A0A089VFD8_ICTPU Loading...

Suppressor of cytokine signaling 4

AlphaFold DB , UniProt , Accession A0A089VFD8, Species ICTPU (Ictalurus punctatus, Channel catfish), Gene SOCS4, Length 387 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
1M35.1Very low34.6Very low246 Ų246165.5 Ų165.5100%1.21288%0.881SS**  01260-77.3-173.5153.600107.9
2S39.9Very low35.1Very low124 Ų124162.4 Ų162.487%0.86785%0.848SS**  trans-76.7128.9178.9-74.40000109.8
3E33.9Very low34.6Very low192 Ų192158.4 Ų158.490%0.89784%0.837SS**  trans-118.394.9161.1-72.1-163.9115.100109.4
4K41.8Very low34.9Very low215 Ų215160.7 Ų160.794%0.93584%0.837SS**  trans-61.5124.8157.6-94.1172168.2170.70107.6
5K33.4Very low34.6Very low204 Ų204159.1 Ų159.189%0.88783%0.83SS**  trans-123.3134.9164.1-146.1149.4-176.9171.70110.9
6S33.5Very low34.8Very low109 Ų109158.1 Ų158.176%0.76283%0.825SS**  trans-74.3138.4-152.143.70000114.5
7R35.6Very low35.3Very low236 Ų236155 Ų15589%0.89180%0.8SS**  trans-68.3134.9162.5-67178.4175.7-178.7-2.4109.1S9R7-S9 PolarHBondContact O-N 3.16Å
8P29.7Very low35.1Very low128 Ų128150.7 Ų150.783%0.83179%0.785SS**  trans-72114.4165.928.5-28.7000108.3D10P8-D10 PolarHBondContact O-N 3.12Å
9S40.6Very low35.5Very low114 Ų114155.8 Ų155.880%0.79779%0.793SS**  trans-77.999.8167.449.70000108.4R7R7-S9 PolarHBondContact O-N 3.16Å
10D29.7Very low35.3Very low163 Ų163152.8 Ų152.887%0.87279%0.787SS**  trans-126.477.5157.5-135.5-15000108P8 R12P8-D10 PolarHBondContact O-N 3.12Å; D10-R12 PolarHBondContact O-N 3.01Å
11A27.7Very low35.1Very low89 Ų89151.3 Ų151.374%0.73679%0.785SS**  trans-74106.6176.200000107.9
12R40.7Very low34.9Very low129 Ų129144.5 Ų144.549%0.48775%0.753SS.*  trans-43.4133.8161.6-176.5177.9-177.8164.6-3.5109.5D10 K14 D271D10-R12 PolarHBondContact O-N 3.01Å; R12-K14 PolarHBondContact O-N 3.2Å; R12-K14 VanDerWaalsContact O-N 3.08Å; R12-D271 VanDerWaalsContact NH1-C 3.27Å; R12-D271 PolarHBondContact NH1-O 2.89Å
13P29Very low34.5Very low110 Ų110143.6 Ų143.671%0.71475%0.747SS**  trans-58.8121175.421.6-30000109.4N15P13-N15 PolarHBondContact O-N 2.9Å
14K38.1Very low34.5Very low191 Ų191144.5 Ų144.583%0.8374%0.744SS**SBendtrans-67.778.1171.6-65.1175.9-179.3175.20108.9R12R12-K14 PolarHBondContact O-N 3.2Å; R12-K14 VanDerWaalsContact O-N 3.08Å
15N31Very low34.2Very low137 Ų137141.4 Ų141.473%0.73374%0.736SS**  trans171.2102.2159.6-96.2-37000109.6P13P13-N15 PolarHBondContact O-N 2.9Å
16L37.1Very low34.4Very low143 Ų143140.5 Ų140.575%0.74973%0.727SS**SBendtrans-179.323131.3-123.677.4000114.4S18L16-S18 PolarHBondContact O-N 3.13Å
17R44.2Very low34.2Very low105 Ų105140.3 Ų140.340%0.39673%0.726SS.*SBendtrans-84.558139-73-162.3-156.4-134.813.1107.5W19 D267 Y273R17-W19 PolarHBondContact O-N 3.45Å; R17-D267 IonicContact NH1-OD2 3.02Å; R17-Y273 PolarHBondContact NH2-O 3.15Å
18S31.1Very low34.2Very low77 Ų77134.5 Ų134.554%0.53872%0.716SS.*  trans-59.7109.7166.342.40000105.8L16 S20L16-S18 PolarHBondContact O-N 3.13Å; S18-S20 VanDerWaalsContact C-N 3.3Å; S18-S20 PolarHBondContact O-N 3.04Å
19W42.3Very low34.2Very low248 Ų248137.3 Ų137.394%0.93972%0.715SS**  trans-48.7103.4158.5-78.9-9000107.3R17R17-W19 PolarHBondContact O-N 3.45Å
20S31.5Very low33.9Very low96 Ų96141.2 Ų141.267%0.67172%0.718SS**  trans-145.8113.7170.7-133.80000110.3S18S18-S20 VanDerWaalsContact C-N 3.3Å; S18-S20 PolarHBondContact O-N 3.04Å
21V30.6Very low33.9Very low121 Ų121144.9 Ų144.973%0.73372%0.719SS**SBendtrans69.164.1156-159.20000115.9
22D32.5Very low33.9Very low104 Ų104146 Ų14656%0.55672%0.722SS**  trans-163.633.7143.6-98.9-22.7000112.2Y24D22-Y24 VanDerWaalsContact C-N 3.28Å; D22-Y24 PolarHBondContact O-N 3.39Å
23S30.5Very low33.6Very low105 Ų105151.6 Ų151.673%0.73474%0.743SS**  trans-76.979169.235.40000110.2I25S23-I25 VanDerWaalsContact C-N 3.26Å; S23-I25 PolarHBondContact O-N 2.82Å
24Y33.8Very low33.5Very low211 Ų211149.3 Ų149.383%0.82774%0.74SS**  trans-68.893157.1-77.8-84.3000108.3D22 R26D22-Y24 VanDerWaalsContact C-N 3.28Å; D22-Y24 PolarHBondContact O-N 3.39Å; Y24-R26 PolarHBondContact O-N 3.36Å
25I35.7Very low33.2Very low150 Ų150146 Ų14677%0.76974%0.738SS**  trans-52.3103.9167.3-62.1-83000107.7S23 S27S23-I25 VanDerWaalsContact C-N 3.26Å; S23-I25 PolarHBondContact O-N 2.82Å; I25-S27 PolarHBondContact O-N 3.33Å
26R38Very low33.2Very low184 Ų184151.1 Ų151.169%0.69475%0.747SS**  trans-74.497.6164.8-158.1177.9-158.6159.65.7106.8Y24 V28 N339Y24-R26 PolarHBondContact O-N 3.36Å; R26-V28 VanDerWaalsContact C-N 3.29Å; R26-V28 PolarHBondContact O-N 3.02Å; R26-N339 PolarHBondContact NH1-ND2 2.84Å
27S29.8Very low32.9Very low106 Ų106153 Ų15374%0.74175%0.751SS**  trans-65.192.7166.1-177.50000108.4I25 K29I25-S27 PolarHBondContact O-N 3.33Å; S27-K29 PolarHBondContact O-N 3.13Å
28V35.1Very low32.2Very low114 Ų114155.3 Ų155.369%0.69177%0.772SS**  trans-72.1107161.6177.10000106.1R26 K30R26-V28 VanDerWaalsContact C-N 3.29Å; R26-V28 PolarHBondContact O-N 3.02Å; V28-K30 PolarHBondContact O-N 3.14Å
29K29.8Very low32.4Very low186 Ų186156.1 Ų156.181%0.80978%0.783SS**  trans-56.597.6173.8-171.7164.7-179.2171.10109.1S27 R31S27-K29 PolarHBondContact O-N 3.13Å; K29-R31 PolarHBondContact O-N 2.85Å
30K33Very low32.1Very low196 Ų196150.6 Ų150.685%0.85278%0.779SS**  trans-57.6107.1169.8-77.7-177.5176.5178.80108.2V28 S32V28-K30 PolarHBondContact O-N 3.14Å; K30-S32 VanDerWaalsContact C-N 3.32Å; K30-S32 PolarHBondContact O-N 2.93Å; K30-S32 VanDerWaalsContact O-N 3.12Å
31R30.3Very low32.2Very low240 Ų240150.4 Ų150.491%0.90678%0.783SS**  trans-73.294159-78.3-176.4175.8-175.5-1.3106.5K29 R33K29-R31 PolarHBondContact O-N 2.85Å; R31-R33 PolarHBondContact O-N 3.06Å; R31-R33 VanDerWaalsContact O-N 3.16Å
32S28.3Very low32.3Very low114 Ų114156.8 Ų156.880%0.79779%0.794SS**  trans-64.5107.8167.151.20000108.8K30K30-S32 VanDerWaalsContact C-N 3.32Å; K30-S32 PolarHBondContact O-N 2.93Å; K30-S32 VanDerWaalsContact O-N 3.12Å
33R33.5Very low32Very low245 Ų245155.7 Ų155.793%0.92581%0.808SS**  trans-85.5112.4155.9-76.4-178.1171.7174-2.7106R31R31-R33 PolarHBondContact O-N 3.06Å; R31-R33 VanDerWaalsContact O-N 3.16Å
34G28.6Very low32Very low63 Ų63154.5 Ų154.565%0.64981%0.812SS**PPolyproline II helixtrans-67.1147.8175.300000111
35P31.5Very low31.9Very low120 Ų120153.1 Ų153.178%0.77981%0.813SS**PPolyproline II helixtrans-75.8133.4173.430.3-29.4000109.7
36R30.3Very low31.8Very low246 Ų246152.7 Ų152.793%0.92881%0.812SS**PPolyproline II helixtrans-71.7124.6164-69.6-175.7175.6-167.9-2.1107.2
37H30.9Very low31.6Very low182 Ų182149.4 Ų149.484%0.84381%0.813SS**PPolyproline II helixtrans-86.8121.9169.4-111.6-83.3000108.7
38D30.3Very low31.6Very low154 Ų154152 Ų15282%0.82482%0.818SS**PPolyproline II helixtrans-70.2138.8164.9-74.3-45.4000110
39A33.9Very low31.4Very low94 Ų94150.3 Ų150.378%0.77782%0.816SS**PPolyproline II helixtrans-85.4157.1169.600000110.7
40P37.2Very low32.2Very low132 Ų132146.8 Ų146.886%0.85781%0.812SS**  -134.8159.9126.932.3-17.7000113.9
41A32.5Very low32.1Very low92 Ų92143.7 Ų143.776%0.7681%0.805SS**  trans-86.3176.9-17400000114.5
42R32.1Very low32.1Very low255 Ų255141.2 Ų141.296%0.96280%0.804SS**  trans103.1128175.3-62.9178.3172.1-157.3-3.2111.8
43G28Very low32.2Very low81 Ų81143.3 Ų143.384%0.83580%0.801SS**  cis147.7145.811.200000106.9
44G30.5Very low32Very low80 Ų80139.2 Ų139.283%0.82580%0.797SS**  trans130.4134.4168.300000115.5
45E31.3Very low32.1Very low181 Ų181141.5 Ų141.585%0.84680%0.798SS**  trans-87.8168-162.3-67.8152114.600115.9
46D32.5Very low31.9Very low141 Ų141146.4 Ų146.475%0.75480%0.801SS**  trans91.5115.7142.9-71.9-19.2000124.6
47V33.8Very low31.7Very low116 Ų116139.4 Ų139.470%0.70379%0.79SS**  trans65.4109.1130.4-171.20000119.3
48D29.8Very low31.5Very low159 Ų159136.9 Ų136.985%0.8579%0.788SS**  176.9152.690.6-140.1-15.7000111.7
49A31.3Very low31.3Very low80 Ų80135 Ų13566%0.66179%0.786SS**  trans-103.7-174.3176.600000109.6
50P47Very low31Very low111 Ų111136.4 Ų136.472%0.72179%0.789SS**  cis-141.7176.96.640.9-19.6000117.6
51D30.1Very low30.7Very low131 Ų131136.1 Ų136.170%0.70179%0.787SS**  trans53.2119.8145.7-94.1-31.8000122.4
52E30.9Very low30.5Very low188 Ų188140.8 Ų140.888%0.87979%0.793SS**  -160.114796.7-100.6-152.5127.100113.1
53Q30.1Very low30.3Very low159 Ų159140.8 Ų140.874%0.74379%0.793SS**  trans-70.9147.8-175.7-72.7153.7-11.400113.1
54N28.6Very low30.2Very low158 Ų158146.6 Ų146.685%0.84579%0.79SS**  178.7160.792.6-150.3-4.3000112.2
55V30.7Very low30.1Very low111 Ų111152.8 Ų152.867%0.67379%0.789SS**  trans-101.1158.2-154.2165.80000113.1
56R28.5Very low29.9Very low224 Ų224151.8 Ų151.885%0.84578%0.784SS**  trans73.6119.3156.7-90.4173.4176.5165.51.9118.8
57S25.9Very low29.7Very low98 Ų98156.6 Ų156.669%0.68579%0.792SS**  90135.559.7-61.20000114.8
58T25.6Very low29.4Very low130 Ų130160.2 Ų160.280%0.79880%0.798SS**  trans96.7119.8149.6710000120.5
59S26.6Very low29.2Very low113 Ų113158.5 Ų158.579%0.7980%0.797SS**  102.1119.2128.875.70000119.8
60C28.2Very low29Very low125 Ų125160.7 Ų160.785%0.84581%0.808SS**  trans-71154.2161-52.90000111.1
61P30.2Very low28Very low125 Ų125161.3 Ų161.381%0.81281%0.813SS**  trans-116.5125.8153.731.5-17.9000112.7
62Q27.9Very low27.8Very low190 Ų190162.2 Ų162.289%0.88882%0.823SS**  trans-69.8125.7170.8-166.9172.7-8.600109.7
63R28.9Very low27.9Very low255 Ų255157.6 Ų157.696%0.96282%0.817SS**  trans-99.9118.4167.7-84.2-167.9-177.6-166.12.3111
64R26.3Very low28.1Very low204 Ų204158.3 Ų158.377%0.7782%0.824SS**  trans-112.6127.8-177.4179-170.8-176.2-146.34.3109.2
65R28.5Very low28Very low210 Ų210154 Ų15479%0.79282%0.818SS**  trans59.6150.3156.2-83.3-173.7172.6175.8-2.3117.3
66E26.3Very low28.4Very low160 Ų160157.3 Ų157.375%0.74883%0.832SS**  cis-151.7151.448.8-76.8-177.516300114.2
67R28.9Very low28.8Very low242 Ų242149.8 Ų149.891%0.91382%0.823SS**  trans-92.4139.6164.2-67174.3176146.6-1.1108
68K26.8Very low29.3Very low191 Ų191150.6 Ų150.683%0.8382%0.82SS**  trans-123111.7164-126.9123.6172.31780108.6
69C25.2Very low30.2Very low124 Ų124151.5 Ų151.584%0.83882%0.819SS**  trans-98129.1160.8-72.80000106.7
70S26.7Very low31Very low126 Ų126150.5 Ų150.588%0.88180%0.804SS**  trans-100.2124.6167.445.30000109.2
71C26.3Very low31.4Very low123 Ų123147 Ų14783%0.83178%0.781SS**  trans-109.3139.7167.644.80000109.2
72T26.9Very low31.7Very low150 Ų150148.3 Ų148.392%0.9278%0.778SS**  trans-116.6144.7163.537.80000108.9
73A32.6Very low32.3Very low91 Ų91142.4 Ų142.475%0.75276%0.757SS**  trans-96.3141.4-170.200000112.7
74I33.9Very low33.1Very low174 Ų174138.5 Ų138.589%0.89274%0.742SS**  trans54.5111.7147.1-52.5174.1000118.8
75G27.8Very low33.9Very low69 Ų69135.9 Ų135.971%0.71174%0.737SS**  trans-151.5128.6152.300000108.1
76D39.3Very low34.7Very low180 Ų180128.7 Ų128.796%0.96372%0.722SS**  trans-61.2129.7-178.9-163.513000110.8
77G36.2Very low35.8Very low65 Ų65123.8 Ų123.867%0.6770%0.701SS**  trans142.8113-179.800000115.4
78D37Very low36.9Very low115 Ų115117 Ų11762%0.61569%0.691SS**  trans80.574.6155.1-145.43.6000118.5D80 S81D78-D80 PolarHBondContact O-N 3.39Å; D78-S81 PolarHBondContact O-N 2.94Å
79I44.6Very low38.2Very low150 Ų150118.8 Ų118.877%0.76969%0.692SS**Hα-helixtrans-61-19.5171.5-72.2165.1000112.4
80D41.5Very low40.1Very low91 Ų91118.6 Ų118.649%0.48767%0.674SS.*Hα-helixtrans-77.6-25.8-177.1-149.349.5000112.8D78 R84D78-D80 PolarHBondContact O-N 3.39Å; D80-R84 IonicContact OD2-CZ 2.78Å; D80-R84 IonicContact OD2-NE 3.87Å; D80-R84 IonicContact OD2-NH2 3.96Å; D80-R84 PolarHBondContact OD2-NH2 3.08Å
81S37.9Very low42.2Very low51 Ų51115.9 Ų115.936%0.35766%0.655SS.*Hα-helixtrans-75.7-29.6176.1-171.90000112.8D78D78-S81 PolarHBondContact O-N 2.94Å
82M35.6Very low43.8Very low153 Ų153117.4 Ų117.475%0.75465%0.654SS**Hα-helixtrans-76.1-33-179.7-139.5-179.5173.400112.3A86M82-A86 PolarHBondContact O-N 3.03Å
83C42.2Very low45.3Very low66 Ų66118.5 Ų118.545%0.44664%0.641SS.*Hα-helixtrans-66.3-41.7176-75.50000112.6K85 A86 L87C83-K85 VanDerWaalsContact C-N 3.33Å; C83-K85 PolarHBondContact O-N 3.11Å; C83-A86 PolarHBondContact O-N 2.87Å; C83-L87 WeakPolarHBondContact O-CD1 3.44Å; C83-L87 VanDerWaalsContact O-CG 3.23Å; C83-L87 WeakPolarHBondContact O-CG 3.45Å; C83-L87 PolarHBondContact O-N 3.08Å; C83-L87 VanDerWaalsContact O-N 3.16Å
84R45.7Very low46.9Very low173 Ų173118.2 Ų118.265%0.65362%0.624SS**Hα-helixtrans-63.8-37.4178.8-63.4-176-144.4-146.82.9112.4D80 S88D80-R84 IonicContact OD2-CZ 2.78Å; D80-R84 IonicContact OD2-NE 3.87Å; D80-R84 IonicContact OD2-NH2 3.96Å; D80-R84 PolarHBondContact OD2-NH2 3.08Å; R84-S88 PolarHBondContact O-N 3.26Å
85K42.3Very low48.9Very low149 Ų149114 Ų11465%0.64860%0.6SS**Hα-helixtrans-73.7-32.2178.4-71.5174.9180168.50113C83C83-K85 VanDerWaalsContact C-N 3.33Å; C83-K85 PolarHBondContact O-N 3.11Å
86A44.5Very low50.7Low59 Ų59117.6 Ų117.649%0.48860%0.596SS.*Hα-helixtrans-72.2-29.2175.400000113.1M82 C83M82-A86 PolarHBondContact O-N 3.03Å; C83-A86 PolarHBondContact O-N 2.87Å
87L50.5Low52Low57 Ų57113 Ų11330%0.29857%0.569SS.*Hα-helixtrans-86.3-20.8-179.1-64.5170.3000114C83 R89 K95C83-L87 WeakPolarHBondContact O-CD1 3.44Å; C83-L87 VanDerWaalsContact O-CG 3.23Å; C83-L87 WeakPolarHBondContact O-CG 3.45Å; C83-L87 PolarHBondContact O-N 3.08Å; C83-L87 VanDerWaalsContact O-N 3.16Å; L87-R89 VanDerWaalsContact C-N 3.26Å; L87-R89 PolarHBondContact O-N 3.29Å; L87-K95 WeakPolarHBondContact O-CE 3.47Å; L87-K95 PolarHBondContact O-NZ 3.48Å
88S51.8Low53.3Low100 Ų100113 Ų11370%0.69955%0.553SS**THydrogen-bonded Turntrans-70.1-21173.1179.70000113R84R84-S88 PolarHBondContact O-N 3.26Å
89R52.9Low54.6Low228 Ų228110 Ų11086%0.8654%0.544SS*.THydrogen-bonded Turntrans-87.3-1.3-177-71.8-175.1167.8-110.8-1.1115.4L87L87-R89 VanDerWaalsContact C-N 3.26Å; L87-R89 PolarHBondContact O-N 3.29Å
90R65.3Low55.4Low120 Ų120104.7 Ų104.745%0.45352%0.519SS..SBendtrans-90.4131.7-179.3-60.6-172.3-170.4-173.27.9110.6Q94 K95 D98R90-Q94 HydrophobicContact CB-CB 4.46Å; R90-K95 HydrophobicContact CB-CG 4.1Å; R90-D98 IonicContact NH1-OD2 3.13Å; R90-D98 PolarHBondContact NH1-OD2 3.33Å
91S70.8Confident56.3Low70 Ų70102.6 Ų102.649%0.4952%0.519SS..  trans-64151174.472.20000110.7R93 Q94 K95S91-R93 PolarHBondContact O-N 3.47Å; S91-R93 VanDerWaalsContact O-N 3.14Å; S91-Q94 WeakPolarHBondContact O-CB 3.47Å; S91-Q94 PolarHBondContact O-N 3.13Å; S91-Q94 PolarHBondContact OG-N 2.97Å; S91-K95 PolarHBondContact O-N 3.45Å; S91-K95 VanDerWaalsContact O-N 3.1Å
92L60.3Low57.1Low154 Ų154104.5 Ų104.581%0.80652%0.522SS*.Hα-helixtrans-50.6-38.9175.4-168.987.4000111.5Q94 K95 F96L92-Q94 PolarHBondContact O-N 3.06Å; L92-K95 PolarHBondContact O-N 2.95Å; L92-F96 WeakPolarHBondContact O-CB 3.43Å; L92-F96 PolarHBondContact O-N 2.95Å
93R59.1Low57.7Low173 Ų173101.8 Ų101.865%0.65352%0.517SS*.Hα-helixtrans-63.2-39.8177.2-171174.3-174.3-91.44.4112.8S91 F96 Q97S91-R93 PolarHBondContact O-N 3.47Å; S91-R93 VanDerWaalsContact O-N 3.14Å; R93-F96 PolarHBondContact O-N 3.48Å; R93-Q97 WeakPolarHBondContact O-CB 3.37Å; R93-Q97 VanDerWaalsContact O-CG 3.28Å; R93-Q97 WeakPolarHBondContact O-CG 3.4Å; R93-Q97 PolarHBondContact O-N 3.31Å
94Q66.6Low57.9Low86 Ų86104 Ų10440%0.40252%0.524SS..Hα-helixtrans-67.2-43.6177.3-163.67249.900110.7R90 S91 L92 F96 Q97 D98R90-Q94 HydrophobicContact CB-CB 4.46Å; S91-Q94 WeakPolarHBondContact O-CB 3.47Å; S91-Q94 PolarHBondContact O-N 3.13Å; S91-Q94 PolarHBondContact OG-N 2.97Å; L92-Q94 PolarHBondContact O-N 3.06Å; Q94-F96 VanDerWaalsContact C-N 3.32Å; Q94-F96 PolarHBondContact O-N 3.16Å; Q94-Q97 PolarHBondContact O-N 3.35Å; Q94-D98 WeakPolarHBondContact O-CB 3.44Å; Q94-D98 PolarHBondContact O-N 2.81Å
95K75.1Confident57.9Low85 Ų85101.8 Ų101.837%0.3753%0.532SS..Hα-helixtrans-61.7-41.9176.6-63-175-179.6-167.30111.7L87 R90 S91 L92 A99L87-K95 WeakPolarHBondContact O-CE 3.47Å; L87-K95 PolarHBondContact O-NZ 3.48Å; R90-K95 HydrophobicContact CB-CG 4.1Å; S91-K95 PolarHBondContact O-N 3.45Å; S91-K95 VanDerWaalsContact O-N 3.1Å; L92-K95 PolarHBondContact O-N 2.95Å; K95-A99 WeakPolarHBondContact O-CB 3.42Å; K95-A99 PolarHBondContact O-N 3.06Å
96F64.8Low57.8Low145 Ų145102.1 Ų102.164%0.63654%0.54SS*.Hα-helixtrans-65.9-45.2176.2-167.7-100.1000111.7L92 R93 Q94 D98 A99 V100L92-F96 WeakPolarHBondContact O-CB 3.43Å; L92-F96 PolarHBondContact O-N 2.95Å; R93-F96 PolarHBondContact O-N 3.48Å; Q94-F96 VanDerWaalsContact C-N 3.32Å; Q94-F96 PolarHBondContact O-N 3.16Å; F96-D98 VanDerWaalsContact C-N 3.33Å; F96-D98 PolarHBondContact O-N 2.91Å; F96-A99 PolarHBondContact O-N 3.04Å; F96-V100 HydrophobicContact CD1-CG2 3.74Å; F96-V100 HydrophobicContact CD2-CG2 4.36Å; F96-V100 HydrophobicContact CE1-CG2 3.49Å; F96-V100 VanDerWaalsContact CE1-CG2 3.49Å; F96-V100 HydrophobicContact CE2-CG2 4.13Å; F96-V100 HydrophobicContact CG-CG2 4.19Å; F96-V100 HydrophobicContact CZ-CG2 3.69Å; F96-V100 WeakPolarHBondContact O-CB 3.41Å; F96-V100 WeakPolarHBondContact O-CG2 3.45Å; F96-V100 PolarHBondContact O-N 2.88Å
97Q67.3Low57.5Low84 Ų84109.9 Ų109.939%0.39356%0.556SS.*Hα-helixtrans-61.9-40.3176.9-75.8178.9-27.600112.7R93 Q94 G101R93-Q97 WeakPolarHBondContact O-CB 3.37Å; R93-Q97 VanDerWaalsContact O-CG 3.28Å; R93-Q97 WeakPolarHBondContact O-CG 3.4Å; R93-Q97 PolarHBondContact O-N 3.31Å; Q94-Q97 PolarHBondContact O-N 3.35Å; Q97-G101 PolarHBondContact O-N 2.92Å
98D63.6Low56.8Low63 Ų63110.2 Ų110.234%0.33757%0.574SS.*Hα-helixtrans-64-43.8176.5-67.7-10.3000110.4R90 Q94 F96 Q102R90-D98 IonicContact NH1-OD2 3.13Å; R90-D98 PolarHBondContact NH1-OD2 3.33Å; Q94-D98 WeakPolarHBondContact O-CB 3.44Å; Q94-D98 PolarHBondContact O-N 2.81Å; F96-D98 VanDerWaalsContact C-N 3.33Å; F96-D98 PolarHBondContact O-N 2.91Å; D98-Q102 WeakPolarHBondContact O-CG 3.3Å; D98-Q102 PolarHBondContact O-N 3.17Å
99A63.7Low55.9Low52 Ų52113.4 Ų113.443%0.4358%0.577SS.*Hα-helixtrans-67.6-45.4178.300000113K95 F96 G101 Q102 C103K95-A99 WeakPolarHBondContact O-CB 3.42Å; K95-A99 PolarHBondContact O-N 3.06Å; F96-A99 PolarHBondContact O-N 3.04Å; A99-G101 VanDerWaalsContact C-N 3.34Å; A99-G101 PolarHBondContact O-N 3.36Å; A99-Q102 PolarHBondContact O-N 3.17Å; A99-C103 PolarHBondContact O-N 3.23Å
100V61.9Low55.1Low39 Ų39111.3 Ų111.324%0.23658%0.577CS.*Hα-helixtrans-69.1-35.4-179.6-176.20000110.8F96 Q102 C103 L104F96-V100 HydrophobicContact CD1-CG2 3.74Å; F96-V100 HydrophobicContact CD2-CG2 4.36Å; F96-V100 HydrophobicContact CE1-CG2 3.49Å; F96-V100 VanDerWaalsContact CE1-CG2 3.49Å; F96-V100 HydrophobicContact CE2-CG2 4.13Å; F96-V100 HydrophobicContact CG-CG2 4.19Å; F96-V100 HydrophobicContact CZ-CG2 3.69Å; F96-V100 WeakPolarHBondContact O-CB 3.41Å; F96-V100 WeakPolarHBondContact O-CG2 3.45Å; F96-V100 PolarHBondContact O-N 2.88Å; V100-Q102 PolarHBondContact O-N 2.97Å; V100-C103 PolarHBondContact O-N 3.35Å; V100-L104 HydrophobicContact CG1-CB 4.38Å; V100-L104 PolarHBondContact O-N 2.85Å
