G4VFS3_SCHMA Loading...

Putative early growth response protein AlphaSync

AlphaFold DB , UniProt , Accession G4VFS3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 435 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
1M35Very low32.9Very low237 Ų237153.5 Ų153.5100%1.16779%0.794SS**  0140.50-69.2-178.4179.500107.4
2L30.5Very low33.3Very low170 Ų170156.8 Ų156.889%0.8979%0.789SS**  trans60.7146.9-167.8-59.8163.4000113.4
3R28.7Very low33.3Very low219 Ų219157.7 Ų157.783%0.82679%0.792SS**  trans60.9131-174.3-54.8-178.4-171.5174.55.2115.5
4T35.3Very low33.7Very low108 Ų108154.9 Ų154.966%0.66378%0.779SS**  cis-159121-33.7-3.80000106.7N6T4-N6 PolarHBondContact O-N 2.88Å
5L33.6Very low33.7Very low172 Ų172151.7 Ų151.790%0.90177%0.774SS**  trans-79.857.9-178.8-68.3169.6000112.1S7L5-S7 VanDerWaalsContact C-N 3.27Å; L5-S7 PolarHBondContact O-N 2.83Å
6N32.5Very low34.4Very low153 Ų153151.2 Ų151.282%0.81878%0.781SS**  trans-92.449.8172.6-82.5-4.3000110.8T4T4-N6 PolarHBondContact O-N 2.88Å
7S31.2Very low34.4Very low86 Ų86144.8 Ų144.860%0.60176%0.761SS**  trans-150.860.1-173.361.60000111L5L5-S7 VanDerWaalsContact C-N 3.27Å; L5-S7 PolarHBondContact O-N 2.83Å
8N31.7Very low34.5Very low140 Ų140145.2 Ų145.275%0.74976%0.763SS**  trans-170.850168-97.4-21000111.1I10N8-I10 HydrophobicContact CB-CG1 4.42Å; N8-I10 PolarHBondContact O-N 2.89Å
9L37.9Very low35Very low181 Ų181142.1 Ų142.195%0.94875%0.747SS**  trans-80.370.5158.1-165.591.9000107.5D11L9-D11 PolarHBondContact O-N 3.45Å
10I37.4Very low35.4Very low98 Ų98145.1 Ų145.150%0.50375%0.753SS.*  trans-64.4132.1178.8-64.1175.4000107.9N8 W12N8-I10 HydrophobicContact CB-CG1 4.42Å; N8-I10 PolarHBondContact O-N 2.89Å; I10-W12 VanDerWaalsContact O-CD1 3.31Å; I10-W12 PolarHBondContact O-N 2.91Å
11D28.6Very low35.8Very low125 Ų125141.4 Ų141.467%0.66874%0.744SS**  trans-64.5117.9175.5-173.44.1000110L9 M13L9-D11 PolarHBondContact O-N 3.45Å; D11-M13 WeakPolarHBondContact OD1-CB 3.39Å; D11-M13 PolarHBondContact OD1-N 3.07Å
12W36.8Very low36.2Very low193 Ų193133.6 Ų133.673%0.73172%0.717SS**  trans-122.134.1173.6-74.698.5000110.9I10 L14I10-W12 VanDerWaalsContact O-CD1 3.31Å; I10-W12 PolarHBondContact O-N 2.91Å; W12-L14 HydrophobicContact CE3-CD1 3.91Å; W12-L14 HydrophobicContact CE3-CG 4.11Å; W12-L14 HydrophobicContact CZ3-CD1 4.18Å; W12-L14 PolarHBondContact O-N 2.79Å
13M33.2Very low36.7Very low168 Ų168132.5 Ų132.583%0.82871%0.705SS**  trans-67.866.4156.5-74-162.961.100110.7D11D11-M13 WeakPolarHBondContact OD1-CB 3.39Å; D11-M13 PolarHBondContact OD1-N 3.07Å
14L39.9Very low37.3Very low118 Ų118128.2 Ų128.262%0.61870%0.699SS**  trans-58.7129.4162.6-78.4168.6000108.4W12W12-L14 HydrophobicContact CE3-CD1 3.91Å; W12-L14 HydrophobicContact CE3-CG 4.11Å; W12-L14 HydrophobicContact CZ3-CD1 4.18Å; W12-L14 PolarHBondContact O-N 2.79Å
15P34Very low37.7Very low107 Ų107129.9 Ų129.970%0.69570%0.704SS**  trans-54.7141.5178.5-2734.9000111.7G17P15-G17 PolarHBondContact O-N 3.23Å
16T44Very low38Very low144 Ų144126.6 Ų126.688%0.88369%0.686SS**SBendtrans-7628.2-176.843.90000114.4
17G34.7Very low38.3Very low43 Ų43124.8 Ų124.844%0.44368%0.682SS.*SBendtrans-84.1151.4165.500000111.8P15 I19P15-G17 PolarHBondContact O-N 3.23Å; G17-I19 PolarHBondContact O-N 2.88Å
18D36Very low39Very low151 Ų151127 Ų12781%0.80769%0.692SS**SBendtrans56.31160.5-55-21.9000120.5K20 A21D18-K20 PolarHBondContact O-N 3.05Å; D18-A21 PolarHBondContact O-N 3.36Å
19I44.4Very low39Very low87 Ų87123.3 Ų123.345%0.44669%0.688SS.*G310 helixtrans-54.7-20171.5-64174.4000112.3G17 A21 A22 F23G17-I19 PolarHBondContact O-N 2.88Å; I19-A21 PolarHBondContact O-N 3.13Å; I19-A21 VanDerWaalsContact O-N 3.13Å; I19-A22 PolarHBondContact O-N 3.17Å; I19-F23 HydrophobicContact CG2-CD2 4.08Å; I19-F23 HydrophobicContact CG2-CE2 3.71Å
20K42Very low38.9Very low202 Ų202123.7 Ų123.788%0.87869%0.685SS**G310 helixtrans-61-16.8176.3-147.6173-172.6177.90114.3D18D18-K20 PolarHBondContact O-N 3.05Å
21A43.7Very low39.3Very low68 Ų68123.7 Ų123.756%0.56269%0.689SS**G310 helixtrans-87.3-28.3171.900000113.5D18 I19 F23D18-A21 PolarHBondContact O-N 3.36Å; I19-A21 PolarHBondContact O-N 3.13Å; I19-A21 VanDerWaalsContact O-N 3.13Å; A21-F23 VanDerWaalsContact C-N 3.28Å; A21-F23 PolarHBondContact O-N 3.02Å; A21-F23 VanDerWaalsContact O-N 3.17Å
22A43.4Very low39.9Very low72 Ų72123.7 Ų123.760%0.59570%0.696SS**THydrogen-bonded Turntrans-80.35-164.700000115.9I19I19-A22 PolarHBondContact O-N 3.17Å
23F40.9Very low39.9Very low147 Ų147119.2 Ų119.265%0.64569%0.69SS**THydrogen-bonded Turntrans-114.31.1-173.1-85.7-79.1000115.2I19 A21 I26I19-F23 HydrophobicContact CG2-CD2 4.08Å; I19-F23 HydrophobicContact CG2-CE2 3.71Å; A21-F23 VanDerWaalsContact C-N 3.28Å; A21-F23 PolarHBondContact O-N 3.02Å; A21-F23 VanDerWaalsContact O-N 3.17Å; F23-I26 HydrophobicContact CD1-CD1 4.31Å
24N43.2Very low40Very low130 Ų130122 Ų12270%0.69569%0.693SS**SBendtrans-83.6-23.1-176.2-65.2-33.8000114
25D42.5Very low40.1Very low143 Ų143120.8 Ų120.877%0.76570%0.7SS**  trans-106.226.1-165.6-55.7-47.9000114.7P27D25-P27 VanDerWaalsContact O-CD 3.29Å; D25-P27 WeakPolarHBondContact O-CD 3.29Å
26I40.2Very low40.6Very low103 Ų103122.2 Ų122.253%0.52871%0.707SS.*  trans-95.6107.4178.1-56.6178.9000109.9F23 T28F23-I26 HydrophobicContact CD1-CD1 4.31Å; I26-T28 PolarHBondContact O-N 3.03Å
27P37.7Very low40.4Very low114 Ų114121.1 Ų121.174%0.7470%0.696SS**  trans-72.4113.3-178.228.7-34.4000111.5D25 G29D25-P27 VanDerWaalsContact O-CD 3.29Å; D25-P27 WeakPolarHBondContact O-CD 3.29Å; P27-G29 PolarHBondContact O-N 2.8Å; P27-G29 VanDerWaalsContact O-N 3.09Å
