I353-L357 WeakPolarHBondContact O-CG 3.42Å; I353-L357 PolarHBondContact O-N 3.01Å; T354-L357 PolarHBondContact O-N 3.02Å; L357-L373 HydrophobicContact CD2-CD1 3.66Å
358E93.4Very high89.9Confident119 Ų11960.3 Ų60.356%0.55633%0.328SS*.Hα-helixtrans-72.5-36.1179.8-175.5147.5-122.900112.9T354 G355 L356 Y360 K361T354-E358 PolarHBondContact O-N 3.12Å; G355-E358 PolarHBondContact O-N 2.88Å; L356-E358 VanDerWaalsContact C-N 3.33Å; L356-E358 PolarHBondContact O-N 3.3Å; E358-Y360 VanDerWaalsContact C-N 3.31Å; E358-Y360 PolarHBondContact O-N 3.21Å; E358-K361 HydrophobicContact CG-CD 4.49Å; E358-K361 WeakPolarHBondContact O-CB 3.38Å; E358-K361 PolarHBondContact O-N 3.33Å; E358-K361 IonicContact OE1-NZ 2.84Å; E358-K361 PolarHBondContact OE1-NZ 3.01Å
359H92.2Very high89.5Confident64 Ų6463 Ų6330%0.29634%0.34SS..Hα-helixtrans-60.2-40.6174.9-178.586.7000112.9F348 G355 K361 S365F348-H359 HydrophobicContact CD1-CB 3.57Å; F348-H359 AromaticContact CD1-CD2 3.58Å; F348-H359 AromaticContact CD1-CG 3.38Å; F348-H359 AromaticContact CD1-ND1 3.88Å; F348-H359 AromaticContact CD2-CE1 3.5Å; F348-H359 AromaticContact CD2-CG 3.88Å; F348-H359 AromaticContact CD2-ND1 3.5Å; F348-H359 WeakPolarHBondContact CD2-ND1 3.41Å; F348-H359 AromaticContact CD2-NE2 3.9Å; F348-H359 HydrophobicContact CE1-CB 3.34Å; F348-H359 AromaticContact CE1-CG 3.55Å; F348-H359 AromaticContact CE1-ND1 3.92Å; F348-H359 AromaticContact CE2-CE1 3.97Å; F348-H359 AromaticContact CE2-ND1 3.53Å; F348-H359 HydrophobicContact CG-CB 4.26Å; F348-H359 AromaticContact CG-CD2 3.51Å; F348-H359 AromaticContact CG-CE1 3.69Å; F348-H359 AromaticContact CG-CG 3.55Å; F348-H359 AromaticContact CG-ND1 3.67Å; F348-H359 AromaticContact CG-NE2 3.61Å; F348-H359 HydrophobicContact CZ-CB 3.87Å; F348-H359 AromaticContact CZ-CG 3.87Å; F348-H359 AromaticContact CZ-ND1 3.75Å; G355-H359 PolarHBondContact O-N 3.37Å; G355-H359 VanDerWaalsContact O-N 3.14Å; H359-K361 VanDerWaalsContact C-N 3.27Å; H359-K361 PolarHBondContact O-N 2.76Å; H359-S365 PolarHBondContact O-OG 3.36Å
360Y92.6Very high89.2Confident2 Ų259.8 Ų59.81%0.00833%0.325CS..THydrogen-bonded Turntrans-86.811.9-177.5-76.1-69.1000114.4F340 F348 L356 E358 C366 E370 P371 L373F340-Y360 AromaticContact CD2-CD2 3.84Å; F340-Y360 HydrophobicContact CD2-CD2 3.84Å; F340-Y360 AromaticContact CD2-CE2 3.62Å; F340-Y360 HydrophobicContact CD2-CE2 3.62Å; F340-Y360 AromaticContact CE2-CD2 3.46Å; F340-Y360 HydrophobicContact CE2-CD2 3.46Å; F340-Y360 VanDerWaalsContact CE2-CD2 3.46Å; F340-Y360 AromaticContact CE2-CE2 3.76Å; F340-Y360 HydrophobicContact CE2-CE2 3.76Å; F340-Y360 HydrophobicContact CE2-CG 4.05Å; F348-Y360 HydrophobicContact CB-CE2 4.23Å; F348-Y360 HydrophobicContact CD1-CE2 4.32Å; L356-Y360 HydrophobicContact CD1-CD2 4Å; L356-Y360 HydrophobicContact CD1-CE2 3.81Å; L356-Y360 WeakPolarHBondContact O-CD2 3.43Å; E358-Y360 VanDerWaalsContact C-N 3.31Å; E358-Y360 PolarHBondContact O-N 3.21Å; Y360-C366 PolarHBondContact O-SG 3.31Å; Y360-C366 VanDerWaalsContact O-SG 3.35Å; Y360-E370 HydrophobicContact CD1-CB 4.26Å; Y360-E370 HydrophobicContact CE1-CB 3.76Å; Y360-E370 VanDerWaalsContact CE1-CD 3.48Å; Y360-E370 HydrophobicContact CE1-CG 4.1Å; Y360-E370 WeakPolarHBondContact CE1-OE1 3.15Å; Y360-E370 PolarHBondContact OH-OE1 2.8Å; Y360-P371 WeakPolarHBondContact CD1-O 3.42Å; Y360-L373 WeakPolarHBondContact O-CA 3.32Å; Y360-L373 WeakPolarHBondContact O-CB 3.21Å; Y360-L373 PolarHBondContact O-N 2.99Å
361K92Very high89Confident88 Ų8859.5 Ų59.538%0.38332%0.323SS..THydrogen-bonded Turntrans-80.4-37.8178.8-177.4-175.6170.7-165.60112.8E358 H359 S374E358-K361 HydrophobicContact CG-CD 4.49Å; E358-K361 WeakPolarHBondContact O-CB 3.38Å; E358-K361 PolarHBondContact O-N 3.33Å; E358-K361 IonicContact OE1-NZ 2.84Å; E358-K361 PolarHBondContact OE1-NZ 3.01Å; H359-K361 VanDerWaalsContact C-N 3.27Å; H359-K361 PolarHBondContact O-N 2.76Å; K361-S374 WeakPolarHBondContact O-CA 3.43Å; K361-S374 WeakPolarHBondContact O-CB 3.41Å
362D88.8Confident88.9Confident90 Ų9056.8 Ų56.848%0.48130%0.304SS..SBendtrans-87.4125.5-172-73.6-17.5000111.3S364 S365 C366D362-S364 PolarHBondContact O-N 3.33Å; D362-S365 PolarHBondContact O-N 3.38Å; D362-S365 VanDerWaalsContact O-N 3.14Å; D362-S365 PolarHBondContact O-OG 3Å; D362-C366 PolarHBondContact O-SG 3.41Å
363P83.8Confident88.9Confident94 Ų9454.2 Ų54.261%0.6129%0.29SS*.THydrogen-bonded Turntrans-60.8-15.9-179.4-24.233.4000115L372P363-L372 HydrophobicContact CB-CD1 4.26Å; P363-L372 HydrophobicContact CG-CD1 4.22Å
364S82.5Confident88.9Confident116 Ų11656.3 Ų56.381%0.81131%0.305SS*.THydrogen-bonded Turntrans-86.3-18.6179.246.70000114.7D362D362-S364 PolarHBondContact O-N 3.33Å
365S75.9Confident88.9Confident43 Ų4357.5 Ų57.530%0.30131%0.312SS..THydrogen-bonded Turntrans-88-25.6170.650.40000112.4H359 D362 M367H359-S365 PolarHBondContact O-OG 3.36Å; D362-S365 PolarHBondContact O-N 3.38Å; D362-S365 VanDerWaalsContact O-N 3.14Å; D362-S365 PolarHBondContact O-OG 3Å; S365-M367 PolarHBondContact O-N 3.24Å
366C83.9Confident89.1Confident12 Ų1259.1 Ų59.18%0.08132%0.318CS..  trans-88.6105.7-167.6-57.10000113.9Y360 D362 L372Y360-C366 PolarHBondContact O-SG 3.31Å; Y360-C366 VanDerWaalsContact O-SG 3.35Å; D362-C366 PolarHBondContact O-SG 3.41Å; C366-L372 HydrophobicContact CB-CD1 4.16Å