101G60.1Low53.5Low47 Ų47114.7 Ų114.749%0.48560%0.597SS.*Hα-helixtrans-64.6-22.9175.800000114.3Q97 A99Q97-G101 PolarHBondContact O-N 2.92Å; A99-G101 VanDerWaalsContact C-N 3.34Å; A99-G101 PolarHBondContact O-N 3.36Å
102Q55Low51.7Low92 Ų92119.8 Ų119.843%0.4361%0.613SS.*Hα-helixtrans-80.9-30.8173.7-66.2-166.3-0.300113.1D98 A99 V100 W135D98-Q102 WeakPolarHBondContact O-CG 3.3Å; D98-Q102 PolarHBondContact O-N 3.17Å; A99-Q102 PolarHBondContact O-N 3.17Å; V100-Q102 PolarHBondContact O-N 2.97Å; Q102-W135 HydrophobicContact CB-CH2 4.26Å; Q102-W135 HydrophobicContact CB-CZ3 4.34Å; Q102-W135 HydrophobicContact CG-CE3 4.47Å; Q102-W135 HydrophobicContact CG-CH2 3.66Å; Q102-W135 HydrophobicContact CG-CZ3 3.5Å
103C49.4Very low50.5Low96 Ų96121.4 Ų121.465%0.64962%0.616SS**Hα-helixtrans-99.8-26.3-174.4-60.40000113.5A99 V100A99-C103 PolarHBondContact O-N 3.23Å; V100-C103 PolarHBondContact O-N 3.35Å
104L46.1Very low49.3Very low113 Ų113120.3 Ų120.359%0.59262%0.618SS**SBendtrans-147.8102.6-171.6-66.1169.6000110.3V100 L106V100-L104 HydrophobicContact CG1-CB 4.38Å; V100-L104 PolarHBondContact O-N 2.85Å; L104-L106 PolarHBondContact O-N 3.01Å
105P45.6Very low47.8Very low126 Ų126125.4 Ų125.482%0.81864%0.642SS**  trans-72.297.5-179.325.8-30.5000111.5R107P105-R107 PolarHBondContact O-N 2.94Å
106L39.9Very low45.8Very low155 Ų155128.1 Ų128.181%0.81266%0.655SS**  trans-74.3111.6164.2-65.4177.9000109.1L104 G108L104-L106 PolarHBondContact O-N 3.01Å; L106-G108 PolarHBondContact O-N 3.33Å
107R38Very low44.4Very low222 Ų222127.8 Ų127.884%0.83866%0.655SS**  trans-66.2100.9-178.5-161.6-179.3-172.5-176.52.5110.4P105 H109P105-R107 PolarHBondContact O-N 2.94Å; R107-H109 PolarHBondContact O-N 3.35Å
108G35.5Very low42.8Very low64 Ų64130.8 Ų130.866%0.6667%0.669SS**  trans-74107.1169.100000110.9L106 H110L106-G108 PolarHBondContact O-N 3.33Å; G108-H110 PolarHBondContact O-N 2.88Å
109H32.3Very low41.3Very low168 Ų168136.1 Ų136.178%0.77869%0.692SS**  trans-64.6111166.6-85.90.9000109.8R107R107-H109 PolarHBondContact O-N 3.35Å
110H36.6Very low39.9Very low183 Ų183141 Ų14185%0.84771%0.705SS**PPolyproline II helixtrans-98.3120.7160.4-92.964.2000108.3G108 H112G108-H110 PolarHBondContact O-N 2.88Å; H110-H112 PolarHBondContact O-N 2.85Å
111H32.9Very low38.4Very low191 Ų191146.3 Ų146.388%0.88473%0.727SS**PPolyproline II helixtrans-61.4125.6170.5-92.5-46.3000110.4
112H32.8Very low37Very low178 Ų178153 Ų15382%0.82475%0.745SS**PPolyproline II helixtrans-78.7118.3161.9-103-0000109.2H110H110-H112 PolarHBondContact O-N 2.85Å
113H34.3Very low35.9Very low188 Ų188157.4 Ų157.487%0.8777%0.766SS**PPolyproline II helixtrans-103.4119.6156.5-107.5-64.3000108.2
114H33.1Very low34.8Very low149 Ų149158.7 Ų158.769%0.6978%0.776SS**PPolyproline II helixtrans-84.5131170.6-105.8-70.9000110
115H35.2Very low34.4Very low194 Ų194157.1 Ų157.190%0.89879%0.787SS**  trans-162.1122.1143.7-110.3-68.7000111.3
116H34.5Very low33.8Very low142 Ų142156.4 Ų156.466%0.65779%0.785SS**  trans-71.9158.7160.9-93.8-85.2000109.4
117H35.5Very low33.5Very low138 Ų138154.1 Ų154.164%0.63978%0.782SS**  cis-165.8151.519.9-127.2-45.3000111.8
118H33Very low33.4Very low147 Ų147154.7 Ų154.768%0.68178%0.784SS**  trans45122.8148-78.5-42.9000125.8
119H32.7Very low33.3Very low175 Ų175157.3 Ų157.381%0.8179%0.789SS**  -175.7175.1101.7-104.9-53.2000114.2
120H32.9Very low33.2Very low154 Ų154159.1 Ų159.171%0.71380%0.796SS**  trans-77.6157.6-147.2-82.7-77.9000122
121H30.4Very low33Very low150 Ų150154.7 Ų154.769%0.69479%0.785SS**  trans49.5118.9145-89-61.9000123.6
122H30.7Very low33.2Very low188 Ų188151.4 Ų151.487%0.8778%0.778SS**  -179.1147.8106.5-102.9-75.6000112.3
123Q32.4Very low33.6Very low184 Ų184148.6 Ų148.686%0.8677%0.769SS**  trans-83141.9-173.8-68.8172.2800113.6
124S27.2Very low33.9Very low124 Ų124148 Ų14887%0.86777%0.771SS**  trans-176129.2135.3-176.50000112.2
125G37.4Very low34.4Very low79 Ų79146.6 Ų146.681%0.81476%0.76SS**  trans40.299.1152.700000120.5
126S32Very low34.8Very low111 Ų111141.8 Ų141.878%0.77675%0.748SS**  trans-145.6126.1155.9-1720000111.6R128S126-R128 PolarHBondContact O-N 2.79Å; S126-R128 VanDerWaalsContact O-N 3.17Å
127S33.2Very low35.7Very low108 Ų108142.9 Ų142.976%0.75575%0.751SS**  trans-48.3111.2173.352.40000111.5P129S127-P129 WeakPolarHBondContact O-CD 3.5Å
128R35.9Very low36.9Very low234 Ų234144.1 Ų144.188%0.88375%0.75SS**  trans-67.6121.9165.6-69.9-177.3170.3-170.4-3108.2S126 F130S126-R128 PolarHBondContact O-N 2.79Å; S126-R128 VanDerWaalsContact O-N 3.17Å; R128-F130 PolarHBondContact O-N 2.68Å
129P35.2Very low38.2Very low118 Ų118146.4 Ų146.477%0.76676%0.758SS**  trans-63.8130.1164.526.8-29.5000107.6S127 S131S127-P129 WeakPolarHBondContact O-CD 3.5Å; P129-S131 PolarHBondContact O-N 3.46Å
130F29Very low39.9Very low207 Ų207141.4 Ų141.491%0.90874%0.736SS**  trans-51.9103173.4-112.5-98000108.7R128 V132R128-F130 PolarHBondContact O-N 2.68Å; F130-V132 PolarHBondContact O-N 3.2Å; F130-V132 VanDerWaalsContact O-N 3.15Å
131S32.3Very low41.6Very low89 Ų89140 Ų14062%0.62273%0.73SS**  trans-74.4102.7177.3-1690000107.6P129 L133P129-S131 PolarHBondContact O-N 3.46Å; S131-L133 PolarHBondContact O-N 2.86Å; S131-L133 WeakPolarHBondContact OG-CD1 3.37Å; S131-L133 WeakPolarHBondContact OG-CG 3.45Å
132V36.9Very low43.3Very low123 Ų123138 Ų13875%0.74573%0.728SS**  trans-74.669.8172.5-165.10000108.4F130 L134F130-V132 PolarHBondContact O-N 3.2Å; F130-V132 VanDerWaalsContact O-N 3.15Å; V132-L134 VanDerWaalsContact C-N 3.32Å
133L41.4Very low45Very low118 Ų118132 Ų13262%0.61871%0.707SS**  trans-94.313.2168.9-76.2173.3000112.4S131 W135S131-L133 PolarHBondContact O-N 2.86Å; S131-L133 WeakPolarHBondContact OG-CD1 3.37Å; S131-L133 WeakPolarHBondContact OG-CG 3.45Å; L133-W135 PolarHBondContact O-N 3.08Å
134L41.6Very low46.6Very low177 Ų177124.8 Ų124.893%0.92767%0.673SS**  trans-90.337.5169.2-104.497.7000112.5V132V132-L134 VanDerWaalsContact C-N 3.32Å
135W42.7Very low48.5Very low119 Ų119121.8 Ų121.845%0.45165%0.647SS.*SBendtrans-100124.9165.5110-72.9000107.4Q102 L133 K137Q102-W135 HydrophobicContact CB-CH2 4.26Å; Q102-W135 HydrophobicContact CB-CZ3 4.34Å; Q102-W135 HydrophobicContact CG-CE3 4.47Å; Q102-W135 HydrophobicContact CG-CH2 3.66Å; Q102-W135 HydrophobicContact CG-CZ3 3.5Å; L133-W135 PolarHBondContact O-N 3.08Å; W135-K137 PolarHBondContact O-N 3.45Å
136S43.6Very low49.8Very low93 Ų93123.9 Ų123.965%0.6564%0.637SS**  trans-61107178.7-169.50000107.9R138S136-R138 PolarHBondContact O-N 3.41Å
137K53.2Low51.5Low164 Ų164123.4 Ų123.471%0.71362%0.623SS**  trans-69.227.2173.9-68.8-179.6174.9177.80112.1W135W135-K137 PolarHBondContact O-N 3.45Å
138R60.8Low52.8Low165 Ų165124.8 Ų124.862%0.62362%0.622SS**PPolyproline II helixtrans-77129.8176.2-178.6176.4169.5174.6-3.9108.1S136 I140 E144S136-R138 PolarHBondContact O-N 3.41Å; R138-I140 PolarHBondContact O-N 2.85Å; R138-E144 IonicContact CZ-OE1 3.36Å; R138-E144 IonicContact NE-OE1 2.7Å; R138-E144 IonicContact NH2-OE1 3.13Å; R138-E144 PolarHBondContact NH2-OE1 2.89Å; R138-E144 IonicContact NH2-OE2 3.99Å
139K61.1Low54.5Low194 Ų194121.9 Ų121.984%0.84362%0.616SS**PPolyproline II helixtrans-68.9120.6170.3-64.3177.6179.9178.30107.8
140I67.8Low56.4Low70 Ų70118.7 Ų118.736%0.35960%0.595SS.*PPolyproline II helixtrans-84120.6171.5-58.8174.8000106.5R138 E144 L145 P151 F152R138-I140 PolarHBondContact O-N 2.85Å; I140-E144 HydrophobicContact CG2-CB 4.09Å; I140-L145 HydrophobicContact CG2-CD2 4.36Å; I140-L145 HydrophobicContact CG2-CG 4.35Å; I140-P151 HydrophobicContact CG2-CB 4.08Å; I140-P151 HydrophobicContact CG2-CG 4.24Å; I140-F152 HydrophobicContact CD1-CD1 3.74Å; I140-F152 HydrophobicContact CD1-CE1 3.61Å
141H67.9Low58.5Low125 Ų125110.7 Ų110.758%0.57956%0.564SS**PPolyproline II helixtrans-79.9148.8175.8-167.3-107.3000109.9S143 E144H141-S143 WeakPolarHBondContact ND1-CB 3.36Å; H141-S143 PolarHBondContact ND1-N 3.21Å; H141-S143 PolarHBondContact ND1-OG 3.41Å; H141-S143 PolarHBondContact O-N 2.93Å; H141-S143 VanDerWaalsContact O-N 3.13Å; H141-E144 HydrophobicContact CB-CG 4.28Å; H141-E144 WeakPolarHBondContact O-CB 3.29Å; H141-E144 PolarHBondContact O-N 2.83Å
142V66.1Low60.5Low108 Ų108107.9 Ų107.966%0.65554%0.541SS*.G310 helixtrans-58.7-30-178.9179.10000111.7E144 L145V142-E144 VanDerWaalsContact C-N 3.32Å; V142-E144 PolarHBondContact O-N 2.58Å; V142-L145 WeakPolarHBondContact O-CB 3.49Å; V142-L145 PolarHBondContact O-N 3.1Å; V142-L145 VanDerWaalsContact O-N 3.15Å
143S67Low62.1Low62 Ų62105.9 Ų105.943%0.43453%0.532SS..G310 helixtrans-64.7-32.2173.663.70000113.4H141 L145 M146H141-S143 WeakPolarHBondContact ND1-CB 3.36Å; H141-S143 PolarHBondContact ND1-N 3.21Å; H141-S143 PolarHBondContact ND1-OG 3.41Å; H141-S143 PolarHBondContact O-N 2.93Å; H141-S143 VanDerWaalsContact O-N 3.13Å; S143-L145 PolarHBondContact O-N 2.69Å; S143-M146 WeakPolarHBondContact O-CB 3.39Å; S143-M146 PolarHBondContact O-N 2.76Å
144E67.3Low63.1Low33 Ų33105.8 Ų105.815%0.15454%0.539CS..G310 helixtrans-68.4-21.2176.4-62.2-179.5-176.600111R138 I140 H141 V142 M146 P151R138-E144 IonicContact CZ-OE1 3.36Å; R138-E144 IonicContact NE-OE1 2.7Å; R138-E144 IonicContact NH2-OE1 3.13Å; R138-E144 PolarHBondContact NH2-OE1 2.89Å; R138-E144 IonicContact NH2-OE2 3.99Å; I140-E144 HydrophobicContact CG2-CB 4.09Å; H141-E144 HydrophobicContact CB-CG 4.28Å; H141-E144 WeakPolarHBondContact O-CB 3.29Å; H141-E144 PolarHBondContact O-N 2.83Å; V142-E144 VanDerWaalsContact C-N 3.32Å; V142-E144 PolarHBondContact O-N 2.58Å; E144-M146 PolarHBondContact O-N 3Å; E144-P151 HydrophobicContact CB-CB 4.27Å
145L66.9Low64.2Low61 Ų61106.6 Ų106.632%0.31954%0.535SS..G310 helixtrans-78.4-6.3172.5-63.1170.6000113.3I140 V142 S143 P151 F152 W162I140-L145 HydrophobicContact CG2-CD2 4.36Å; I140-L145 HydrophobicContact CG2-CG 4.35Å; V142-L145 WeakPolarHBondContact O-CB 3.49Å; V142-L145 PolarHBondContact O-N 3.1Å; V142-L145 VanDerWaalsContact O-N 3.15Å; S143-L145 PolarHBondContact O-N 2.69Å; L145-P151 HydrophobicContact CD2-CG 3.95Å; L145-F152 HydrophobicContact CD2-CE2 3.88Å; L145-F152 HydrophobicContact CD2-CZ 3.53Å; L145-W162 HydrophobicContact CB-CH2 4.37Å; L145-W162 HydrophobicContact CB-CZ3 4.49Å; L145-W162 HydrophobicContact CD2-CH2 4.28Å; L145-W162 HydrophobicContact CD2-CZ3 3.78Å; L145-W162 WeakPolarHBondContact O-CH2 3.24Å
146M62.9Low65.5Low122 Ų122102.5 Ų102.560%0.60152%0.524SS*.G310 helixtrans-103.9-2.1177.1-60.7-64.6-66.800111.9S143 E144S143-M146 WeakPolarHBondContact O-CB 3.39Å; S143-M146 PolarHBondContact O-N 2.76Å; E144-M146 PolarHBondContact O-N 3Å
147E67.9Low66.7Low102 Ų102103.4 Ų103.448%0.47752%0.518SS..SBendtrans-82.4157.6-179.4-69.1178.5-16000112.6K149E147-K149 PolarHBondContact O-N 3.17Å
148D61.9Low67.7Low137 Ų13798.2 Ų98.273%0.73350%0.498SS*.SBendtrans-69.8-21.9179.1-70.6-38.5000113.7K166D148-K166 IonicContact OD1-NZ 2.63Å; D148-K166 PolarHBondContact OD1-NZ 3.13Å
149K72.1Confident68.5Low173 Ų17391.4 Ų91.475%0.75248%0.476SS*.SBendtrans-94.9132.1-179.3-67.1-177.4-179.4179.70110.3E147 P151E147-K149 PolarHBondContact O-N 3.17Å; K149-P151 WeakPolarHBondContact O-CD 3.42Å
150C74.2Confident68.9Low50 Ų5088.4 Ų88.434%0.33847%0.465SS..  trans-62.4118.8177.9174.80000110.7F152 W162C150-F152 PolarHBondContact O-N 3.36Å; C150-F152 PolarHBondContact SG-N 3.42Å; C150-F152 PolarHBondContact SG-O 3.2Å; C150-W162 HydrophobicContact CB-CD2 4.38Å; C150-W162 HydrophobicContact CB-CG 3.92Å
151P72Confident69.1Low40 Ų4087.9 Ų87.926%0.2647%0.467SS..  trans-76.6-8.3179.830.5-34.1000112.9I140 E144 L145 K149 W162I140-P151 HydrophobicContact CG2-CB 4.08Å; I140-P151 HydrophobicContact CG2-CG 4.24Å; E144-P151 HydrophobicContact CB-CB 4.27Å; L145-P151 HydrophobicContact CD2-CG 3.95Å; K149-P151 WeakPolarHBondContact O-CD 3.42Å; P151-W162 HydrophobicContact CG-CH2 4.34Å; P151-W162 HydrophobicContact CG-CZ3 4.45Å
152F75.1Confident69.5Low30 Ų3082.9 Ų82.913%0.13244%0.443CS..SBendtrans-91.1148.6-179.5-50.1-73.4000112.4I140 L145 C150 S156 L158 W162I140-F152 HydrophobicContact CD1-CD1 3.74Å; I140-F152 HydrophobicContact CD1-CE1 3.61Å; L145-F152 HydrophobicContact CD2-CE2 3.88Å; L145-F152 HydrophobicContact CD2-CZ 3.53Å; C150-F152 PolarHBondContact O-N 3.36Å; C150-F152 PolarHBondContact SG-N 3.42Å; C150-F152 PolarHBondContact SG-O 3.2Å; F152-S156 WeakPolarHBondContact CB-OG 3.32Å; F152-L158 HydrophobicContact CB-CB 4.28Å; F152-L158 HydrophobicContact CD1-CB 3.81Å; F152-L158 HydrophobicContact CD1-CD1 3.86Å; F152-L158 HydrophobicContact CD2-CB 3.85Å; F152-L158 HydrophobicContact CE1-CB 4.04Å; F152-L158 HydrophobicContact CE1-CD1 3.57Å; F152-L158 HydrophobicContact CE1-CG 4.42Å; F152-L158 HydrophobicContact CE2-CB 4.09Å; F152-L158 HydrophobicContact CG-CB 3.7Å; F152-L158 HydrophobicContact CZ-CB 4.17Å; F152-L158 HydrophobicContact CZ-CD1 4.1Å; F152-W162 HydrophobicContact CD2-CE3 4.1Å; F152-W162 AromaticContact CE2-CE3 3.65Å; F152-W162 HydrophobicContact CE2-CE3 3.65Å; F152-W162 AromaticContact CE2-CZ3 3.89Å; F152-W162 HydrophobicContact CE2-CZ3 3.89Å
153S70.2Confident69.7Low80 Ų8083.5 Ų83.556%0.55944%0.438SS*.  trans-58.4139.11761750000111.2K155 S156 S159S153-K155 PolarHBondContact O-N 2.76Å; S153-S156 WeakPolarHBondContact O-CB 3.07Å; S153-S156 PolarHBondContact O-N 2.93Å; S153-S156 PolarHBondContact O-OG 2.96Å; S153-S159 VanDerWaalsContact O-CB 3.27Å; S153-S159 WeakPolarHBondContact O-CB 3.46Å; S153-S159 PolarHBondContact O-OG 2.92Å
154P63.5Low70Confident117 Ų11784.8 Ų84.876%0.7644%0.44SS*.THydrogen-bonded Turntrans-56.4-16.2-173.2-26.733.4000116.3S159P154-S159 PolarHBondContact O-OG 2.84Å
155K63.3Low70.1Confident194 Ų19486.7 Ų86.784%0.84345%0.45SS*.THydrogen-bonded Turntrans-103.18.7-178.7-61.2-174.3177.8179.50113.8S153S153-K155 PolarHBondContact O-N 2.76Å
156S71.8Confident70.2Confident33 Ų3387.4 Ų87.423%0.23145%0.451CS..SBendtrans-91.3150.1-177.368.10000112.3F152 S153 L158 S159 Q160F152-S156 WeakPolarHBondContact CB-OG 3.32Å; S153-S156 WeakPolarHBondContact O-CB 3.07Å; S153-S156 PolarHBondContact O-N 2.93Å; S153-S156 PolarHBondContact O-OG 2.96Å; S156-L158 PolarHBondContact O-N 2.77Å; S156-S159 PolarHBondContact N-OG 3.37Å; S156-S159 PolarHBondContact O-N 2.8Å; S156-S159 PolarHBondContact O-OG 2.58Å; S156-S159 WeakPolarHBondContact OG-CB 3.36Å; S156-S159 PolarHBondContact OG-N 2.89Å; S156-S159 PolarHBondContact OG-OG 2.92Å; S156-Q160 PolarHBondContact O-N 2.86Å
157E68.3Low70.4Confident111 Ų11188 Ų8852%0.51945%0.45SS..Hα-helixtrans-57.8-32.7173.1-69.8-176.9170.500111.3Q160 C161E157-Q160 PolarHBondContact O-N 2.91Å; E157-C161 PolarHBondContact O-N 3.44Å
158L74.6Confident70Confident56 Ų5690.2 Ų90.229%0.29346%0.46SS..Hα-helixtrans-71.9-36.2177.9-65.3176.8000113.1F152 S156 Q160 C161 W162F152-L158 HydrophobicContact CB-CB 4.28Å; F152-L158 HydrophobicContact CD1-CB 3.81Å; F152-L158 HydrophobicContact CD1-CD1 3.86Å; F152-L158 HydrophobicContact CD2-CB 3.85Å; F152-L158 HydrophobicContact CE1-CB 4.04Å; F152-L158 HydrophobicContact CE1-CD1 3.57Å; F152-L158 HydrophobicContact CE1-CG 4.42Å; F152-L158 HydrophobicContact CE2-CB 4.09Å; F152-L158 HydrophobicContact CG-CB 3.7Å; F152-L158 HydrophobicContact CZ-CB 4.17Å; F152-L158 HydrophobicContact CZ-CD1 4.1Å; S156-L158 PolarHBondContact O-N 2.77Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.5Å; L158-C161 CarbonylContact O-C 3.54Å; L158-C161 PolarHBondContact O-N 2.81Å; L158-W162 WeakPolarHBondContact O-CA 3.34Å; L158-W162 PolarHBondContact O-N 3.19Å
159S75.9Confident69.8Low22 Ų2285.1 Ų85.115%0.15444%0.439CS..Hα-helixtrans-66.7-34.3172.661.30000111.8S153 P154 S156 W162S153-S159 VanDerWaalsContact O-CB 3.27Å; S153-S159 WeakPolarHBondContact O-CB 3.46Å; S153-S159 PolarHBondContact O-OG 2.92Å; P154-S159 PolarHBondContact O-OG 2.84Å; S156-S159 PolarHBondContact N-OG 3.37Å; S156-S159 PolarHBondContact O-N 2.8Å; S156-S159 PolarHBondContact O-OG 2.58Å; S156-S159 WeakPolarHBondContact OG-CB 3.36Å; S156-S159 PolarHBondContact OG-N 2.89Å; S156-S159 PolarHBondContact OG-OG 2.92Å; S159-W162 WeakPolarHBondContact O-CB 3.32Å; S159-W162 PolarHBondContact O-N 2.85Å
160Q70.9Confident68.8Low130 Ų13079.8 Ų79.861%0.60743%0.428SS*.Hα-helixtrans-67.5-39175.9-69.5175.8-300111.5S156 E157 L158 H163S156-Q160 PolarHBondContact O-N 2.86Å; E157-Q160 PolarHBondContact O-N 2.91Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.5Å; Q160-H163 PolarHBondContact O-CE1 3.37Å; Q160-H163 PolarHBondContact O-ND1 3.33Å
161C71.1Confident67.4Low59 Ų5984.4 Ų84.440%0.39944%0.444SS..Hα-helixtrans-90.22.3178.6-65.40000114.3E157 L158 H163 L164E157-C161 PolarHBondContact O-N 3.44Å; L158-C161 CarbonylContact O-C 3.54Å; L158-C161 PolarHBondContact O-N 2.81Å; C161-H163 PolarHBondContact O-N 3.22Å; C161-L164 HydrophobicContact CB-CD1 4.33Å; C161-L164 WeakPolarHBondContact O-CB 3.25Å; C161-L164 PolarHBondContact O-N 2.83Å
162W76.2Confident66.1Low20 Ų2090.4 Ų90.48%0.07647%0.469CS..Hα-helixtrans-55.4-38.2-175.2174.8-119.9000113.4L145 C150 P151 F152 L158 S159 L164 I165 K166L145-W162 HydrophobicContact CB-CH2 4.37Å; L145-W162 HydrophobicContact CB-CZ3 4.49Å; L145-W162 HydrophobicContact CD2-CH2 4.28Å; L145-W162 HydrophobicContact CD2-CZ3 3.78Å; L145-W162 WeakPolarHBondContact O-CH2 3.24Å; C150-W162 HydrophobicContact CB-CD2 4.38Å; C150-W162 HydrophobicContact CB-CG 3.92Å; P151-W162 HydrophobicContact CG-CH2 4.34Å; P151-W162 HydrophobicContact CG-CZ3 4.45Å; F152-W162 HydrophobicContact CD2-CE3 4.1Å; F152-W162 AromaticContact CE2-CE3 3.65Å; F152-W162 HydrophobicContact CE2-CE3 3.65Å; F152-W162 AromaticContact CE2-CZ3 3.89Å; F152-W162 HydrophobicContact CE2-CZ3 3.89Å; L158-W162 WeakPolarHBondContact O-CA 3.34Å; L158-W162 PolarHBondContact O-N 3.19Å; S159-W162 WeakPolarHBondContact O-CB 3.32Å; S159-W162 PolarHBondContact O-N 2.85Å; W162-L164 VanDerWaalsContact C-N 3.25Å; W162-L164 PolarHBondContact O-N 2.79Å; W162-I165 HydrophobicContact CE3-CB 4.1Å; W162-I165 HydrophobicContact CE3-CD1 4.18Å; W162-I165 HydrophobicContact CE3-CG2 4.21Å; W162-I165 HydrophobicContact CZ3-CB 4.3Å; W162-I165 HydrophobicContact CZ3-CG2 3.89Å; W162-I165 WeakPolarHBondContact O-CB 3.43Å; W162-I165 PolarHBondContact O-N 2.93Å; W162-I165 VanDerWaalsContact O-N 3.13Å; W162-K166 HydrophobicContact CZ2-CG 4.36Å; W162-K166 PolarHBondContact O-N 2.84Å