28T46.2Very low40.8Very low132 Ų132127.8 Ų127.881%0.8172%0.721SS**  trans-74.597.2173.7530000110.4I26I26-T28 PolarHBondContact O-N 3.03Å
29G33.4Very low41.6Very low64 Ų64125.7 Ų125.766%0.6672%0.718SS**  trans-68.2158.3-174.300000115.9P27P27-G29 PolarHBondContact O-N 2.8Å; P27-G29 VanDerWaalsContact O-N 3.09Å
30H35.5Very low41.5Very low189 Ų189130.8 Ų130.888%0.87573%0.733SS**  trans71.156.7168.2-55.3-40.3000118.6P32H30-P32 WeakPolarHBondContact O-CD 3.39Å
31T44.2Very low42.2Very low98 Ų98128.5 Ų128.560%0.60172%0.723SS**  trans-72.7122.7140.550.20000109.7T33T31-T33 PolarHBondContact O-N 3.07Å; T31-T33 VanDerWaalsContact O-N 3.17Å
32P41.6Very low42.3Very low125 Ų125129.1 Ų129.181%0.81272%0.717SS**  trans-72.2106.5169.9-1430000109.7H30H30-P32 WeakPolarHBondContact O-CD 3.39Å
33T38Very low42.5Very low98 Ų98129.4 Ų129.460%0.60171%0.705SS**  trans-68.9161.5168.347.80000110.9T31T31-T33 PolarHBondContact O-N 3.07Å; T31-T33 VanDerWaalsContact O-N 3.17Å
34Y35.3Very low42.9Very low227 Ų227125.7 Ų125.789%0.8970%0.697SS**  trans79.168.1176.9-45.5-69.3000116.9
35A41Very low43Very low93 Ų93128 Ų12877%0.76970%0.701SS**  trans-138.1143.8141.100000107.8D37A35-D37 PolarHBondContact O-N 3.1Å
36T44.5Very low43.3Very low137 Ų137128.7 Ų128.784%0.8469%0.693SS**  trans-91.710.9-159.243.10000116
37D39.6Very low43.6Very low121 Ų121131.8 Ų131.865%0.64771%0.705SS**  trans-120.1125.9-157.1-52.1-1000111.3A35 S39A35-D37 PolarHBondContact O-N 3.1Å; D37-S39 PolarHBondContact O-N 3.38Å
38D43.2Very low44Very low183 Ų183132.9 Ų132.998%0.97971%0.705SS**THydrogen-bonded Turntrans-64.416.3-170.6-69-50.3000116.7
39S52.5Low44Very low106 Ų106130.4 Ų130.474%0.74169%0.686SS**THydrogen-bonded Turntrans-94.6-4.6-175.3-172.40000114.8D37 K41D37-S39 PolarHBondContact O-N 3.38Å; S39-K41 PolarHBondContact O-N 3.42Å
40Y43.2Very low44.9Very low194 Ų194131.3 Ų131.376%0.76168%0.676SS**  trans-90.690.7-173.4-156.2-86.8000113.5D42Y40-D42 PolarHBondContact O-N 3.21Å
41K55.6Low45.9Very low154 Ų154126.8 Ų126.867%0.6766%0.662SS**  trans-73.8116.9162.4-73.2-176.2178179.50109.5S39 F43S39-K41 PolarHBondContact O-N 3.42Å; K41-F43 HydrophobicContact CB-CD2 4.48Å; K41-F43 HydrophobicContact CB-CE2 3.85Å; K41-F43 HydrophobicContact CB-CZ 3.9Å; K41-F43 HydrophobicContact CD-CZ 4.47Å; K41-F43 WeakPolarHBondContact O-CD2 3.44Å; K41-F43 WeakPolarHBondContact O-CE2 3.37Å; K41-F43 PolarHBondContact O-N 2.93Å
42D47.1Very low45.8Very low81 Ų81123.7 Ų123.743%0.43364%0.644SS.*  trans-69.2116.5171.4176.928.3000110.7Y40 S44Y40-D42 PolarHBondContact O-N 3.21Å; D42-S44 WeakPolarHBondContact OD1-CB 3.41Å; D42-S44 PolarHBondContact OD1-N 3.09Å; D42-S44 PolarHBondContact OD1-OG 2.96Å
43F46.9Very low46.1Very low79 Ų79123.3 Ų123.335%0.34664%0.639SS.*  trans-98.71.3177.7-67.4-77.1000113.2K41 K45 W46K41-F43 HydrophobicContact CB-CD2 4.48Å; K41-F43 HydrophobicContact CB-CE2 3.85Å; K41-F43 HydrophobicContact CB-CZ 3.9Å; K41-F43 HydrophobicContact CD-CZ 4.47Å; K41-F43 WeakPolarHBondContact O-CD2 3.44Å; K41-F43 WeakPolarHBondContact O-CE2 3.37Å; K41-F43 PolarHBondContact O-N 2.93Å; F43-K45 PolarHBondContact O-N 3.17Å; F43-K45 VanDerWaalsContact O-N 3.15Å; F43-W46 HydrophobicContact CD1-CE3 4.01Å; F43-W46 HydrophobicContact CD1-CZ3 4.11Å; F43-W46 HydrophobicContact CE1-CZ3 4.16Å; F43-W46 PolarHBondContact O-N 2.93Å
44S49.7Very low45.9Very low68 Ų68122.8 Ų122.848%0.47664%0.637SS.*G310 helixtrans-57.8-31.8-175.9-52.40000112.7D42 W46 E47D42-S44 WeakPolarHBondContact OD1-CB 3.41Å; D42-S44 PolarHBondContact OD1-N 3.09Å; D42-S44 PolarHBondContact OD1-OG 2.96Å; S44-W46 PolarHBondContact O-N 2.9Å; S44-W46 VanDerWaalsContact O-N 3.09Å; S44-E47 PolarHBondContact O-N 3.34Å
45K45.9Very low46.3Very low180 Ų180119.1 Ų119.178%0.78363%0.632SS**G310 helixtrans-59-17.2173.4-82.1-173.3172.9-179.50114.8F43F43-K45 PolarHBondContact O-N 3.17Å; F43-K45 VanDerWaalsContact O-N 3.15Å
46W47.1Very low46Very low157 Ų157122 Ų12260%0.59563%0.634SS**G310 helixtrans-101.5-12.1-175.7-67-1.6000114.5F43 S44 N48F43-W46 HydrophobicContact CD1-CE3 4.01Å; F43-W46 HydrophobicContact CD1-CZ3 4.11Å; F43-W46 HydrophobicContact CE1-CZ3 4.16Å; F43-W46 PolarHBondContact O-N 2.93Å; S44-W46 PolarHBondContact O-N 2.9Å; S44-W46 VanDerWaalsContact O-N 3.09Å; W46-N48 VanDerWaalsContact C-N 3.3Å; W46-N48 PolarHBondContact O-N 3.16Å
47E47.2Very low45.9Very low168 Ų168124 Ų12479%0.78563%0.632SS**THydrogen-bonded Turntrans-76.2-17-176.4-58.9-152.8136.400113.6S44 L49S44-E47 PolarHBondContact O-N 3.34Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 3.01Å
48N46.1Very low45.9Very low137 Ų137127.3 Ų127.373%0.73364%0.643SS**THydrogen-bonded Turntrans-82.3-3179.1-69.4-39.2000114.7W46 N50W46-N48 VanDerWaalsContact C-N 3.3Å; W46-N48 PolarHBondContact O-N 3.16Å; N48-N50 PolarHBondContact O-N 3.37Å
49L46.9Very low45.4Very low79 Ų79122.7 Ų122.741%0.41463%0.625SS.*  trans-81.776.7-174.2-67.3167.7000112.9E47 S331E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 3.01Å; L49-S331 WeakPolarHBondContact O-CB 3.28Å; L49-S331 PolarHBondContact O-OG 3.13Å
50N51.5Low44.5Very low83 Ų83124.9 Ų124.944%0.44463%0.629SS.*  trans-99.7-7.4162.2-86.4-91.3000113.5N48N48-N50 PolarHBondContact O-N 3.37Å
51T57Low44.1Very low94 Ų94122.9 Ų122.958%0.57763%0.631SS**SBendtrans-70.2134.2163.742.20000109.8
52P41.9Very low43.2Very low34 Ų34126 Ų12622%0.22164%0.64CS.*PPolyproline II helixtrans-67132.4166.329.6-32.2000108.8F63P52-F63 HydrophobicContact CB-CE1 4.48Å; P52-F63 HydrophobicContact CB-CZ 4.24Å; P52-F63 HydrophobicContact CG-CD1 4.43Å; P52-F63 HydrophobicContact CG-CE1 3.68Å; P52-F63 HydrophobicContact CG-CE2 4.43Å; P52-F63 HydrophobicContact CG-CZ 3.68Å