367M85.6Confident89.2Confident108 Ų10860.4 Ų60.453%0.53233%0.325SS..  trans-61163.5170.6-66.4-72.8-90.100111.8R322 S365 F369 E370R322-M367 PolarHBondContact NH1-O 3.38Å; R322-M367 PolarHBondContact NH2-O 3.3Å; S365-M367 PolarHBondContact O-N 3.24Å; M367-F369 HydrophobicContact CB-CD1 4Å; M367-F369 HydrophobicContact CB-CE1 3.54Å; M367-F369 HydrophobicContact CB-CZ 3.82Å; M367-F369 HydrophobicContact CE-CE1 4.3Å; M367-F369 HydrophobicContact CG-CE1 4.18Å; M367-F369 HydrophobicContact CG-CZ 4.28Å; M367-F369 PolarHBondContact O-N 2.92Å; M367-F369 VanDerWaalsContact O-N 3.11Å; M367-E370 HydrophobicContact CB-CG 4.11Å; M367-E370 VanDerWaalsContact CB-OE2 3.28Å; M367-E370 WeakPolarHBondContact CB-OE2 3.12Å; M367-E370 PolarHBondContact N-OE2 3.14Å; M367-E370 PolarHBondContact O-N 3.35Å; M367-E370 VanDerWaalsContact O-N 3.13Å
368F81.6Confident89.3Confident148 Ų14864.2 Ų64.265%0.64935%0.345SS*.THydrogen-bonded Turntrans-62-23-172.172.1-92.3000115.1R322 Y323R322-F368 PolarHBondContact NH1-O 3.11Å; Y323-F368 WeakPolarHBondContact CE2-O 3.49Å; Y323-F368 PolarHBondContact OH-O 3.19Å
369F81.1Confident89.3Confident131 Ų13161 Ų6158%0.57533%0.327SS*.THydrogen-bonded Turntrans-92.4-13.8-179.855.9-93000113.6M367M367-F369 HydrophobicContact CB-CD1 4Å; M367-F369 HydrophobicContact CB-CE1 3.54Å; M367-F369 HydrophobicContact CB-CZ 3.82Å; M367-F369 HydrophobicContact CE-CE1 4.3Å; M367-F369 HydrophobicContact CG-CE1 4.18Å; M367-F369 HydrophobicContact CG-CZ 4.28Å; M367-F369 PolarHBondContact O-N 2.92Å; M367-F369 VanDerWaalsContact O-N 3.11Å
370E88Confident89.5Confident25 Ų2563.8 Ų63.812%0.11735%0.349CS..SBendtrans-85.6168.9-172.1-62.6-175.9110.200113.1R322 Y360 M367R322-E370 PolarHBondContact NH1-O 2.91Å; Y360-E370 HydrophobicContact CD1-CB 4.26Å; Y360-E370 HydrophobicContact CE1-CB 3.76Å; Y360-E370 VanDerWaalsContact CE1-CD 3.48Å; Y360-E370 HydrophobicContact CE1-CG 4.1Å; Y360-E370 WeakPolarHBondContact CE1-OE1 3.15Å; Y360-E370 PolarHBondContact OH-OE1 2.8Å; M367-E370 HydrophobicContact CB-CG 4.11Å; M367-E370 VanDerWaalsContact CB-OE2 3.28Å; M367-E370 WeakPolarHBondContact CB-OE2 3.12Å; M367-E370 PolarHBondContact N-OE2 3.14Å; M367-E370 PolarHBondContact O-N 3.35Å; M367-E370 VanDerWaalsContact O-N 3.13Å
371P88.8Confident89.6Confident7 Ų768.1 Ų68.15%0.04537%0.368CS..  trans-67.9135.8169.1-21.637.1000111.6F320 A329 F340 Y360 L373F320-P371 HydrophobicContact CD1-CB 4.13Å; F320-P371 HydrophobicContact CE1-CB 3.84Å; F320-P371 HydrophobicContact CE1-CG 4.08Å; F320-P371 HydrophobicContact CE2-CB 4.34Å; F320-P371 HydrophobicContact CZ-CB 3.95Å; F320-P371 HydrophobicContact CZ-CG 4.22Å; A329-P371 HydrophobicContact CB-CG 3.91Å; F340-P371 HydrophobicContact CD1-CG 4.3Å; F340-P371 HydrophobicContact CD2-CG 3.67Å; F340-P371 HydrophobicContact CE1-CG 4.32Å; F340-P371 HydrophobicContact CE2-CB 4.17Å; F340-P371 HydrophobicContact CE2-CG 3.68Å; F340-P371 HydrophobicContact CG-CG 3.99Å; F340-P371 HydrophobicContact CZ-CB 4.39Å; F340-P371 HydrophobicContact CZ-CG 4.03Å; Y360-P371 WeakPolarHBondContact CD1-O 3.42Å; P371-L373 HydrophobicContact CB-CD1 4.35Å; P371-L373 HydrophobicContact CB-CD2 3.81Å; P371-L373 HydrophobicContact CB-CG 4.04Å
372L93.1Very high89.8Confident17 Ų1769.3 Ų69.39%0.08939%0.385CS..  trans-110.1112.9170.2177.863.3000108.7E301 G302 P363 C366E301-L372 HydrophobicContact CG-CD2 4.3Å; G302-L372 WeakPolarHBondContact CA-O 3.48Å; P363-L372 HydrophobicContact CB-CD1 4.26Å; P363-L372 HydrophobicContact CG-CD1 4.22Å; C366-L372 HydrophobicContact CB-CD1 4.16Å
373L94.2Very high90.2Very high1 Ų166.6 Ų66.61%0.00537%0.369CS..  trans-119.742-165.4-49.3-175.5000111.8F304 V318 F320 F340 L357 Y360 P371F304-L373 HydrophobicContact CB-CD2 3.65Å; F304-L373 VanDerWaalsContact CD1-C 3.46Å; F304-L373 HydrophobicContact CD1-CB 3.75Å; F304-L373 HydrophobicContact CD1-CD2 4.47Å; F304-L373 WeakPolarHBondContact CD1-O 3.28Å; F304-L373 HydrophobicContact CD2-CB 4.16Å; F304-L373 HydrophobicContact CD2-CD2 4.04Å; F304-L373 HydrophobicContact CD2-CG 4.48Å; F304-L373 HydrophobicContact CE1-CB 3.92Å; F304-L373 WeakPolarHBondContact CE1-O 3.36Å; F304-L373 HydrophobicContact CE2-CB 4.3Å; F304-L373 HydrophobicContact CG-CB 3.88Å; F304-L373 HydrophobicContact CG-CD2 3.81Å; F304-L373 HydrophobicContact CG-CG 4.38Å; F304-L373 HydrophobicContact CZ-CB 4.18Å; V318-L373 HydrophobicContact CG1-CD1 4.14Å; V318-L373 HydrophobicContact CG1-CD2 3.49Å; V318-L373 VanDerWaalsContact CG1-CD2 3.49Å; F320-L373 HydrophobicContact CB-CD2 3.84Å; F320-L373 HydrophobicContact CD1-CD2 4.44Å; F320-L373 HydrophobicContact CG-CD2 4.16Å; F340-L373 HydrophobicContact CZ-CD1 4.26Å; L357-L373 HydrophobicContact CD2-CD1 3.66Å; Y360-L373 WeakPolarHBondContact O-CA 3.32Å; Y360-L373 WeakPolarHBondContact O-CB 3.21Å; Y360-L373 PolarHBondContact O-N 2.99Å; P371-L373 HydrophobicContact CB-CD1 4.35Å; P371-L373 HydrophobicContact CB-CD2 3.81Å; P371-L373 HydrophobicContact CB-CG 4.04Å
374S92.8Very high90.8Very high44 Ų4465.4 Ų65.431%0.30836%0.363SS..  trans-72.1-31.4-173.468.30000114.2G302 K361G302-S374 WeakPolarHBondContact CA-OG 3.49Å; G302-S374 PolarHBondContact O-N 3.17Å; G302-S374 PolarHBondContact O-OG 3.31Å; K361-S374 WeakPolarHBondContact O-CA 3.43Å; K361-S374 WeakPolarHBondContact O-CB 3.41Å
375T95.1Very high91.5Very high63 Ų6366.2 Ų66.239%0.38736%0.358SS..EExtended strand (participates in β ladder)trans-126.6101.8-168.4-55.80000111.5G302 T303 F304 L377G302-T375 PolarHBondContact O-N 2.86Å; T303-T375 CarbonylContact C-O 3.58Å; T303-T375 VanDerWaalsContact CA-O 3.29Å; T303-T375 WeakPolarHBondContact CA-O 3.49Å; F304-T375 WeakPolarHBondContact CD1-O 3.24Å; F304-T375 PolarHBondContact N-O 3.29Å; T375-L377 PolarHBondContact O-N 2.78Å