163H71.4Confident64.6Low122 Ų12294.4 Ų94.457%0.56549%0.492SS*.Hα-helixtrans-59.6-32177.265.7-77.4000113.4Q160 C161 K167Q160-H163 PolarHBondContact O-CE1 3.37Å; Q160-H163 PolarHBondContact O-ND1 3.33Å; C161-H163 PolarHBondContact O-N 3.22Å; H163-K167 WeakPolarHBondContact O-CB 3.34Å; H163-K167 PolarHBondContact O-N 2.69Å; H163-K167 VanDerWaalsContact O-N 3.09Å
164L73.5Confident62.9Low89 Ų8994.9 Ų94.947%0.46650%0.5SS..Hα-helixtrans-71.4-40.4175.9-63.8167.7000111.3C161 W162 K167 H168C161-L164 HydrophobicContact CB-CD1 4.33Å; C161-L164 WeakPolarHBondContact O-CB 3.25Å; C161-L164 PolarHBondContact O-N 2.83Å; W162-L164 VanDerWaalsContact C-N 3.25Å; W162-L164 PolarHBondContact O-N 2.79Å; L164-K167 PolarHBondContact O-N 3.38Å; L164-H168 PolarHBondContact O-CD2 3.45Å; L164-H168 PolarHBondContact O-N 2.86Å
165I69.1Low61.6Low72 Ų7294.4 Ų94.437%0.36950%0.5SS..Hα-helixtrans-63.4-45.5176.8-61.6171.7000109.5W162 K167 H168 G169W162-I165 HydrophobicContact CE3-CB 4.1Å; W162-I165 HydrophobicContact CE3-CD1 4.18Å; W162-I165 HydrophobicContact CE3-CG2 4.21Å; W162-I165 HydrophobicContact CZ3-CB 4.3Å; W162-I165 HydrophobicContact CZ3-CG2 3.89Å; W162-I165 WeakPolarHBondContact O-CB 3.43Å; W162-I165 PolarHBondContact O-N 2.93Å; W162-I165 VanDerWaalsContact O-N 3.13Å; I165-K167 VanDerWaalsContact C-N 3.34Å; I165-K167 PolarHBondContact O-N 3.47Å; I165-H168 PolarHBondContact O-N 2.87Å; I165-G169 PolarHBondContact O-N 3.06Å; I165-G169 VanDerWaalsContact O-N 3.1Å
166K69.4Low60.5Low76 Ų7692.7 Ų92.733%0.3350%0.499SS..Hα-helixtrans-62.3-39177.6-121.6-155.8175.2-161.20113.2D148 W162 H168 G169 A170D148-K166 IonicContact OD1-NZ 2.63Å; D148-K166 PolarHBondContact OD1-NZ 3.13Å; W162-K166 HydrophobicContact CZ2-CG 4.36Å; W162-K166 PolarHBondContact O-N 2.84Å; K166-H168 VanDerWaalsContact C-N 3.34Å; K166-H168 PolarHBondContact O-N 3.15Å; K166-G169 PolarHBondContact O-N 2.84Å; K166-A170 WeakPolarHBondContact O-CB 3.26Å; K166-A170 PolarHBondContact O-N 2.94Å
167K66.6Low58.6Low134 Ų13497.3 Ų97.358%0.58353%0.526SS*.Hα-helixtrans-60.7-42.8178.4-170.8177.7179.4-178.60111.5H163 L164 I165 H171H163-K167 WeakPolarHBondContact O-CB 3.34Å; H163-K167 PolarHBondContact O-N 2.69Å; H163-K167 VanDerWaalsContact O-N 3.09Å; L164-K167 PolarHBondContact O-N 3.38Å; I165-K167 VanDerWaalsContact C-N 3.34Å; I165-K167 PolarHBondContact O-N 3.47Å; K167-H171 PolarHBondContact O-CD2 3Å
168H58.7Low56.9Low150 Ų15099.7 Ų99.769%0.69454%0.541SS*.Hα-helixtrans-77.3-25.4178.9-76.2-76.4000113.9L164 I165 K166L164-H168 PolarHBondContact O-CD2 3.45Å; L164-H168 PolarHBondContact O-N 2.86Å; I165-H168 PolarHBondContact O-N 2.87Å; K166-H168 VanDerWaalsContact C-N 3.34Å; K166-H168 PolarHBondContact O-N 3.15Å
169G57.9Low54.7Low29 Ų29105.2 Ų105.230%0.29957%0.565SS.*Hα-helixtrans-76.8-33.5173.900000114.2I165 K166I165-G169 PolarHBondContact O-N 3.06Å; I165-G169 VanDerWaalsContact O-N 3.1Å; K166-G169 PolarHBondContact O-N 2.84Å
170A50.6Low52.4Low62 Ų62110.1 Ų110.151%0.51259%0.59SS.*Hα-helixtrans-76.6-23.7-176.900000114.2K166 Q172 N173K166-A170 WeakPolarHBondContact O-CB 3.26Å; K166-A170 PolarHBondContact O-N 2.94Å; A170-Q172 PolarHBondContact O-N 3.27Å; A170-N173 PolarHBondContact O-N 3.1Å
171H45.9Very low50.4Low146 Ų146112.5 Ų112.568%0.67660%0.601SS**THydrogen-bonded Turntrans-69.8-11.4179.2-83.4-67.8000114.3K167K167-H171 PolarHBondContact O-CD2 3Å
172Q45.2Very low48.4Very low167 Ų167118.9 Ų118.978%0.7862%0.621SS**THydrogen-bonded Turntrans-86.2-20.5171.5-69.9-165.91200113.6A170A170-Q172 PolarHBondContact O-N 3.27Å
173N43.1Very low46Very low114 Ų114123.3 Ų123.361%0.6166%0.655SS**THydrogen-bonded Turntrans-103.1-0.6-170.1-73.4-2.9000114.8A170A170-N173 PolarHBondContact O-N 3.1Å
174A34.9Very low43.8Very low90 Ų90121.5 Ų121.574%0.74467%0.67SS**THydrogen-bonded Turntrans-86-1.3-179.900000114.5
175S35.7Very low41.6Very low107 Ų107121.2 Ų121.275%0.74869%0.689SS**THydrogen-bonded Turntrans-100.34.3-176.9-160.70000114.9
176L39.9Very low39.7Very low158 Ų158125.9 Ų125.983%0.82771%0.713SS**  trans-130.770.3-177.9-64.9176.1000111.5
177V32.1Very low38.9Very low130 Ų130127.3 Ų127.379%0.78873%0.731SS**  trans-142.4100.5157.9-1770000108.4
178L31.3Very low37Very low161 Ų161126.3 Ų126.384%0.84374%0.74SS**  trans-157.8117.6140.8-130110.5000111.1
179E28.9Very low35.8Very low172 Ų172124.4 Ų124.480%0.80474%0.744SS**  trans72.5134.5151.1-58.4-64.611000122.8
180D27.3Very low34.8Very low125 Ų125128.9 Ų128.967%0.66877%0.768SS**  trans-95151.6-168.7172.436.8000112
181H28.8Very low33.8Very low180 Ų180131.4 Ų131.483%0.83378%0.782SS**  trans-171.8112.1138.3-87-40.7000112.6
182K29.6Very low33.2Very low192 Ų192130.8 Ų130.884%0.83579%0.788SS**  trans23.7132142.2-107.7172.3172.4171.20118.5
183S26.9Very low32.4Very low113 Ų113132.8 Ų132.879%0.7980%0.795SS**  cis-176.2149.739.249.60000112.5
184G25.5Very low32Very low84 Ų84134.3 Ų134.387%0.86680%0.802SS**  trans88.6109.8139.800000122
185G25.8Very low31.6Very low84 Ų84133.6 Ų133.687%0.86679%0.791SS**  trans113.7121.9141.800000118.7
186L28.8Very low31.5Very low169 Ų169139 Ų13989%0.88580%0.795SS**  trans-132.8170.3167.3-95.5163.9000107.3
187P53.4Low31.2Very low107 Ų107139.3 Ų139.370%0.69579%0.792SS**  cis-137.1169.4-5.731-9.7000115.3
188S27.5Very low31.1Very low112 Ų112141.2 Ų141.278%0.78379%0.793SS**  168130.712349.60000115.6
189S33.4Very low31.2Very low111 Ų111138.9 Ų138.978%0.77679%0.785SS**  trans79.6148.9150.2-600000121.3
190P35.3Very low31.4Very low123 Ų123135.6 Ų135.680%0.79978%0.781SS**  trans-101.6136.7-144.236.7-29.2000113.8
191S30.9Very low31.9Very low115 Ų115133.9 Ų133.980%0.80478%0.779SS**  trans-98.3109.7174.2-550000110.7
192T32.3Very low32Very low132 Ų132133.5 Ų133.581%0.8178%0.783SS**  trans25.9130.1134.6-4.40000119.9
193F28.5Very low32Very low209 Ų209127.8 Ų127.892%0.91778%0.778SS**  trans-29.2129.1165.5-105.3-107.9000115.1S195F193-S195 PolarHBondContact O-N 2.94Å
194I35Very low32.6Very low147 Ų147127.6 Ų127.675%0.75478%0.784SS**  trans-64.6122.4171-63.1171.6000109.2
195S26.7Very low32.8Very low74 Ų74129 Ų12952%0.51778%0.78SS.*  trans-76.6135.9171-178.60000110F193 E197F193-S195 PolarHBondContact O-N 2.94Å; S195-E197 PolarHBondContact O-N 3.14Å
196W33.9Very low33.1Very low220 Ų220129.9 Ų129.983%0.83377%0.773SS**THydrogen-bonded Turntrans-73.711.3-176.3-84.5100.8000115.1V199W196-V199 HydrophobicContact CE3-CG1 4.29Å
197E34.3Very low33.2Very low166 Ų166130.2 Ų130.278%0.77678%0.775SS**THydrogen-bonded Turntrans-93.1-6.7-179.4-69.2176.9152.200113.7S195S195-E197 PolarHBondContact O-N 3.14Å
198E29.4Very low32.4Very low169 Ų169131 Ų13179%0.7978%0.778SS**SBendtrans-1003-176.1-147.5172.8-173.800114.6S200E198-S200 VanDerWaalsContact C-N 3.35Å
199V32.5Very low32.5Very low112 Ų112133.4 Ų133.468%0.67978%0.782SS**SBendtrans-87.1-3.617575.90000113.3W196W196-V199 HydrophobicContact CE3-CG1 4.29Å
200S34.2Very low32.5Very low104 Ų104138.5 Ų138.573%0.72778%0.784SS**SBendtrans-99.5-1-175.9-60.50000114.7E198E198-S200 VanDerWaalsContact C-N 3.35Å
201S37.2Very low32.2Very low88 Ų88139.2 Ų139.262%0.61578%0.781SS**SBendtrans-146.382.7-175-61.20000111.5
202N30.3Very low32.6Very low173 Ų173139.2 Ų139.293%0.92578%0.776SS**SBendtrans176.3129.5139.4-91-10.7000111
203G29.8Very low32.7Very low71 Ų71136.3 Ų136.373%0.73276%0.762SS**  trans102.568.9155.700000116.3S205G203-S205 PolarHBondContact O-N 3.29Å
204A40.3Very low32.9Very low110 Ų110136.4 Ų136.491%0.90976%0.762SS**  trans-62.5117.314600000108.5
205S29.4Very low33.3Very low113 Ų113136.2 Ų136.279%0.7976%0.761SS**  trans-150.7112.3154.7690000111.4G203G203-S205 PolarHBondContact O-N 3.29Å
206S31.7Very low34.1Very low103 Ų103142 Ų14272%0.7278%0.779SS**  trans66.890.1152.2-151.70000119.2
207L31.5Very low34Very low176 Ų176135.1 Ų135.192%0.92178%0.777SS**  trans-136.366.3142.5-164.180.1000108.2D209L207-D209 PolarHBondContact O-N 3.06Å
208T37.4Very low33.9Very low123 Ų123131.4 Ų131.476%0.75578%0.775SS**  trans-78.494170.247.90000108.7
209D28.6Very low34.6Very low162 Ų162129.4 Ų129.487%0.86678%0.776SS**  trans-163.442151.9-120.46.2000112.6L207L207-D209 PolarHBondContact O-N 3.06Å
210W33.7Very low34.8Very low218 Ų218132.4 Ų132.483%0.82678%0.783SS**  trans-11389.1159.4-176.5-81.1000108T212W210-T212 PolarHBondContact O-N 3.49Å; W210-T212 PolarHBondContact O-OG1 3.49Å
211D28.5Very low35.2Very low138 Ų138133.7 Ų133.774%0.73879%0.791SS**  trans-63.5119.1177.3-144.2-21.7000109.4S213D211-S213 PolarHBondContact OD1-OG 2.94Å; D211-S213 VanDerWaalsContact OD1-OG 3.05Å
212T38.8Very low34.9Very low115 Ų115133.6 Ų133.671%0.70679%0.789SS**  trans-105.837.5-167.4-40.80000111.7W210W210-T212 PolarHBondContact O-N 3.49Å; W210-T212 PolarHBondContact O-OG1 3.49Å
213S36Very low35.7Very low71 Ų71131 Ų13150%0.49779%0.791SS.*  trans-125.151.5-163.256.30000114.8D211D211-S213 PolarHBondContact OD1-OG 2.94Å; D211-S213 VanDerWaalsContact OD1-OG 3.05Å
214F32Very low36.6Very low211 Ų211134.4 Ų134.493%0.92579%0.788SS**  trans-145.456.6153-81.2-74.5000111.8
215I43.8Very low37.7Very low144 Ų144130 Ų13074%0.73875%0.752SS**  trans-84.4118.9145.3-64.2-76.9000104.5
216H43.8Very low40.3Very low194 Ų194129.1 Ų129.190%0.89874%0.738SS**  trans173.485.3146.4-9287.5000108
217G30.6Very low43.1Very low76 Ų76128.9 Ų128.978%0.78472%0.722SS**  trans-137.5123.5166.400000108.2
218A33.1Very low46Very low88 Ų88123 Ų12373%0.72769%0.691SS**  trans-44.9159.1-170.600000117Q220A218-Q220 PolarHBondContact O-N 3.4Å
219P44Very low48.7Very low127 Ų127117.7 Ų117.783%0.82566%0.658SS**  trans-69.9105.2-178.429.6-32.9000109.9C221P219-C221 PolarHBondContact O-N 3.11Å
220Q36Very low51.9Low176 Ų176110.1 Ų110.182%0.82262%0.617SS**  trans-83.6102.6163.8-84176.8-0.900108.2A218 C222A218-Q220 PolarHBondContact O-N 3.4Å; Q220-C222 VanDerWaalsContact C-N 3.35Å; Q220-C222 PolarHBondContact O-N 3.06Å
221C42.9Very low54.6Low131 Ų131103.7 Ų103.789%0.88560%0.604SS**  trans-56.4100.6161.2-62.20000108.5P219P219-C221 PolarHBondContact O-N 3.11Å
222C31.1Very low57.8Low86 Ų8697.4 Ų97.458%0.58157%0.57SS**  trans-133.3132.4164.2-67.10000104.8Q220 H224Q220-C222 VanDerWaalsContact C-N 3.35Å; Q220-C222 PolarHBondContact O-N 3.06Å; C222-H224 HydrophobicContact CB-CB 4.42Å; C222-H224 PolarHBondContact O-N 3.24Å
223A46.1Very low60.5Low117 Ų11792.1 Ų92.197%0.96754%0.538SS*.  trans-67.362.7169.700000109.7
224H50.4Low63.4Low144 Ų14490.9 Ų90.967%0.66753%0.525SS*.  trans-90.2116.3-176.8-134.773.1000107.4C222 D226C222-H224 HydrophobicContact CB-CB 4.42Å; C222-H224 PolarHBondContact O-N 3.24Å; H224-D226 PolarHBondContact O-N 3.41Å; H224-D226 VanDerWaalsContact O-N 3.07Å
225A61.6Low66.6Low18 Ų1886.2 Ų86.215%0.14951%0.506CS..  trans-56.9109.3167.900000109Y227 K380A225-Y227 PolarHBondContact O-N 3.19Å; A225-K380 HydrophobicContact CB-CD 3.54Å; A225-K380 HydrophobicContact CB-CG 3.79Å
226D85.6Confident69.1Low93 Ų9379.4 Ų79.450%0.49747%0.471SS..EExtended strand (participates in β ladder)trans-80.7114.2175.3-80.7-20.2000108.7H224 C381H224-D226 PolarHBondContact O-N 3.41Å; H224-D226 VanDerWaalsContact O-N 3.07Å; D226-C381 HydrophobicContact CB-CB 4.42Å; D226-C381 PolarHBondContact N-O 2.63Å; D226-C381 WeakPolarHBondContact O-CB 3.24Å; D226-C381 PolarHBondContact O-N 3.17Å
227Y90.1Very high71.6Confident99 Ų9970.6 Ų70.639%0.38843%0.431SS..EExtended strand (participates in β ladder)trans-80.1128.3172.7-64.1-68.3000110.2A225 Y358 H378 F379 K380A225-Y227 PolarHBondContact O-N 3.19Å; Y227-Y358 HydrophobicContact CD2-CE1 4.18Å; Y227-Y358 HydrophobicContact CG-CE1 4.23Å; Y227-Y358 WeakPolarHBondContact O-CB 3.27Å; Y227-H378 AromaticContact CD1-CD2 3.3Å; Y227-H378 WeakPolarHBondContact CD1-CD2 3.46Å; Y227-H378 AromaticContact CD1-NE2 3.6Å; Y227-H378 AromaticContact CE1-CD2 3.94Å; Y227-H378 AromaticContact CE1-NE2 3.76Å; Y227-H378 AromaticContact CG-CD2 3.97Å; Y227-F379 WeakPolarHBondContact CA-O 3.16Å; Y227-K380 HydrophobicContact CD1-CB 4.22Å; Y227-K380 HydrophobicContact CE1-CB 4.16Å
228I92.3Very high74.8Confident51 Ų5172.5 Ų72.526%0.26242%0.423SS..EExtended strand (participates in β ladder)trans-123.9135-177.6-52.7-177.4000108.4K295 H378 F379 C381I228-K295 HydrophobicContact CD1-CG 4.44Å; I228-H378 CarbonylContact O-C 3.43Å; I228-H378 WeakPolarHBondContact O-CA 3.33Å; I228-H378 WeakPolarHBondContact O-CB 3.48Å; I228-F379 HydrophobicContact CB-CD2 4.43Å; I228-F379 HydrophobicContact CB-CE1 4.15Å; I228-F379 HydrophobicContact CB-CE2 3.9Å; I228-F379 HydrophobicContact CB-CZ 3.74Å; I228-F379 HydrophobicContact CD1-CE2 4.23Å; I228-F379 HydrophobicContact CD1-CZ 4.48Å; I228-F379 HydrophobicContact CG1-CE2 4.44Å; I228-F379 HydrophobicContact CG2-CE1 4.16Å; I228-F379 HydrophobicContact CG2-CE2 4.4Å; I228-F379 HydrophobicContact CG2-CZ 3.79Å; I228-F379 PolarHBondContact N-O 3.37Å; I228-F379 WeakPolarHBondContact O-CD1 3.5Å; I228-F379 PolarHBondContact O-N 3.1Å; I228-C381 HydrophobicContact CD1-CB 3.51Å; I228-C381 HydrophobicContact CG1-CB 4.06Å
229L94.6Very high77.7Confident12 Ų1270.7 Ų70.76%0.06340%0.401CS..EExtended strand (participates in β ladder)trans-68.7147.8171.8-65.1173.9000110P231 C353 T356 Y358 I361 H378L229-P231 WeakPolarHBondContact O-CD 3.33Å; L229-P231 VanDerWaalsContact O-N 3.1Å; L229-C353 HydrophobicContact CD1-CB 4.28Å; L229-T356 HydrophobicContact CD1-CG2 4.38Å; L229-Y358 HydrophobicContact CD2-CD2 3.89Å; L229-Y358 HydrophobicContact CG-CD2 4.34Å; L229-I361 HydrophobicContact CD1-CD1 3.83Å; L229-I361 HydrophobicContact CD2-CD1 3.96Å; L229-I361 HydrophobicContact CG-CD1 4.41Å; L229-H378 HydrophobicContact CD2-CB 4.38Å
230V95.1Very high80.2Confident3 Ų368.3 Ų68.32%0.01839%0.386CS..  trans-58.4116.5172.4176.70000109.2D232 L233 I236 L274 F275 Y377 F379V230-D232 VanDerWaalsContact C-N 3.31Å; V230-D232 WeakPolarHBondContact CG1-OD1 3.46Å; V230-D232 PolarHBondContact O-N 2.87Å; V230-L233 HydrophobicContact CB-CB 4.26Å; V230-L233 HydrophobicContact CG1-CB 4.33Å; V230-L233 WeakPolarHBondContact O-CB 3.38Å; V230-L233 PolarHBondContact O-N 3Å; V230-I236 HydrophobicContact CG1-CD1 3.88Å; V230-L274 HydrophobicContact CG2-CD1 3.34Å; V230-F275 HydrophobicContact CG1-CE2 4.04Å; V230-F275 HydrophobicContact CG2-CE2 3.97Å; V230-F275 HydrophobicContact CG2-CZ 4.47Å; V230-Y377 PolarHBondContact N-O 3.42Å; V230-F379 HydrophobicContact CG2-CD1 4.31Å
231P91.3Very high83.1Confident84 Ų8459.9 Ų59.955%0.54535%0.346SS..THydrogen-bonded Turntrans-67.6-31-168.225.7-34.9000112.9L229 F297L229-P231 WeakPolarHBondContact O-CD 3.33Å; L229-P231 VanDerWaalsContact O-N 3.1Å; P231-F297 HydrophobicContact CG-CE2 4.35Å
232D95.1Very high85.8Confident5 Ų553.7 Ų53.73%0.02730%0.304CS..THydrogen-bonded Turntrans-104.521.5-176.865.6-37.4000113V230 L234 Q235 I236 V312 T313V230-D232 VanDerWaalsContact C-N 3.31Å; V230-D232 WeakPolarHBondContact CG1-OD1 3.46Å; V230-D232 PolarHBondContact O-N 2.87Å; D232-L234 PolarHBondContact O-N 3.09Å; D232-L234 VanDerWaalsContact O-N 3.15Å; D232-Q235 HydrophobicContact CB-CB 4.32Å; D232-Q235 HydrophobicContact CB-CG 4.44Å; D232-Q235 WeakPolarHBondContact O-CA 3.4Å; D232-Q235 WeakPolarHBondContact O-CB 3.47Å; D232-Q235 PolarHBondContact O-N 3.1Å; D232-I236 WeakPolarHBondContact O-CG1 3.35Å; D232-I236 PolarHBondContact O-N 3.09Å; D232-V312 PolarHBondContact OD1-N 3.18Å; D232-V312 WeakPolarHBondContact OD2-CA 3.41Å; D232-V312 WeakPolarHBondContact OD2-CB 3.48Å; D232-V312 PolarHBondContact OD2-N 2.93Å; D232-T313 PolarHBondContact OD2-N 3.18Å; D232-T313 PolarHBondContact OD2-OG1 2.79Å
233L96.1Very high88.9Confident5 Ų550.2 Ų50.23%0.02628%0.279CS..Hα-helixtrans-54.9-37.6-177-174.664.2000113.4V230 N237 F275 C353 Y377V230-L233 HydrophobicContact CB-CB 4.26Å; V230-L233 HydrophobicContact CG1-CB 4.33Å; V230-L233 WeakPolarHBondContact O-CB 3.38Å; V230-L233 PolarHBondContact O-N 3Å; L233-N237 WeakPolarHBondContact O-CB 3.27Å; L233-N237 PolarHBondContact O-N 3.45Å; L233-N237 PolarHBondContact O-ND2 3.39Å; L233-F275 HydrophobicContact CD1-CZ 4.29Å; L233-C353 HydrophobicContact CD2-CB 4.03Å; L233-Y377 HydrophobicContact CD1-CD1 4.24Å; L233-Y377 HydrophobicContact CD1-CD2 3.79Å; L233-Y377 HydrophobicContact CD1-CE2 4.23Å; L233-Y377 HydrophobicContact CD1-CG 3.79Å; L233-Y377 HydrophobicContact CD2-CD2 3.8Å; L233-Y377 HydrophobicContact CD2-CG 4.15Å; L233-Y377 HydrophobicContact CG-CD2 4.45Å
234L96.9Very high91.4Very high45 Ų4544.7 Ų44.724%0.23623%0.234CC..Hα-helixtrans-65.8-42.3175.2-179.861.2000111.8D232 N237 N238 A350 L351D232-L234 PolarHBondContact O-N 3.09Å; D232-L234 VanDerWaalsContact O-N 3.15Å; L234-N237 PolarHBondContact O-N 2.97Å; L234-N238 VanDerWaalsContact O-CG 3.25Å; L234-N238 PolarHBondContact O-N 3.35Å; L234-N238 PolarHBondContact O-ND2 3.5Å; L234-A350 HydrophobicContact CD1-CB 4.24Å; L234-L351 HydrophobicContact CD1-CD2 3.62Å; L234-L351 HydrophobicContact CD1-CG 4.07Å; L234-L351 HydrophobicContact CD2-CD2 3.93Å; L234-L351 HydrophobicContact CG-CD2 4.45Å
235Q97.3Very high93.5Very high113 Ų11343.1 Ų43.153%0.52823%0.234SC..Hα-helixtrans-66.7-41.5178.3-57.1-178.326.700111.2D232 N237 N238 N239 T313D232-Q235 HydrophobicContact CB-CB 4.32Å; D232-Q235 HydrophobicContact CB-CG 4.44Å; D232-Q235 WeakPolarHBondContact O-CA 3.4Å; D232-Q235 WeakPolarHBondContact O-CB 3.47Å; D232-Q235 PolarHBondContact O-N 3.1Å; Q235-N237 VanDerWaalsContact C-N 3.28Å; Q235-N237 PolarHBondContact O-N 3.42Å; Q235-N238 PolarHBondContact O-N 3.43Å; Q235-N239 PolarHBondContact O-N 3.14Å; Q235-T313 HydrophobicContact CB-CG2 3.86Å; Q235-T313 PolarHBondContact OE1-OG1 2.84Å
236I97.4Very high95.2Very high1 Ų143.3 Ų43.31%0.00523%0.232CC..Hα-helixtrans-56.3-46.1173.2-66.8170.2000110.3V230 D232 N238 N239 Y242 L265 F275 V312 T313V230-I236 HydrophobicContact CG1-CD1 3.88Å; D232-I236 WeakPolarHBondContact O-CG1 3.35Å; D232-I236 PolarHBondContact O-N 3.09Å; I236-N238 VanDerWaalsContact C-N 3.35Å; I236-N238 PolarHBondContact O-N 3.23Å; I236-N239 WeakPolarHBondContact O-CB 3.32Å; I236-N239 PolarHBondContact O-N 3.14Å; I236-N239 VanDerWaalsContact O-N 3.16Å; I236-Y242 HydrophobicContact CG2-CD1 3.82Å; I236-Y242 HydrophobicContact CG2-CD2 3.76Å; I236-Y242 HydrophobicContact CG2-CE1 4.13Å; I236-Y242 HydrophobicContact CG2-CE2 4.08Å; I236-Y242 HydrophobicContact CG2-CG 3.62Å; I236-Y242 VanDerWaalsContact O-CB 3.24Å; I236-Y242 WeakPolarHBondContact O-CB 3.37Å; I236-L265 HydrophobicContact CG2-CD2 3.68Å; I236-F275 HydrophobicContact CD1-CE2 3.87Å; I236-F275 HydrophobicContact CD1-CZ 3.91Å; I236-V312 HydrophobicContact CD1-CB 3.76Å; I236-V312 HydrophobicContact CD1-CG1 4.13Å; I236-V312 HydrophobicContact CD1-CG2 4.04Å; I236-V312 HydrophobicContact CG1-CB 4.25Å; I236-V312 HydrophobicContact CG1-CG1 4.43Å; I236-T313 HydrophobicContact CG1-CG2 4.03Å