53T47.4Very low42.7Very low116 Ų116128.8 Ų128.871%0.71265%0.649SS**PPolyproline II helixtrans-70.3128.4168.6-40.20000108.1
54P35.2Very low42.3Very low87 Ų87131.8 Ų131.857%0.56567%0.667SS**PPolyproline II helixtrans-56.4142.3166.4-22.934.5000110.2
55L42.1Very low41.7Very low151 Ų151137.5 Ų137.579%0.79168%0.68SS**PPolyproline II helixtrans-98.5118.6165.5-90.5159.4000106.5K57L55-K57 PolarHBondContact O-N 2.89Å
56D36Very low41.2Very low152 Ų152133.8 Ų133.881%0.81367%0.674SS**SBendtrans-69.991.7-176.7-57.7-52.2000110.9
57K42Very low40.8Very low181 Ų181132 Ų13279%0.78768%0.682SS**  trans-168.4139.1160.7-104148-168.6-176.50111.2L55L55-K57 PolarHBondContact O-N 2.89Å
58E38.7Very low40.3Very low189 Ų189130.2 Ų130.288%0.88368%0.678SS**SBendtrans64.2152.4175.4-68.6146.2-126.900115.1
59S33.3Very low39.9Very low87 Ų87129.2 Ų129.261%0.60868%0.679SS**SBendtrans-96.4168.2-156.865.10000114.8N61S59-N61 PolarHBondContact O-N 3.4Å; S59-N61 PolarHBondContact O-ND2 3.36Å
60D33.4Very low39.5Very low151 Ų151131 Ų13181%0.80769%0.693SS**  trans55.552.3154.3-48.4-41.4000117.5
61N35Very low38.6Very low152 Ų152134.1 Ų134.181%0.81371%0.708SS**  trans-128.697.7165.8-85.7-85.7000112.7S59S59-N61 PolarHBondContact O-N 3.4Å; S59-N61 PolarHBondContact O-ND2 3.36Å
62Y36.5Very low37.6Very low220 Ų220136 Ų13686%0.86371%0.709SS**  trans-62.4139.3166.6-113.3-108.9000110.3I64Y62-I64 PolarHBondContact O-N 3.11Å
63F37.1Very low37.4Very low140 Ų140140.7 Ų140.761%0.61474%0.736SS**  trans-71.874.6175.2-93.2-85.6000112.2P52P52-F63 HydrophobicContact CB-CE1 4.48Å; P52-F63 HydrophobicContact CB-CZ 4.24Å; P52-F63 HydrophobicContact CG-CD1 4.43Å; P52-F63 HydrophobicContact CG-CE1 3.68Å; P52-F63 HydrophobicContact CG-CE2 4.43Å; P52-F63 HydrophobicContact CG-CZ 3.68Å
64I38.5Very low36.6Very low142 Ų142143.5 Ų143.573%0.72874%0.741SS**PPolyproline II helixtrans-78121.1167.1-60.5176.3000107.9Y62 P66Y62-I64 PolarHBondContact O-N 3.11Å; I64-P66 WeakPolarHBondContact O-CD 3.33Å
65Y36.3Very low36.5Very low188 Ų188145.5 Ų145.574%0.73775%0.754SS**PPolyproline II helixtrans-70.6120.5168.8-75.5-81000108.8
66P36.7Very low36Very low102 Ų102142.6 Ų142.666%0.66275%0.746SS**PPolyproline II helixtrans-64134.9174.226.4-33.3000109.5I64I64-P66 WeakPolarHBondContact O-CD 3.33Å
67P37.2Very low36Very low118 Ų118143 Ų14377%0.76674%0.743SS**PPolyproline II helixtrans-61.1153.6169.427.3-33.5000110
68N37.4Very low35.6Very low131 Ų131141 Ų14170%0.70174%0.742SS**PPolyproline II helixtrans-58.5130.4-178-67.9-52.6000110.4V70N68-V70 PolarHBondContact O-N 3.46Å; N68-V70 VanDerWaalsContact O-N 3.11Å
69P37.7Very low35.5Very low116 Ų116140.2 Ų140.275%0.75374%0.738SS**  trans-68.9111.5-177.526.9-34.1000110.9I71P69-I71 PolarHBondContact O-N 3.4Å
70V38.7Very low35.5Very low117 Ų117143.8 Ų143.871%0.70975%0.745SS**  trans-82.5104.9167.8178.20000107.7N68 K72N68-V70 PolarHBondContact O-N 3.46Å; N68-V70 VanDerWaalsContact O-N 3.11Å; V70-K72 PolarHBondContact O-N 2.96Å
71I33.3Very low35.4Very low149 Ų149143.3 Ų143.376%0.76474%0.742SS**  trans-75.3117178.5-56.3172.6000109.4P69P69-I71 PolarHBondContact O-N 3.4Å
72K35.9Very low35.3Very low134 Ų134142.3 Ų142.358%0.58374%0.735SS**  trans-136158.6156.9-80-167.9171.4-179.70109.1V70 L90V70-K72 PolarHBondContact O-N 2.96Å; K72-L90 HydrophobicContact CD-CD1 4.48Å
73V36.2Very low34.9Very low131 Ų131139.4 Ų139.479%0.79473%0.73SS**  trans-106.3156.2-163.6178.40000111.2
74E31.8Very low34.5Very low176 Ų176139.7 Ų139.782%0.82274%0.738SS**  trans-36.8168.4168.1-66.8173.8-159.700116.9
75P33.7Very low34.1Very low129 Ų129143.6 Ų143.684%0.83874%0.743SS**  cis-130.5-16117.138.9-18.4000116
76S30.4Very low33.8Very low90 Ų90140.9 Ų140.963%0.62974%0.741SS**  trans-99.3172.4-158.160.40000117.5
77E36.4Very low33.4Very low159 Ų159142.9 Ų142.974%0.74375%0.747SS**  trans71.689.3158.9-75.6146-103.500118.4
78D34.5Very low33Very low141 Ų141142.4 Ų142.475%0.75475%0.746SS**  60.6106.7125.7-54.30000117.5
79E36.7Very low32.8Very low172 Ų172144 Ų14480%0.80475%0.749SS**  64.4130.183.2-73.5-149.7168.100113.2
80Q32.5Very low32.5Very low162 Ų162143.8 Ų143.876%0.75774%0.741SS**  cis-143.9161.832.6-67.6177.4-12.500114.9
81N30.8Very low32.1Very low141 Ų141146.2 Ų146.275%0.75475%0.749SS**  trans96.6151.7138.1-139-10.9000120.4
82I32.4Very low31.9Very low130 Ų130147.3 Ų147.367%0.66775%0.752SS**  trans65.378170.6-44.9-174000116.5
83Q29.6Very low31.7Very low159 Ų159146.6 Ų146.674%0.74376%0.758SS**  50.6138.6116-62.1172.2-12.900121.1
84N28.5Very low31.6Very low146 Ų146147.7 Ų147.778%0.78175%0.754SS**  trans93.5134162.2-60-63.3000118.5
85R30.1Very low31.5Very low224 Ų224149.9 Ų149.985%0.84576%0.757SS**  trans7599.6159.2-71.5175.5176.3170.2-0.1119.2
86N30.5Very low31.6Very low131 Ų131150.8 Ų150.870%0.70175%0.754SS**  100112.8128.7-55.5-12.7000118.9
87N26.5Very low32Very low144 Ų144155.4 Ų155.477%0.7776%0.762SS**  trans53.6118.2133.6-53.5-14.9000119.9
88S30.7Very low31.7Very low109 Ų109153.8 Ų153.876%0.76277%0.765SS**  161.960108.2-68.80000114.6
89Q31.8Very low31.5Very low164 Ų164155.1 Ų155.177%0.76677%0.772SS**  trans-143.9142167.1-59-157.960.400109.7
90L31.2Very low31.4Very low111 Ų111151.8 Ų151.858%0.58177%0.774SS**  cis-152.3145.3-22.4-130.8174.1000106.1K72 E92K72-L90 HydrophobicContact CD-CD1 4.48Å; L90-E92 PolarHBondContact O-N 3.49Å
91L31.1Very low31.1Very low168 Ų168150 Ų15088%0.8877%0.774SS**  trans-63.1101-165.3-78.1159.2000114.3
92E28.4Very low31.1Very low173 Ų173149.6 Ų149.681%0.80877%0.772SS**  trans-67.3128.4163.8-174174-149.300109.8L90 Q94L90-E92 PolarHBondContact O-N 3.49Å; E92-Q94 PolarHBondContact O-N 3.48Å