376P96.4Very high92.5Very high59 Ų5969.9 Ų69.938%0.38337%0.37SS..EExtended strand (participates in β ladder)trans-70.6127.9179.427.3-33.3000111.7C282 F304 N378C282-P376 HydrophobicContact CB-CB 3.6Å; F304-P376 HydrophobicContact CE1-CB 3.84Å; F304-P376 HydrophobicContact CZ-CB 3.99Å; P376-N378 PolarHBondContact O-N 2.78Å
377L96.5Very high93.1Very high28 Ų2870.1 Ų70.115%0.14737%0.37CS..  trans-83.2100.1170.5-172.873.4000109.3W284 L295 L296 T303 F304 L305 T375 R379W284-L377 HydrophobicContact CZ2-CD2 4.12Å; W284-L377 HydrophobicContact CZ2-CG 4.14Å; W284-L377 PolarHBondContact NE1-O 3.46Å; L295-L377 HydrophobicContact CB-CD2 3.9Å; L296-L377 HydrophobicContact CD2-CD2 4.47Å; T303-L377 HydrophobicContact CG2-CB 4.08Å; T303-L377 HydrophobicContact CG2-CD1 4.35Å; F304-L377 WeakPolarHBondContact O-CB 3.39Å; F304-L377 PolarHBondContact O-N 2.66Å; L305-L377 HydrophobicContact CB-CB 4.43Å; L305-L377 HydrophobicContact CD2-CD2 3.92Å; T375-L377 PolarHBondContact O-N 2.78Å; L377-R379 PolarHBondContact O-N 2.87Å
378N96.3Very high93.6Very high89 Ų8968.7 Ų68.748%0.47636%0.364SS..  trans-66.1130.5-175.6-66.3-21.1000113P281 W284 P376P281-N378 HydrophobicContact CB-CB 4.18Å; P281-N378 WeakPolarHBondContact CB-OD1 3.42Å; P281-N378 WeakPolarHBondContact CG-OD1 3.38Å; P281-N378 CarbonylContact O-C 3.5Å; P281-N378 WeakPolarHBondContact O-CA 3.22Å; W284-N378 WeakPolarHBondContact CZ2-O 3.4Å; P376-N378 PolarHBondContact O-N 2.78Å
379R95.1Very high94.3Very high51 Ų5164.5 Ų64.519%0.19235%0.352CS..  trans-60.1139.4172170.3175.147.1112.5-6.3111.7N278 P281 Y283 W284 L377 F381N278-R379 PolarHBondContact O-NH2 3.39Å; P281-R379 PolarHBondContact O-N 2.85Å; Y283-R379 WeakPolarHBondContact O-CD 3.4Å; Y283-R379 PolarHBondContact O-NE 3.2Å; W284-R379 HydrophobicContact CD2-CB 4.07Å; W284-R379 HydrophobicContact CD2-CG 4.46Å; W284-R379 HydrophobicContact CE3-CB 4.49Å; W284-R379 HydrophobicContact CE3-CG 4.46Å; W284-R379 HydrophobicContact CG-CB 4.32Å; W284-R379 HydrophobicContact CZ2-CB 4.46Å; L377-R379 PolarHBondContact O-N 2.87Å; R379-F381 VanDerWaalsContact CD-O 3.27Å; R379-F381 WeakPolarHBondContact CD-O 3.26Å; R379-F381 HydrophobicContact CG-CD1 3.93Å; R379-F381 HydrophobicContact CG-CD2 4.34Å; R379-F381 HydrophobicContact CG-CE1 3.87Å; R379-F381 HydrophobicContact CG-CE2 4.26Å; R379-F381 HydrophobicContact CG-CG 4.17Å; R379-F381 HydrophobicContact CG-CZ 4.02Å; R379-F381 WeakPolarHBondContact CG-O 3.34Å; R379-F381 PolarHBondContact NH1-O 2.62Å
380T95.6Very high95.1Very high123 Ų12358.4 Ų58.476%0.75533%0.325SS*.  trans-102.44.4-174.3560000115.2W284W284-T380 HydrophobicContact CH2-CG2 4.5Å
381F94.8Very high95.4Very high93 Ų9357.4 Ų57.441%0.40832%0.321SS..SBendtrans-138.9147.7-176.660.8-92.3000112.8W284 R379 F383W284-F381 AromaticContact CE3-CE1 3.6Å; W284-F381 HydrophobicContact CE3-CE1 3.6Å; W284-F381 HydrophobicContact CE3-CZ 4.22Å; W284-F381 HydrophobicContact CZ3-CD1 4.4Å; W284-F381 AromaticContact CZ3-CE1 3.8Å; W284-F381 HydrophobicContact CZ3-CE1 3.8Å; R379-F381 VanDerWaalsContact CD-O 3.27Å; R379-F381 WeakPolarHBondContact CD-O 3.26Å; R379-F381 HydrophobicContact CG-CD1 3.93Å; R379-F381 HydrophobicContact CG-CD2 4.34Å; R379-F381 HydrophobicContact CG-CE1 3.87Å; R379-F381 HydrophobicContact CG-CE2 4.26Å; R379-F381 HydrophobicContact CG-CG 4.17Å; R379-F381 HydrophobicContact CG-CZ 4.02Å; R379-F381 WeakPolarHBondContact CG-O 3.34Å; R379-F381 PolarHBondContact NH1-O 2.62Å; F381-F383 HydrophobicContact CE2-CD1 4.19Å; F381-F383 HydrophobicContact CE2-CE1 4.1Å
382P95.8Very high95.8Very high114 Ų11460.6 Ų60.674%0.7434%0.34SS*.PPolyproline II helixtrans-74.9153.7173.732.4-35.4000111.9
383F96.6Very high96Very high32 Ų3263.1 Ų63.114%0.1435%0.353CS..PPolyproline II helixtrans-78.9167171.4-67.1-44.3000111.7N278 Y283 F381 H387 I388N278-F383 WeakPolarHBondContact OD1-CD2 3.36Å; N278-F383 WeakPolarHBondContact OD1-CE2 2.96Å; Y283-F383 AromaticContact CD1-CE2 3.63Å; Y283-F383 HydrophobicContact CD1-CE2 3.63Å; Y283-F383 AromaticContact CD1-CZ 3.58Å; Y283-F383 HydrophobicContact CD1-CZ 3.58Å; Y283-F383 AromaticContact CE1-CE2 3.74Å; Y283-F383 HydrophobicContact CE1-CE2 3.74Å; Y283-F383 AromaticContact CE1-CZ 3.66Å; Y283-F383 HydrophobicContact CE1-CZ 3.66Å; Y283-F383 HydrophobicContact CG-CZ 4.49Å; F381-F383 HydrophobicContact CE2-CD1 4.19Å; F381-F383 HydrophobicContact CE2-CE1 4.1Å; F383-H387 HydrophobicContact CB-CB 4.45Å; F383-H387 AromaticContact CD2-CD2 3.91Å; F383-H387 AromaticContact CD2-NE2 3.92Å; F383-H387 AromaticContact CE2-NE2 3.84Å; F383-I388 HydrophobicContact CB-CD1 4.44Å; F383-I388 HydrophobicContact CB-CG1 4.21Å
384S97Very high96Very high70 Ų7063.6 Ų63.649%0.4936%0.356SS..PPolyproline II helixtrans-66.1147.1174.574.20000111.1Q386 H387 I388S384-Q386 PolarHBondContact O-N 3.02Å; S384-H387 WeakPolarHBondContact O-CB 3.28Å; S384-H387 PolarHBondContact O-N 2.88Å; S384-H387 PolarHBondContact OG-N 2.84Å; S384-I388 WeakPolarHBondContact O-CG1 3.46Å; S384-I388 PolarHBondContact O-N 3.16Å
385L97.5Very high96.1Very high133 Ų13365.6 Ų65.670%0.69636%0.363SS*.Hα-helixtrans-56.3-34.9176.2-179.661.2000111.9H387 I388 C389L385-H387 VanDerWaalsContact C-N 3.34Å; L385-H387 PolarHBondContact O-N 3.02Å; L385-I388 PolarHBondContact O-N 3.4Å; L385-C389 WeakPolarHBondContact O-CB 3.19Å; L385-C389 PolarHBondContact O-N 2.69Å; L385-C389 PolarHBondContact O-SG 3.24Å