237N97Very high95.6Very high9 Ų941.8 Ų41.85%0.04822%0.224CC..Hα-helixtrans-66.5-34.2-179.5-94.1-81.2000114.4L233 L234 Q235 N239 H346 A350L233-N237 WeakPolarHBondContact O-CB 3.27Å; L233-N237 PolarHBondContact O-N 3.45Å; L233-N237 PolarHBondContact O-ND2 3.39Å; L234-N237 PolarHBondContact O-N 2.97Å; Q235-N237 VanDerWaalsContact C-N 3.28Å; Q235-N237 PolarHBondContact O-N 3.42Å; N237-N239 VanDerWaalsContact C-N 3.28Å; N237-H346 PolarHBondContact OD1-CD2 3.34Å; N237-H346 PolarHBondContact OD1-NE2 2.9Å; N237-A350 HydrophobicContact CB-CB 4.03Å
238N96.1Very high96Very high116 Ų11643.2 Ų43.262%0.6223%0.229SC*.Hα-helixtrans-77.4-16.9175.7-67.6-19.9000112.2L234 Q235 I236 P240L234-N238 VanDerWaalsContact O-CG 3.25Å; L234-N238 PolarHBondContact O-N 3.35Å; L234-N238 PolarHBondContact O-ND2 3.5Å; Q235-N238 PolarHBondContact O-N 3.43Å; I236-N238 VanDerWaalsContact C-N 3.35Å; I236-N238 PolarHBondContact O-N 3.23Å; N238-P240 WeakPolarHBondContact O-CD 3.42Å
239N95.8Very high96.2Very high50 Ų5047.2 Ų47.227%0.26725%0.245SC..SBendtrans-75.4121.2178.2-168-31.2000110.5Q235 I236 N237 C241 Y242Q235-N239 PolarHBondContact O-N 3.14Å; I236-N239 WeakPolarHBondContact O-CB 3.32Å; I236-N239 PolarHBondContact O-N 3.14Å; I236-N239 VanDerWaalsContact O-N 3.16Å; N237-N239 VanDerWaalsContact C-N 3.28Å; N239-C241 PolarHBondContact O-N 2.67Å; N239-C241 VanDerWaalsContact O-N 3.09Å; N239-C241 PolarHBondContact OD1-N 3.21Å; N239-C241 PolarHBondContact OD1-SG 3.31Å; N239-Y242 PolarHBondContact O-N 3.28Å; N239-Y242 VanDerWaalsContact O-N 3.09Å
240P95.7Very high96.3Very high76 Ų7650.7 Ų50.749%0.49426%0.261SS..THydrogen-bonded Turntrans-63.3-18.6-179.626.8-36000113.3N238 Y242 P337 R338N238-P240 WeakPolarHBondContact O-CD 3.42Å; P240-Y242 VanDerWaalsContact C-N 3.26Å; P240-Y242 PolarHBondContact O-N 3.46Å; P240-P337 HydrophobicContact CB-CB 4.24Å; P240-P337 CarbonylContact O-C 3.52Å; P240-P337 WeakPolarHBondContact O-CA 3.43Å; P240-R338 WeakPolarHBondContact O-CB 3.48Å; P240-R338 PolarHBondContact O-N 3.29Å
241C97Very high96.5Very high0 Ų050.6 Ų50.60%026%0.26CS..THydrogen-bonded Turntrans-78.8-6.3177.684.10000114N239 W243 F263 L265 P335N239-C241 PolarHBondContact O-N 2.67Å; N239-C241 VanDerWaalsContact O-N 3.09Å; N239-C241 PolarHBondContact OD1-N 3.21Å; N239-C241 PolarHBondContact OD1-SG 3.31Å; C241-W243 VanDerWaalsContact O-CD1 3.29Å; C241-F263 HydrophobicContact CB-CE2 4.32Å; C241-L265 PolarHBondContact O-N 2.92Å; C241-P335 HydrophobicContact CB-CB 3.53Å
242Y98.4Very high96.8Very high0 Ų049 Ų490%025%0.245CC..BIsolated β-bridgetrans-86.6118175.9178.3-122.5000111.1I236 N239 P240 G244 L265 D267 F275 R338 F342 Y377I236-Y242 HydrophobicContact CG2-CD1 3.82Å; I236-Y242 HydrophobicContact CG2-CD2 3.76Å; I236-Y242 HydrophobicContact CG2-CE1 4.13Å; I236-Y242 HydrophobicContact CG2-CE2 4.08Å; I236-Y242 HydrophobicContact CG2-CG 3.62Å; I236-Y242 VanDerWaalsContact O-CB 3.24Å; I236-Y242 WeakPolarHBondContact O-CB 3.37Å; N239-Y242 PolarHBondContact O-N 3.28Å; N239-Y242 VanDerWaalsContact O-N 3.09Å; P240-Y242 VanDerWaalsContact C-N 3.26Å; P240-Y242 PolarHBondContact O-N 3.46Å; Y242-G244 VanDerWaalsContact CZ-CA 3.48Å; Y242-L265 WeakPolarHBondContact CA-O 3.36Å; Y242-L265 HydrophobicContact CD2-CB 4.24Å; Y242-L265 HydrophobicContact CD2-CD2 3.8Å; Y242-L265 HydrophobicContact CD2-CG 3.9Å; Y242-L265 HydrophobicContact CG-CD2 4.43Å; Y242-D267 WeakPolarHBondContact CE2-OD1 3.49Å; Y242-D267 PolarHBondContact OH-OD1 3.49Å; Y242-F275 HydrophobicContact CE2-CD1 4.15Å; Y242-F275 AromaticContact CE2-CE1 3.97Å; Y242-F275 HydrophobicContact CE2-CE1 3.97Å; Y242-R338 WeakPolarHBondContact O-CD 3.16Å; Y242-F342 AromaticContact CD1-CE2 3.69Å; Y242-F342 HydrophobicContact CD1-CE2 3.69Å; Y242-F342 AromaticContact CD1-CZ 3.54Å; Y242-F342 HydrophobicContact CD1-CZ 3.54Å; Y242-F342 AromaticContact CE1-CE2 4Å; Y242-F342 HydrophobicContact CE1-CE2 4Å; Y242-F342 AromaticContact CE1-CZ 3.68Å; Y242-F342 HydrophobicContact CE1-CZ 3.68Å; Y242-F342 HydrophobicContact CG-CZ 4.46Å; Y242-Y377 PolarHBondContact OH-OH 3.37Å
243W98.2Very high96.9Very high13 Ų1355.1 Ų55.15%0.04927%0.274CS..  trans-97.1-4-177.3-75.668.3000113.8C241 L246 L254 L264 L265 L336 P337 R338 F340C241-W243 VanDerWaalsContact O-CD1 3.29Å; W243-L246 HydrophobicContact CB-CB 4.28Å; W243-L246 HydrophobicContact CB-CD2 3.98Å; W243-L246 HydrophobicContact CD2-CD2 4.49Å; W243-L246 HydrophobicContact CG-CD2 4.28Å; W243-L254 HydrophobicContact CD2-CD1 4.15Å; W243-L254 HydrophobicContact CE3-CD1 3.76Å; W243-L254 HydrophobicContact CH2-CD1 3.77Å; W243-L254 HydrophobicContact CH2-CD2 4.04Å; W243-L254 HydrophobicContact CZ2-CD1 4.14Å; W243-L254 HydrophobicContact CZ3-CD1 3.57Å; W243-L254 HydrophobicContact CZ3-CD2 4.3Å; W243-L264 HydrophobicContact CG-CB 4.45Å; W243-L265 PolarHBondContact N-O 2.97Å; W243-L336 HydrophobicContact CZ2-CD2 4.03Å; W243-L336 HydrophobicContact CZ2-CG 4.1Å; W243-L336 PolarHBondContact NE1-O 3.17Å; W243-P337 VanDerWaalsContact CZ2-O 3.32Å; W243-P337 WeakPolarHBondContact CZ2-O 3.36Å; W243-R338 HydrophobicContact CD2-CB 4.3Å; W243-R338 HydrophobicContact CD2-CG 4.22Å; W243-R338 HydrophobicContact CE3-CG 4.3Å; W243-F340 AromaticContact CE3-CE1 3.74Å; W243-F340 HydrophobicContact CE3-CE1 3.74Å; W243-F340 AromaticContact CZ3-CE1 3.99Å; W243-F340 HydrophobicContact CZ3-CE1 3.99Å
244G96.8Very high97Very high2 Ų257.5 Ų57.52%0.02129%0.286CS..SBendtrans67.9-138.6-175.800000112.4Y242 L246 R266 D267Y242-G244 VanDerWaalsContact CZ-CA 3.48Å; G244-L246 PolarHBondContact O-N 3.36Å; G244-R266 WeakPolarHBondContact O-CA 3.39Å; G244-D267 PolarHBondContact O-N 2.87Å
245V95.9Very high97.1Very high111 Ų11155.3 Ų55.367%0.67328%0.275SS*.SBendtrans-69101.1177.2-175.60000109.5
246L96.1Very high97.1Very high22 Ų2256.9 Ų56.912%0.11528%0.282CS..  trans-138.9130.8177.4-17378.3000107.9W243 G244 E250 A251 L254 L264 R266W243-L246 HydrophobicContact CB-CB 4.28Å; W243-L246 HydrophobicContact CB-CD2 3.98Å; W243-L246 HydrophobicContact CD2-CD2 4.49Å; W243-L246 HydrophobicContact CG-CD2 4.28Å; G244-L246 PolarHBondContact O-N 3.36Å; L246-E250 HydrophobicContact CD1-CB 3.64Å; L246-E250 HydrophobicContact CG-CB 4.04Å; L246-A251 HydrophobicContact CD2-CB 3.87Å; L246-L254 HydrophobicContact CD1-CD1 4.32Å; L246-L254 HydrophobicContact CD2-CD1 3.97Å; L246-L264 HydrophobicContact CD2-CD1 3.67Å; L246-L264 HydrophobicContact CD2-CD2 4.15Å; L246-R266 HydrophobicContact CB-CB 3.88Å; L246-R266 HydrophobicContact CD2-CB 4.46Å; L246-R266 WeakPolarHBondContact O-CD 3.48Å; L246-R266 PolarHBondContact O-NH1 2.93Å
247N95.5Very high97Very high60 Ų6060.2 Ų60.232%0.32132%0.317SS..  trans-81.9169.7179.375.853.8000111.6F249 E250 A251N247-F249 PolarHBondContact O-N 3.43Å; N247-F249 PolarHBondContact OD1-N 3.4Å; N247-E250 PolarHBondContact N-OE2 3.38Å; N247-E250 WeakPolarHBondContact ND2-CG 3.4Å; N247-E250 PolarHBondContact ND2-OE1 3.29Å; N247-E250 PolarHBondContact ND2-OE2 3.02Å; N247-E250 VanDerWaalsContact ND2-OE2 3.08Å; N247-E250 WeakPolarHBondContact OD1-CG 2.98Å; N247-E250 PolarHBondContact OD1-N 3.26Å; N247-A251 PolarHBondContact O-N 3.26Å; N247-A251 VanDerWaalsContact O-N 3.11Å
248R96.6Very high97Very high129 Ų12963.3 Ų63.349%0.48733%0.331SS..Hα-helixtrans-59.4-46.8-178.6-177.8-172.7163.7175.7-4112.4A251 E252 H287R248-A251 WeakPolarHBondContact O-CB 3.48Å; R248-A251 PolarHBondContact O-N 3.29Å; R248-E252 IonicContact CZ-OE1 3.37Å; R248-E252 IonicContact NE-OE1 2.84Å; R248-E252 PolarHBondContact NE-OE1 3.45Å; R248-E252 IonicContact NH2-OE1 3.85Å; R248-E252 PolarHBondContact NH2-OE1 2.9Å; R248-E252 WeakPolarHBondContact O-CG 3.3Å; R248-E252 PolarHBondContact O-N 3.43Å; R248-H287 WeakPolarHBondContact CG-NE2 3.43Å; R248-H287 PolarHBondContact NE-CD2 2.64Å; R248-H287 PolarHBondContact NE-NE2 2.86Å
249F97.3Very high97Very high136 Ų13660.8 Ų60.860%0.59632%0.32SS*.Hα-helixtrans-70.5-33.7-174.9-57.6-72.9000112.5N247 E252 Q253N247-F249 PolarHBondContact O-N 3.43Å; N247-F249 PolarHBondContact OD1-N 3.4Å; F249-E252 PolarHBondContact O-N 3.19Å; F249-Q253 WeakPolarHBondContact O-CG 3.46Å; F249-Q253 PolarHBondContact O-N 3.33Å; F249-Q253 VanDerWaalsContact O-N 3.13Å; F249-Q253 PolarHBondContact O-NE2 2.69Å; F249-Q253 VanDerWaalsContact O-NE2 3.15Å
250E97.4Very high97Very high85 Ų8562.8 Ų62.840%0.39733%0.328SS..Hα-helixtrans-66.3-41.4172-71.1169.515900111L246 N247 E252 Q253 L254L246-E250 HydrophobicContact CD1-CB 3.64Å; L246-E250 HydrophobicContact CG-CB 4.04Å; N247-E250 PolarHBondContact N-OE2 3.38Å; N247-E250 WeakPolarHBondContact ND2-CG 3.4Å; N247-E250 PolarHBondContact ND2-OE1 3.29Å; N247-E250 PolarHBondContact ND2-OE2 3.02Å; N247-E250 VanDerWaalsContact ND2-OE2 3.08Å; N247-E250 WeakPolarHBondContact OD1-CG 2.98Å; N247-E250 PolarHBondContact OD1-N 3.26Å; E250-E252 VanDerWaalsContact C-N 3.35Å; E250-Q253 PolarHBondContact O-N 3.09Å; E250-L254 WeakPolarHBondContact O-CG 3.33Å; E250-L254 PolarHBondContact O-N 2.97Å; E250-L254 VanDerWaalsContact O-N 3.08Å
251A98.1Very high97Very high0 Ų059.1 Ų59.10%031%0.305CS..Hα-helixtrans-63.3-40.6174.400000112L246 N247 R248 Q253 L254 L255 L264L246-A251 HydrophobicContact CD2-CB 3.87Å; N247-A251 PolarHBondContact O-N 3.26Å; N247-A251 VanDerWaalsContact O-N 3.11Å; R248-A251 WeakPolarHBondContact O-CB 3.48Å; R248-A251 PolarHBondContact O-N 3.29Å; A251-Q253 VanDerWaalsContact C-N 3.34Å; A251-Q253 PolarHBondContact O-N 2.91Å; A251-L254 PolarHBondContact O-N 3.01Å; A251-L255 WeakPolarHBondContact O-CB 3.46Å; A251-L255 VanDerWaalsContact O-CG 3.3Å; A251-L255 WeakPolarHBondContact O-CG 3.37Å; A251-L255 PolarHBondContact O-N 3.02Å; A251-L264 HydrophobicContact CB-CD1 4.08Å; A251-L264 HydrophobicContact CB-CD2 4.34Å
252E98.1Very high97.1Very high51 Ų5159.4 Ų59.424%0.23831%0.306CS..Hα-helixtrans-59.9-42.8175.5-73.6172.5175.300111.7R248 F249 E250 L255 E256 H287R248-E252 IonicContact CZ-OE1 3.37Å; R248-E252 IonicContact NE-OE1 2.84Å; R248-E252 PolarHBondContact NE-OE1 3.45Å; R248-E252 IonicContact NH2-OE1 3.85Å; R248-E252 PolarHBondContact NH2-OE1 2.9Å; R248-E252 WeakPolarHBondContact O-CG 3.3Å; R248-E252 PolarHBondContact O-N 3.43Å; F249-E252 PolarHBondContact O-N 3.19Å; E250-E252 VanDerWaalsContact C-N 3.35Å; E252-L255 PolarHBondContact O-N 2.74Å; E252-E256 PolarHBondContact O-N 2.83Å; E252-H287 WeakPolarHBondContact CG-NE2 3.21Å; E252-H287 IonicContact OE1-NE2 2.9Å; E252-H287 PolarHBondContact OE1-NE2 3.05Å; E252-H287 VanDerWaalsContact OE1-NE2 3.13Å
253Q98Very high97.1Very high134 Ų13460 Ų6063%0.62631%0.309SS*.Hα-helixtrans-63.9-39.8175.9-75.1168.669.300112.9F249 E250 A251 L255 E256F249-Q253 WeakPolarHBondContact O-CG 3.46Å; F249-Q253 PolarHBondContact O-N 3.33Å; F249-Q253 VanDerWaalsContact O-N 3.13Å; F249-Q253 PolarHBondContact O-NE2 2.69Å; F249-Q253 VanDerWaalsContact O-NE2 3.15Å; E250-Q253 PolarHBondContact O-N 3.09Å; A251-Q253 VanDerWaalsContact C-N 3.34Å; A251-Q253 PolarHBondContact O-N 2.91Å; Q253-L255 VanDerWaalsContact C-N 3.29Å; Q253-L255 PolarHBondContact O-N 3.31Å; Q253-E256 PolarHBondContact O-N 3.17Å
254L97.8Very high97.1Very high54 Ų5459.3 Ų59.328%0.28331%0.306SS..Hα-helixtrans-67.9-31.5177.6-71.3172.9000112.6W243 L246 E250 A251 Q258 L264 L336W243-L254 HydrophobicContact CD2-CD1 4.15Å; W243-L254 HydrophobicContact CE3-CD1 3.76Å; W243-L254 HydrophobicContact CH2-CD1 3.77Å; W243-L254 HydrophobicContact CH2-CD2 4.04Å; W243-L254 HydrophobicContact CZ2-CD1 4.14Å; W243-L254 HydrophobicContact CZ3-CD1 3.57Å; W243-L254 HydrophobicContact CZ3-CD2 4.3Å; L246-L254 HydrophobicContact CD1-CD1 4.32Å; L246-L254 HydrophobicContact CD2-CD1 3.97Å; E250-L254 WeakPolarHBondContact O-CG 3.33Å; E250-L254 PolarHBondContact O-N 2.97Å; E250-L254 VanDerWaalsContact O-N 3.08Å; A251-L254 PolarHBondContact O-N 3.01Å; L254-Q258 WeakPolarHBondContact O-CG 3.26Å; L254-L264 HydrophobicContact CB-CD2 4.28Å; L254-L264 HydrophobicContact CD1-CD2 4.13Å; L254-L336 HydrophobicContact CB-CD2 3.9Å
255L97.9Very high97.2Very high0 Ų059.4 Ų59.40%031%0.306CS..Hα-helixtrans-89.7-9.5-179.7-67171.1000113.3A251 E252 Q253 G257 Q258 T262 L264 R280 L336A251-L255 WeakPolarHBondContact O-CB 3.46Å; A251-L255 VanDerWaalsContact O-CG 3.3Å; A251-L255 WeakPolarHBondContact O-CG 3.37Å; A251-L255 PolarHBondContact O-N 3.02Å; E252-L255 PolarHBondContact O-N 2.74Å; Q253-L255 VanDerWaalsContact C-N 3.29Å; Q253-L255 PolarHBondContact O-N 3.31Å; L255-G257 PolarHBondContact O-N 3.39Å; L255-Q258 WeakPolarHBondContact O-CB 3.39Å; L255-Q258 PolarHBondContact O-N 3.26Å; L255-Q258 VanDerWaalsContact O-N 3.16Å; L255-T262 HydrophobicContact CD2-CG2 3.87Å; L255-L264 HydrophobicContact CG-CD2 4.34Å; L255-R280 WeakPolarHBondContact O-CD 3.35Å; L255-L336 HydrophobicContact CD2-CD2 4.47Å
256E97.2Very high97.3Very high146 Ų14654.6 Ų54.668%0.68228%0.276SS*.THydrogen-bonded Turntrans-61.8129.2178.1-170.3172.3-160.600110.5E252 Q253 Q258E252-E256 PolarHBondContact O-N 2.83Å; Q253-E256 PolarHBondContact O-N 3.17Å; E256-Q258 PolarHBondContact O-N 3.31Å; E256-Q258 VanDerWaalsContact O-N 3.13Å
257G95.3Very high97.4Very high71 Ų7153.9 Ų53.973%0.73227%0.272SS*.THydrogen-bonded Turntrans70.30-177.700000115.6L255L255-G257 PolarHBondContact O-N 3.39Å
258Q97.6Very high97.4Very high74 Ų7451.4 Ų51.435%0.34626%0.259SS..PPolyproline II helixtrans-72.5153.6175.2-64.3-60.3-25.200111.5L254 L255 E256 T262L254-Q258 WeakPolarHBondContact O-CG 3.26Å; L255-Q258 WeakPolarHBondContact O-CB 3.39Å; L255-Q258 PolarHBondContact O-N 3.26Å; L255-Q258 VanDerWaalsContact O-N 3.16Å; E256-Q258 PolarHBondContact O-N 3.31Å; E256-Q258 VanDerWaalsContact O-N 3.13Å; Q258-T262 HydrophobicContact CB-CG2 3.91Å; Q258-T262 HydrophobicContact CG-CG2 4.14Å
259P97Very high97.2Very high62 Ų6249.1 Ų49.140%0.40327%0.268SS..PPolyproline II helixtrans-65.7157.8175.526.6-32.6000111.5T262P259-T262 WeakPolarHBondContact CD-OG1 3.39Å; P259-T262 WeakPolarHBondContact CG-OG1 3.47Å; P259-T262 VanDerWaalsContact O-CB 3.26Å; P259-T262 WeakPolarHBondContact O-CB 3.32Å; P259-T262 PolarHBondContact O-N 3.16Å; P259-T262 PolarHBondContact O-OG1 3.34Å
260E95.8Very high96.9Very high92 Ų9246.3 Ų46.343%0.4326%0.257SS..THydrogen-bonded Turntrans-57.7143.8174.3178.8155.5-149.300112T262 R281 Y282 L331E260-T262 VanDerWaalsContact C-N 3.26Å; E260-T262 PolarHBondContact O-N 3.26Å; E260-R281 HydrophobicContact CG-CG 4.43Å; E260-R281 WeakPolarHBondContact OE1-CG 3.28Å; E260-Y282 PolarHBondContact OE1-N 3.28Å; E260-L331 HydrophobicContact CG-CD2 4.1Å
261G96Very high96.4Very high0 Ų045.8 Ų45.80%026%0.257CS..THydrogen-bonded Turntrans82.1-4-173.500000114.5F263 R280 L331 S333 R334G261-F263 PolarHBondContact O-N 2.92Å; G261-R280 PolarHBondContact N-O 3.14Å; G261-L331 WeakPolarHBondContact CA-O 3.31Å; G261-S333 WeakPolarHBondContact CA-OG 3.48Å; G261-S333 PolarHBondContact O-N 3.35Å; G261-R334 PolarHBondContact O-N 2.93Å
262T98.2Very high96Very high5 Ų551.9 Ų51.93%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-68.3128.1173.9-52.70000110.6L255 Q258 P259 E260 F279 R280 R334 L336L255-T262 HydrophobicContact CD2-CG2 3.87Å; Q258-T262 HydrophobicContact CB-CG2 3.91Å; Q258-T262 HydrophobicContact CG-CG2 4.14Å; P259-T262 WeakPolarHBondContact CD-OG1 3.39Å; P259-T262 WeakPolarHBondContact CG-OG1 3.47Å; P259-T262 VanDerWaalsContact O-CB 3.26Å; P259-T262 WeakPolarHBondContact O-CB 3.32Å; P259-T262 PolarHBondContact O-N 3.16Å; P259-T262 PolarHBondContact O-OG1 3.34Å; E260-T262 VanDerWaalsContact C-N 3.26Å; E260-T262 PolarHBondContact O-N 3.26Å; T262-F279 CarbonylContact O-C 3.46Å; T262-F279 VanDerWaalsContact O-CA 3.25Å; T262-F279 WeakPolarHBondContact O-CA 3.45Å; T262-R280 PolarHBondContact O-N 3.34Å; T262-R334 CarbonylContact C-O 3.55Å; T262-R334 VanDerWaalsContact CA-O 3.24Å; T262-R334 WeakPolarHBondContact CA-O 3.37Å; T262-L336 HydrophobicContact CG2-CB 4.04Å; T262-L336 HydrophobicContact CG2-CD1 4.31Å
263F98.4Very high95.7Very high12 Ų1251.7 Ų51.75%0.05329%0.287CS..EExtended strand (participates in β ladder)trans-143.5161.8-176.180.3-79.9000113.7C241 G261 V277 S278 F279 L316 L332 R334 P335 L336C241-F263 HydrophobicContact CB-CE2 4.32Å; G261-F263 PolarHBondContact O-N 2.92Å; F263-V277 HydrophobicContact CB-CG1 4.28Å; F263-V277 HydrophobicContact CD2-CG1 4.02Å; F263-S278 CarbonylContact C-O 3.51Å; F263-S278 VanDerWaalsContact CA-O 3.24Å; F263-S278 WeakPolarHBondContact CA-O 3.32Å; F263-F279 HydrophobicContact CB-CB 3.66Å; F263-L316 HydrophobicContact CE2-CD1 4.48Å; F263-L332 HydrophobicContact CB-CD2 3.71Å; F263-L332 VanDerWaalsContact CD1-C 3.43Å; F263-L332 HydrophobicContact CD1-CB 3.8Å; F263-L332 HydrophobicContact CD1-CD2 4.5Å; F263-L332 WeakPolarHBondContact CD1-O 3.39Å; F263-L332 HydrophobicContact CD2-CB 4.17Å; F263-L332 HydrophobicContact CD2-CD2 4.09Å; F263-L332 VanDerWaalsContact CE1-C 3.44Å; F263-L332 HydrophobicContact CE1-CB 3.93Å; F263-L332 WeakPolarHBondContact CE1-O 3.28Å; F263-L332 HydrophobicContact CE2-CB 4.29Å; F263-L332 HydrophobicContact CG-CB 3.92Å; F263-L332 HydrophobicContact CG-CD2 3.86Å; F263-L332 HydrophobicContact CG-CG 4.43Å; F263-L332 HydrophobicContact CZ-CB 4.17Å; F263-R334 VanDerWaalsContact CD1-C 3.5Å; F263-R334 WeakPolarHBondContact CD1-O 3.5Å; F263-R334 PolarHBondContact N-O 3.26Å; F263-P335 VanDerWaalsContact CE1-CA 3.46Å; F263-P335 HydrophobicContact CE1-CB 3.84Å; F263-P335 HydrophobicContact CE1-CG 4.46Å; F263-P335 VanDerWaalsContact CE1-N 3.34Å; F263-P335 HydrophobicContact CZ-CB 3.93Å; F263-L336 WeakPolarHBondContact O-CB 3.49Å; F263-L336 PolarHBondContact O-N 3.01Å
264L98.5Very high95.6Very high0 Ų046.6 Ų46.60%026%0.264CS..EExtended strand (participates in β ladder)trans-142.6148.217061.588.5000110.8W243 L246 A251 L254 L255 R266 V277 S278 L336W243-L264 HydrophobicContact CG-CB 4.45Å; L246-L264 HydrophobicContact CD2-CD1 3.67Å; L246-L264 HydrophobicContact CD2-CD2 4.15Å; A251-L264 HydrophobicContact CB-CD1 4.08Å; A251-L264 HydrophobicContact CB-CD2 4.34Å; L254-L264 HydrophobicContact CB-CD2 4.28Å; L254-L264 HydrophobicContact CD1-CD2 4.13Å; L255-L264 HydrophobicContact CG-CD2 4.34Å; L264-R266 HydrophobicContact CD1-CB 4.07Å; L264-R266 HydrophobicContact CD1-CG 4.06Å; L264-V277 WeakPolarHBondContact O-CA 3.44Å; L264-S278 PolarHBondContact N-O 3.06Å; L264-S278 PolarHBondContact O-N 3.43Å; L264-L336 HydrophobicContact CB-CB 4.42Å; L264-L336 HydrophobicContact CD2-CD2 3.9Å