93V31.7Very low30.9Very low118 Ų118148.4 Ų148.472%0.71577%0.771SS**  trans-80.387.9-173.1-176.90000110.1Y95V93-Y95 PolarHBondContact O-N 2.96Å; V93-Y95 VanDerWaalsContact O-N 3.17Å
94Q33.6Very low30.9Very low154 Ų154146.8 Ų146.872%0.7277%0.767SS**  trans-57.9115.4176.8-67.1-178-10.900111.6E92 L96E92-Q94 PolarHBondContact O-N 3.48Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.32Å
95Y31.6Very low31Very low223 Ų223145.5 Ų145.588%0.87576%0.76SS**  trans-74.780.5173.2-76.5-83.9000111V93 K97V93-Y95 PolarHBondContact O-N 2.96Å; V93-Y95 VanDerWaalsContact O-N 3.17Å; Y95-K97 PolarHBondContact O-N 3.5Å; Y95-K97 VanDerWaalsContact O-N 3.07Å
96L35.8Very low31Very low147 Ų147143.6 Ų143.677%0.7776%0.761SS**  trans-58.8109.9175.6-67.9172.4000111.2Q94Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.32Å
97K37.7Very low30.9Very low188 Ų188143.1 Ų143.182%0.81776%0.763SS**  trans-67.4131.3165.9-88.4178.6174.91720109.1Y95 L99Y95-K97 PolarHBondContact O-N 3.5Å; Y95-K97 VanDerWaalsContact O-N 3.07Å; K97-L99 PolarHBondContact O-N 3.07Å
98P30.9Very low30.9Very low124 Ų124142.4 Ų142.481%0.80576%0.763SS**  trans-63.7126.7178.1-22.733.7000112.3A100P98-A100 PolarHBondContact O-N 3.44Å; P98-A100 VanDerWaalsContact O-N 3.16Å
99L30.7Very low30.9Very low169 Ų169142.3 Ų142.389%0.88576%0.759SS**  trans-72.4102.2164.7-97.566.8000108.7K97 T101K97-L99 PolarHBondContact O-N 3.07Å; L99-T101 PolarHBondContact O-N 2.99Å
100A32.9Very low30.9Very low102 Ų102142.5 Ų142.584%0.84376%0.759SS**  trans-76.7112.5172.300000110P98P98-A100 PolarHBondContact O-N 3.44Å; P98-A100 VanDerWaalsContact O-N 3.16Å
101T27.6Very low31.2Very low124 Ų124141.9 Ų141.976%0.76176%0.762SS**  trans-69.2126.317450.70000111.4L99L99-T101 PolarHBondContact O-N 2.99Å
102N29.5Very low31.3Very low134 Ų134141.5 Ų141.572%0.71776%0.756SS**  trans-164.9109145.4-96.9-22.6000107.7
103T27.9Very low31.5Very low104 Ų104139.4 Ų139.464%0.63875%0.749SS**  71.9138.380600000113
104N29.8Very low31.6Very low126 Ų126142.4 Ų142.467%0.67476%0.755SS**  trans65.5127.2168.9-68.652.4000116.8
105D31.8Very low31.6Very low119 Ų119139.7 Ų139.764%0.63675%0.753SS**  cis-142.5131.1-6-83.7-50.2000111.8
106Q28.6Very low31.5Very low184 Ų184134.6 Ų134.686%0.8675%0.747SS**  trans-134.298.3142.6-82.2-166.3-10.900107.1V108Q106-V108 PolarHBondContact O-N 3.28Å
107T29.5Very low31.6Very low120 Ų120135.9 Ų135.974%0.73675%0.754SS**  trans-73.890.5172.7470000109.8
108V26.3Very low31.2Very low129 Ų129133 Ų13378%0.78275%0.752SS**  trans-103.489.1162.5-175.20000108.6Q106Q106-V108 PolarHBondContact O-N 3.28Å
109T31.1Very low31.1Very low108 Ų108136.7 Ų136.766%0.66375%0.751SS**  trans-74.2143.2158.149.80000108.4
110Q31.7Very low31.2Very low167 Ų167135 Ų13578%0.7874%0.742SS**  cis-177-173.34.4-107.7-174.58.700105.5
111P37.6Very low31Very low98 Ų98136.8 Ų136.864%0.63674%0.738SS**  cis-144-179.6-49.544.1-27.2000116
112Q33.2Very low31.2Very low161 Ų161137.1 Ų137.175%0.75273%0.734SS**  trans74.6123.2145.3-60.6-128.3-54.500124.3
113I32.2Very low31.3Very low129 Ų129138 Ų13866%0.66273%0.734SS**  trans73.9133.8134-65.7173.3000117.3
114Q33.7Very low31.5Very low180 Ų180138 Ų13884%0.84174%0.738SS**  cis-146.8170.915.1-143.715320.700113.7
115S33.5Very low31.9Very low98 Ų98139.8 Ų139.869%0.68574%0.742SS**  trans-75.5161.3175.952.10000114.3
116P30.7Very low32.2Very low115 Ų115139.3 Ų139.375%0.74775%0.746SS**  cis-120.3163.523.640.5-27.6000116.4V118P116-V118 PolarHBondContact O-N 3.31Å
117L36.3Very low32.2Very low175 Ų175137.2 Ų137.292%0.91674%0.74SS**  trans-80.979.1-155.5-59.2177.5000116.1
118V29.9Very low32.2Very low126 Ų126136 Ų13676%0.76474%0.737SS**  trans-148.1165.6162.8-147.60000110.3P116P116-V118 PolarHBondContact O-N 3.31Å
119Y29.5Very low32.6Very low203 Ų203134.2 Ų134.280%0.79673%0.73SS**  trans86.4108159.4-103.4-112000122
120L31.3Very low32.6Very low132 Ų132136.2 Ų136.269%0.69174%0.737SS**  60.6154.1128.4-77.3-169.7000126.1
121N30.2Very low32.8Very low141 Ų141133 Ų13375%0.75473%0.728SS**  trans83.7158.2158.4-62.3-17000119.9
122L30.3Very low32.8Very low131 Ų131136.2 Ų136.269%0.68674%0.735SS**  cis171136.3-44.7179.967.7000106.7
123E32.7Very low33.1Very low151 Ų151136 Ų13671%0.70673%0.734SS**  trans26.8134.2161.7-65.1159.3-162.700120.6
124S31.3Very low33.3Very low104 Ų104136.1 Ų136.173%0.72774%0.735SS**  -171.7150.567.430.70000109
125H38.9Very low33.4Very low165 Ų165136.4 Ų136.476%0.76473%0.733SS**  49.6137.573-62.4-53.8000113
126P38.5Very low33.4Very low109 Ų109139.2 Ų139.271%0.70874%0.739SS**  cis-129.5-167.636.743.6-25.4000112.1
127N28.4Very low33.5Very low139 Ų139142.1 Ų142.174%0.74374%0.743SS**  cis-157.415221-145.1-8.6000114.2
128S30Very low33.5Very low96 Ų96141.6 Ų141.667%0.67174%0.74SS**  trans50.1136.4145.959.70000121.6
129S33.5Very low33.5Very low90 Ų90142.6 Ų142.663%0.62974%0.74SS**  cis-176.5138.7-1.943.90000112.5
130N30.6Very low33.6Very low151 Ų151139.8 Ų139.881%0.80774%0.739SS**  trans65.9159.6150.6-47.5-3.4000116.6
131T36.5Very low33.6Very low99 Ų99142.6 Ų142.661%0.60775%0.748SS**  cis-136.2142.65.935.60000111.1
132E38.6Very low33.6Very low166 Ų166140.3 Ų140.378%0.77675%0.749SS**  55.8150.3128.4-60.7152.7-17500120.6
133E37.9Very low33.8Very low155 Ų155141 Ų14172%0.72476%0.758SS**  cis-161.71731.9-129.7-173.3160.100113
134I37.1Very low33.7Very low133 Ų133138.7 Ų138.768%0.68276%0.759SS**  trans55.7112.9154-61.3158.6000117.7
135K36.1Very low34Very low185 Ų185142.2 Ų142.280%0.80477%0.769SS**  cis85113.631.7-166.9-173-177.71800115.6
136L33.3Very low33.6Very low157 Ų157142.8 Ų142.882%0.82277%0.772SS**  178.4143.3129.7-97.9163.7000112.5
137E32.7Very low33.4Very low176 Ų176142.6 Ų142.682%0.82277%0.773SS**  trans-111.6166.2170.1-58.1167.2115.500109.4