386Q96.3Very high96.1Very high119 Ų11967.7 Ų67.756%0.55638%0.38SS*.Hα-helixtrans-61.2-41176.6-172.7-173-30.800112.2S384 R390 Y414S384-Q386 PolarHBondContact O-N 3.02Å; Q386-R390 WeakPolarHBondContact O-CB 3.19Å; Q386-R390 PolarHBondContact O-N 3.38Å; Q386-R390 VanDerWaalsContact O-N 3.09Å; Q386-Y414 HydrophobicContact CG-CD1 4.24Å; Q386-Y414 HydrophobicContact CG-CE1 3.6Å; Q386-Y414 VanDerWaalsContact NE2-CD1 3.33Å; Q386-Y414 VanDerWaalsContact NE2-CE1 3.27Å
387H96.7Very high96Very high18 Ų1866.6 Ų66.68%0.08337%0.372CS..Hα-helixtrans-70.6-42177.2-170.997.6000111.5N278 Y283 F383 S384 L385 R390 T391 Y414 Y418N278-H387 PolarHBondContact ND2-NE2 3.22Å; N278-H387 PolarHBondContact OD1-CD2 3.25Å; N278-H387 PolarHBondContact OD1-NE2 3.06Å; Y283-H387 AromaticContact CE1-NE2 3.48Å; Y283-H387 WeakPolarHBondContact CE1-NE2 3.47Å; F383-H387 HydrophobicContact CB-CB 4.45Å; F383-H387 AromaticContact CD2-CD2 3.91Å; F383-H387 AromaticContact CD2-NE2 3.92Å; F383-H387 AromaticContact CE2-NE2 3.84Å; S384-H387 WeakPolarHBondContact O-CB 3.28Å; S384-H387 PolarHBondContact O-N 2.88Å; S384-H387 PolarHBondContact OG-N 2.84Å; L385-H387 VanDerWaalsContact C-N 3.34Å; L385-H387 PolarHBondContact O-N 3.02Å; H387-R390 WeakPolarHBondContact O-CB 3.16Å; H387-R390 PolarHBondContact O-N 3.46Å; H387-R390 VanDerWaalsContact O-N 3.16Å; H387-T391 WeakPolarHBondContact O-CG2 3.35Å; H387-T391 PolarHBondContact O-N 2.59Å; H387-Y414 WeakPolarHBondContact CA-OH 3.43Å; H387-Y418 AromaticContact CE1-CE2 2.96Å; H387-Y418 WeakPolarHBondContact CE1-CE2 3.43Å; H387-Y418 AromaticContact CE1-CZ 3.06Å; H387-Y418 PolarHBondContact CE1-OH 2.95Å
388I96.6Very high95.9Very high77 Ų7769.6 Ų69.640%0.39539%0.391SS..Hα-helixtrans-64-42176.8-62.4165000111.4F383 S384 L385 R390 T391 V392F383-I388 HydrophobicContact CB-CD1 4.44Å; F383-I388 HydrophobicContact CB-CG1 4.21Å; S384-I388 WeakPolarHBondContact O-CG1 3.46Å; S384-I388 PolarHBondContact O-N 3.16Å; L385-I388 PolarHBondContact O-N 3.4Å; I388-R390 VanDerWaalsContact C-N 3.3Å; I388-R390 PolarHBondContact O-N 3.02Å; I388-T391 PolarHBondContact O-OG1 2.84Å; I388-V392 WeakPolarHBondContact O-CG2 3.29Å; I388-V392 PolarHBondContact O-N 2.8Å
389C96.8Very high95.9Very high61 Ų6167.1 Ų67.141%0.41238%0.376SS..Hα-helixtrans-63.6-37.9173.4-70.20000111.8L385 I393L385-C389 WeakPolarHBondContact O-CB 3.19Å; L385-C389 PolarHBondContact O-N 2.69Å; L385-C389 PolarHBondContact O-SG 3.24Å; C389-I393 WeakPolarHBondContact O-CD1 3.41Å; C389-I393 WeakPolarHBondContact O-CG1 3.48Å; C389-I393 PolarHBondContact O-N 2.97Å
390R96.4Very high95.8Very high2 Ų269.7 Ų69.71%0.00839%0.393CS..Hα-helixtrans-63.2-46.2177.8161.4174.7-179.4-160.613.2112.7Q386 H387 I388 V392 I393 C394 Y414 L415 E417 Y418Q386-R390 WeakPolarHBondContact O-CB 3.19Å; Q386-R390 PolarHBondContact O-N 3.38Å; Q386-R390 VanDerWaalsContact O-N 3.09Å; H387-R390 WeakPolarHBondContact O-CB 3.16Å; H387-R390 PolarHBondContact O-N 3.46Å; H387-R390 VanDerWaalsContact O-N 3.16Å; I388-R390 VanDerWaalsContact C-N 3.3Å; I388-R390 PolarHBondContact O-N 3.02Å; R390-V392 VanDerWaalsContact C-N 3.29Å; R390-V392 PolarHBondContact O-N 2.61Å; R390-I393 PolarHBondContact O-N 3.21Å; R390-I393 VanDerWaalsContact O-N 3.16Å; R390-C394 WeakPolarHBondContact O-CB 2.89Å; R390-C394 PolarHBondContact O-N 3.24Å; R390-C394 PolarHBondContact O-SG 3.03Å; R390-C394 VanDerWaalsContact O-SG 3.38Å; R390-Y414 HydrophobicContact CB-CE1 3.87Å; R390-Y414 VanDerWaalsContact CD-CE1 3.41Å; R390-Y414 HydrophobicContact CG-CE1 4.28Å; R390-Y414 PolarHBondContact NE-O 3.37Å; R390-Y414 PolarHBondContact NH1-O 2.71Å; R390-Y414 PolarHBondContact NH2-O 3.15Å; R390-L415 HydrophobicContact CB-CD2 3.75Å; R390-L415 HydrophobicContact CG-CD2 3.69Å; R390-L415 PolarHBondContact NE-O 3.2Å; R390-L415 PolarHBondContact NH2-O 3.19Å; R390-L415 VanDerWaalsContact NH2-O 3.12Å; R390-E417 IonicContact CZ-OE2 3.51Å; R390-E417 IonicContact NH1-OE2 3.32Å; R390-E417 PolarHBondContact NH1-OE2 3.34Å; R390-E417 IonicContact NH2-OE2 2.67Å; R390-Y418 VanDerWaalsContact NH1-CE2 3.3Å
391T96.2Very high95.7Very high4 Ų464.7 Ų64.73%0.02537%0.366CS..Hα-helixtrans-62.6-40.5-177.158.20000111L274 N278 H387 I388 N395L274-T391 HydrophobicContact CG-CG2 4.29Å; N278-T391 HydrophobicContact CB-CG2 3.89Å; N278-T391 VanDerWaalsContact ND2-CG2 3.35Å; N278-T391 WeakPolarHBondContact ND2-CG2 3.49Å; H387-T391 WeakPolarHBondContact O-CG2 3.35Å; H387-T391 PolarHBondContact O-N 2.59Å; I388-T391 PolarHBondContact O-OG1 2.84Å; T391-N395 WeakPolarHBondContact O-CB 3.4Å; T391-N395 PolarHBondContact O-N 3.4Å
392V96.8Very high95.7Very high75 Ų7560.2 Ų60.246%0.45535%0.347SS..Hα-helixtrans-63.5-44.1172.9177.60000111.9L275 I388 R390 N395 C396L275-V392 HydrophobicContact CD1-CG2 4.18Å; I388-V392 WeakPolarHBondContact O-CG2 3.29Å; I388-V392 PolarHBondContact O-N 2.8Å; R390-V392 VanDerWaalsContact C-N 3.29Å; R390-V392 PolarHBondContact O-N 2.61Å; V392-N395 PolarHBondContact O-N 3.42Å; V392-C396 PolarHBondContact O-N 3.09Å
393I95.9Very high95.7Very high70 Ų7058.9 Ų58.936%0.35933%0.333SS..Hα-helixtrans-63.7-46.1177.4-69.3162.5000111.2C389 R390 N395 C396 T397 L405 L415C389-I393 WeakPolarHBondContact O-CD1 3.41Å; C389-I393 WeakPolarHBondContact O-CG1 3.48Å; C389-I393 PolarHBondContact O-N 2.97Å; R390-I393 PolarHBondContact O-N 3.21Å; R390-I393 VanDerWaalsContact O-N 3.16Å; I393-N395 VanDerWaalsContact C-N 3.29Å; I393-N395 PolarHBondContact O-N 2.98Å; I393-C396 CarbonylContact O-C 3.6Å; I393-C396 PolarHBondContact O-N 3.46Å; I393-T397 HydrophobicContact CG2-CG2 4.47Å; I393-T397 WeakPolarHBondContact O-CG2 3.41Å; I393-T397 PolarHBondContact O-N 3.05Å; I393-L405 HydrophobicContact CG2-CD1 4.02Å; I393-L415 HydrophobicContact CB-CD2 4.25Å; I393-L415 HydrophobicContact CD1-CD2 4.39Å; I393-L415 HydrophobicContact CG2-CD1 3.76Å; I393-L415 HydrophobicContact CG2-CD2 4.09Å