265L98.6Very high95.6Very high3 Ų344.2 Ų44.22%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-95.5137.2170.2-176.571.7000109I236 C241 Y242 W243 F275 V277 I290 V312 L316I236-L265 HydrophobicContact CG2-CD2 3.68Å; C241-L265 PolarHBondContact O-N 2.92Å; Y242-L265 WeakPolarHBondContact CA-O 3.36Å; Y242-L265 HydrophobicContact CD2-CB 4.24Å; Y242-L265 HydrophobicContact CD2-CD2 3.8Å; Y242-L265 HydrophobicContact CD2-CG 3.9Å; Y242-L265 HydrophobicContact CG-CD2 4.43Å; W243-L265 PolarHBondContact N-O 2.97Å; L265-F275 HydrophobicContact CD1-CB 4.01Å; L265-V277 HydrophobicContact CD1-CG2 3.84Å; L265-I290 HydrophobicContact CD1-CD1 3.79Å; L265-V312 HydrophobicContact CD1-CG1 4.31Å; L265-V312 HydrophobicContact CD2-CG1 4.07Å; L265-L316 HydrophobicContact CB-CD1 4.42Å; L265-L316 HydrophobicContact CD1-CD1 4.45Å; L265-L316 HydrophobicContact CD2-CD1 4.14Å
266R98.3Very high95.6Very high11 Ų1144.3 Ų44.34%0.04225%0.252CS..EExtended strand (participates in β ladder)trans-144.8163.717858.3-179-171.970.95.6111G244 L246 L264 F275 S276 S278G244-R266 WeakPolarHBondContact O-CA 3.39Å; L246-R266 HydrophobicContact CB-CB 3.88Å; L246-R266 HydrophobicContact CD2-CB 4.46Å; L246-R266 WeakPolarHBondContact O-CD 3.48Å; L246-R266 PolarHBondContact O-NH1 2.93Å; L264-R266 HydrophobicContact CD1-CB 4.07Å; L264-R266 HydrophobicContact CD1-CG 4.06Å; R266-F275 CarbonylContact O-C 3.5Å; R266-F275 WeakPolarHBondContact O-CA 3.16Å; R266-S276 VanDerWaalsContact CG-O 3.32Å; R266-S276 WeakPolarHBondContact CG-O 3.47Å; R266-S276 PolarHBondContact N-O 3.31Å; R266-S276 PolarHBondContact O-N 3.27Å; R266-S276 VanDerWaalsContact O-O 3.14Å; R266-S278 PolarHBondContact NE-OG 3.45Å
267D97.5Very high95.7Very high7 Ų737.3 Ų37.34%0.03722%0.219CC..EExtended strand (participates in β ladder)trans-63.6140.4169.3-69.610.2000109.4R17 Y242 G244 L274 Y377R17-D267 IonicContact NH1-OD2 3.02Å; Y242-D267 WeakPolarHBondContact CE2-OD1 3.49Å; Y242-D267 PolarHBondContact OH-OD1 3.49Å; G244-D267 PolarHBondContact O-N 2.87Å; D267-L274 WeakPolarHBondContact CA-O 3.43Å; D267-Y377 PolarHBondContact OD2-OH 2.96Å
268S96.5Very high95.8Very high7 Ų734 Ų345%0.04919%0.185CC..  trans-71.9141.9172.3-151.30000110Y273 L274 S276S268-Y273 WeakPolarHBondContact CB-O 3.4Å; S268-L274 PolarHBondContact N-O 3.34Å; S268-S276 WeakPolarHBondContact CB-OG 3.24Å; S268-S276 PolarHBondContact OG-OG 3.49Å
269A91.3Very high95.8Very high82 Ų8231 Ų3168%0.67817%0.17SC*.SBendtrans-80.8-7.4170.600000112
270Q90.9Very high95.8Very high76 Ų7630 Ų3036%0.35516%0.159SC..SBendtrans-92.1142.7174.2-65.7-155.9-14.400110.4D272 Y273Q270-D272 VanDerWaalsContact C-N 3.3Å; Q270-D272 PolarHBondContact O-N 2.88Å; Q270-Y273 HydrophobicContact CB-CD2 4.05Å; Q270-Y273 PolarHBondContact O-N 3.4Å
271D87.1Confident95.8Very high74 Ų7426.4 Ų26.440%0.39614%0.141SC..THydrogen-bonded Turntrans-68.7-32.1-175.3-68.5-36.3000112.3R12 Y273R12-D271 VanDerWaalsContact NH1-C 3.27Å; R12-D271 PolarHBondContact NH1-O 2.89Å; D271-Y273 PolarHBondContact O-N 3.48Å
272D89.3Confident95.8Very high128 Ų12832.2 Ų32.268%0.68416%0.164SC*.THydrogen-bonded Turntrans-78.7-6.8-175-56.2-27.1000113.7Q270Q270-D272 VanDerWaalsContact C-N 3.3Å; Q270-D272 PolarHBondContact O-N 2.88Å
273Y93.6Very high95.5Very high48 Ų4836.7 Ų36.719%0.18820%0.196CC..  trans-128.5134.6-177.9-59.1-83.3000110.4R17 S268 Q270 D271 R289 E291R17-Y273 PolarHBondContact NH2-O 3.15Å; S268-Y273 WeakPolarHBondContact CB-O 3.4Å; Q270-Y273 HydrophobicContact CB-CD2 4.05Å; Q270-Y273 PolarHBondContact O-N 3.4Å; D271-Y273 PolarHBondContact O-N 3.48Å; Y273-R289 HydrophobicContact CD1-CB 3.83Å; Y273-R289 HydrophobicContact CD2-CB 4.42Å; Y273-R289 HydrophobicContact CD2-CG 4.44Å; Y273-R289 HydrophobicContact CE1-CB 4.1Å; Y273-R289 VanDerWaalsContact CE2-CD 3.5Å; Y273-R289 HydrophobicContact CG-CB 3.98Å; Y273-R289 HydrophobicContact CG-CG 4.4Å; Y273-E291 HydrophobicContact CD1-CG 4.44Å; Y273-E291 HydrophobicContact CE1-CB 4.22Å; Y273-E291 HydrophobicContact CE1-CG 3.7Å; Y273-E291 WeakPolarHBondContact CE1-OE1 3.29Å; Y273-E291 PolarHBondContact OH-OE1 2.91Å
274L95.4Very high95.4Very high27 Ų2744.7 Ų44.714%0.14123%0.225CC..SBendtrans-76.6-45.2176.1-67.7178.2000111.4V230 D267 S268 H378 F379V230-L274 HydrophobicContact CG2-CD1 3.34Å; D267-L274 WeakPolarHBondContact CA-O 3.43Å; S268-L274 PolarHBondContact N-O 3.34Å; L274-H378 WeakPolarHBondContact CD1-O 3.38Å; L274-F379 HydrophobicContact CD1-CB 4.35Å
275F97.7Very high95.4Very high3 Ų345.9 Ų45.91%0.01323%0.234CC..EExtended strand (participates in β ladder)trans-127.6158.5-170.9-56.7-65.3000112.7V230 L233 I236 Y242 L265 R266 I290 V312 Y377V230-F275 HydrophobicContact CG1-CE2 4.04Å; V230-F275 HydrophobicContact CG2-CE2 3.97Å; V230-F275 HydrophobicContact CG2-CZ 4.47Å; L233-F275 HydrophobicContact CD1-CZ 4.29Å; I236-F275 HydrophobicContact CD1-CE2 3.87Å; I236-F275 HydrophobicContact CD1-CZ 3.91Å; Y242-F275 HydrophobicContact CE2-CD1 4.15Å; Y242-F275 AromaticContact CE2-CE1 3.97Å; Y242-F275 HydrophobicContact CE2-CE1 3.97Å; L265-F275 HydrophobicContact CD1-CB 4.01Å; R266-F275 CarbonylContact O-C 3.5Å; R266-F275 WeakPolarHBondContact O-CA 3.16Å; F275-I290 HydrophobicContact CB-CB 4.45Å; F275-I290 HydrophobicContact CB-CD1 4.08Å; F275-I290 HydrophobicContact CB-CG1 4.46Å; F275-I290 PolarHBondContact O-N 3Å; F275-V312 HydrophobicContact CD2-CG2 4.04Å; F275-V312 HydrophobicContact CE2-CG2 4.28Å; F275-Y377 HydrophobicContact CE1-CD1 4.13Å; F275-Y377 AromaticContact CE1-CE1 3.92Å; F275-Y377 HydrophobicContact CE1-CE1 3.92Å; F275-Y377 AromaticContact CZ-CD1 3.88Å; F275-Y377 HydrophobicContact CZ-CD1 3.88Å; F275-Y377 HydrophobicContact CZ-CE1 4.15Å
276S97.9Very high95.3Very high2 Ų248.8 Ų48.81%0.01425%0.249CC..EExtended strand (participates in β ladder)trans-146142.9170-59.30000109.5R266 S268 A288R266-S276 VanDerWaalsContact CG-O 3.32Å; R266-S276 WeakPolarHBondContact CG-O 3.47Å; R266-S276 PolarHBondContact N-O 3.31Å; R266-S276 PolarHBondContact O-N 3.27Å; R266-S276 VanDerWaalsContact O-O 3.14Å; S268-S276 WeakPolarHBondContact CB-OG 3.24Å; S268-S276 PolarHBondContact OG-OG 3.49Å; S276-A288 CarbonylContact C-O 3.56Å; S276-A288 VanDerWaalsContact CA-O 3.3Å; S276-A288 WeakPolarHBondContact CA-O 3.46Å
277V98.1Very high95.2Very high0 Ų050.8 Ų50.80%026%0.259CS..EExtended strand (participates in β ladder)trans-96.6134.6172.4-175.20000108.2F263 L264 L265 F279 H287 A288 I290 F299 L316 L332F263-V277 HydrophobicContact CB-CG1 4.28Å; F263-V277 HydrophobicContact CD2-CG1 4.02Å; L264-V277 WeakPolarHBondContact O-CA 3.44Å; L265-V277 HydrophobicContact CD1-CG2 3.84Å; V277-F279 HydrophobicContact CG1-CD1 4.36Å; V277-H287 CarbonylContact O-C 3.54Å; V277-H287 VanDerWaalsContact O-CA 3.29Å; V277-H287 WeakPolarHBondContact O-CA 2.72Å; V277-A288 PolarHBondContact N-O 3.25Å; V277-A288 PolarHBondContact O-N 3.26Å; V277-I290 HydrophobicContact CG2-CD1 3.99Å; V277-I290 HydrophobicContact CG2-CG1 4.3Å; V277-F299 HydrophobicContact CB-CE1 4.25Å; V277-F299 HydrophobicContact CB-CZ 4.49Å; V277-F299 HydrophobicContact CG2-CE1 3.83Å; V277-F299 HydrophobicContact CG2-CZ 3.94Å; V277-L316 HydrophobicContact CG2-CD2 3.48Å; V277-L316 VanDerWaalsContact CG2-CD2 3.48Å; V277-L332 HydrophobicContact CG1-CD1 4.14Å; V277-L332 HydrophobicContact CG1-CD2 3.51Å
278S98.4Very high95.2Very high0 Ų051.2 Ų51.20%026%0.263CS..EExtended strand (participates in β ladder)trans-115.2129170-52.60000107.8F263 L264 R266 L286 H287F263-S278 CarbonylContact C-O 3.51Å; F263-S278 VanDerWaalsContact CA-O 3.24Å; F263-S278 WeakPolarHBondContact CA-O 3.32Å; L264-S278 PolarHBondContact N-O 3.06Å; L264-S278 PolarHBondContact O-N 3.43Å; R266-S278 PolarHBondContact NE-OG 3.45Å; S278-L286 WeakPolarHBondContact CA-O 3.38Å; S278-H287 VanDerWaalsContact CB-ND1 3.34Å; S278-H287 WeakPolarHBondContact CB-ND1 3.49Å; S278-H287 PolarHBondContact OG-ND1 3.17Å
279F98.1Very high95.2Very high11 Ų1155.8 Ų55.85%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-144.7159-171.464-82.6000111.9T262 F263 V277 R281 S285 L286 A288 P330 L332T262-F279 CarbonylContact O-C 3.46Å; T262-F279 VanDerWaalsContact O-CA 3.25Å; T262-F279 WeakPolarHBondContact O-CA 3.45Å; F263-F279 HydrophobicContact CB-CB 3.66Å; V277-F279 HydrophobicContact CG1-CD1 4.36Å; F279-R281 HydrophobicContact CD2-CB 4.07Å; F279-R281 HydrophobicContact CE2-CB 3.97Å; F279-S285 WeakPolarHBondContact O-CA 3.33Å; F279-L286 HydrophobicContact CD1-CB 4.37Å; F279-L286 HydrophobicContact CD2-CB 4.3Å; F279-L286 HydrophobicContact CE1-CB 3.86Å; F279-L286 HydrophobicContact CE2-CB 3.8Å; F279-L286 HydrophobicContact CE2-CD1 3.78Å; F279-L286 HydrophobicContact CE2-CG 4.36Å; F279-L286 HydrophobicContact CZ-CB 3.55Å; F279-L286 HydrophobicContact CZ-CD1 4Å; F279-L286 HydrophobicContact CZ-CG 4.43Å; F279-L286 PolarHBondContact N-O 3.27Å; F279-L286 PolarHBondContact O-N 3.45Å; F279-A288 HydrophobicContact CE1-CB 4.17Å; F279-P330 HydrophobicContact CD1-CB 4.28Å; F279-P330 HydrophobicContact CE1-CB 3.91Å; F279-P330 HydrophobicContact CE1-CG 4.34Å; F279-P330 HydrophobicContact CE2-CB 4.38Å; F279-P330 HydrophobicContact CZ-CB 3.97Å; F279-P330 HydrophobicContact CZ-CG 4.37Å; F279-L332 HydrophobicContact CB-CD2 3.86Å; F279-L332 HydrophobicContact CD1-CD2 4.35Å; F279-L332 HydrophobicContact CG-CD2 4.12Å
280R97.4Very high95.4Very high42 Ų4252.3 Ų52.316%0.15825%0.249CC..EExtended strand (participates in β ladder)trans-102.9119.9179.6-168.375175.2164.32109.7L255 G261 T262 S283 R284 S285L255-R280 WeakPolarHBondContact O-CD 3.35Å; G261-R280 PolarHBondContact N-O 3.14Å; T262-R280 PolarHBondContact O-N 3.34Å; R280-S283 PolarHBondContact NH1-O 3.05Å; R280-S283 VanDerWaalsContact NH2-C 3.26Å; R280-S283 PolarHBondContact NH2-O 3.25Å; R280-R284 WeakPolarHBondContact CA-O 3.3Å; R280-R284 WeakPolarHBondContact CD-O 3.44Å; R280-R284 VanDerWaalsContact NH1-C 3.33Å; R280-S285 PolarHBondContact NH1-OG 3.02Å
281R95.4Very high95.6Very high17 Ų1750 Ų506%0.06424%0.238CC..EExtended strand (participates in β ladder)trans-145.8143175.7-155.8179.4-175.3165.26.4110.7E260 F279 S283 R284 L286 L326 F327 E329E260-R281 HydrophobicContact CG-CG 4.43Å; E260-R281 WeakPolarHBondContact OE1-CG 3.28Å; F279-R281 HydrophobicContact CD2-CB 4.07Å; F279-R281 HydrophobicContact CE2-CB 3.97Å; R281-S283 PolarHBondContact O-N 3.28Å; R281-S283 VanDerWaalsContact O-N 3.17Å; R281-R284 PolarHBondContact N-O 3.33Å; R281-R284 WeakPolarHBondContact O-CA 3.34Å; R281-R284 PolarHBondContact O-N 2.86Å; R281-L286 HydrophobicContact CB-CD1 4.02Å; R281-L326 VanDerWaalsContact CZ-O 3.31Å; R281-L326 PolarHBondContact NH1-O 2.98Å; R281-L326 PolarHBondContact NH2-O 3.5Å; R281-F327 VanDerWaalsContact CZ-O 3.27Å; R281-F327 VanDerWaalsContact NH1-C 3.33Å; R281-F327 PolarHBondContact NH1-O 3.25Å; R281-F327 VanDerWaalsContact NH1-O 3.1Å; R281-E329 PolarHBondContact NH1-O 3.27Å
282Y94.3Very high95.8Very high122 Ų12248.9 Ų48.948%0.47823%0.231SC..THydrogen-bonded Turntrans5140-179.2-51.7-57.8000114.2E260 R284 F327E260-Y282 PolarHBondContact OE1-N 3.28Å; Y282-R284 PolarHBondContact O-N 3.26Å; Y282-R284 VanDerWaalsContact O-N 3.14Å; Y282-F327 WeakPolarHBondContact CE2-O 3.49Å; Y282-F327 WeakPolarHBondContact OH-CA 3.36Å; Y282-F327 WeakPolarHBondContact OH-CB 3.39Å; Y282-F327 PolarHBondContact OH-O 3.06Å
283S93.1Very high95.7Very high99 Ų9945.2 Ų45.269%0.69222%0.215SC*.THydrogen-bonded Turntrans56.625.5-174.6-58.30000114.6R280 R281R280-S283 PolarHBondContact NH1-O 3.05Å; R280-S283 VanDerWaalsContact NH2-C 3.26Å; R280-S283 PolarHBondContact NH2-O 3.25Å; R281-S283 PolarHBondContact O-N 3.28Å; R281-S283 VanDerWaalsContact O-N 3.17Å
284R96Very high95.3Very high179 Ų17944.4 Ų44.468%0.67522%0.221SC*.EExtended strand (participates in β ladder)trans-127.8148.3176.6-65.8-178.2-178.2-115.60.7110.7R280 R281 Y282 L286R280-R284 WeakPolarHBondContact CA-O 3.3Å; R280-R284 WeakPolarHBondContact CD-O 3.44Å; R280-R284 VanDerWaalsContact NH1-C 3.33Å; R281-R284 PolarHBondContact N-O 3.33Å; R281-R284 WeakPolarHBondContact O-CA 3.34Å; R281-R284 PolarHBondContact O-N 2.86Å; Y282-R284 PolarHBondContact O-N 3.26Å; Y282-R284 VanDerWaalsContact O-N 3.14Å; R284-L286 HydrophobicContact CB-CD2 4.4Å
285S97.7Very high94.9Very high25 Ų2550.2 Ų50.218%0.17525%0.245CC..EExtended strand (participates in β ladder)trans-89.3120.3171-55.60000107.6F279 R280F279-S285 WeakPolarHBondContact O-CA 3.33Å; R280-S285 PolarHBondContact NH1-OG 3.02Å
286L97.3Very high94.6Very high65 Ų6556.2 Ų56.234%0.3427%0.268SS..EExtended strand (participates in β ladder)trans-118.5161.3-177.1-60.2176.4000109.7S278 F279 R281 R284S278-L286 WeakPolarHBondContact CA-O 3.38Å; F279-L286 HydrophobicContact CD1-CB 4.37Å; F279-L286 HydrophobicContact CD2-CB 4.3Å; F279-L286 HydrophobicContact CE1-CB 3.86Å; F279-L286 HydrophobicContact CE2-CB 3.8Å; F279-L286 HydrophobicContact CE2-CD1 3.78Å; F279-L286 HydrophobicContact CE2-CG 4.36Å; F279-L286 HydrophobicContact CZ-CB 3.55Å; F279-L286 HydrophobicContact CZ-CD1 4Å; F279-L286 HydrophobicContact CZ-CG 4.43Å; F279-L286 PolarHBondContact N-O 3.27Å; F279-L286 PolarHBondContact O-N 3.45Å; R281-L286 HydrophobicContact CB-CD1 4.02Å; R284-L286 HydrophobicContact CB-CD2 4.4Å
287H97.3Very high94.5Very high52 Ų5256.4 Ų56.424%0.24127%0.268CS..EExtended strand (participates in β ladder)trans-138.2133.8-178.4-50.2-80000110.4R248 E252 V277 S278R248-H287 WeakPolarHBondContact CG-NE2 3.43Å; R248-H287 PolarHBondContact NE-CD2 2.64Å; R248-H287 PolarHBondContact NE-NE2 2.86Å; E252-H287 WeakPolarHBondContact CG-NE2 3.21Å; E252-H287 IonicContact OE1-NE2 2.9Å; E252-H287 PolarHBondContact OE1-NE2 3.05Å; E252-H287 VanDerWaalsContact OE1-NE2 3.13Å; V277-H287 CarbonylContact O-C 3.54Å; V277-H287 VanDerWaalsContact O-CA 3.29Å; V277-H287 WeakPolarHBondContact O-CA 2.72Å; S278-H287 VanDerWaalsContact CB-ND1 3.34Å; S278-H287 WeakPolarHBondContact CB-ND1 3.49Å; S278-H287 PolarHBondContact OG-ND1 3.17Å
288A96.5Very high94.3Very high16 Ų1656.4 Ų56.413%0.13227%0.269CS..EExtended strand (participates in β ladder)trans-123.4132.7173.400000108.9S276 V277 F279 F299 P330S276-A288 CarbonylContact C-O 3.56Å; S276-A288 VanDerWaalsContact CA-O 3.3Å; S276-A288 WeakPolarHBondContact CA-O 3.46Å; V277-A288 PolarHBondContact N-O 3.25Å; V277-A288 PolarHBondContact O-N 3.26Å; F279-A288 HydrophobicContact CE1-CB 4.17Å; A288-F299 HydrophobicContact CB-CD1 3.46Å; A288-F299 VanDerWaalsContact CB-CD1 3.46Å; A288-F299 HydrophobicContact CB-CE1 3.76Å; A288-F299 HydrophobicContact CB-CG 4.23Å; A288-P330 HydrophobicContact CB-CG 4.16Å
289R96.6Very high94.2Very high103 Ų10357.6 Ų57.639%0.38927%0.274SS..EExtended strand (participates in β ladder)trans-85.9142.7173.3-58.4-169.2-167.6118.713.4108.3Y273Y273-R289 HydrophobicContact CD1-CB 3.83Å; Y273-R289 HydrophobicContact CD2-CB 4.42Å; Y273-R289 HydrophobicContact CD2-CG 4.44Å; Y273-R289 HydrophobicContact CE1-CB 4.1Å; Y273-R289 VanDerWaalsContact CE2-CD 3.5Å; Y273-R289 HydrophobicContact CG-CB 3.98Å; Y273-R289 HydrophobicContact CG-CG 4.4Å
290I96.4Very high93.8Very high9 Ų960 Ų605%0.04629%0.287CS..  trans-90.2112.3174.7-57.2-176.5000106.5L265 F275 V277 F297 F299 V312 L315L265-I290 HydrophobicContact CD1-CD1 3.79Å; F275-I290 HydrophobicContact CB-CB 4.45Å; F275-I290 HydrophobicContact CB-CD1 4.08Å; F275-I290 HydrophobicContact CB-CG1 4.46Å; F275-I290 PolarHBondContact O-N 3Å; V277-I290 HydrophobicContact CG2-CD1 3.99Å; V277-I290 HydrophobicContact CG2-CG1 4.3Å; I290-F297 HydrophobicContact CG2-CB 3.88Å; I290-F297 HydrophobicContact CG2-CD1 3.98Å; I290-F297 HydrophobicContact CG2-CG 4.33Å; I290-F299 HydrophobicContact CD1-CE1 4.49Å; I290-F299 HydrophobicContact CG1-CD1 4.31Å; I290-F299 HydrophobicContact CG1-CE1 3.8Å; I290-V312 HydrophobicContact CD1-CG1 3.64Å; I290-L315 HydrophobicContact CD1-CD2 4.41Å; I290-L315 HydrophobicContact CG1-CD2 4.42Å; I290-L315 HydrophobicContact CG2-CD2 3.83Å
291E94.9Very high93.2Very high28 Ų2860 Ų6013%0.13129%0.293CS..EExtended strand (participates in β ladder)trans-88.2156.3175.8-40.2-151.2125.400109.3Y273 F297 S298 C301Y273-E291 HydrophobicContact CD1-CG 4.44Å; Y273-E291 HydrophobicContact CE1-CB 4.22Å; Y273-E291 HydrophobicContact CE1-CG 3.7Å; Y273-E291 WeakPolarHBondContact CE1-OE1 3.29Å; Y273-E291 PolarHBondContact OH-OE1 2.91Å; E291-F297 VanDerWaalsContact O-CA 3.32Å; E291-F297 WeakPolarHBondContact O-CA 3.34Å; E291-S298 PolarHBondContact N-O 3.06Å; E291-S298 PolarHBondContact O-N 2.9Å; E291-C301 HydrophobicContact CB-CB 4.28Å; E291-C301 PolarHBondContact OE2-N 3.28Å; E291-C301 PolarHBondContact OE2-SG 3Å
292Q90.4Very high92.7Very high51 Ų5169.5 Ų69.524%0.23833%0.329CS..EExtended strand (participates in β ladder)trans-125.1135.9174.4164.5-87.5-35.300109.6G294 R296 F297 F379 K380Q292-G294 PolarHBondContact NE2-O 3.47Å; Q292-R296 VanDerWaalsContact CA-O 3.29Å; Q292-R296 WeakPolarHBondContact CA-O 3.31Å; Q292-F297 HydrophobicContact CB-CD1 3.94Å; Q292-F297 HydrophobicContact CB-CE1 3.99Å; Q292-F297 HydrophobicContact CG-CE1 4.27Å; Q292-F379 HydrophobicContact CG-CB 4.37Å; Q292-F379 HydrophobicContact CG-CD2 3.49Å; Q292-F379 VanDerWaalsContact CG-CD2 3.49Å; Q292-F379 HydrophobicContact CG-CE2 3.82Å; Q292-F379 HydrophobicContact CG-CG 3.95Å; Q292-K380 PolarHBondContact NE2-O 2.99Å; Q292-K380 VanDerWaalsContact NE2-O 3.09Å; Q292-K380 PolarHBondContact OE1-O 3.33Å; Q292-K380 VanDerWaalsContact OE1-O 3.05Å
293S87.3Confident92.4Very high51 Ų5166.5 Ų66.536%0.35732%0.321SS..EExtended strand (participates in β ladder)trans-134.2117.6174.9177.10000108.3K295 R296S293-K295 PolarHBondContact O-N 3.16Å; S293-R296 PolarHBondContact N-O 3.02Å; S293-R296 PolarHBondContact O-N 3.02Å
294G85.6Confident91.9Very high30 Ų3066.9 Ų66.931%0.30932%0.321SS..THydrogen-bonded Turntrans59.3-115.2-172.300000112.1Q292Q292-G294 PolarHBondContact NE2-O 3.47Å
295K86.4Confident91.3Very high149 Ų14964 Ų6465%0.64833%0.327SS*.THydrogen-bonded Turntrans-108.821.1176.6-63.8-179.5-178.9176.30112.9I228 S293I228-K295 HydrophobicContact CD1-CG 4.44Å; S293-K295 PolarHBondContact O-N 3.16Å
296R92.2Very high90.8Very high129 Ų12964 Ų6449%0.48733%0.325SS..EExtended strand (participates in β ladder)trans-126152-174.8-63.1-177.9178.5-98.30.1112.2Q292 S293 R308 D309 V310Q292-R296 VanDerWaalsContact CA-O 3.29Å; Q292-R296 WeakPolarHBondContact CA-O 3.31Å; S293-R296 PolarHBondContact N-O 3.02Å; S293-R296 PolarHBondContact O-N 3.02Å; R296-R308 HydrophobicContact CB-CB 4.11Å; R296-D309 CarbonylContact C-O 3.6Å; R296-D309 WeakPolarHBondContact CA-O 3.43Å; R296-D309 WeakPolarHBondContact CB-O 3.42Å; R296-V310 HydrophobicContact CG-CG1 4.43Å