138I35.8Very low33.7Very low165 Ų165144.1 Ų144.185%0.84678%0.775SS**  trans-167.2150.4147.6-104.1151000110.3
139L30.3Very low33.7Very low146 Ų146145.4 Ų145.476%0.76478%0.779SS**  trans-93.6165.2-179.3-61.188.2000112.3
140N32Very low33.8Very low145 Ų145147.7 Ų147.778%0.77579%0.789SS**  172125.5122-83.4-3.7000109.1
141E31.9Very low33.8Very low190 Ų190145.7 Ų145.789%0.88879%0.785SS**  94.8153.268.8-125.1178.2-156.900112.5
142A30Very low33.4Very low94 Ų94148.3 Ų148.378%0.77779%0.794SS**  trans-122.8156.6-153.500000115.1
143V34Very low33.2Very low144 Ų144149.5 Ų149.587%0.87380%0.796SS**  trans-139.2136.5169.2-177.70000110.3
144S31.5Very low32.7Very low104 Ų104149.5 Ų149.573%0.72780%0.801SS**  trans-99.4165-178-45.10000113
145L35.6Very low32.6Very low177 Ų177153.4 Ų153.493%0.92781%0.809SS**  trans-163.4150144.2-110.4148.7000112.3
146E30.8Very low32.2Very low177 Ų177152.3 Ų152.383%0.82781%0.812SS**  trans-119.5161.1-172.6-51.7176.2137.300111.6
147S35.9Very low32.3Very low106 Ų106150.2 Ų150.274%0.74181%0.81SS**  trans-178.6123.3137.427.10000117.2
148H34.4Very low32.2Very low171 Ų171149.8 Ų149.879%0.79281%0.814SS**  trans58.889.7134.8-49.6-44.8000124.8
149T29.7Very low32.2Very low122 Ų122146.1 Ų146.175%0.74881%0.808SS**  17.5136.8120.858.50000123
150T34.2Very low32.3Very low138 Ų138146.4 Ų146.485%0.84781%0.809SS**  179156.7111.227.40000113.8
151P31Very low32.2Very low109 Ų109148.3 Ų148.371%0.70881%0.81SS**  trans-138.6-179.9-169.843.3-24.7000118.9
152I28.3Very low32.4Very low155 Ų155145.5 Ų145.580%0.79580%0.801SS**  trans82.8123160.8-51.7165000119.7
153K34.7Very low32.5Very low191 Ų191148.3 Ų148.383%0.8380%0.798SS**  -178.3134.8123.4-99.7165-171.4174.10114.2
154N27.5Very low32.6Very low154 Ų154152.9 Ų152.982%0.82480%0.8SS**  trans-93.4157173.5-691000112.1
155Y34.1Very low32.9Very low216 Ų216152.2 Ų152.285%0.84780%0.795SS**  trans-148.4135157.4-98.3-81.8000111.6
156N29.2Very low32.7Very low161 Ų161149.1 Ų149.186%0.86178%0.784SS**  trans-104.7150.7162.1-90.9-8.6000108.9
157S34.8Very low32.9Very low114 Ų114147.4 Ų147.480%0.79778%0.78SS**  trans-161.3140.1165.5-70.50000111.2
158D30.5Very low32.9Very low167 Ų167146.6 Ų146.689%0.89377%0.774SS**  trans-85.7159-176.5-42.3-100000113.9
159A35.1Very low33Very low87 Ų87145.2 Ų145.272%0.71977%0.772SS**  trans-169.5114152.400000116.9
160I33.9Very low33Very low153 Ų153146 Ų14679%0.78577%0.771SS**  74.2119.5121.9-64.8167.4000122.9
161F29.8Very low32.9Very low184 Ų184146.9 Ų146.981%0.80777%0.771SS**  trans67.3160148.4-83.4-140.9000119.6
162D35.4Very low32.7Very low132 Ų132147.3 Ų147.371%0.70678%0.776SS**  cis-144178.717.2-141.9-35.3000114.4
163H32.4Very low33Very low153 Ų153146.9 Ų146.971%0.70878%0.781SS**  trans-133.9135.6-161.1-174.3-67.4000115.8
164W36.1Very low32.9Very low240 Ų240146.9 Ų146.991%0.90978%0.781SS**  trans-149.8103.2171.130.6-63.7000110.7
165S36.9Very low33.1Very low89 Ų89149.6 Ų149.662%0.62279%0.786SS**  76.895.389.7-67.60000113.6
166T32.1Very low32.9Very low113 Ų113145.9 Ų145.969%0.69378%0.781SS**  93.7156.26557.60000114.4
167D35.4Very low33Very low141 Ų141143.6 Ų143.675%0.75477%0.772SS**  trans78140.3168.7-67.4-67.4000119.3
168S35.9Very low32.6Very low88 Ų88145.4 Ų145.462%0.61577%0.773SS**  cis-163.2159.2-16.7-124.20000114.6
169L35.3Very low32.8Very low142 Ų142144.7 Ų144.774%0.74378%0.775SS**  trans57.8111.5148.6-61.1166.3000122.7
170L30.9Very low32.6Very low140 Ų140146.8 Ų146.873%0.73378%0.779SS**  37.9120.6120.9-60.9172.9000120.7
171N31.5Very low32.3Very low156 Ų156144.5 Ų144.583%0.83478%0.777SS**  -173.1153.496.4-100.9-47.4000114.6
172S26.2Very low32.3Very low118 Ų118141.4 Ų141.483%0.82578%0.777SS**  trans-113.6119179.4-66.90000112.1
173T35.2Very low31.9Very low145 Ų145141.7 Ų141.789%0.8978%0.779SS**  trans-141.7133.3161.839.20000111.4
174K32.1Very low31.8Very low191 Ų191144.5 Ų144.583%0.8379%0.785SS**  trans-80.8149.1167.9-57.7168179.4173.80109
175F33.2Very low31.4Very low212 Ų212142.9 Ų142.993%0.9378%0.779SS**  -165.9150.8127.1-100.9-63.6000112.8
176N30.1Very low31Very low138 Ų138144.6 Ų144.674%0.73878%0.781SS**  trans-64.5173.1-160.9-86.51.8000120.7
177T30.3Very low30.8Very low112 Ų112146.7 Ų146.769%0.68779%0.787SS**  trans82.696142.135.30000120.7
178D27.5Very low30.5Very low152 Ų152150.2 Ų150.281%0.81379%0.791SS**  43.9112.6120.2-52.5-12.2000120.4
179T33.3Very low30.1Very low152 Ų152152.6 Ų152.693%0.93380%0.797SS**  trans-155.2163.9139.3-4.50000110.7
180V31Very low29.8Very low131 Ų131151.3 Ų151.379%0.79479%0.791SS**  trans-109.1136.6-152.61710000115
181S28.1Very low29.7Very low106 Ų106149.6 Ų149.674%0.74179%0.786SS**  trans32.4117.2157.2-56.90000120.9
182S29.7Very low29.6Very low118 Ų118151.7 Ų151.783%0.82578%0.784SS**  trans-70141.1156.852.50000112.5
183N27.6Very low29.9Very low139 Ų139153 Ų15374%0.74378%0.781SS**  trans-81.5-168.8163.8-83.8-72.8000111.2
184Y29.1Very low29.9Very low211 Ų211153.2 Ų153.283%0.82778%0.776SS**  trans87.1121.8172.3-59.2-86.3000115.2
185R27.6Very low30Very low207 Ų207149 Ų14978%0.78177%0.768SS**  cis86.7118.619.1-160.4-167.5-169175.76.7114.7
186N28.4Very low29.9Very low124 Ų124146.1 Ų146.166%0.66376%0.757SS**  trans85.5130.5152.6-86.519.3000121.6
187L27.8Very low29.9Very low157 Ų157144.7 Ų144.782%0.82275%0.75SS**  trans87.9136.3142.3-68.2163.3000120.3
188Y30.5Very low30Very low216 Ų216146.9 Ų146.985%0.84775%0.752SS**  trans-66.8152166.9-72.3-118.7000109.8
189D27.4Very low30.1Very low137 Ų137145.6 Ų145.673%0.73375%0.75SS**  -167.9156.1108.1-1192.4000114.2
190N28.4Very low30.1Very low115 Ų115141.8 Ų141.862%0.61573%0.728SS**  trans49.1111.7156.3-60.6-50.4000119.8