394C95.4Very high95.6Very high10 Ų1061.5 Ų61.57%0.06836%0.361CS..Hα-helixtrans-62.1-33.8177.9-72.40000112.5L270 L274 R390 C396 T397L270-C394 HydrophobicContact CD1-CB 4.29Å; L274-C394 HydrophobicContact CD2-CB 3.96Å; R390-C394 WeakPolarHBondContact O-CB 2.89Å; R390-C394 PolarHBondContact O-N 3.24Å; R390-C394 PolarHBondContact O-SG 3.03Å; R390-C394 VanDerWaalsContact O-SG 3.38Å; C394-C396 PolarHBondContact O-N 3.14Å; C394-T397 VanDerWaalsContact O-O 3.07Å
395N95.2Very high95.5Very high86 Ų8660.5 Ų60.546%0.4635%0.35SS..THydrogen-bonded Turntrans-69-15.4173.8-163.9106.9000113.3L275 T391 V392 I393L275-N395 HydrophobicContact CB-CB 4.12Å; L275-N395 VanDerWaalsContact CB-OD1 3.26Å; L275-N395 WeakPolarHBondContact CB-OD1 3.48Å; L275-N395 HydrophobicContact CD2-CB 3.93Å; L275-N395 WeakPolarHBondContact CD2-OD1 3.26Å; T391-N395 WeakPolarHBondContact O-CB 3.4Å; T391-N395 PolarHBondContact O-N 3.4Å; V392-N395 PolarHBondContact O-N 3.42Å; I393-N395 VanDerWaalsContact C-N 3.29Å; I393-N395 PolarHBondContact O-N 2.98Å
396C94.6Very high95.5Very high107 Ų10760.7 Ų60.772%0.72336%0.359SS*.THydrogen-bonded Turntrans-112.311.6-177.9-650000113.3V392 I393 C394V392-C396 PolarHBondContact O-N 3.09Å; I393-C396 CarbonylContact O-C 3.6Å; I393-C396 PolarHBondContact O-N 3.46Å; C394-C396 PolarHBondContact O-N 3.14Å
397T94.8Very high95.5Very high37 Ų3757.6 Ų57.623%0.22735%0.346CS..SBendtrans-152.8168.4-176.9-156.30000112.4L270 I393 C394 I402L270-T397 HydrophobicContact CD1-CG2 4.33Å; I393-T397 HydrophobicContact CG2-CG2 4.47Å; I393-T397 WeakPolarHBondContact O-CG2 3.41Å; I393-T397 PolarHBondContact O-N 3.05Å; C394-T397 VanDerWaalsContact O-O 3.07Å; T397-I402 HydrophobicContact CG2-CD1 4.44Å; T397-I402 HydrophobicContact CG2-CG1 3.71Å
398T94.7Very high95.5Very high90 Ų9060.4 Ų60.455%0.55237%0.366SS*.  trans-101.4170.917362.10000110.7D400 G401 I402T398-D400 VanDerWaalsContact C-N 3.3Å; T398-D400 PolarHBondContact O-N 3.39Å; T398-G401 PolarHBondContact O-N 3.4Å; T398-G401 VanDerWaalsContact O-N 3.12Å; T398-G401 PolarHBondContact OG1-N 3.48Å; T398-G401 VanDerWaalsContact OG1-N 3.13Å; T398-I402 PolarHBondContact O-N 2.84Å
399Y94.3Very high95.5Very high38 Ų3861.5 Ų61.515%0.14938%0.378CS..THydrogen-bonded Turntrans-55.9-44.9178.4-172.9-94.1000112.1H268 L270 I402 K416 H419H268-Y399 HydrophobicContact CB-CD1 3.66Å; H268-Y399 HydrophobicContact CB-CD2 4.03Å; H268-Y399 HydrophobicContact CB-CE1 3.41Å; H268-Y399 VanDerWaalsContact CB-CE1 3.41Å; H268-Y399 HydrophobicContact CB-CE2 3.81Å; H268-Y399 HydrophobicContact CB-CG 3.95Å; H268-Y399 VanDerWaalsContact CB-CZ 3.48Å; H268-Y399 AromaticContact CG-CZ 3.95Å; H268-Y399 VanDerWaalsContact O-CB 3.24Å; H268-Y399 WeakPolarHBondContact O-CB 3.33Å; L270-Y399 HydrophobicContact CD2-CD2 4.02Å; L270-Y399 HydrophobicContact CG-CD2 4.39Å; Y399-I402 WeakPolarHBondContact O-CB 3.38Å; Y399-K416 HydrophobicContact CD1-CD 4.5Å; Y399-K416 HydrophobicContact CD2-CB 4.38Å; Y399-K416 HydrophobicContact CD2-CD 4.36Å; Y399-K416 HydrophobicContact CD2-CG 3.92Å; Y399-K416 HydrophobicContact CE1-CD 3.96Å; Y399-K416 HydrophobicContact CE2-CB 3.68Å; Y399-K416 HydrophobicContact CE2-CD 3.79Å; Y399-K416 HydrophobicContact CE2-CG 3.54Å; Y399-K416 WeakPolarHBondContact O-CE 3.17Å; Y399-H419 HydrophobicContact CD2-CB 3.81Å; Y399-H419 HydrophobicContact CE2-CB 3.69Å; Y399-H419 AromaticContact CE2-CG 3.65Å; Y399-H419 AromaticContact CE2-ND1 3.84Å
400D93.9Very high95.4Very high104 Ų10462.8 Ų62.856%0.55639%0.387SS*.THydrogen-bonded Turntrans-76.4-30177.4-47.7-54.8000112T398 I402 D403T398-D400 VanDerWaalsContact C-N 3.3Å; T398-D400 PolarHBondContact O-N 3.39Å; D400-I402 PolarHBondContact O-N 3.27Å; D400-D403 WeakPolarHBondContact O-CB 3.5Å; D400-D403 PolarHBondContact O-N 2.86Å
401G93.5Very high95.4Very high18 Ų1865.4 Ų65.419%0.18640%0.403CS..Hα-helixtrans-57.1-29.9173.200000113.6T398 D403 A404T398-G401 PolarHBondContact O-N 3.4Å; T398-G401 VanDerWaalsContact O-N 3.12Å; T398-G401 PolarHBondContact OG1-N 3.48Å; T398-G401 VanDerWaalsContact OG1-N 3.13Å; G401-D403 PolarHBondContact O-N 2.95Å; G401-A404 PolarHBondContact O-N 2.64Å; G401-A404 VanDerWaalsContact O-N 3.15Å
402I95.2Very high95.4Very high0 Ų067.1 Ų67.10%041%0.411CS..Hα-helixtrans-59.4-32.1172.8-67.3165.1000112L270 T397 T398 Y399 D400 A404 L405 K412 L415 K416L270-I402 HydrophobicContact CD1-CD1 3.96Å; L270-I402 HydrophobicContact CD2-CD1 3.98Å; L270-I402 HydrophobicContact CG-CD1 4.47Å; T397-I402 HydrophobicContact CG2-CD1 4.44Å; T397-I402 HydrophobicContact CG2-CG1 3.71Å; T398-I402 PolarHBondContact O-N 2.84Å; Y399-I402 WeakPolarHBondContact O-CB 3.38Å; D400-I402 PolarHBondContact O-N 3.27Å; I402-A404 VanDerWaalsContact C-N 3.31Å; I402-A404 PolarHBondContact O-N 2.75Å; I402-L405 HydrophobicContact CG1-CD1 4.49Å; I402-L405 WeakPolarHBondContact O-CB 3.35Å; I402-L405 PolarHBondContact O-N 2.91Å; I402-K412 HydrophobicContact CG2-CB 3.81Å; I402-K412 HydrophobicContact CG2-CG 4.02Å; I402-K412 WeakPolarHBondContact O-CD 3.32Å; I402-K412 VanDerWaalsContact O-CE 3.28Å; I402-K412 WeakPolarHBondContact O-CE 3.46Å; I402-L415 HydrophobicContact CD1-CB 3.75Å; I402-L415 HydrophobicContact CG1-CB 4.23Å; I402-L415 HydrophobicContact CG1-CD1 4.29Å; I402-L415 HydrophobicContact CG2-CB 4.13Å; I402-L415 HydrophobicContact CG2-CD1 4.05Å; I402-K416 HydrophobicContact CB-CG 4.35Å; I402-K416 HydrophobicContact CD1-CG 3.68Å; I402-K416 HydrophobicContact CG2-CD 4.42Å; I402-K416 HydrophobicContact CG2-CG 4.11Å