297F94.8Very high90.6Very high6 Ų664.8 Ų64.83%0.02632%0.324CS..EExtended strand (participates in β ladder)trans-112.4138.2178.9-60-79.8000110.6P231 I290 E291 Q292 R308 D309 V310 V312 L315 F379P231-F297 HydrophobicContact CG-CE2 4.35Å; I290-F297 HydrophobicContact CG2-CB 3.88Å; I290-F297 HydrophobicContact CG2-CD1 3.98Å; I290-F297 HydrophobicContact CG2-CG 4.33Å; E291-F297 VanDerWaalsContact O-CA 3.32Å; E291-F297 WeakPolarHBondContact O-CA 3.34Å; Q292-F297 HydrophobicContact CB-CD1 3.94Å; Q292-F297 HydrophobicContact CB-CE1 3.99Å; Q292-F297 HydrophobicContact CG-CE1 4.27Å; F297-R308 WeakPolarHBondContact O-CA 3.32Å; F297-D309 PolarHBondContact N-O 2.95Å; F297-D309 PolarHBondContact O-N 3.24Å; F297-V310 WeakPolarHBondContact CE2-O 3.44Å; F297-V312 HydrophobicContact CD1-CG2 4.05Å; F297-V312 HydrophobicContact CD2-CG2 4.19Å; F297-V312 HydrophobicContact CE1-CG2 4.19Å; F297-V312 HydrophobicContact CE2-CG2 4.33Å; F297-V312 HydrophobicContact CG-CG2 4.05Å; F297-V312 HydrophobicContact CZ-CG2 4.33Å; F297-L315 HydrophobicContact CB-CD2 4.13Å; F297-F379 HydrophobicContact CE1-CD1 4.36Å; F297-F379 HydrophobicContact CE1-CE1 4.46Å; F297-F379 HydrophobicContact CZ-CD1 4.1Å; F297-F379 AromaticContact CZ-CE1 3.79Å; F297-F379 HydrophobicContact CZ-CE1 3.79Å; F297-F379 HydrophobicContact CZ-CZ 4.33Å
298S95.3Very high90.4Very high1 Ų165.8 Ų65.81%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-151.7172.2174.866.20000111.2E291 D300 Y307E291-S298 PolarHBondContact N-O 3.06Å; E291-S298 PolarHBondContact O-N 2.9Å; S298-D300 VanDerWaalsContact OG-C 3.31Å; S298-D300 PolarHBondContact OG-O 3.26Å; S298-Y307 VanDerWaalsContact CB-O 3.31Å; S298-Y307 WeakPolarHBondContact CB-O 3.48Å
299F94.6Very high90.3Very high25 Ų2566.3 Ų66.311%0.1133%0.326CS..SBendtrans-87.7-17.6174.5-69.4-63.7000113.8V277 A288 I290 L315 Y319 P330 L332V277-F299 HydrophobicContact CB-CE1 4.25Å; V277-F299 HydrophobicContact CB-CZ 4.49Å; V277-F299 HydrophobicContact CG2-CE1 3.83Å; V277-F299 HydrophobicContact CG2-CZ 3.94Å; A288-F299 HydrophobicContact CB-CD1 3.46Å; A288-F299 VanDerWaalsContact CB-CD1 3.46Å; A288-F299 HydrophobicContact CB-CE1 3.76Å; A288-F299 HydrophobicContact CB-CG 4.23Å; I290-F299 HydrophobicContact CD1-CE1 4.49Å; I290-F299 HydrophobicContact CG1-CD1 4.31Å; I290-F299 HydrophobicContact CG1-CE1 3.8Å; F299-L315 HydrophobicContact CD2-CD1 4.44Å; F299-L315 HydrophobicContact CD2-CD2 4.49Å; F299-L315 HydrophobicContact CE2-CD1 4.35Å; F299-L315 HydrophobicContact CE2-CD2 4.22Å; F299-L315 HydrophobicContact CE2-CG 4.11Å; F299-L315 HydrophobicContact CZ-CD2 4.26Å; F299-L315 HydrophobicContact CZ-CG 4.44Å; F299-Y319 AromaticContact CD2-CD2 3.94Å; F299-Y319 HydrophobicContact CD2-CD2 3.94Å; F299-Y319 AromaticContact CD2-CE2 3.51Å; F299-Y319 HydrophobicContact CD2-CE2 3.51Å; F299-Y319 AromaticContact CD2-CZ 3.91Å; F299-Y319 AromaticContact CE2-CD2 3.45Å; F299-Y319 HydrophobicContact CE2-CD2 3.45Å; F299-Y319 VanDerWaalsContact CE2-CD2 3.45Å; F299-Y319 AromaticContact CE2-CE2 3.54Å; F299-Y319 HydrophobicContact CE2-CE2 3.54Å; F299-Y319 HydrophobicContact CE2-CG 4.1Å; F299-P330 HydrophobicContact CD1-CG 4.37Å; F299-P330 HydrophobicContact CD2-CG 3.66Å; F299-P330 HydrophobicContact CE1-CG 4.42Å; F299-P330 HydrophobicContact CE2-CB 4.18Å; F299-P330 HydrophobicContact CE2-CG 3.71Å; F299-P330 HydrophobicContact CG-CG 4Å; F299-P330 HydrophobicContact CZ-CB 4.37Å; F299-P330 HydrophobicContact CZ-CG 4.11Å; F299-L332 HydrophobicContact CE2-CD1 4.48Å; F299-L332 HydrophobicContact CZ-CD1 4.14Å
300D90.5Very high90.2Very high62 Ų6265.3 Ų65.333%0.33233%0.331SS..  trans-146.6117.7170.6-170.9-24.3000107.6S298 R302 D303 M306S298-D300 VanDerWaalsContact OG-C 3.31Å; S298-D300 PolarHBondContact OG-O 3.26Å; D300-R302 WeakPolarHBondContact OD1-CA 3.44Å; D300-R302 VanDerWaalsContact OD1-CB 3.31Å; D300-R302 WeakPolarHBondContact OD1-CB 3.31Å; D300-R302 PolarHBondContact OD1-N 3.04Å; D300-D303 HydrophobicContact CB-CB 4.49Å; D300-D303 PolarHBondContact OD1-N 3.36Å; D300-M306 HydrophobicContact CB-CG 4.15Å
301C85.6Confident90.1Very high41 Ų4166 Ų6628%0.27734%0.336SS..SBendtrans-83.6-16178.367.20000113.4E291 R308E291-C301 HydrophobicContact CB-CB 4.28Å; E291-C301 PolarHBondContact OE2-N 3.28Å; E291-C301 PolarHBondContact OE2-SG 3Å; C301-R308 PolarHBondContact O-NH2 3.15Å
302R85Confident90.2Very high217 Ų21764.6 Ų64.682%0.81933%0.33SS*.SBendtrans-82.6-27.3-176.1-56.4179.2-179.2-172-1111.5D300 P304D300-R302 WeakPolarHBondContact OD1-CA 3.44Å; D300-R302 VanDerWaalsContact OD1-CB 3.31Å; D300-R302 WeakPolarHBondContact OD1-CB 3.31Å; D300-R302 PolarHBondContact OD1-N 3.04Å; R302-P304 WeakPolarHBondContact O-CD 3.23Å
303D86.3Confident90.4Very high59 Ų5963.4 Ų63.432%0.31633%0.326SS..  trans-83.6117.3173.5-169.1-12.4000110.5D300 C305 M306 R308D300-D303 HydrophobicContact CB-CB 4.49Å; D300-D303 PolarHBondContact OD1-N 3.36Å; D303-C305 VanDerWaalsContact C-N 3.26Å; D303-C305 PolarHBondContact O-N 3.42Å; D303-C305 VanDerWaalsContact OD1-CB 3.32Å; D303-C305 WeakPolarHBondContact OD1-CB 3.49Å; D303-C305 PolarHBondContact OD1-N 2.9Å; D303-M306 HydrophobicContact CB-CB 4.19Å; D303-M306 HydrophobicContact CB-CG 3.64Å; D303-R308 PolarHBondContact O-NH2 3.27Å
304P82.8Confident90.8Very high107 Ų10761.7 Ų61.770%0.69532%0.317SS*.THydrogen-bonded Turntrans-68.4-24.3174.8-16.631.5000113.3R302 M306R302-P304 WeakPolarHBondContact O-CD 3.23Å; P304-M306 VanDerWaalsContact C-N 3.34Å
305C83.9Confident91.3Very high118 Ų11860.3 Ų60.380%0.79730%0.302SS*.THydrogen-bonded Turntrans-82.2-15-177.6-640000112.6D303D303-C305 VanDerWaalsContact C-N 3.26Å; D303-C305 PolarHBondContact O-N 3.42Å; D303-C305 VanDerWaalsContact OD1-CB 3.32Å; D303-C305 WeakPolarHBondContact OD1-CB 3.49Å; D303-C305 PolarHBondContact OD1-N 2.9Å
306M88.1Confident91.8Very high25 Ų2553.6 Ų53.612%0.12327%0.273CS..SBendtrans-69.8137.8177.5-78.7-88.486.700111.4D300 D303 P304 R308 F328 E329D300-M306 HydrophobicContact CB-CG 4.15Å; D303-M306 HydrophobicContact CB-CB 4.19Å; D303-M306 HydrophobicContact CB-CG 3.64Å; P304-M306 VanDerWaalsContact C-N 3.34Å; M306-R308 VanDerWaalsContact O-CG 3.31Å; M306-R308 WeakPolarHBondContact O-CG 3.46Å; M306-F328 HydrophobicContact CE-CE2 4.02Å; M306-E329 HydrophobicContact CE-CG 4.16Å; M306-E329 VanDerWaalsContact CE-OE1 3.28Å; M306-E329 WeakPolarHBondContact CE-OE1 3.33Å
307Y91.4Very high91.9Very high81 Ų8155.2 Ų55.232%0.31828%0.284SS..  trans-61.8138.3178.7-178.4-99000111.6S298 D309 L315 H318 Y319S298-Y307 VanDerWaalsContact CB-O 3.31Å; S298-Y307 WeakPolarHBondContact CB-O 3.48Å; Y307-D309 HydrophobicContact CE1-CB 3.96Å; Y307-D309 PolarHBondContact OH-OD2 2.92Å; Y307-L315 HydrophobicContact CD1-CD1 3.94Å; Y307-L315 HydrophobicContact CE1-CD1 4.47Å; Y307-H318 HydrophobicContact CD1-CB 3.61Å; Y307-H318 AromaticContact CD1-CD2 3.44Å; Y307-H318 VanDerWaalsContact CD1-CD2 3.44Å; Y307-H318 WeakPolarHBondContact CD1-CD2 3.35Å; Y307-H318 AromaticContact CD1-CG 3.38Å; Y307-H318 AromaticContact CD1-ND1 3.94Å; Y307-H318 AromaticContact CD2-CD2 3.98Å; Y307-H318 AromaticContact CD2-CE1 3.48Å; Y307-H318 VanDerWaalsContact CD2-CE1 3.48Å; Y307-H318 WeakPolarHBondContact CD2-CE1 3.47Å; Y307-H318 AromaticContact CD2-CG 3.9Å; Y307-H318 AromaticContact CD2-ND1 3.6Å; Y307-H318 AromaticContact CD2-NE2 3.71Å; Y307-H318 HydrophobicContact CE1-CB 3.29Å; Y307-H318 AromaticContact CE1-CG 3.44Å; Y307-H318 VanDerWaalsContact CE1-CG 3.44Å; Y307-H318 AromaticContact CE1-ND1 3.86Å; Y307-H318 AromaticContact CE2-CE1 3.83Å; Y307-H318 AromaticContact CE2-CG 3.97Å; Y307-H318 AromaticContact CE2-ND1 3.52Å; Y307-H318 HydrophobicContact CG-CB 4.34Å; Y307-H318 AromaticContact CG-CD2 3.4Å; Y307-H318 VanDerWaalsContact CG-CD2 3.4Å; Y307-H318 AromaticContact CG-CE1 3.72Å; Y307-H318 AromaticContact CG-CG 3.6Å; Y307-H318 AromaticContact CG-ND1 3.8Å; Y307-H318 AromaticContact CG-NE2 3.48Å; Y307-H318 AromaticContact CZ-CG 3.72Å; Y307-H318 AromaticContact CZ-ND1 3.63Å; Y307-Y319 HydrophobicContact CD1-CE2 4.45Å
308R93.8Very high91.9Very high74 Ų7458.2 Ų58.228%0.27930%0.298SS..  trans-132.1132.7-179.1-43.5-171.9177.9-177.6-7.9110.5R296 F297 C301 D303 M306R296-R308 HydrophobicContact CB-CB 4.11Å; F297-R308 WeakPolarHBondContact O-CA 3.32Å; C301-R308 PolarHBondContact O-NH2 3.15Å; D303-R308 PolarHBondContact O-NH2 3.27Å; M306-R308 VanDerWaalsContact O-CG 3.31Å; M306-R308 WeakPolarHBondContact O-CG 3.46Å
309D95.1Very high91.9Very high26 Ų2658.2 Ų58.214%0.13930%0.298CS..BIsolated β-bridgetrans-121.6158.2178-161.9-83.2000111.3R296 F297 Y307 S311 L315R296-D309 CarbonylContact C-O 3.6Å; R296-D309 WeakPolarHBondContact CA-O 3.43Å; R296-D309 WeakPolarHBondContact CB-O 3.42Å; F297-D309 PolarHBondContact N-O 2.95Å; F297-D309 PolarHBondContact O-N 3.24Å; Y307-D309 HydrophobicContact CE1-CB 3.96Å; Y307-D309 PolarHBondContact OH-OD2 2.92Å; D309-S311 WeakPolarHBondContact CB-O 3.46Å; D309-S311 PolarHBondContact O-N 2.7Å; D309-S311 WeakPolarHBondContact OD1-CA 3.15Å; D309-S311 PolarHBondContact OD1-N 3.32Å; D309-S311 PolarHBondContact OD1-OG 3.04Å; D309-L315 HydrophobicContact CB-CB 4.11Å
310V93.5Very high91.9Very high83 Ų8359.3 Ų59.350%0.50331%0.308SS..SBendtrans-77.4-12.5175.1-65.30000112.7R296 F297R296-V310 HydrophobicContact CG-CG1 4.43Å; F297-V310 WeakPolarHBondContact CE2-O 3.44Å
311S95.1Very high91.9Very high22 Ų2259.9 Ų59.915%0.15431%0.311CS..SBendtrans-130.9149.2-176.965.20000110.9D309 T313 G314 L315D309-S311 WeakPolarHBondContact CB-O 3.46Å; D309-S311 PolarHBondContact O-N 2.7Å; D309-S311 WeakPolarHBondContact OD1-CA 3.15Å; D309-S311 PolarHBondContact OD1-N 3.32Å; D309-S311 PolarHBondContact OD1-OG 3.04Å; S311-T313 VanDerWaalsContact C-N 3.34Å; S311-G314 WeakPolarHBondContact OG-CA 3.27Å; S311-G314 PolarHBondContact OG-N 3.48Å; S311-L315 PolarHBondContact O-N 3.13Å; S311-L315 VanDerWaalsContact O-N 3.14Å
312V96.2Very high92.1Very high0 Ų061.8 Ų61.80%032%0.323CS..Hα-helixtrans-67.3-40.4172.3174.10000109.8D232 I236 L265 F275 I290 F297 G314 L315 L316D232-V312 PolarHBondContact OD1-N 3.18Å; D232-V312 WeakPolarHBondContact OD2-CA 3.41Å; D232-V312 WeakPolarHBondContact OD2-CB 3.48Å; D232-V312 PolarHBondContact OD2-N 2.93Å; I236-V312 HydrophobicContact CD1-CB 3.76Å; I236-V312 HydrophobicContact CD1-CG1 4.13Å; I236-V312 HydrophobicContact CD1-CG2 4.04Å; I236-V312 HydrophobicContact CG1-CB 4.25Å; I236-V312 HydrophobicContact CG1-CG1 4.43Å; L265-V312 HydrophobicContact CD1-CG1 4.31Å; L265-V312 HydrophobicContact CD2-CG1 4.07Å; F275-V312 HydrophobicContact CD2-CG2 4.04Å; F275-V312 HydrophobicContact CE2-CG2 4.28Å; I290-V312 HydrophobicContact CD1-CG1 3.64Å; F297-V312 HydrophobicContact CD1-CG2 4.05Å; F297-V312 HydrophobicContact CD2-CG2 4.19Å; F297-V312 HydrophobicContact CE1-CG2 4.19Å; F297-V312 HydrophobicContact CE2-CG2 4.33Å; F297-V312 HydrophobicContact CG-CG2 4.05Å; F297-V312 HydrophobicContact CZ-CG2 4.33Å; V312-G314 PolarHBondContact O-N 3.34Å; V312-L315 WeakPolarHBondContact O-CB 3.35Å; V312-L315 PolarHBondContact O-N 3.32Å; V312-L316 HydrophobicContact CG1-CD1 4.4Å; V312-L316 HydrophobicContact CG1-CG 4.45Å; V312-L316 VanDerWaalsContact O-CG 3.32Å; V312-L316 WeakPolarHBondContact O-CG 3.47Å; V312-L316 PolarHBondContact O-N 2.81Å
313T96.1Very high92.3Very high26 Ų2655.7 Ų55.716%0.1632%0.319CS..Hα-helixtrans-62-40.9178.3550000112.5D232 Q235 I236 S311 L316 K317D232-T313 PolarHBondContact OD2-N 3.18Å; D232-T313 PolarHBondContact OD2-OG1 2.79Å; Q235-T313 HydrophobicContact CB-CG2 3.86Å; Q235-T313 PolarHBondContact OE1-OG1 2.84Å; I236-T313 HydrophobicContact CG1-CG2 4.03Å; S311-T313 VanDerWaalsContact C-N 3.34Å; T313-L316 PolarHBondContact O-N 3.29Å; T313-K317 WeakPolarHBondContact O-CB 3.25Å; T313-K317 PolarHBondContact O-N 3.5Å
314G95.5Very high92.2Very high15 Ų1556.7 Ų56.716%0.15533%0.328CS..Hα-helixtrans-63.9-43.3174.100000112.5S311 V312 L316 K317 H318S311-G314 WeakPolarHBondContact OG-CA 3.27Å; S311-G314 PolarHBondContact OG-N 3.48Å; V312-G314 PolarHBondContact O-N 3.34Å; G314-L316 PolarHBondContact O-N 3.39Å; G314-K317 WeakPolarHBondContact O-CB 3.41Å; G314-K317 PolarHBondContact O-N 2.78Å; G314-K317 VanDerWaalsContact O-N 3.17Å; G314-H318 PolarHBondContact O-N 3.24Å
315L95.9Very high92.5Very high0 Ų052.3 Ų52.30%030%0.299CS..Hα-helixtrans-56.4-49.1173.3-178.565.7000111.3I290 F297 F299 Y307 D309 S311 V312 K317 H318 Y319I290-L315 HydrophobicContact CD1-CD2 4.41Å; I290-L315 HydrophobicContact CG1-CD2 4.42Å; I290-L315 HydrophobicContact CG2-CD2 3.83Å; F297-L315 HydrophobicContact CB-CD2 4.13Å; F299-L315 HydrophobicContact CD2-CD1 4.44Å; F299-L315 HydrophobicContact CD2-CD2 4.49Å; F299-L315 HydrophobicContact CE2-CD1 4.35Å; F299-L315 HydrophobicContact CE2-CD2 4.22Å; F299-L315 HydrophobicContact CE2-CG 4.11Å; F299-L315 HydrophobicContact CZ-CD2 4.26Å; F299-L315 HydrophobicContact CZ-CG 4.44Å; Y307-L315 HydrophobicContact CD1-CD1 3.94Å; Y307-L315 HydrophobicContact CE1-CD1 4.47Å; D309-L315 HydrophobicContact CB-CB 4.11Å; S311-L315 PolarHBondContact O-N 3.13Å; S311-L315 VanDerWaalsContact O-N 3.14Å; V312-L315 WeakPolarHBondContact O-CB 3.35Å; V312-L315 PolarHBondContact O-N 3.32Å; L315-K317 VanDerWaalsContact C-N 3.29Å; L315-K317 PolarHBondContact O-N 2.93Å; L315-H318 PolarHBondContact O-N 3.2Å; L315-Y319 HydrophobicContact CD1-CD2 4.14Å; L315-Y319 HydrophobicContact CD1-CE2 3.7Å; L315-Y319 HydrophobicContact CG-CE2 4.5Å; L315-Y319 WeakPolarHBondContact O-CD2 3.47Å
316L96.3Very high92.7Very high9 Ų950.9 Ų50.95%0.04728%0.284CS..Hα-helixtrans-61.8-38178.5-62.7178.8000112.4F263 L265 V277 V312 T313 G314 Y319 S320 L332F263-L316 HydrophobicContact CE2-CD1 4.48Å; L265-L316 HydrophobicContact CB-CD1 4.42Å; L265-L316 HydrophobicContact CD1-CD1 4.45Å; L265-L316 HydrophobicContact CD2-CD1 4.14Å; V277-L316 HydrophobicContact CG2-CD2 3.48Å; V277-L316 VanDerWaalsContact CG2-CD2 3.48Å; V312-L316 HydrophobicContact CG1-CD1 4.4Å; V312-L316 HydrophobicContact CG1-CG 4.45Å; V312-L316 VanDerWaalsContact O-CG 3.32Å; V312-L316 WeakPolarHBondContact O-CG 3.47Å; V312-L316 PolarHBondContact O-N 2.81Å; T313-L316 PolarHBondContact O-N 3.29Å; G314-L316 PolarHBondContact O-N 3.39Å; L316-Y319 PolarHBondContact O-N 2.9Å; L316-S320 PolarHBondContact O-N 3.14Å; L316-L332 HydrophobicContact CD2-CD1 3.59Å
317K94.9Very high92.6Very high162 Ų16256.7 Ų56.770%0.70431%0.308SS*.Hα-helixtrans-65.3-39.4180-172.9179.1179.3-1780111.9T313 G314 L315 Y319 S320T313-K317 WeakPolarHBondContact O-CB 3.25Å; T313-K317 PolarHBondContact O-N 3.5Å; G314-K317 WeakPolarHBondContact O-CB 3.41Å; G314-K317 PolarHBondContact O-N 2.78Å; G314-K317 VanDerWaalsContact O-N 3.17Å; L315-K317 VanDerWaalsContact C-N 3.29Å; L315-K317 PolarHBondContact O-N 2.93Å; K317-Y319 VanDerWaalsContact C-N 3.31Å; K317-Y319 PolarHBondContact O-N 3.06Å; K317-S320 WeakPolarHBondContact O-CB 3.47Å; K317-S320 PolarHBondContact O-N 2.68Å; K317-S320 PolarHBondContact O-OG 3.4Å
318H94.2Very high92.2Very high69 Ų6958.8 Ų58.832%0.31932%0.319SS..Hα-helixtrans-58.4-43.3177.5179.979.5000112.4Y307 G314 L315 S320Y307-H318 HydrophobicContact CD1-CB 3.61Å; Y307-H318 AromaticContact CD1-CD2 3.44Å; Y307-H318 VanDerWaalsContact CD1-CD2 3.44Å; Y307-H318 WeakPolarHBondContact CD1-CD2 3.35Å; Y307-H318 AromaticContact CD1-CG 3.38Å; Y307-H318 AromaticContact CD1-ND1 3.94Å; Y307-H318 AromaticContact CD2-CD2 3.98Å; Y307-H318 AromaticContact CD2-CE1 3.48Å; Y307-H318 VanDerWaalsContact CD2-CE1 3.48Å; Y307-H318 WeakPolarHBondContact CD2-CE1 3.47Å; Y307-H318 AromaticContact CD2-CG 3.9Å; Y307-H318 AromaticContact CD2-ND1 3.6Å; Y307-H318 AromaticContact CD2-NE2 3.71Å; Y307-H318 HydrophobicContact CE1-CB 3.29Å; Y307-H318 AromaticContact CE1-CG 3.44Å; Y307-H318 VanDerWaalsContact CE1-CG 3.44Å; Y307-H318 AromaticContact CE1-ND1 3.86Å; Y307-H318 AromaticContact CE2-CE1 3.83Å; Y307-H318 AromaticContact CE2-CG 3.97Å; Y307-H318 AromaticContact CE2-ND1 3.52Å; Y307-H318 HydrophobicContact CG-CB 4.34Å; Y307-H318 AromaticContact CG-CD2 3.4Å; Y307-H318 VanDerWaalsContact CG-CD2 3.4Å; Y307-H318 AromaticContact CG-CE1 3.72Å; Y307-H318 AromaticContact CG-CG 3.6Å; Y307-H318 AromaticContact CG-ND1 3.8Å; Y307-H318 AromaticContact CG-NE2 3.48Å; Y307-H318 AromaticContact CZ-CG 3.72Å; Y307-H318 AromaticContact CZ-ND1 3.63Å; G314-H318 PolarHBondContact O-N 3.24Å; L315-H318 PolarHBondContact O-N 3.2Å; H318-S320 PolarHBondContact O-N 3.18Å
319Y94.9Very high92.1Very high1 Ų156.1 Ų56.10%0.00431%0.31CS..THydrogen-bonded Turntrans-82.99.9-179.3-73.6-74.9000114.4F299 Y307 L315 L316 K317 E329 P330 L332F299-Y319 AromaticContact CD2-CD2 3.94Å; F299-Y319 HydrophobicContact CD2-CD2 3.94Å; F299-Y319 AromaticContact CD2-CE2 3.51Å; F299-Y319 HydrophobicContact CD2-CE2 3.51Å; F299-Y319 AromaticContact CD2-CZ 3.91Å; F299-Y319 AromaticContact CE2-CD2 3.45Å; F299-Y319 HydrophobicContact CE2-CD2 3.45Å; F299-Y319 VanDerWaalsContact CE2-CD2 3.45Å; F299-Y319 AromaticContact CE2-CE2 3.54Å; F299-Y319 HydrophobicContact CE2-CE2 3.54Å; F299-Y319 HydrophobicContact CE2-CG 4.1Å; Y307-Y319 HydrophobicContact CD1-CE2 4.45Å; L315-Y319 HydrophobicContact CD1-CD2 4.14Å; L315-Y319 HydrophobicContact CD1-CE2 3.7Å; L315-Y319 HydrophobicContact CG-CE2 4.5Å; L315-Y319 WeakPolarHBondContact O-CD2 3.47Å; L316-Y319 PolarHBondContact O-N 2.9Å; K317-Y319 VanDerWaalsContact C-N 3.31Å; K317-Y319 PolarHBondContact O-N 3.06Å; Y319-E329 HydrophobicContact CD1-CB 4.08Å; Y319-E329 HydrophobicContact CE1-CB 3.74Å; Y319-E329 HydrophobicContact CE1-CG 3.86Å; Y319-P330 WeakPolarHBondContact CB-O 3.43Å; Y319-P330 WeakPolarHBondContact CD1-O 3.48Å; Y319-L332 PolarHBondContact O-N 3.36Å
320S94.3Very high91.9Very high48 Ų4855.4 Ų55.434%0.33631%0.307SS..THydrogen-bonded Turntrans-83.7-24.5-177.469.90000114.4L316 K317 H318 P322 L332 S333L316-S320 PolarHBondContact O-N 3.14Å; K317-S320 WeakPolarHBondContact O-CB 3.47Å; K317-S320 PolarHBondContact O-N 2.68Å; K317-S320 PolarHBondContact O-OG 3.4Å; H318-S320 PolarHBondContact O-N 3.18Å; S320-P322 WeakPolarHBondContact O-CD 3.44Å; S320-L332 WeakPolarHBondContact CA-O 3.48Å; S320-L332 WeakPolarHBondContact CB-O 3.44Å; S320-S333 VanDerWaalsContact O-CA 3.26Å; S320-S333 WeakPolarHBondContact O-CA 3.48Å; S320-S333 WeakPolarHBondContact O-CB 3.36Å