191T29Very low30Very low105 Ų105146.7 Ų146.764%0.64473%0.732SS**  64.4118.76970.30000114.6
192Y29.2Very low30Very low200 Ų200145.7 Ų145.778%0.78473%0.725SS**  176.4151.5108.4-106.8-78.2000114.5
193N32.6Very low29.9Very low144 Ų144145.3 Ų145.377%0.7772%0.718SS**  trans61.6103.8157.5-67.9-24.3000122
194I36.1Very low29.9Very low151 Ų151147.8 Ų147.877%0.77472%0.718SS**  trans-62.9168.2139-19.2175.5000109.4
195P34.2Very low29.9Very low101 Ų101144.7 Ų144.766%0.65671%0.711SS**  -145.5160.284.342.9-27.4000115.6
196E29.6Very low29.9Very low153 Ų153141 Ų14172%0.71571%0.712SS**  50.2150.5129.6-67.7-177.1104.600121.8
197N30Very low29.9Very low107 Ų107139.5 Ų139.557%0.57271%0.711SS**  cis-158.6168.64.9-109.7-30.7000106.7
198Q32.4Very low30.1Very low159 Ų159139.2 Ų139.274%0.74371%0.711SS**  cis-158.5-179.86-135.215248.700109.6
199T30.6Very low30.1Very low125 Ų125136.5 Ų136.577%0.76771%0.709SS**  trans-128-142.5168.654.70000107.9
200P33.3Very low30.3Very low71 Ų71137 Ų13746%0.46172%0.717SS.*  cis-147.41770.148.9-30.5000119
201W27.8Very low30.3Very low234 Ų234139 Ų13989%0.88673%0.726SS**  trans62.4-179154.6-46.2-37.7000117.2
202S27.9Very low30.7Very low86 Ų86141 Ų14160%0.60173%0.731SS**  cis-151.9138.45-19.70000109.5
203T27.5Very low30.9Very low109 Ų109137.3 Ų137.367%0.66973%0.732SS**  74.3135.792.2-38.80000116
204Y29.4Very low31Very low191 Ų191136.4 Ų136.475%0.74973%0.732SS**  144.3162123.1-72.1-62.8000111.1
205Q28.2Very low30.9Very low146 Ų146135.7 Ų135.768%0.68273%0.728SS**  cis-164.6128.7-49.6-141.8-175.6-31.400113.2
206T26.8Very low30.9Very low131 Ų131138.2 Ų138.280%0.80474%0.736SS**  trans60.6172.7154.749.80000119.9
207S29.9Very low31.2Very low92 Ų92134.2 Ų134.264%0.64374%0.736SS**  cis-139.6-172.7751.20000111.3
208D31Very low31.4Very low151 Ų151137.4 Ų137.481%0.80775%0.753SS**  cis-156.517138.2-76.3-47.9000114.6
209I30Very low31.6Very low158 Ų158134.3 Ų134.381%0.8175%0.749SS**  trans-149.6141.3-179.1-56.8170.5000112.4
210V31.4Very low31.8Very low148 Ų148135.3 Ų135.390%0.89775%0.749SS**  trans-145.6169.3164.6-177.50000112.4
211I29.7Very low32Very low156 Ų156140.7 Ų140.780%0.877%0.768SS**  trans-125.6174.9-148.2-70.1162.2000116.5
212I37.3Very low32.3Very low148 Ų148137.2 Ų137.276%0.75977%0.767SS**  trans-97.1169.1-165.7-18171.7000116.2
213P33.2Very low32.5Very low123 Ų123136.7 Ų136.780%0.79978%0.775SS**  -146.8-172.8127.737.7-19.5000117.6
214T33.7Very low32.7Very low125 Ų125139.8 Ų139.877%0.76779%0.785SS**  trans-130.1-163.2-164.745.30000114.3
215I35.3Very low32.9Very low135 Ų135138.3 Ų138.369%0.69279%0.789SS**  cis-164.6169.423.95171000113.6
216D34.4Very low33.1Very low154 Ų154136.1 Ų136.182%0.82479%0.79SS**  trans48.5157149.9-51.9-25.3000124.4
217G35.8Very low33.5Very low70 Ų70136.2 Ų136.272%0.72279%0.785SS**  cis169.2152.7-11.600000116.4
218N33.4Very low33.8Very low174 Ų174139.5 Ų139.593%0.9379%0.79SS**  trans63.5153.6163.2-81.8-14.2000121.6
219S35.9Very low33.8Very low94 Ų94141.8 Ų141.866%0.65779%0.788SS**  cis-168.1164.912.849.90000116.6
220N34.8Very low33.9Very low145 Ų145140 Ų14078%0.77579%0.789SS**  trans57.2121.2147.2-60.8-10.7000125.7
221H39.3Very low33.8Very low184 Ų184141.8 Ų141.885%0.85278%0.781SS**  18017298.2-129.3-92.6000114.2
222N33.8Very low34.1Very low162 Ų162141.2 Ų141.287%0.86679%0.785SS**  trans-129.7157.2-171.5-84.4-33.6000115.7
223G31Very low33.8Very low74 Ų74139.5 Ų139.576%0.76378%0.781SS**  trans135.2119140.600000120.1
224I32.3Very low34.1Very low174 Ų174139.3 Ų139.389%0.89278%0.78SS**  trans-146.5154.9159.9-61.7-173.4000109.1
225I33Very low33.9Very low160 Ų160140.4 Ų140.482%0.82178%0.776SS**  trans-113.1163.4-174.7-74.1172.1000113.2
226S33.5Very low34.1Very low101 Ų101143.6 Ų143.671%0.70678%0.78SS**  trans-72.8-172.2-176.955.30000115.1
227D34.2Very low34.4Very low132 Ų132142 Ų14271%0.70678%0.775SS**  cis-166.9-178.820.8-166.616.9000113.3
228Q36Very low34.3Very low161 Ų161145 Ų14575%0.75278%0.782SS**  trans82.4156.5155-62.3174.839.600121.6
229R31.7Very low34.5Very low200 Ų200142.6 Ų142.676%0.75577%0.774SS**  cis-178.4139.5-35.9-160.8175.7-164.7177.14.4110.9
230S32.7Very low34.8Very low120 Ų120142.1 Ų142.184%0.83977%0.77SS**  trans176.8170149.537.90000113.5
231Y29Very low35.4Very low186 Ų186141.2 Ų141.273%0.72977%0.774SS**  trans-134.9149.1-165.2-81.4-109.9000114T233Y231-T233 HydrophobicContact CD1-CG2 4.38Å
232V34.6Very low35.6Very low144 Ų144138 Ų13887%0.87377%0.768SS**  trans-147.5149.1143.7-173.60000108.7
233T31.2Very low35.9Very low112 Ų112134.4 Ų134.469%0.68776%0.755SS**  trans-134.2-175.8-177.472.80000111.4Y231Y231-T233 HydrophobicContact CD1-CG2 4.38Å
234P39.4Very low36.4Very low118 Ų118137.2 Ų137.277%0.76676%0.762SS**  -129.3162.1-119.434.1-12.2000117.8
235E31.6Very low37.1Very low149 Ų149134.8 Ų134.870%0.69676%0.755SS**  trans-148.2145.2163.7-98.3-143.711700115.5
236R38.3Very low37.3Very low202 Ų202132.7 Ų132.776%0.76276%0.755SS**  trans64.7101.6153.9-62.4178.3-161.9179.416.4122
237V41.6Very low37.4Very low119 Ų119134.8 Ų134.872%0.72176%0.758SS**  trans-7.2160.6144.6-63.40000121.6
238P33.1Very low37.7Very low133 Ų133138.5 Ų138.586%0.86477%0.768SS**  -122.2138.8124.935.9-31.4000113.7
239T36.9Very low37.7Very low124 Ų124135.2 Ų135.276%0.76177%0.768SS**  trans-101.2145.2175.648.60000112.2S241T239-S241 PolarHBondContact O-N 2.96Å
240C42.9Very low38.1Very low85 Ų85134 Ų13457%0.57478%0.775SS**  trans-75.7121.1-178.7-173.40000112.5T242 C243C240-T242 VanDerWaalsContact C-N 3.3Å; C240-T242 PolarHBondContact O-N 3.41Å; C240-T242 PolarHBondContact SG-OG1 3.15Å; C240-T242 VanDerWaalsContact SG-OG1 3.41Å; C240-C243 HydrophobicContact CB-CB 4.41Å; C240-C243 VanDerWaalsContact SG-SG 3.7Å