403D94.8Very high95.4Very high85 Ų8569.7 Ų69.746%0.45542%0.421SS..Hα-helixtrans-74.2-22.4-180-64.2-33.2000112.8D400 G401 L405 K412 K416D400-D403 WeakPolarHBondContact O-CB 3.5Å; D400-D403 PolarHBondContact O-N 2.86Å; G401-D403 PolarHBondContact O-N 2.95Å; D403-L405 VanDerWaalsContact C-N 3.35Å; D403-K412 PolarHBondContact O-NZ 3.28Å; D403-K416 IonicContact OD1-NZ 2.61Å; D403-K416 PolarHBondContact OD1-NZ 2.99Å; D403-K416 IonicContact OD2-NZ 3.17Å; D403-K416 PolarHBondContact OD2-NZ 3.12Å
404A95.3Very high95.4Very high88 Ų8868.8 Ų68.873%0.72741%0.413SS*.Hα-helixtrans-76.7-18.2171.500000113.5G401 I402G401-A404 PolarHBondContact O-N 2.64Å; G401-A404 VanDerWaalsContact O-N 3.15Å; I402-A404 VanDerWaalsContact C-N 3.31Å; I402-A404 PolarHBondContact O-N 2.75Å
405L95.4Very high95.4Very high48 Ų4868.4 Ų68.425%0.25141%0.411SS..SBendtrans-66.3140.9-174.5-63.6177.9000112.6I393 I402 D403 I407 K412 L415I393-L405 HydrophobicContact CG2-CD1 4.02Å; I402-L405 HydrophobicContact CG1-CD1 4.49Å; I402-L405 WeakPolarHBondContact O-CB 3.35Å; I402-L405 PolarHBondContact O-N 2.91Å; D403-L405 VanDerWaalsContact C-N 3.35Å; L405-I407 HydrophobicContact CB-CD1 3.89Å; L405-I407 HydrophobicContact CB-CG1 3.76Å; L405-I407 HydrophobicContact CD1-CD1 3.95Å; L405-I407 PolarHBondContact O-N 2.85Å; L405-K412 WeakPolarHBondContact O-CE 3.4Å; L405-K412 PolarHBondContact O-NZ 3.35Å; L405-L415 HydrophobicContact CD1-CD1 3.81Å
406P96.1Very high95.4Very high137 Ų13765.4 Ų65.489%0.8939%0.394SS*.SBendtrans-80.853.5-178.934.8-37.5000112.4
407I96.2Very high95.4Very high54 Ų5465.4 Ų65.428%0.27738%0.383SS..SBendtrans-127.5155.1-174.658.2175.9000111.8L405 V411 K412 L415L405-I407 HydrophobicContact CB-CD1 3.89Å; L405-I407 HydrophobicContact CB-CG1 3.76Å; L405-I407 HydrophobicContact CD1-CD1 3.95Å; L405-I407 PolarHBondContact O-N 2.85Å; I407-V411 HydrophobicContact CB-CB 4.42Å; I407-V411 HydrophobicContact CD1-CB 4.17Å; I407-V411 HydrophobicContact CD1-CG1 3.97Å; I407-K412 HydrophobicContact CD1-CG 3.93Å; I407-K412 HydrophobicContact CG1-CD 4.45Å; I407-K412 HydrophobicContact CG1-CG 3.72Å; I407-K412 WeakPolarHBondContact O-CE 3.2Å; I407-L415 HydrophobicContact CD1-CD1 3.59Å
408P97.3Very high95.4Very high78 Ų7864.1 Ų64.151%0.50637%0.374SS..  trans-60.1147.8179.7-24.134.3000112.9S410 V411 K412P408-S410 PolarHBondContact O-N 2.86Å; P408-S410 VanDerWaalsContact O-N 3.12Å; P408-V411 HydrophobicContact CB-CG2 4.3Å; P408-V411 HydrophobicContact CG-CG2 4.36Å; P408-V411 WeakPolarHBondContact O-CA 3.48Å; P408-V411 WeakPolarHBondContact O-CB 3.4Å; P408-V411 PolarHBondContact O-N 3.1Å; P408-K412 PolarHBondContact O-N 3.39Å
409P95.8Very high95.3Very high100 Ų10061.8 Ų61.865%0.64936%0.357SS*.Hα-helixtrans-55.8-32.4-178.4-28.535.7000114.8V411 K412 L413P409-V411 VanDerWaalsContact C-N 3.26Å; P409-V411 PolarHBondContact O-N 3.22Å; P409-K412 PolarHBondContact O-N 3.29Å; P409-L413 WeakPolarHBondContact O-CG 3.31Å; P409-L413 PolarHBondContact O-N 3.22Å
410S96.4Very high95.2Very high87 Ų8761.2 Ų61.261%0.60836%0.355SS*.Hα-helixtrans-63.8-29.5174.452.50000113.4P408 Y414P408-S410 PolarHBondContact O-N 2.86Å; P408-S410 VanDerWaalsContact O-N 3.12Å; S410-Y414 PolarHBondContact O-N 3Å
411V96.3Very high95Very high57 Ų5760.7 Ų60.735%0.34535%0.347SS..Hα-helixtrans-80.2-35174.8-168.40000110.4I407 P408 P409 Y414 L415I407-V411 HydrophobicContact CB-CB 4.42Å; I407-V411 HydrophobicContact CD1-CB 4.17Å; I407-V411 HydrophobicContact CD1-CG1 3.97Å; P408-V411 HydrophobicContact CB-CG2 4.3Å; P408-V411 HydrophobicContact CG-CG2 4.36Å; P408-V411 WeakPolarHBondContact O-CA 3.48Å; P408-V411 WeakPolarHBondContact O-CB 3.4Å; P408-V411 PolarHBondContact O-N 3.1Å; P409-V411 VanDerWaalsContact C-N 3.26Å; P409-V411 PolarHBondContact O-N 3.22Å; V411-Y414 PolarHBondContact O-N 3.41Å; V411-L415 WeakPolarHBondContact O-CG 3.33Å; V411-L415 PolarHBondContact O-N 3.34Å
412K96.2Very high94.6Very high41 Ų4160.1 Ų60.118%0.17834%0.341CS..Hα-helixtrans-60.1-46.5172.4-63.2-171.8173.9-1780111.8I402 D403 L405 I407 P408 P409 Y414 L415 K416I402-K412 HydrophobicContact CG2-CB 3.81Å; I402-K412 HydrophobicContact CG2-CG 4.02Å; I402-K412 WeakPolarHBondContact O-CD 3.32Å; I402-K412 VanDerWaalsContact O-CE 3.28Å; I402-K412 WeakPolarHBondContact O-CE 3.46Å; D403-K412 PolarHBondContact O-NZ 3.28Å; L405-K412 WeakPolarHBondContact O-CE 3.4Å; L405-K412 PolarHBondContact O-NZ 3.35Å; I407-K412 HydrophobicContact CD1-CG 3.93Å; I407-K412 HydrophobicContact CG1-CD 4.45Å; I407-K412 HydrophobicContact CG1-CG 3.72Å; I407-K412 WeakPolarHBondContact O-CE 3.2Å; P408-K412 PolarHBondContact O-N 3.39Å; P409-K412 PolarHBondContact O-N 3.29Å; K412-Y414 VanDerWaalsContact C-N 3.33Å; K412-Y414 PolarHBondContact O-N 3.31Å; K412-L415 PolarHBondContact O-N 3.04Å; K412-K416 WeakPolarHBondContact O-CB 3.41Å; K412-K416 WeakPolarHBondContact O-CG 3.3Å; K412-K416 PolarHBondContact O-N 2.87Å
413L95.8Very high94Very high129 Ų12966.1 Ų66.168%0.67537%0.367SS*.Hα-helixtrans-58.8-43.6172.7-69.7172.5000111.8P409 K416 E417P409-L413 WeakPolarHBondContact O-CG 3.31Å; P409-L413 PolarHBondContact O-N 3.22Å; L413-K416 PolarHBondContact O-N 3.39Å; L413-E417 PolarHBondContact O-N 3.01Å