321D92Very high92Very high74 Ų7452.2 Ų52.240%0.39629%0.287SS..  trans-87.9117.8-177.9-174.1-0.9000111.1A323 T324 C325D321-A323 PolarHBondContact O-N 3.36Å; D321-A323 WeakPolarHBondContact OD1-CB 3.41Å; D321-A323 PolarHBondContact OD1-N 3.18Å; D321-T324 PolarHBondContact O-N 2.78Å; D321-T324 PolarHBondContact O-OG1 3.07Å; D321-C325 WeakPolarHBondContact O-CB 3.41Å; D321-C325 PolarHBondContact O-N 3.03Å
322P89Confident92.1Very high81 Ų8151.2 Ų51.253%0.52628%0.28SS..THydrogen-bonded Turntrans-61.7-24.2175-18.830.8000114.1S320 L331S320-P322 WeakPolarHBondContact O-CD 3.44Å; P322-L331 HydrophobicContact CB-CD1 4.01Å; P322-L331 HydrophobicContact CG-CD1 4.09Å
323A88.6Confident92.1Very high89 Ų8953.2 Ų53.274%0.73629%0.294SS*.THydrogen-bonded Turntrans-74.3-27.4-177.700000112.9D321D321-A323 PolarHBondContact O-N 3.36Å; D321-A323 WeakPolarHBondContact OD1-CB 3.41Å; D321-A323 PolarHBondContact OD1-N 3.18Å
324T84.6Confident92.1Very high80 Ų8058.7 Ų58.749%0.49131%0.311SS..THydrogen-bonded Turntrans-100.4-13.2-179.260.60000112.9D321D321-T324 PolarHBondContact O-N 2.78Å; D321-T324 PolarHBondContact O-OG1 3.07Å
325C88.8Confident92.2Very high15 Ų1561.3 Ų61.310%0.10133%0.326CS..  trans-84.5117.5-174.3-174.20000112.4D321 P330 L331D321-C325 WeakPolarHBondContact O-CB 3.41Å; D321-C325 PolarHBondContact O-N 3.03Å; C325-P330 PolarHBondContact SG-O 3.19Å; C325-P330 VanDerWaalsContact SG-O 3.37Å; C325-L331 HydrophobicContact CB-CD1 4Å
326L88.3Confident92.3Very high89 Ų8962.6 Ų62.647%0.46633%0.333SS..  trans-68.6160.6176.8-59.2174.4000111.3R281 F328 E329R281-L326 VanDerWaalsContact CZ-O 3.31Å; R281-L326 PolarHBondContact NH1-O 2.98Å; R281-L326 PolarHBondContact NH2-O 3.5Å; L326-F328 HydrophobicContact CB-CD1 4.11Å; L326-F328 HydrophobicContact CB-CE1 3.73Å; L326-F328 HydrophobicContact CB-CZ 3.99Å; L326-F328 HydrophobicContact CD1-CE1 3.67Å; L326-F328 HydrophobicContact CD1-CE2 4.32Å; L326-F328 HydrophobicContact CD1-CZ 3.39Å; L326-F328 HydrophobicContact CG-CE1 4.32Å; L326-F328 HydrophobicContact CG-CZ 4.34Å; L326-F328 PolarHBondContact O-N 2.69Å; L326-F328 VanDerWaalsContact O-N 3.17Å; L326-E329 HydrophobicContact CB-CG 3.96Å; L326-E329 PolarHBondContact N-OE2 3.05Å; L326-E329 PolarHBondContact O-N 2.76Å; L326-E329 VanDerWaalsContact O-N 3.13Å
327F85.4Confident92.4Very high147 Ų14766 Ų6665%0.64536%0.355SS*.THydrogen-bonded Turntrans-61.9-25.8-174.575-91.6000114.5R281 Y282R281-F327 VanDerWaalsContact CZ-O 3.27Å; R281-F327 VanDerWaalsContact NH1-C 3.33Å; R281-F327 PolarHBondContact NH1-O 3.25Å; R281-F327 VanDerWaalsContact NH1-O 3.1Å; Y282-F327 WeakPolarHBondContact CE2-O 3.49Å; Y282-F327 WeakPolarHBondContact OH-CA 3.36Å; Y282-F327 WeakPolarHBondContact OH-CB 3.39Å; Y282-F327 PolarHBondContact OH-O 3.06Å
328F84.6Confident92.5Very high124 Ų12460.7 Ų60.754%0.54433%0.331SS..THydrogen-bonded Turntrans-94.2-9.9-179.858.8-95.5000113.5M306 L326M306-F328 HydrophobicContact CE-CE2 4.02Å; L326-F328 HydrophobicContact CB-CD1 4.11Å; L326-F328 HydrophobicContact CB-CE1 3.73Å; L326-F328 HydrophobicContact CB-CZ 3.99Å; L326-F328 HydrophobicContact CD1-CE1 3.67Å; L326-F328 HydrophobicContact CD1-CE2 4.32Å; L326-F328 HydrophobicContact CD1-CZ 3.39Å; L326-F328 HydrophobicContact CG-CE1 4.32Å; L326-F328 HydrophobicContact CG-CZ 4.34Å; L326-F328 PolarHBondContact O-N 2.69Å; L326-F328 VanDerWaalsContact O-N 3.17Å
329E90.9Very high92.6Very high19 Ų1961.9 Ų61.99%0.08934%0.339CS..SBendtrans-81.4168-176.2-72-179.3148.700112.7R281 M306 Y319 L326 L331R281-E329 PolarHBondContact NH1-O 3.27Å; M306-E329 HydrophobicContact CE-CG 4.16Å; M306-E329 VanDerWaalsContact CE-OE1 3.28Å; M306-E329 WeakPolarHBondContact CE-OE1 3.33Å; Y319-E329 HydrophobicContact CD1-CB 4.08Å; Y319-E329 HydrophobicContact CE1-CB 3.74Å; Y319-E329 HydrophobicContact CE1-CG 3.86Å; L326-E329 HydrophobicContact CB-CG 3.96Å; L326-E329 PolarHBondContact N-OE2 3.05Å; L326-E329 PolarHBondContact O-N 2.76Å; L326-E329 VanDerWaalsContact O-N 3.13Å; E329-L331 PolarHBondContact O-N 3.02Å
330P91.6Very high92.6Very high11 Ų1166.1 Ų66.17%0.07136%0.358CS..  trans-72.7122.3168.8-20.436.3000110.1F279 A288 F299 Y319 C325 L332F279-P330 HydrophobicContact CD1-CB 4.28Å; F279-P330 HydrophobicContact CE1-CB 3.91Å; F279-P330 HydrophobicContact CE1-CG 4.34Å; F279-P330 HydrophobicContact CE2-CB 4.38Å; F279-P330 HydrophobicContact CZ-CB 3.97Å; F279-P330 HydrophobicContact CZ-CG 4.37Å; A288-P330 HydrophobicContact CB-CG 4.16Å; F299-P330 HydrophobicContact CD1-CG 4.37Å; F299-P330 HydrophobicContact CD2-CG 3.66Å; F299-P330 HydrophobicContact CE1-CG 4.42Å; F299-P330 HydrophobicContact CE2-CB 4.18Å; F299-P330 HydrophobicContact CE2-CG 3.71Å; F299-P330 HydrophobicContact CG-CG 4Å; F299-P330 HydrophobicContact CZ-CB 4.37Å; F299-P330 HydrophobicContact CZ-CG 4.11Å; Y319-P330 WeakPolarHBondContact CB-O 3.43Å; Y319-P330 WeakPolarHBondContact CD1-O 3.48Å; C325-P330 PolarHBondContact SG-O 3.19Å; C325-P330 VanDerWaalsContact SG-O 3.37Å; P330-L332 HydrophobicContact CB-CD1 4.39Å; P330-L332 HydrophobicContact CB-CD2 3.87Å; P330-L332 HydrophobicContact CB-CG 4.05Å
331L95.3Very high92.7Very high15 Ų1569.2 Ų69.28%0.07938%0.377CS..  trans-91.9109.7171178.462.3000109.4E260 G261 P322 C325 E329E260-L331 HydrophobicContact CG-CD2 4.1Å; G261-L331 WeakPolarHBondContact CA-O 3.31Å; P322-L331 HydrophobicContact CB-CD1 4.01Å; P322-L331 HydrophobicContact CG-CD1 4.09Å; C325-L331 HydrophobicContact CB-CD1 4Å; E329-L331 PolarHBondContact O-N 3.02Å
332L96.6Very high93Very high1 Ų167 Ų671%0.00536%0.364CS..  trans-116.848-169.9-50.6-174.9000112F263 V277 F279 F299 L316 Y319 S320 P330F263-L332 HydrophobicContact CB-CD2 3.71Å; F263-L332 VanDerWaalsContact CD1-C 3.43Å; F263-L332 HydrophobicContact CD1-CB 3.8Å; F263-L332 HydrophobicContact CD1-CD2 4.5Å; F263-L332 WeakPolarHBondContact CD1-O 3.39Å; F263-L332 HydrophobicContact CD2-CB 4.17Å; F263-L332 HydrophobicContact CD2-CD2 4.09Å; F263-L332 VanDerWaalsContact CE1-C 3.44Å; F263-L332 HydrophobicContact CE1-CB 3.93Å; F263-L332 WeakPolarHBondContact CE1-O 3.28Å; F263-L332 HydrophobicContact CE2-CB 4.29Å; F263-L332 HydrophobicContact CG-CB 3.92Å; F263-L332 HydrophobicContact CG-CD2 3.86Å; F263-L332 HydrophobicContact CG-CG 4.43Å; F263-L332 HydrophobicContact CZ-CB 4.17Å; V277-L332 HydrophobicContact CG1-CD1 4.14Å; V277-L332 HydrophobicContact CG1-CD2 3.51Å; F279-L332 HydrophobicContact CB-CD2 3.86Å; F279-L332 HydrophobicContact CD1-CD2 4.35Å; F279-L332 HydrophobicContact CG-CD2 4.12Å; F299-L332 HydrophobicContact CE2-CD1 4.48Å; F299-L332 HydrophobicContact CZ-CD1 4.14Å; L316-L332 HydrophobicContact CD2-CD1 3.59Å; Y319-L332 PolarHBondContact O-N 3.36Å; S320-L332 WeakPolarHBondContact CA-O 3.48Å; S320-L332 WeakPolarHBondContact CB-O 3.44Å; P330-L332 HydrophobicContact CB-CD1 4.39Å; P330-L332 HydrophobicContact CB-CD2 3.87Å; P330-L332 HydrophobicContact CB-CG 4.05Å
333S96.3Very high93.4Very high42 Ų4265.1 Ų65.129%0.29435%0.353SS..  trans-84.4-23.4-171.260.80000114.5G261 S320G261-S333 WeakPolarHBondContact CA-OG 3.48Å; G261-S333 PolarHBondContact O-N 3.35Å; S320-S333 VanDerWaalsContact O-CA 3.26Å; S320-S333 WeakPolarHBondContact O-CA 3.48Å; S320-S333 WeakPolarHBondContact O-CB 3.36Å
334R96.9Very high93.8Very high141 Ų14167.3 Ų67.353%0.53235%0.352SS..EExtended strand (participates in β ladder)trans-126.896-173.4-60.8177.670.484.91.1111.2G261 T262 F263 L336G261-R334 PolarHBondContact O-N 2.93Å; T262-R334 CarbonylContact C-O 3.55Å; T262-R334 VanDerWaalsContact CA-O 3.24Å; T262-R334 WeakPolarHBondContact CA-O 3.37Å; F263-R334 VanDerWaalsContact CD1-C 3.5Å; F263-R334 WeakPolarHBondContact CD1-O 3.5Å; F263-R334 PolarHBondContact N-O 3.26Å; R334-L336 PolarHBondContact O-N 3.42Å
335P97.6Very high94.4Very high71 Ų7168.3 Ų68.346%0.46135%0.351SS..EExtended strand (participates in β ladder)trans-65.9130.4178.525.2-31.8000110.6C241 F263 P337C241-P335 HydrophobicContact CB-CB 3.53Å; F263-P335 VanDerWaalsContact CE1-CA 3.46Å; F263-P335 HydrophobicContact CE1-CB 3.84Å; F263-P335 HydrophobicContact CE1-CG 4.46Å; F263-P335 VanDerWaalsContact CE1-N 3.34Å; F263-P335 HydrophobicContact CZ-CB 3.93Å; P335-P337 VanDerWaalsContact O-CD 3.27Å; P335-P337 WeakPolarHBondContact O-CD 3.41Å
336L98.1Very high94.8Very high27 Ų2768.4 Ų68.414%0.14135%0.35CS..  trans-85.4108.1172.1-174.969.8000109W243 L254 L255 T262 F263 L264 R334W243-L336 HydrophobicContact CZ2-CD2 4.03Å; W243-L336 HydrophobicContact CZ2-CG 4.1Å; W243-L336 PolarHBondContact NE1-O 3.17Å; L254-L336 HydrophobicContact CB-CD2 3.9Å; L255-L336 HydrophobicContact CD2-CD2 4.47Å; T262-L336 HydrophobicContact CG2-CB 4.04Å; T262-L336 HydrophobicContact CG2-CD1 4.31Å; F263-L336 WeakPolarHBondContact O-CB 3.49Å; F263-L336 PolarHBondContact O-N 3.01Å; L264-L336 HydrophobicContact CB-CB 4.42Å; L264-L336 HydrophobicContact CD2-CD2 3.9Å; R334-L336 PolarHBondContact O-N 3.42Å
337P97.6Very high95.2Very high81 Ų8167.3 Ų67.353%0.52634%0.344SS..  trans-70.3135.4-174.829-35000111.3P240 W243 P335P240-P337 HydrophobicContact CB-CB 4.24Å; P240-P337 CarbonylContact O-C 3.52Å; P240-P337 WeakPolarHBondContact O-CA 3.43Å; W243-P337 VanDerWaalsContact CZ2-O 3.32Å; W243-P337 WeakPolarHBondContact CZ2-O 3.36Å; P335-P337 VanDerWaalsContact O-CD 3.27Å; P335-P337 WeakPolarHBondContact O-CD 3.41Å
338R96.4Very high95.8Very high49 Ų4962.9 Ų62.919%0.18533%0.331CS..  trans-62142.8171.8-172.1179.568.8136.1-9.4110.8P240 Y242 W243 F340 P341 F342P240-R338 WeakPolarHBondContact O-CB 3.48Å; P240-R338 PolarHBondContact O-N 3.29Å; Y242-R338 WeakPolarHBondContact O-CD 3.16Å; W243-R338 HydrophobicContact CD2-CB 4.3Å; W243-R338 HydrophobicContact CD2-CG 4.22Å; W243-R338 HydrophobicContact CE3-CG 4.3Å; R338-F340 HydrophobicContact CG-CD1 3.5Å; R338-F340 VanDerWaalsContact CG-CD1 3.5Å; R338-F340 HydrophobicContact CG-CD2 4.37Å; R338-F340 HydrophobicContact CG-CE1 3.4Å; R338-F340 HydrophobicContact CG-CE2 4.29Å; R338-F340 HydrophobicContact CG-CG 4.01Å; R338-F340 HydrophobicContact CG-CZ 3.82Å; R338-F340 PolarHBondContact NE-O 3.28Å; R338-F340 PolarHBondContact NH1-O 3.45Å; R338-F340 PolarHBondContact NH2-O 2.83Å; R338-P341 PolarHBondContact NH1-O 3.18Å; R338-F342 VanDerWaalsContact CZ-CD2 3.45Å; R338-F342 VanDerWaalsContact CZ-CE2 3.41Å
339N96.5Very high96.4Very high94 Ų9457.4 Ų57.450%0.50331%0.306SS..SBendtrans-108.821.9-17665.77000114.6R26R26-N339 PolarHBondContact NH1-ND2 2.84Å
340F95.6Very high96.7Very high91 Ų9156.5 Ų56.540%0.39930%0.302SS..SBendtrans-147.4157.6178.359.9-86.1000110.1W243 R338 F342W243-F340 AromaticContact CE3-CE1 3.74Å; W243-F340 HydrophobicContact CE3-CE1 3.74Å; W243-F340 AromaticContact CZ3-CE1 3.99Å; W243-F340 HydrophobicContact CZ3-CE1 3.99Å; R338-F340 HydrophobicContact CG-CD1 3.5Å; R338-F340 VanDerWaalsContact CG-CD1 3.5Å; R338-F340 HydrophobicContact CG-CD2 4.37Å; R338-F340 HydrophobicContact CG-CE1 3.4Å; R338-F340 HydrophobicContact CG-CE2 4.29Å; R338-F340 HydrophobicContact CG-CG 4.01Å; R338-F340 HydrophobicContact CG-CZ 3.82Å; R338-F340 PolarHBondContact NE-O 3.28Å; R338-F340 PolarHBondContact NH1-O 3.45Å; R338-F340 PolarHBondContact NH2-O 2.83Å; F340-F342 HydrophobicContact CE2-CD1 4.41Å; F340-F342 HydrophobicContact CE2-CE1 4.25Å
341P96.2Very high97Very high112 Ų11260.5 Ų60.573%0.72732%0.323SS*.PPolyproline II helixtrans-85156.7169.333.7-34000111.8R338R338-P341 PolarHBondContact NH1-O 3.18Å
342F97.3Very high97.1Very high27 Ų2762.9 Ų62.912%0.11834%0.335CS..PPolyproline II helixtrans-79.2161.7171.8-73.2-56.9000110.3Y242 R338 F340 H346 L347Y242-F342 AromaticContact CD1-CE2 3.69Å; Y242-F342 HydrophobicContact CD1-CE2 3.69Å; Y242-F342 AromaticContact CD1-CZ 3.54Å; Y242-F342 HydrophobicContact CD1-CZ 3.54Å; Y242-F342 AromaticContact CE1-CE2 4Å; Y242-F342 HydrophobicContact CE1-CE2 4Å; Y242-F342 AromaticContact CE1-CZ 3.68Å; Y242-F342 HydrophobicContact CE1-CZ 3.68Å; Y242-F342 HydrophobicContact CG-CZ 4.46Å; R338-F342 VanDerWaalsContact CZ-CD2 3.45Å; R338-F342 VanDerWaalsContact CZ-CE2 3.41Å; F340-F342 HydrophobicContact CE2-CD1 4.41Å; F340-F342 HydrophobicContact CE2-CE1 4.25Å; F342-H346 HydrophobicContact CB-CB 4.24Å; F342-H346 AromaticContact CG-CD2 3.98Å; F342-L347 HydrophobicContact CB-CD2 3.98Å; F342-L347 HydrophobicContact CB-CG 4.12Å; F342-L347 HydrophobicContact CD2-CD2 4.31Å
343S97.4Very high97.1Very high43 Ų4363.2 Ų63.230%0.30134%0.337SS..PPolyproline II helixtrans-63.4149.5171.9680000110.6Q345 H346 L347S343-Q345 PolarHBondContact O-N 3.16Å; S343-H346 WeakPolarHBondContact O-CB 3.49Å; S343-H346 PolarHBondContact O-N 2.76Å; S343-H346 PolarHBondContact OG-N 3.49Å; S343-L347 PolarHBondContact O-N 2.89Å; S343-L347 VanDerWaalsContact O-N 3.11Å
344L98Very high97.1Very high135 Ų13564 Ų6471%0.70734%0.342SS*.Hα-helixtrans-56.5-39178.3-178.861.5000111.3H346 L347 C348L344-H346 VanDerWaalsContact C-N 3.33Å; L344-H346 PolarHBondContact O-N 2.63Å; L344-L347 PolarHBondContact O-N 3.47Å; L344-C348 WeakPolarHBondContact O-CB 3.39Å; L344-C348 PolarHBondContact O-N 3.4Å; L344-C348 PolarHBondContact O-SG 3.05Å
345Q97.1Very high97Very high101 Ų10162.7 Ų62.747%0.47235%0.354SS..Hα-helixtrans-58.7-43176.9-171.6-1775.100112.3S343 C348 R349 Y373S343-Q345 PolarHBondContact O-N 3.16Å; Q345-C348 PolarHBondContact O-N 3.23Å; Q345-R349 PolarHBondContact O-N 3.39Å; Q345-Y373 HydrophobicContact CG-CD1 4.38Å; Q345-Y373 HydrophobicContact CG-CE1 3.66Å
346H97.2Very high96.9Very high17 Ų1761.1 Ų61.18%0.07934%0.343CS..Hα-helixtrans-66-42.9177.7-172.4107.4000111.7N237 F342 S343 L344 R349 A350 Y373N237-H346 PolarHBondContact OD1-CD2 3.34Å; N237-H346 PolarHBondContact OD1-NE2 2.9Å; F342-H346 HydrophobicContact CB-CB 4.24Å; F342-H346 AromaticContact CG-CD2 3.98Å; S343-H346 WeakPolarHBondContact O-CB 3.49Å; S343-H346 PolarHBondContact O-N 2.76Å; S343-H346 PolarHBondContact OG-N 3.49Å; L344-H346 VanDerWaalsContact C-N 3.33Å; L344-H346 PolarHBondContact O-N 2.63Å; H346-R349 PolarHBondContact CE1-NH2 2.93Å; H346-R349 PolarHBondContact ND1-NH2 3.28Å; H346-R349 WeakPolarHBondContact O-CB 3.46Å; H346-R349 PolarHBondContact O-N 3.31Å; H346-A350 PolarHBondContact O-N 3.36Å; H346-Y373 WeakPolarHBondContact CA-OH 3.26Å; H346-Y373 PolarHBondContact N-OH 3.36Å
347L97.2Very high96.8Very high66 Ų6664.1 Ų64.135%0.34636%0.362SS..Hα-helixtrans-63.4-43.7177.5-63.6175.6000111.5F342 S343 L344 R349 A350 L351F342-L347 HydrophobicContact CB-CD2 3.98Å; F342-L347 HydrophobicContact CB-CG 4.12Å; F342-L347 HydrophobicContact CD2-CD2 4.31Å; S343-L347 PolarHBondContact O-N 2.89Å; S343-L347 VanDerWaalsContact O-N 3.11Å; L344-L347 PolarHBondContact O-N 3.47Å; L347-R349 VanDerWaalsContact C-N 3.33Å; L347-R349 PolarHBondContact O-N 2.98Å; L347-A350 PolarHBondContact O-N 2.9Å; L347-L351 PolarHBondContact O-N 3.37Å; L347-L351 VanDerWaalsContact O-N 3.17Å
348C97.6Very high96.6Very high54 Ų5462 Ų6237%0.36534%0.344SS..Hα-helixtrans-60.7-41.4174.2-69.60000111.8L344 Q345 A350 L351 I352L344-C348 WeakPolarHBondContact O-CB 3.39Å; L344-C348 PolarHBondContact O-N 3.4Å; L344-C348 PolarHBondContact O-SG 3.05Å; Q345-C348 PolarHBondContact O-N 3.23Å; C348-A350 PolarHBondContact O-N 2.88Å; C348-L351 PolarHBondContact O-N 3.21Å; C348-I352 WeakPolarHBondContact O-CB 3.42Å; C348-I352 VanDerWaalsContact O-CG1 3.26Å; C348-I352 WeakPolarHBondContact O-CG1 3.42Å; C348-I352 PolarHBondContact O-N 3.18Å
349R97.6Very high96.5Very high8 Ų864.8 Ų64.83%0.0336%0.359CS..Hα-helixtrans-58.4-48.9174.8168.1174.366-179.7-0.6111.8Q345 H346 L347 L351 I352 C353 Y373 L374Q345-R349 PolarHBondContact O-N 3.39Å; H346-R349 PolarHBondContact CE1-NH2 2.93Å; H346-R349 PolarHBondContact ND1-NH2 3.28Å; H346-R349 WeakPolarHBondContact O-CB 3.46Å; H346-R349 PolarHBondContact O-N 3.31Å; L347-R349 VanDerWaalsContact C-N 3.33Å; L347-R349 PolarHBondContact O-N 2.98Å; R349-L351 VanDerWaalsContact C-N 3.26Å; R349-L351 PolarHBondContact O-N 3.03Å; R349-I352 PolarHBondContact O-N 3.13Å; R349-C353 VanDerWaalsContact O-CB 3.27Å; R349-C353 WeakPolarHBondContact O-CB 3.19Å; R349-C353 PolarHBondContact O-N 3.1Å; R349-C353 PolarHBondContact O-SG 3.09Å; R349-Y373 HydrophobicContact CB-CD1 4.33Å; R349-Y373 HydrophobicContact CB-CE1 3.69Å; R349-Y373 VanDerWaalsContact CD-O 3.25Å; R349-Y373 WeakPolarHBondContact CD-O 3.39Å; R349-Y373 HydrophobicContact CG-CE1 4.23Å; R349-Y373 VanDerWaalsContact CZ-CZ 3.48Å; R349-Y373 PolarHBondContact NH1-O 3.08Å; R349-L374 HydrophobicContact CB-CD2 3.83Å; R349-L374 HydrophobicContact CG-CD2 3.78Å
350A96.9Very high96.4Very high1 Ų161 Ų611%0.00834%0.343CS..Hα-helixtrans-58.2-41.4-178.900000111.8L234 N237 H346 L347 C348 S354L234-A350 HydrophobicContact CD1-CB 4.24Å; N237-A350 HydrophobicContact CB-CB 4.03Å; H346-A350 PolarHBondContact O-N 3.36Å; L347-A350 PolarHBondContact O-N 2.9Å; C348-A350 PolarHBondContact O-N 2.88Å; A350-S354 PolarHBondContact O-N 2.97Å
351L97.4Very high96.4Very high95 Ų9556.7 Ų56.750%0.49732%0.324SS..Hα-helixtrans-66.3-50.9175.2-72.7170.1000112.4L234 L347 C348 R349 C353 S354 C355L234-L351 HydrophobicContact CD1-CD2 3.62Å; L234-L351 HydrophobicContact CD1-CG 4.07Å; L234-L351 HydrophobicContact CD2-CD2 3.93Å; L234-L351 HydrophobicContact CG-CD2 4.45Å; L347-L351 PolarHBondContact O-N 3.37Å; L347-L351 VanDerWaalsContact O-N 3.17Å; C348-L351 PolarHBondContact O-N 3.21Å; R349-L351 VanDerWaalsContact C-N 3.26Å; R349-L351 PolarHBondContact O-N 3.03Å; L351-C353 VanDerWaalsContact C-N 3.33Å; L351-C353 PolarHBondContact O-N 3.15Å; L351-S354 WeakPolarHBondContact O-CB 3.21Å; L351-S354 PolarHBondContact O-N 2.83Å; L351-S354 PolarHBondContact O-OG 3.04Å; L351-C355 PolarHBondContact O-N 2.8Å; L351-C355 PolarHBondContact O-SG 3.18Å
352I97.1Very high96.3Very high65 Ų6556 Ų5633%0.33331%0.311SS..Hα-helixtrans-59.5-46.6-179.5-67.5164.4000110.4C348 R349 S354 C355 T356 L364 L374C348-I352 WeakPolarHBondContact O-CB 3.42Å; C348-I352 VanDerWaalsContact O-CG1 3.26Å; C348-I352 WeakPolarHBondContact O-CG1 3.42Å; C348-I352 PolarHBondContact O-N 3.18Å; R349-I352 PolarHBondContact O-N 3.13Å; I352-S354 PolarHBondContact O-N 2.87Å; I352-C355 PolarHBondContact O-N 3.23Å; I352-T356 HydrophobicContact CG2-CG2 4.36Å; I352-T356 WeakPolarHBondContact O-CG2 3.4Å; I352-T356 PolarHBondContact O-N 3.26Å; I352-L364 HydrophobicContact CG2-CD1 4.04Å; I352-L374 HydrophobicContact CB-CD2 4.24Å; I352-L374 HydrophobicContact CD1-CD2 4.35Å; I352-L374 HydrophobicContact CG2-CD1 3.89Å; I352-L374 HydrophobicContact CG2-CD2 4.18Å