241S47.7Very low38.4Very low125 Ų125134.7 Ų134.787%0.87477%0.77SS**THydrogen-bonded Turntrans-79.60.5-176.852.10000115.6T239T239-S241 PolarHBondContact O-N 2.96Å
242T43.8Very low38.7Very low118 Ų118132.8 Ų132.872%0.72477%0.772SS**THydrogen-bonded Turntrans-122.26.4-174.753.70000114.4C240C240-T242 VanDerWaalsContact C-N 3.3Å; C240-T242 PolarHBondContact O-N 3.41Å; C240-T242 PolarHBondContact SG-OG1 3.15Å; C240-T242 VanDerWaalsContact SG-OG1 3.41Å
243C39.8Very low38.8Very low86 Ų86134.6 Ų134.658%0.58177%0.768SS**  trans-125.588.5-172.5-70.90000112.3C240 V245C240-C243 HydrophobicContact CB-CB 4.41Å; C240-C243 VanDerWaalsContact SG-SG 3.7Å; C243-V245 PolarHBondContact O-N 2.9Å
244S42.1Very low38.8Very low132 Ų132138.4 Ų138.492%0.92378%0.775SS**  trans-74.535.2178.9-48.80000114.7
245V45.7Very low38.4Very low123 Ų123139.4 Ų139.475%0.74577%0.774SS**  trans-131.295.9176.5-176.10000108.7C243C243-V245 PolarHBondContact O-N 2.9Å
246S38.1Very low38.3Very low117 Ų117141.4 Ų141.482%0.81878%0.781SS**  trans-82.6113.2179.452.50000111.6
247N35.7Very low37.9Very low145 Ų145138.7 Ų138.778%0.77578%0.781SS**  trans-68.9127.4171.4-68.9-37.7000111.8
248K40.6Very low37.8Very low210 Ų210142.4 Ų142.491%0.91379%0.791SS**  trans162.1139.7153-90.3151.8-171.4-175.90108.5
249A34.3Very low37.7Very low91 Ų91139.5 Ų139.575%0.75277%0.773SS**  cis-157.9148.4-15.800000108.3
250I41.8Very low37.3Very low174 Ų174143.2 Ų143.289%0.89278%0.779SS**  trans-141.2141.2167.5-59.6-177000107.7
251D38.3Very low37Very low136 Ų136143.9 Ų143.973%0.72778%0.784SS**  trans-87155.9-168.5-70.4-72.6000115.8
252N35.7Very low36.1Very low145 Ų145145.4 Ų145.478%0.77578%0.778SS**  trans51.5150144.9-67.6-41.4000121.6
253K36.8Very low35.8Very low182 Ų182150.7 Ų150.779%0.79179%0.786SS**  cis-179.190.5-20.7175.4-178.2178.3-176.70106.5
254F30.2Very low35.6Very low192 Ų192157.3 Ų157.384%0.84280%0.8SS**  trans-144.7133.6-178.2-119.9-86000115.5
255D31.1Very low35Very low139 Ų139161.6 Ų161.674%0.74380%0.798SS**  trans30.3103.6165.2-61.4-6.8000122.3
256F29Very low34.5Very low191 Ų191163.2 Ų163.284%0.83880%0.802SS**  trans-94103153.5-178.5-80000107.6
257N30.5Very low34.3Very low145 Ų145163.5 Ų163.578%0.77580%0.799SS**  trans159.691153.8-84.7-27.2000113.3
258Q40.7Very low34.5Very low197 Ų197163.9 Ų163.992%0.92180%0.8SS**  trans-148.8118.6145.1-157.4139.736.800111.2
259C29.2Very low34Very low72 Ų72163 Ų16349%0.48680%0.799SS.*  trans-93.2150.6-174.8-173.50000112.2E262C259-E262 PolarHBondContact SG-OE1 3.31Å
260K30.1Very low33.9Very low203 Ų203163.9 Ų163.988%0.88380%0.795SS**  trans-170.259.8133.4-102.8163.5-173.1-179.80112.4
261S36.3Very low33.6Very low99 Ų99161.8 Ų161.869%0.69278%0.781SS**  trans-145.647164.875.20000112.2Y263S261-Y263 VanDerWaalsContact C-N 3.28Å; S261-Y263 PolarHBondContact O-N 3.4Å
262E29.3Very low33.3Very low157 Ų157162 Ų16273%0.73479%0.79SS**  trans-65.885.9167.7-79.5157.7-138.500110.2C259C259-E262 PolarHBondContact SG-OE1 3.31Å
263Y35.6Very low33.4Very low228 Ų228162.4 Ų162.489%0.89479%0.785SS**SBendtrans-169.4133142.8-93.8-61.8000108.9S261S261-Y263 VanDerWaalsContact C-N 3.28Å; S261-Y263 PolarHBondContact O-N 3.4Å
264Y36.4Very low33.5Very low226 Ų226157.9 Ų157.989%0.88678%0.776SS**SBendtrans71.648.2169.8-135-84.4000118.3
265Y30.5Very low33.8Very low222 Ų222157.6 Ų157.687%0.87178%0.782SS**  trans-122.9110.1149.6-92.5-83.7000109.7
266N34.9Very low34Very low157 Ų157158.7 Ų158.784%0.8478%0.782SS**  trans-148.2134.6168.7-101.2-36.5000111
267T32.9Very low34.4Very low123 Ų123154.6 Ų154.676%0.75577%0.769SS**  trans59.472.1155.4-40.10000118.6
268I40.6Very low34.8Very low152 Ų152156.4 Ų156.478%0.77977%0.77SS**  trans-134.8112130-55.4-177.7000108.2T270I268-T270 WeakPolarHBondContact CG2-OG1 3.25Å; I268-T270 PolarHBondContact O-N 2.93Å
269Q30.3Very low34.9Very low192 Ų192153.3 Ų153.390%0.89777%0.768SS**  trans-91.186173.6-68.2-177.43.200110.5
270T31.9Very low35.8Very low109 Ų109156.4 Ų156.467%0.66978%0.776SS**  trans-150.7100.1166.233.40000112.9I268I268-T270 WeakPolarHBondContact CG2-OG1 3.25Å; I268-T270 PolarHBondContact O-N 2.93Å
271E35.6Very low36.6Very low131 Ų131156.7 Ų156.761%0.61278%0.777SS**  trans56.7134.5156.4-58.9-178.2179.800120.3K273E271-K273 VanDerWaalsContact C-N 3.33Å; E271-K273 HydrophobicContact CB-CD 4.3Å; E271-K273 HydrophobicContact CB-CG 4.43Å; E271-K273 PolarHBondContact O-N 3.09Å; E271-K273 WeakPolarHBondContact OE2-CE 3.39Å; E271-K273 IonicContact OE2-NZ 2.74Å; E271-K273 PolarHBondContact OE2-NZ 2.79Å
272P31.1Very low37.5Very low141 Ų141155.6 Ų155.692%0.91676%0.763SS**  trans-7772.2-176.233.2-37.1000113.3S274P272-S274 PolarHBondContact O-N 3.45Å
273K38.1Very low38.8Very low153 Ų153150.9 Ų150.967%0.66575%0.747SS**  trans-93.289.1-174.3-79.4168.6169.51590114.1E271E271-K273 VanDerWaalsContact C-N 3.33Å; E271-K273 HydrophobicContact CB-CD 4.3Å; E271-K273 HydrophobicContact CB-CG 4.43Å; E271-K273 PolarHBondContact O-N 3.09Å; E271-K273 WeakPolarHBondContact OE2-CE 3.39Å; E271-K273 IonicContact OE2-NZ 2.74Å; E271-K273 PolarHBondContact OE2-NZ 2.79Å
274S38.9Very low40.1Very low87 Ų87144.7 Ų144.761%0.60873%0.73SS**  trans61.9115.3160.6-168.20000117.7P272 H276 N277P272-S274 PolarHBondContact O-N 3.45Å; S274-H276 PolarHBondContact O-N 3.37Å; S274-N277 PolarHBondContact O-ND2 3.23Å
275I37.6Very low41.1Very low185 Ų185142.4 Ų142.495%0.94973%0.727SS**SBendtrans-69.6-1.2178.6-64.5168.7000112.5
276H35.1Very low43Very low163 Ų163137.1 Ų137.176%0.75571%0.71SS**  trans-106.743.3-174-142.9-49.4000114.8S274 K278S274-H276 PolarHBondContact O-N 3.37Å; H276-K278 PolarHBondContact O-N 3.42Å