414Y96.4Very high92.7Very high51 Ų5165.6 Ų65.620%0.237%0.366CS..Hα-helixtrans-62.9-41.6176.5178.5-109.9000112.8Q386 H387 R390 S410 V411 K412Q386-Y414 HydrophobicContact CG-CD1 4.24Å; Q386-Y414 HydrophobicContact CG-CE1 3.6Å; Q386-Y414 VanDerWaalsContact NE2-CD1 3.33Å; Q386-Y414 VanDerWaalsContact NE2-CE1 3.27Å; H387-Y414 WeakPolarHBondContact CA-OH 3.43Å; R390-Y414 HydrophobicContact CB-CE1 3.87Å; R390-Y414 VanDerWaalsContact CD-CE1 3.41Å; R390-Y414 HydrophobicContact CG-CE1 4.28Å; R390-Y414 PolarHBondContact NE-O 3.37Å; R390-Y414 PolarHBondContact NH1-O 2.71Å; R390-Y414 PolarHBondContact NH2-O 3.15Å; S410-Y414 PolarHBondContact O-N 3Å; V411-Y414 PolarHBondContact O-N 3.41Å; K412-Y414 VanDerWaalsContact C-N 3.33Å; K412-Y414 PolarHBondContact O-N 3.31Å
415L96Very high91Very high2 Ų270.5 Ų70.51%0.0137%0.366CS..Hα-helixtrans-61.5-47.5174.9-66.1177.1000110.9R390 I393 I402 L405 I407 V411 K412 E417R390-L415 HydrophobicContact CB-CD2 3.75Å; R390-L415 HydrophobicContact CG-CD2 3.69Å; R390-L415 PolarHBondContact NE-O 3.2Å; R390-L415 PolarHBondContact NH2-O 3.19Å; R390-L415 VanDerWaalsContact NH2-O 3.12Å; I393-L415 HydrophobicContact CB-CD2 4.25Å; I393-L415 HydrophobicContact CD1-CD2 4.39Å; I393-L415 HydrophobicContact CG2-CD1 3.76Å; I393-L415 HydrophobicContact CG2-CD2 4.09Å; I402-L415 HydrophobicContact CD1-CB 3.75Å; I402-L415 HydrophobicContact CG1-CB 4.23Å; I402-L415 HydrophobicContact CG1-CD1 4.29Å; I402-L415 HydrophobicContact CG2-CB 4.13Å; I402-L415 HydrophobicContact CG2-CD1 4.05Å; L405-L415 HydrophobicContact CD1-CD1 3.81Å; I407-L415 HydrophobicContact CD1-CD1 3.59Å; V411-L415 WeakPolarHBondContact O-CG 3.33Å; V411-L415 PolarHBondContact O-N 3.34Å; K412-L415 PolarHBondContact O-N 3.04Å; L415-E417 PolarHBondContact O-N 3.28Å; L415-E417 VanDerWaalsContact O-N 3.13Å
416K95.1Very high89.2Confident23 Ų2372.2 Ų72.210%0.138%0.378CS..Hα-helixtrans-65.9-7.9-175.7-78.5-177.7160.8179.40116.3Y399 I402 D403 K412 L413 Y418 H419Y399-K416 HydrophobicContact CD1-CD 4.5Å; Y399-K416 HydrophobicContact CD2-CB 4.38Å; Y399-K416 HydrophobicContact CD2-CD 4.36Å; Y399-K416 HydrophobicContact CD2-CG 3.92Å; Y399-K416 HydrophobicContact CE1-CD 3.96Å; Y399-K416 HydrophobicContact CE2-CB 3.68Å; Y399-K416 HydrophobicContact CE2-CD 3.79Å; Y399-K416 HydrophobicContact CE2-CG 3.54Å; Y399-K416 WeakPolarHBondContact O-CE 3.17Å; I402-K416 HydrophobicContact CB-CG 4.35Å; I402-K416 HydrophobicContact CD1-CG 3.68Å; I402-K416 HydrophobicContact CG2-CD 4.42Å; I402-K416 HydrophobicContact CG2-CG 4.11Å; D403-K416 IonicContact OD1-NZ 2.61Å; D403-K416 PolarHBondContact OD1-NZ 2.99Å; D403-K416 IonicContact OD2-NZ 3.17Å; D403-K416 PolarHBondContact OD2-NZ 3.12Å; K412-K416 WeakPolarHBondContact O-CB 3.41Å; K412-K416 WeakPolarHBondContact O-CG 3.3Å; K412-K416 PolarHBondContact O-N 2.87Å; L413-K416 PolarHBondContact O-N 3.39Å; K416-Y418 PolarHBondContact O-N 2.93Å; K416-H419 PolarHBondContact O-ND1 3.13Å
417E94Very high87Confident107 Ų10770 Ų7050%0.536%0.359SS..THydrogen-bonded Turntrans-65.6-27.5-173.8146.8-171.6-10500115R390 L413 L415 H419R390-E417 IonicContact CZ-OE2 3.51Å; R390-E417 IonicContact NH1-OE2 3.32Å; R390-E417 PolarHBondContact NH1-OE2 3.34Å; R390-E417 IonicContact NH2-OE2 2.67Å; L413-E417 PolarHBondContact O-N 3.01Å; L415-E417 PolarHBondContact O-N 3.28Å; L415-E417 VanDerWaalsContact O-N 3.13Å; E417-H419 PolarHBondContact O-N 3.37Å
418Y94.3Very high84.8Confident10 Ų1075.7 Ų75.74%0.03938%0.376CS..SBendtrans-97.376.7174.9-68.1-61.4000110.1V271 L274 Y283 D308 L315 F316 H387 R390 K416V271-Y418 PolarHBondContact N-O 2.92Å; L274-Y418 HydrophobicContact CD1-CD2 3.74Å; L274-Y418 HydrophobicContact CD1-CE2 4.35Å; L274-Y418 HydrophobicContact CD1-CG 3.89Å; L274-Y418 HydrophobicContact CD2-CD2 3.92Å; L274-Y418 HydrophobicContact CD2-CG 4.32Å; L274-Y418 HydrophobicContact CG-CD2 4.47Å; Y283-Y418 PolarHBondContact OH-OH 3.43Å; D308-Y418 PolarHBondContact OD2-OH 2.86Å; L315-Y418 HydrophobicContact CD2-CD1 4.49Å; F316-Y418 HydrophobicContact CE1-CD1 4.36Å; F316-Y418 HydrophobicContact CE1-CE1 4.2Å; F316-Y418 HydrophobicContact CZ-CD1 4.11Å; F316-Y418 HydrophobicContact CZ-CE1 4.4Å; H387-Y418 AromaticContact CE1-CE2 2.96Å; H387-Y418 WeakPolarHBondContact CE1-CE2 3.43Å; H387-Y418 AromaticContact CE1-CZ 3.06Å; H387-Y418 PolarHBondContact CE1-OH 2.95Å; R390-Y418 VanDerWaalsContact NH1-CE2 3.3Å; K416-Y418 PolarHBondContact O-N 2.93Å
419H93.8Very high82.8Confident41 Ų4175.8 Ų75.819%0.1937%0.372CS..EExtended strand (participates in β ladder)trans-133.3149.6176.775.8-89.6000111.6H268 C269 Y399 K416 E417H268-H419 AromaticContact CE1-NE2 3.65Å; H268-H419 AromaticContact CG-CD2 3.87Å; H268-H419 AromaticContact ND1-CD2 3.11Å; H268-H419 PolarHBondContact ND1-CD2 3.19Å; H268-H419 AromaticContact ND1-CE1 3.9Å; H268-H419 AromaticContact ND1-NE2 2.92Å; H268-H419 PolarHBondContact ND1-NE2 3.41Å; C269-H419 CarbonylContact O-C 3.58Å; C269-H419 WeakPolarHBondContact O-CA 3.38Å; C269-H419 VanDerWaalsContact O-CB 3.29Å; C269-H419 WeakPolarHBondContact O-CB 3.46Å; Y399-H419 HydrophobicContact CD2-CB 3.81Å; Y399-H419 HydrophobicContact CE2-CB 3.69Å; Y399-H419 AromaticContact CE2-CG 3.65Å; Y399-H419 AromaticContact CE2-ND1 3.84Å; K416-H419 PolarHBondContact O-ND1 3.13Å; E417-H419 PolarHBondContact O-N 3.37Å