353C96.6Very high96.1Very high8 Ų860.3 Ų60.35%0.05434%0.339CS..Hα-helixtrans-62.6-23.5178-69.30000113.2L229 L233 R349 L351 C355 L374L229-C353 HydrophobicContact CD1-CB 4.28Å; L233-C353 HydrophobicContact CD2-CB 4.03Å; R349-C353 VanDerWaalsContact O-CB 3.27Å; R349-C353 WeakPolarHBondContact O-CB 3.19Å; R349-C353 PolarHBondContact O-N 3.1Å; R349-C353 PolarHBondContact O-SG 3.09Å; L351-C353 VanDerWaalsContact C-N 3.33Å; L351-C353 PolarHBondContact O-N 3.15Å; C353-C355 VanDerWaalsContact C-N 3.29Å; C353-L374 PolarHBondContact SG-O 3.31Å; C353-L374 VanDerWaalsContact SG-O 3.36Å
354S96Very high96.1Very high58 Ų5860.5 Ų60.541%0.40634%0.337SS..Hα-helixtrans-76.5-15.8173.875.60000113.7A350 L351 I352A350-S354 PolarHBondContact O-N 2.97Å; L351-S354 WeakPolarHBondContact O-CB 3.21Å; L351-S354 PolarHBondContact O-N 2.83Å; L351-S354 PolarHBondContact O-OG 3.04Å; I352-S354 PolarHBondContact O-N 2.87Å
355C95.6Very high96Very high114 Ų11460.3 Ų60.377%0.7734%0.344SS*.SBendtrans-1112.8-176.9-55.70000113.3L351 I352 C353L351-C355 PolarHBondContact O-N 2.8Å; L351-C355 PolarHBondContact O-SG 3.18Å; I352-C355 PolarHBondContact O-N 3.23Å; C353-C355 VanDerWaalsContact C-N 3.29Å
356T95.4Very high95.9Very high37 Ų3758.2 Ų58.223%0.22734%0.336CS..SBendtrans-141.7171.1-177.3-164.80000111.4L229 I352 I361L229-T356 HydrophobicContact CD1-CG2 4.38Å; I352-T356 HydrophobicContact CG2-CG2 4.36Å; I352-T356 WeakPolarHBondContact O-CG2 3.4Å; I352-T356 PolarHBondContact O-N 3.26Å; T356-I361 HydrophobicContact CG2-CG1 3.82Å
357T95.2Very high95.9Very high91 Ų9161 Ų6156%0.55836%0.355SS*.  trans-107.9169.5174.666.40000110.6Q359 G360 I361T357-Q359 PolarHBondContact O-N 3.38Å; T357-G360 PolarHBondContact O-N 3.05Å; T357-G360 VanDerWaalsContact O-N 3.09Å; T357-G360 PolarHBondContact OG1-N 2.93Å; T357-G360 VanDerWaalsContact OG1-N 3.08Å; T357-I361 PolarHBondContact O-N 3.36Å; T357-I361 VanDerWaalsContact O-N 3.1Å
358Y94.6Very high95.8Very high35 Ų3564.3 Ų64.314%0.13737%0.369CS..THydrogen-bonded Turntrans-56.6-40.7178.6-170.8-87.1000112.7Y227 L229 R375 H378Y227-Y358 HydrophobicContact CD2-CE1 4.18Å; Y227-Y358 HydrophobicContact CG-CE1 4.23Å; Y227-Y358 WeakPolarHBondContact O-CB 3.27Å; L229-Y358 HydrophobicContact CD2-CD2 3.89Å; L229-Y358 HydrophobicContact CG-CD2 4.34Å; Y358-R375 HydrophobicContact CD2-CG 4.19Å; Y358-R375 HydrophobicContact CE2-CB 3.81Å; Y358-R375 HydrophobicContact CE2-CG 3.71Å; Y358-R375 PolarHBondContact O-NH2 3.4Å; Y358-H378 HydrophobicContact CD2-CB 3.6Å; Y358-H378 HydrophobicContact CE2-CB 3.5Å; Y358-H378 AromaticContact CE2-CG 3.47Å; Y358-H378 VanDerWaalsContact CE2-CG 3.47Å; Y358-H378 AromaticContact CE2-ND1 3.73Å
359Q93.8Very high95.8Very high108 Ų10865.8 Ų65.851%0.50538%0.38SS..THydrogen-bonded Turntrans-74.8-37.3175.8-58.1-57.6-16.400111.5T357 I361 E362T357-Q359 PolarHBondContact O-N 3.38Å; Q359-I361 PolarHBondContact O-N 3.37Å; Q359-I361 VanDerWaalsContact O-N 3.13Å; Q359-E362 PolarHBondContact O-N 2.85Å
360G94Very high95.7Very high15 Ų1568.5 Ų68.516%0.15539%0.394CS..THydrogen-bonded Turntrans-61.6-18.7175.200000114.4T357 E362 T363T357-G360 PolarHBondContact O-N 3.05Å; T357-G360 VanDerWaalsContact O-N 3.09Å; T357-G360 PolarHBondContact OG1-N 2.93Å; T357-G360 VanDerWaalsContact OG1-N 3.08Å; G360-E362 PolarHBondContact O-N 3.46Å; G360-T363 PolarHBondContact O-N 3.49Å; G360-T363 PolarHBondContact O-OG1 3.45Å
361I95.9Very high95.7Very high0 Ų070.4 Ų70.40%040%0.401CS..THydrogen-bonded Turntrans-64.2-29173-68.7167.9000111.6L229 T356 T357 Q359 T363 L364 R371 L374 R375L229-I361 HydrophobicContact CD1-CD1 3.83Å; L229-I361 HydrophobicContact CD2-CD1 3.96Å; L229-I361 HydrophobicContact CG-CD1 4.41Å; T356-I361 HydrophobicContact CG2-CG1 3.82Å; T357-I361 PolarHBondContact O-N 3.36Å; T357-I361 VanDerWaalsContact O-N 3.1Å; Q359-I361 PolarHBondContact O-N 3.37Å; Q359-I361 VanDerWaalsContact O-N 3.13Å; I361-T363 VanDerWaalsContact C-N 3.29Å; I361-T363 PolarHBondContact O-N 3.02Å; I361-L364 PolarHBondContact O-N 3.33Å; I361-R371 HydrophobicContact CG2-CB 3.76Å; I361-R371 HydrophobicContact CG2-CG 3.95Å; I361-R371 WeakPolarHBondContact O-CD 3.37Å; I361-L374 HydrophobicContact CD1-CB 3.82Å; I361-L374 HydrophobicContact CG1-CB 4.31Å; I361-L374 HydrophobicContact CG2-CB 4.18Å; I361-L374 HydrophobicContact CG2-CD1 4.28Å; I361-R375 HydrophobicContact CB-CG 4.47Å; I361-R375 HydrophobicContact CD1-CG 3.72Å; I361-R375 HydrophobicContact CG2-CG 4.16Å
362E93.7Very high95.7Very high97 Ų9770.1 Ų70.145%0.45340%0.4SS..THydrogen-bonded Turntrans-67.6-32-177.8-60.1-159.7156.400113.2Q359 G360 L364 R371 R375Q359-E362 PolarHBondContact O-N 2.85Å; G360-E362 PolarHBondContact O-N 3.46Å; E362-L364 VanDerWaalsContact C-N 3.3Å; E362-R371 PolarHBondContact O-NH1 3.44Å; E362-R375 IonicContact OE1-CZ 3.86Å; E362-R375 IonicContact OE1-NH1 3.26Å; E362-R375 PolarHBondContact OE1-NH1 2.79Å; E362-R375 VanDerWaalsContact OE1-NH1 3.13Å; E362-R375 IonicContact OE1-NH2 3.31Å; E362-R375 PolarHBondContact OE1-NH2 3.45Å
363T94.8Very high95.6Very high118 Ų11868.9 Ų68.972%0.72439%0.391SS*.THydrogen-bonded Turntrans-81.3-11.7-176.865.10000112.6G360 I361G360-T363 PolarHBondContact O-N 3.49Å; G360-T363 PolarHBondContact O-OG1 3.45Å; I361-T363 VanDerWaalsContact C-N 3.29Å; I361-T363 PolarHBondContact O-N 3.02Å
364L95.4Very high95.7Very high47 Ų4768.9 Ų68.925%0.24639%0.391CS..SBendtrans-66.8138178-63.4178.1000110.6I352 I361 E362 L366 L374I352-L364 HydrophobicContact CG2-CD1 4.04Å; I361-L364 PolarHBondContact O-N 3.33Å; E362-L364 VanDerWaalsContact C-N 3.3Å; L364-L366 HydrophobicContact CB-CD1 4.03Å; L364-L366 HydrophobicContact CB-CG 4.1Å; L364-L366 HydrophobicContact CD1-CD1 4.04Å; L364-L366 PolarHBondContact O-N 3.32Å; L364-L374 HydrophobicContact CD1-CD1 3.84Å
365P96.5Very high95.6Very high131 Ų13167.7 Ų67.785%0.85138%0.378SS*.SBendtrans-76.659.5178.533.4-36.8000111.1
366L95.8Very high95.6Very high58 Ų5866.9 Ų66.930%0.30436%0.362SS..SBendtrans-123.6146.2-176-64.9176.3000111.2L364 L370 R371 L374L364-L366 HydrophobicContact CB-CD1 4.03Å; L364-L366 HydrophobicContact CB-CG 4.1Å; L364-L366 HydrophobicContact CD1-CD1 4.04Å; L364-L366 PolarHBondContact O-N 3.32Å; L366-L370 HydrophobicContact CB-CB 4.34Å; L366-L370 HydrophobicContact CD2-CD1 4.44Å; L366-R371 HydrophobicContact CB-CG 4.04Å; L366-R371 PolarHBondContact O-NE 3Å; L366-R371 VanDerWaalsContact O-NE 3.16Å; L366-L374 HydrophobicContact CD1-CD1 3.78Å
367P97.3Very high95.5Very high75 Ų7565.5 Ų65.549%0.48735%0.353SS..  trans-51.6149.7167.9-25.533.1000112.5S369 L370 R371P367-S369 VanDerWaalsContact C-N 3.29Å; P367-S369 PolarHBondContact O-N 3.49Å; P367-L370 PolarHBondContact O-N 2.89Å; P367-R371 PolarHBondContact O-N 3.05Å; P367-R371 VanDerWaalsContact O-N 3.14Å
368H95.1Very high95.5Very high136 Ų13663.3 Ų63.363%0.6334%0.337SS*.Hα-helixtrans-56.6-42.1-175.9-69.559.7000112.2L370 R371 D372H368-L370 VanDerWaalsContact C-N 3.27Å; H368-L370 PolarHBondContact O-N 3.13Å; H368-R371 PolarHBondContact CD2-NH2 2.84Å; H368-R371 PolarHBondContact CE1-NH2 3.47Å; H368-R371 VanDerWaalsContact CG-NH2 3.26Å; H368-R371 PolarHBondContact ND1-NH2 3.37Å; H368-R371 PolarHBondContact NE2-NH2 2.9Å; H368-R371 WeakPolarHBondContact O-CB 3.44Å; H368-R371 PolarHBondContact O-N 2.78Å; H368-D372 PolarHBondContact O-N 3.27Å
369S96.8Very high95.3Very high85 Ų8562.4 Ų62.459%0.59433%0.333SS*.Hα-helixtrans-59.5-33.9177.353.70000113.9P367 Y373P367-S369 VanDerWaalsContact C-N 3.29Å; P367-S369 PolarHBondContact O-N 3.49Å; S369-Y373 WeakPolarHBondContact O-CB 3.38Å; S369-Y373 PolarHBondContact O-N 3.13Å; S369-Y373 VanDerWaalsContact O-N 3.1Å
370L96.6Very high95.1Very high65 Ų6561.6 Ų61.634%0.3433%0.328SS..Hα-helixtrans-76.8-35175.3-71.2-176.2000111.6L366 P367 H368 D372 Y373 L374L366-L370 HydrophobicContact CB-CB 4.34Å; L366-L370 HydrophobicContact CD2-CD1 4.44Å; P367-L370 PolarHBondContact O-N 2.89Å; H368-L370 VanDerWaalsContact C-N 3.27Å; H368-L370 PolarHBondContact O-N 3.13Å; L370-D372 VanDerWaalsContact C-N 3.34Å; L370-Y373 WeakPolarHBondContact O-CB 3.48Å; L370-Y373 PolarHBondContact O-N 2.97Å; L370-L374 WeakPolarHBondContact O-CG 3.39Å; L370-L374 PolarHBondContact O-N 3.38Å
371R96.6Very high94.5Very high41 Ų4161.7 Ų61.716%0.15533%0.326CS..Hα-helixtrans-62.7-42.8172.9-68.8-171.2-77.41579.4111I361 E362 L366 P367 H368 Y373 L374 R375I361-R371 HydrophobicContact CG2-CB 3.76Å; I361-R371 HydrophobicContact CG2-CG 3.95Å; I361-R371 WeakPolarHBondContact O-CD 3.37Å; E362-R371 PolarHBondContact O-NH1 3.44Å; L366-R371 HydrophobicContact CB-CG 4.04Å; L366-R371 PolarHBondContact O-NE 3Å; L366-R371 VanDerWaalsContact O-NE 3.16Å; P367-R371 PolarHBondContact O-N 3.05Å; P367-R371 VanDerWaalsContact O-N 3.14Å; H368-R371 PolarHBondContact CD2-NH2 2.84Å; H368-R371 PolarHBondContact CE1-NH2 3.47Å; H368-R371 VanDerWaalsContact CG-NH2 3.26Å; H368-R371 PolarHBondContact ND1-NH2 3.37Å; H368-R371 PolarHBondContact NE2-NH2 2.9Å; H368-R371 WeakPolarHBondContact O-CB 3.44Å; H368-R371 PolarHBondContact O-N 2.78Å; R371-Y373 VanDerWaalsContact C-N 3.32Å; R371-Y373 PolarHBondContact O-N 3.02Å; R371-L374 PolarHBondContact O-N 3.18Å; R371-R375 WeakPolarHBondContact O-CG 3.34Å; R371-R375 PolarHBondContact O-N 3.46Å
372D96.1Very high93.4Very high89 Ų8966.4 Ų66.448%0.47635%0.351SS..Hα-helixtrans-62.3-39.7173.9-64.4-24.6000111.8H368 L370 L374 R375 Q376H368-D372 PolarHBondContact O-N 3.27Å; L370-D372 VanDerWaalsContact C-N 3.34Å; D372-L374 PolarHBondContact O-N 2.97Å; D372-R375 PolarHBondContact O-N 3.09Å; D372-Q376 PolarHBondContact O-N 3.32Å
373Y96.8Very high91.6Very high38 Ų3864.9 Ų64.915%0.14936%0.362CS..Hα-helixtrans-62.3-41.1175.7178.3-103000113.2Q345 H346 R349 S369 L370 R371 R375 Q376Q345-Y373 HydrophobicContact CG-CD1 4.38Å; Q345-Y373 HydrophobicContact CG-CE1 3.66Å; H346-Y373 WeakPolarHBondContact CA-OH 3.26Å; H346-Y373 PolarHBondContact N-OH 3.36Å; R349-Y373 HydrophobicContact CB-CD1 4.33Å; R349-Y373 HydrophobicContact CB-CE1 3.69Å; R349-Y373 VanDerWaalsContact CD-O 3.25Å; R349-Y373 WeakPolarHBondContact CD-O 3.39Å; R349-Y373 HydrophobicContact CG-CE1 4.23Å; R349-Y373 VanDerWaalsContact CZ-CZ 3.48Å; R349-Y373 PolarHBondContact NH1-O 3.08Å; S369-Y373 WeakPolarHBondContact O-CB 3.38Å; S369-Y373 PolarHBondContact O-N 3.13Å; S369-Y373 VanDerWaalsContact O-N 3.1Å; L370-Y373 WeakPolarHBondContact O-CB 3.48Å; L370-Y373 PolarHBondContact O-N 2.97Å; R371-Y373 VanDerWaalsContact C-N 3.32Å; R371-Y373 PolarHBondContact O-N 3.02Å; Y373-R375 VanDerWaalsContact C-N 3.3Å; Y373-Q376 WeakPolarHBondContact O-CG 3.19Å; Y373-Q376 PolarHBondContact O-N 3.31Å
374L97Very high89.1Confident8 Ų863 Ų634%0.04236%0.358CS..Hα-helixtrans-66.6-33175.5-67.3177.3000111.8R349 I352 C353 I361 L364 L366 L370 R371 D372 Q376R349-L374 HydrophobicContact CB-CD2 3.83Å; R349-L374 HydrophobicContact CG-CD2 3.78Å; I352-L374 HydrophobicContact CB-CD2 4.24Å; I352-L374 HydrophobicContact CD1-CD2 4.35Å; I352-L374 HydrophobicContact CG2-CD1 3.89Å; I352-L374 HydrophobicContact CG2-CD2 4.18Å; C353-L374 PolarHBondContact SG-O 3.31Å; C353-L374 VanDerWaalsContact SG-O 3.36Å; I361-L374 HydrophobicContact CD1-CB 3.82Å; I361-L374 HydrophobicContact CG1-CB 4.31Å; I361-L374 HydrophobicContact CG2-CB 4.18Å; I361-L374 HydrophobicContact CG2-CD1 4.28Å; L364-L374 HydrophobicContact CD1-CD1 3.84Å; L366-L374 HydrophobicContact CD1-CD1 3.78Å; L370-L374 WeakPolarHBondContact O-CG 3.39Å; L370-L374 PolarHBondContact O-N 3.38Å; R371-L374 PolarHBondContact O-N 3.18Å; D372-L374 PolarHBondContact O-N 2.97Å; L374-Q376 VanDerWaalsContact C-N 3.27Å; L374-Q376 PolarHBondContact O-N 3.1Å
375R95.5Very high86.3Confident34 Ų3466.1 Ų66.113%0.12838%0.383CS..THydrogen-bonded Turntrans-74.5-9179.2-74.8170.8166.6-174.8-22.6114.4Y358 I361 E362 R371 D372 Y373 Y377 H378Y358-R375 HydrophobicContact CD2-CG 4.19Å; Y358-R375 HydrophobicContact CE2-CB 3.81Å; Y358-R375 HydrophobicContact CE2-CG 3.71Å; Y358-R375 PolarHBondContact O-NH2 3.4Å; I361-R375 HydrophobicContact CB-CG 4.47Å; I361-R375 HydrophobicContact CD1-CG 3.72Å; I361-R375 HydrophobicContact CG2-CG 4.16Å; E362-R375 IonicContact OE1-CZ 3.86Å; E362-R375 IonicContact OE1-NH1 3.26Å; E362-R375 PolarHBondContact OE1-NH1 2.79Å; E362-R375 VanDerWaalsContact OE1-NH1 3.13Å; E362-R375 IonicContact OE1-NH2 3.31Å; E362-R375 PolarHBondContact OE1-NH2 3.45Å; R371-R375 WeakPolarHBondContact O-CG 3.34Å; R371-R375 PolarHBondContact O-N 3.46Å; D372-R375 PolarHBondContact O-N 3.09Å; Y373-R375 VanDerWaalsContact C-N 3.3Å; R375-Y377 VanDerWaalsContact C-N 3.31Å; R375-Y377 PolarHBondContact O-N 3.15Å; R375-H378 PolarHBondContact O-ND1 3.32Å
376Q93.9Very high83.4Confident96 Ų9667.5 Ų67.545%0.44938%0.383SS..THydrogen-bonded Turntrans-58.9-35.8-171.6-71.9-1800.500114.7D372 Y373 L374 H378D372-Q376 PolarHBondContact O-N 3.32Å; Y373-Q376 WeakPolarHBondContact O-CG 3.19Å; Y373-Q376 PolarHBondContact O-N 3.31Å; L374-Q376 VanDerWaalsContact C-N 3.27Å; L374-Q376 PolarHBondContact O-N 3.1Å; Q376-H378 PolarHBondContact O-N 3.01Å
377Y94.8Very high80.2Confident8 Ų874.8 Ų74.83%0.03143%0.429CS..SBendtrans-9669.8178.7-67.3-72.5000111.2V230 L233 Y242 D267 F275 R375V230-Y377 PolarHBondContact N-O 3.42Å; L233-Y377 HydrophobicContact CD1-CD1 4.24Å; L233-Y377 HydrophobicContact CD1-CD2 3.79Å; L233-Y377 HydrophobicContact CD1-CE2 4.23Å; L233-Y377 HydrophobicContact CD1-CG 3.79Å; L233-Y377 HydrophobicContact CD2-CD2 3.8Å; L233-Y377 HydrophobicContact CD2-CG 4.15Å; L233-Y377 HydrophobicContact CG-CD2 4.45Å; Y242-Y377 PolarHBondContact OH-OH 3.37Å; D267-Y377 PolarHBondContact OD2-OH 2.96Å; F275-Y377 HydrophobicContact CE1-CD1 4.13Å; F275-Y377 AromaticContact CE1-CE1 3.92Å; F275-Y377 HydrophobicContact CE1-CE1 3.92Å; F275-Y377 AromaticContact CZ-CD1 3.88Å; F275-Y377 HydrophobicContact CZ-CD1 3.88Å; F275-Y377 HydrophobicContact CZ-CE1 4.15Å; R375-Y377 VanDerWaalsContact C-N 3.31Å; R375-Y377 PolarHBondContact O-N 3.15Å
378H93.9Very high79.4Confident46 Ų4674.8 Ų74.821%0.21343%0.426CS..EExtended strand (participates in β ladder)trans-123.9153.7173.774.3-87.6000110.8Y227 I228 L229 L274 Y358 R375 Q376Y227-H378 AromaticContact CD1-CD2 3.3Å; Y227-H378 WeakPolarHBondContact CD1-CD2 3.46Å; Y227-H378 AromaticContact CD1-NE2 3.6Å; Y227-H378 AromaticContact CE1-CD2 3.94Å; Y227-H378 AromaticContact CE1-NE2 3.76Å; Y227-H378 AromaticContact CG-CD2 3.97Å; I228-H378 CarbonylContact O-C 3.43Å; I228-H378 WeakPolarHBondContact O-CA 3.33Å; I228-H378 WeakPolarHBondContact O-CB 3.48Å; L229-H378 HydrophobicContact CD2-CB 4.38Å; L274-H378 WeakPolarHBondContact CD1-O 3.38Å; Y358-H378 HydrophobicContact CD2-CB 3.6Å; Y358-H378 HydrophobicContact CE2-CB 3.5Å; Y358-H378 AromaticContact CE2-CG 3.47Å; Y358-H378 VanDerWaalsContact CE2-CG 3.47Å; Y358-H378 AromaticContact CE2-ND1 3.73Å; R375-H378 PolarHBondContact O-ND1 3.32Å; Q376-H378 PolarHBondContact O-N 3.01Å
379F91.4Very high78.6Confident15 Ų1571.5 Ų71.57%0.06642%0.416CS..EExtended strand (participates in β ladder)trans-123.3162.6169.361.6-91.5000109.6Y227 I228 V230 L274 Q292 F297Y227-F379 WeakPolarHBondContact CA-O 3.16Å; I228-F379 HydrophobicContact CB-CD2 4.43Å; I228-F379 HydrophobicContact CB-CE1 4.15Å; I228-F379 HydrophobicContact CB-CE2 3.9Å; I228-F379 HydrophobicContact CB-CZ 3.74Å; I228-F379 HydrophobicContact CD1-CE2 4.23Å; I228-F379 HydrophobicContact CD1-CZ 4.48Å; I228-F379 HydrophobicContact CG1-CE2 4.44Å; I228-F379 HydrophobicContact CG2-CE1 4.16Å; I228-F379 HydrophobicContact CG2-CE2 4.4Å; I228-F379 HydrophobicContact CG2-CZ 3.79Å; I228-F379 PolarHBondContact N-O 3.37Å; I228-F379 WeakPolarHBondContact O-CD1 3.5Å; I228-F379 PolarHBondContact O-N 3.1Å; V230-F379 HydrophobicContact CG2-CD1 4.31Å; L274-F379 HydrophobicContact CD1-CB 4.35Å; Q292-F379 HydrophobicContact CG-CB 4.37Å; Q292-F379 HydrophobicContact CG-CD2 3.49Å; Q292-F379 VanDerWaalsContact CG-CD2 3.49Å; Q292-F379 HydrophobicContact CG-CE2 3.82Å; Q292-F379 HydrophobicContact CG-CG 3.95Å; F297-F379 HydrophobicContact CE1-CD1 4.36Å; F297-F379 HydrophobicContact CE1-CE1 4.46Å; F297-F379 HydrophobicContact CZ-CD1 4.1Å; F297-F379 AromaticContact CZ-CE1 3.79Å; F297-F379 HydrophobicContact CZ-CE1 3.79Å; F297-F379 HydrophobicContact CZ-CZ 4.33Å
380K89Confident77.6Confident92 Ų9270.8 Ų70.840%0.441%0.406SS..EExtended strand (participates in β ladder)trans-95.8120.7-179.8172.7169.8160.5174.20108.9A225 Y227 Q292 D382A225-K380 HydrophobicContact CB-CD 3.54Å; A225-K380 HydrophobicContact CB-CG 3.79Å; Y227-K380 HydrophobicContact CD1-CB 4.22Å; Y227-K380 HydrophobicContact CE1-CB 4.16Å; Q292-K380 PolarHBondContact NE2-O 2.99Å; Q292-K380 VanDerWaalsContact NE2-O 3.09Å; Q292-K380 PolarHBondContact OE1-O 3.33Å; Q292-K380 VanDerWaalsContact OE1-O 3.05Å; K380-D382 VanDerWaalsContact CE-CG 3.43Å; K380-D382 WeakPolarHBondContact CE-OD1 3.4Å; K380-D382 IonicContact NZ-OD1 3.68Å; K380-D382 PolarHBondContact NZ-OD1 3.35Å
381C82.6Confident76.4Confident16 Ų1671.1 Ų71.111%0.10841%0.409CS..EExtended strand (participates in β ladder)trans-94.1103.2169.6-167.10000107.5D226 I228 G383D226-C381 HydrophobicContact CB-CB 4.42Å; D226-C381 PolarHBondContact N-O 2.63Å; D226-C381 WeakPolarHBondContact O-CB 3.24Å; D226-C381 PolarHBondContact O-N 3.17Å; I228-C381 HydrophobicContact CD1-CB 3.51Å; I228-C381 HydrophobicContact CG1-CB 4.06Å; C381-G383 PolarHBondContact O-N 3.19Å
382D72.8Confident75.2Confident99 Ų9973 Ų7353%0.52943%0.425SS..  trans-70123.7165.6-76-45.5000107.7K380 A384K380-D382 VanDerWaalsContact CE-CG 3.43Å; K380-D382 WeakPolarHBondContact CE-OD1 3.4Å; K380-D382 IonicContact NZ-OD1 3.68Å; K380-D382 PolarHBondContact NZ-OD1 3.35Å; D382-A384 PolarHBondContact O-N 3.24Å
383G54.1Low73.8Confident65 Ų6571.9 Ų71.967%0.6742%0.422SS*.  trans-68.443.6-176.700000114.5C381 C385C381-G383 PolarHBondContact O-N 3.19Å; G383-C385 PolarHBondContact O-N 3.05Å
384A44.1Very low72.1Confident79 Ų7974.4 Ų74.465%0.65344%0.442SS*.  trans-7684163.100000107.7D382 D386D382-A384 PolarHBondContact O-N 3.24Å; A384-D386 VanDerWaalsContact C-N 3.29Å; A384-D386 PolarHBondContact O-N 3.24Å
385C36.2Very low70.2Confident113 Ų11379.5 Ų79.576%0.76447%0.472SS*.  trans-57.9101.5150.9-57.60000106.2G383 V387G383-C385 PolarHBondContact O-N 3.05Å; C385-V387 PolarHBondContact O-N 3.27Å
386D34.6Very low68.1Low160 Ų16083.3 Ų83.386%0.85650%0.501SS*.  trans-64120.6163.6-79.7-33.7000107.3A384A384-D386 VanDerWaalsContact C-N 3.29Å; A384-D386 PolarHBondContact O-N 3.24Å
387V30.2Very low65.8Low210 Ų21082.1 Ų82.1100%1.27351%0.506SS*.  trans-72.20175.9174.50000110.5C385C385-V387 PolarHBondContact O-N 3.27Å

Retrieved 387 of 387 residues in 124.5 ms (Link to these results)