420Y92.3Very high80.7Confident26 Ų2676.5 Ų76.510%0.10237%0.37CS..EExtended strand (participates in β ladder)trans-106.1163.6170.361.5-97.7000111.1H268 C269 L270 V271 Q333 H336 F338H268-Y420 WeakPolarHBondContact CA-O 3.48Å; C269-Y420 HydrophobicContact CB-CD1 4.31Å; C269-Y420 HydrophobicContact CB-CD2 3.97Å; C269-Y420 HydrophobicContact CB-CE1 3.84Å; C269-Y420 HydrophobicContact CB-CE2 3.48Å; C269-Y420 VanDerWaalsContact CB-CE2 3.48Å; C269-Y420 HydrophobicContact CB-CG 4.38Å; C269-Y420 VanDerWaalsContact CB-CZ 3.42Å; C269-Y420 PolarHBondContact N-O 2.97Å; C269-Y420 WeakPolarHBondContact O-CD1 3.42Å; C269-Y420 PolarHBondContact O-N 3.38Å; L270-Y420 WeakPolarHBondContact O-CE1 3.49Å; V271-Y420 HydrophobicContact CG2-CD1 4.5Å; Q333-Y420 HydrophobicContact CG-CD1 4.33Å; Q333-Y420 HydrophobicContact CG-CD2 3.7Å; Q333-Y420 HydrophobicContact CG-CE2 4.17Å; Q333-Y420 HydrophobicContact CG-CG 3.75Å; H336-Y420 AromaticContact ND1-CE2 3.55Å; H336-Y420 AromaticContact ND1-CZ 3.69Å; H336-Y420 PolarHBondContact ND1-OH 2.78Å; F338-Y420 HydrophobicContact CE1-CD1 4.23Å; F338-Y420 AromaticContact CZ-CD1 3.88Å; F338-Y420 HydrophobicContact CZ-CD1 3.88Å; F338-Y420 AromaticContact CZ-CE1 3.83Å; F338-Y420 HydrophobicContact CZ-CE1 3.83Å
421K89.7Confident78.4Confident92 Ų9277.6 Ų77.640%0.437%0.373SS..EExtended strand (participates in β ladder)trans-110.690.3-174.4-56.4169.2-167.5156.80109.9Y266 D313Y266-K421 HydrophobicContact CD1-CB 3.88Å; D313-K421 IonicContact OD1-NZ 2.62Å; D313-K421 PolarHBondContact OD1-NZ 3.38Å
422S85.3Confident76Confident7 Ų780.1 Ų80.15%0.04939%0.391CS..EExtended strand (participates in β ladder)trans-75.1132.7177.2-163.20000110.8Y266 V267 H336Y266-S422 CarbonylContact C-O 3.58Å; Y266-S422 VanDerWaalsContact CA-O 3.32Å; Y266-S422 WeakPolarHBondContact CA-O 3.35Å; V267-S422 PolarHBondContact N-O 3.12Å; V267-S422 PolarHBondContact O-N 3.28Å; H336-S422 PolarHBondContact CE1-OG 3.24Å; H336-S422 PolarHBondContact NE2-OG 2.88Å
423K81.4Confident73.5Confident126 Ų12686.3 Ų86.355%0.54842%0.42SS..EExtended strand (participates in β ladder)trans-85.1114.7177.8-69.1171.2-176.21720109.2I264 Y266I264-K423 HydrophobicContact CG2-CG 4.22Å; Y266-K423 HydrophobicContact CD1-CG 3.77Å; Y266-K423 HydrophobicContact CE1-CD 4.09Å; Y266-K423 HydrophobicContact CE1-CG 3.36Å; Y266-K423 WeakPolarHBondContact OH-CE 3.24Å
424V68Low71Confident74 Ų7489.2 Ų89.245%0.44843%0.43SS..EExtended strand (participates in β ladder)trans-99.6-31.3-166.8173.80000114.2D265 V267D265-V424 PolarHBondContact O-N 3.36Å; V267-V424 HydrophobicContact CB-CG2 3.77Å; V267-V424 HydrophobicContact CG2-CB 4.29Å; V267-V424 HydrophobicContact CG2-CG2 3.54Å
425R59.1Low68.4Low191 Ų19195.5 Ų95.572%0.72146%0.462SS*.EExtended strand (participates in β ladder)trans-162.2161.3162.4-96.9123.2-159-112.93.8110.9D265D265-R425 PolarHBondContact N-O 3.39Å
426V57.2Low65.8Low84 Ų84104.3 Ų104.351%0.50952%0.523SS..EExtended strand (participates in β ladder)trans-100.4110.7159.6-174.20000107.1T262 Q263 I264 R428T262-V426 HydrophobicContact CG2-CG1 3.84Å; Q263-V426 CarbonylContact O-C 3.58Å; Q263-V426 WeakPolarHBondContact O-CA 3.38Å; I264-V426 HydrophobicContact CG1-CG1 4.45Å; I264-V426 HydrophobicContact CG1-CG2 4.24Å; V426-R428 PolarHBondContact O-N 3.46Å
427L51.4Low64.3Low91 Ų91108.4 Ų108.448%0.47655%0.545SS..EExtended strand (participates in β ladder)trans-81.7113170.2-71.6174.2000108.1T262 Q263 I429T262-L427 WeakPolarHBondContact CA-O 3.48Å; Q263-L427 PolarHBondContact N-O 3.48Å; Q263-L427 PolarHBondContact O-N 3.02Å; L427-I429 PolarHBondContact O-N 2.99Å
428R50Low62.8Low172 Ų172108.5 Ų108.565%0.64955%0.547SS*.EExtended strand (participates in β ladder)trans-72.5114.1159.9-77.3-177.1170.2-178.6-4.7107.2T262 V426 D430T262-R428 HydrophobicContact CG2-CG 4.34Å; V426-R428 PolarHBondContact O-N 3.46Å; R428-D430 PolarHBondContact O-N 3.4Å
429I54.1Low61Low81 Ų81113.9 Ų113.942%0.41558%0.575SS.*EExtended strand (participates in β ladder)trans-85.7100.4166.9-54.3-177.2000106.5H261 L427H261-I429 HydrophobicContact CB-CB 4.42Å; H261-I429 PolarHBondContact O-N 3.41Å; L427-I429 PolarHBondContact O-N 2.99Å
430D52.1Low59.1Low114 Ų114118.2 Ų118.261%0.6160%0.598SS**PPolyproline II helixtrans-68.2129.6165.9-62.7-43.1000108.1R428R428-D430 PolarHBondContact O-N 3.4Å
431V47.8Very low57Low111 Ų111124 Ų12467%0.67363%0.629SS**PPolyproline II helixtrans-71.9128.2-177.9179.60000108.2E433V431-E433 PolarHBondContact O-N 3.18Å
432P46.4Very low54.9Low109 Ų109126.1 Ų126.171%0.70864%0.644SS**PPolyproline II helixtrans-63.3128.1176.326.3-33.8000109.7Q434P432-Q434 PolarHBondContact O-N 2.99Å
433E43.9Very low52.7Low171 Ų171134.6 Ų134.680%0.79969%0.687SS**PPolyproline II helixtrans-56.5120.2176.5-64.9179.9146.300110.1V431 Q435V431-E433 PolarHBondContact O-N 3.18Å; E433-Q435 VanDerWaalsContact C-N 3.31Å; E433-Q435 PolarHBondContact O-N 3.3Å
434Q43.2Very low50.5Low191 Ų191135.3 Ų135.389%0.89370%0.697SS**  trans-74.890.8167.3-69.5-168.3-5700108.2P432 S436P432-Q434 PolarHBondContact O-N 2.99Å; Q434-S436 PolarHBondContact O-N 3.25Å
435Q42.3Very low49Very low183 Ų183140.4 Ų140.486%0.85572%0.718SS**  trans-60120.4170.5-67.3-179.5-9.500109.2E433E433-Q435 VanDerWaalsContact C-N 3.31Å; E433-Q435 PolarHBondContact O-N 3.3Å
436S40.6Very low48.1Very low187 Ų187135.8 Ų135.8100%1.30872%0.718SS**  trans-107.10-177.363.90000111.9Q434Q434-S436 PolarHBondContact O-N 3.25Å

Retrieved 436 of 436 residues in 304.6 ms (Link to these results)