277N36.7Very low45Very low104 Ų104131.6 Ų131.656%0.55668%0.679SS**  trans-70.168.4178.2-92.8-58.1000114.1S274 C279 Q280S274-N277 PolarHBondContact O-ND2 3.23Å; N277-C279 PolarHBondContact O-N 3.15Å; N277-C279 VanDerWaalsContact O-N 3.17Å; N277-Q280 PolarHBondContact OD1-NE2 2.73Å
278K38.7Very low47.3Very low183 Ų183129.5 Ų129.580%0.79667%0.667SS**  trans-25111.3157171.1-171.5177.8-176.70111.2H276 Q280H276-K278 PolarHBondContact O-N 3.42Å; K278-Q280 PolarHBondContact O-N 3.04Å
279C42.1Very low49.3Very low132 Ų132125.3 Ų125.389%0.89264%0.644SS**  trans-35.289.5-166.5-51.90000114.4N277N277-C279 PolarHBondContact O-N 3.15Å; N277-C279 VanDerWaalsContact O-N 3.17Å
280Q48.3Very low51.9Low138 Ų138120.2 Ų120.265%0.64562%0.622SS**  trans-66.4145.8167.1-53.7-166.628.300106.9N277 K278 L282N277-Q280 PolarHBondContact OD1-NE2 2.73Å; K278-Q280 PolarHBondContact O-N 3.04Å; Q280-L282 VanDerWaalsContact C-N 3.3Å; Q280-L282 PolarHBondContact O-N 2.59Å
281K47.1Very low54.6Low209 Ų209115.3 Ų115.391%0.90959%0.592SS**  trans-68.294.3172.1-75.8-177.3177.3-179.50107.6S283K281-S283 PolarHBondContact O-N 3.4Å
282L55.7Low56.7Low76 Ų76112.8 Ų112.840%0.39860%0.601SS.*  trans-49.7127.3167.6-71.298.5000107.4Q280 Q286 K287 V301Q280-L282 VanDerWaalsContact C-N 3.3Å; Q280-L282 PolarHBondContact O-N 2.59Å; L282-Q286 HydrophobicContact CB-CB 4.01Å; L282-Q286 HydrophobicContact CD2-CB 4.1Å; L282-K287 WeakPolarHBondContact O-CE 3.44Å; L282-K287 PolarHBondContact O-NZ 3.4Å; L282-V301 HydrophobicContact CD2-CG2 4.32Å
283S57.9Low59Low58 Ų58109.2 Ų109.241%0.40657%0.573SS.*  trans-59.4156.6-176.766.30000109.5K281 Q285 Q286K281-S283 PolarHBondContact O-N 3.4Å; S283-Q285 PolarHBondContact O-N 2.84Å; S283-Q286 WeakPolarHBondContact O-CA 3.14Å; S283-Q286 WeakPolarHBondContact O-CB 3.1Å; S283-Q286 PolarHBondContact O-N 2.82Å
284D61.2Low60.8Low97 Ų97108 Ų10852%0.51958%0.584SS.*G310 helixtrans-67.2-12.3-175.3-64.1-58.5000113.3K287 R299D284-K287 IonicContact OD1-NZ 2.98Å; D284-K287 PolarHBondContact OD1-NZ 3.4Å; D284-R299 PolarHBondContact O-NE 3.24Å; D284-R299 PolarHBondContact O-NH2 2.96Å; D284-R299 VanDerWaalsContact O-NH2 3.11Å
285Q58.9Low62.9Low179 Ų179108.6 Ų108.684%0.83659%0.588SS**G310 helixtrans-73.7-29.9166.7-67.4-177.5-16.700113.5S283 K287S283-Q285 PolarHBondContact O-N 2.84Å; Q285-K287 PolarHBondContact O-N 3.05Å
286Q68.7Low65.1Low111 Ų111100.3 Ų100.352%0.51955%0.546SS..G310 helixtrans-79.810174.1-71.2177.9-26.200113.4L282 S283 P288L282-Q286 HydrophobicContact CB-CB 4.01Å; L282-Q286 HydrophobicContact CD2-CB 4.1Å; S283-Q286 WeakPolarHBondContact O-CA 3.14Å; S283-Q286 WeakPolarHBondContact O-CB 3.1Å; S283-Q286 PolarHBondContact O-N 2.82Å; Q286-P288 WeakPolarHBondContact O-CD 3.46Å
287K78.6Confident67.4Low41 Ų41100 Ų10018%0.17855%0.55CS.*  trans-118.182.6174.7-60.9175.9-167.6120.60109L282 D284 Q285 F289 R299 F300 V301L282-K287 WeakPolarHBondContact O-CE 3.44Å; L282-K287 PolarHBondContact O-NZ 3.4Å; D284-K287 IonicContact OD1-NZ 2.98Å; D284-K287 PolarHBondContact OD1-NZ 3.4Å; Q285-K287 PolarHBondContact O-N 3.05Å; K287-F289 VanDerWaalsContact C-N 3.31Å; K287-F289 PolarHBondContact O-N 2.87Å; K287-R299 HydrophobicContact CB-CB 3.56Å; K287-R299 HydrophobicContact CD-CB 3.98Å; K287-R299 HydrophobicContact CG-CB 4.43Å; K287-R299 PolarHBondContact O-NE 2.87Å; K287-R299 PolarHBondContact O-NH2 2.78Å; K287-F300 CarbonylContact C-O 3.51Å; K287-F300 VanDerWaalsContact CA-O 3.25Å; K287-F300 WeakPolarHBondContact CA-O 3.35Å; K287-F300 WeakPolarHBondContact CB-O 3.25Å; K287-V301 HydrophobicContact CG-CG2 4.11Å
288P79.8Confident69.7Low78 Ų78100.4 Ų100.451%0.50655%0.547SS..  trans-72.8-22.8-174.128.1-34000113.1Q286Q286-P288 WeakPolarHBondContact O-CD 3.46Å
289F83.6Confident72.1Confident65 Ų6596.1 Ų96.129%0.28553%0.526SS..EExtended strand (participates in β ladder)trans-93.7108.1-174.9-57.1-63.1000111.1K287 R299 F300 V301 I303 L306K287-F289 VanDerWaalsContact C-N 3.31Å; K287-F289 PolarHBondContact O-N 2.87Å; F289-R299 CarbonylContact O-C 3.53Å; F289-R299 WeakPolarHBondContact O-CA 3.43Å; F289-F300 HydrophobicContact CB-CB 4.31Å; F289-F300 PolarHBondContact N-O 3.29Å; F289-F300 PolarHBondContact O-N 2.9Å; F289-V301 WeakPolarHBondContact CD2-O 3.35Å; F289-V301 WeakPolarHBondContact CE2-O 3.47Å; F289-I303 HydrophobicContact CD1-CG1 3.81Å; F289-I303 HydrophobicContact CD2-CG1 4.19Å; F289-I303 HydrophobicContact CE1-CD1 3.92Å; F289-I303 HydrophobicContact CE1-CG1 3.38Å; F289-I303 HydrophobicContact CE2-CG1 3.78Å; F289-I303 HydrophobicContact CG-CG1 4.21Å; F289-I303 HydrophobicContact CZ-CD1 3.91Å; F289-I303 HydrophobicContact CZ-CG1 3.37Å; F289-L306 HydrophobicContact CB-CB 4.09Å; F289-L306 HydrophobicContact CB-CD2 3.9Å
290I84.9Confident74.3Confident85 Ų8591.7 Ų91.744%0.43649%0.492SS..EExtended strand (participates in β ladder)trans-102.7143.9-177.2-48.1-176000109.7G292 R299I290-G292 PolarHBondContact O-N 3.17Å; I290-R299 HydrophobicContact CG1-CG 4.13Å; I290-R299 HydrophobicContact CG2-CG 4.36Å
291C87.7Confident76.2Confident6 Ų688 Ų884%0.04148%0.479CS..  trans-73.6111.3170.3-167.90000110.9I293 C296 K298 L306 H313C291-I293 PolarHBondContact O-N 3.09Å; C291-C296 HydrophobicContact CB-CB 4.41Å; C291-K298 PolarHBondContact N-O 3.3Å; C291-L306 HydrophobicContact CB-CD1 4.17Å; C291-H313 VanDerWaalsContact SG-CD2 3.57Å; C291-H313 PolarHBondContact SG-NE2 2.97Å; C291-H313 VanDerWaalsContact SG-NE2 3.35Å
292G79.9Confident78Confident78 Ų7885 Ų8580%0.80446%0.462SS*.  trans-74.137.7178.700000115.1I290I290-G292 PolarHBondContact O-N 3.17Å
293I80.7Confident79.4Confident65 Ų6585.8 Ų85.833%0.33347%0.465SS..SBendtrans-119.2126.6178.2-72.9169.6000107.5C291 S295 C296 H313C291-I293 PolarHBondContact O-N 3.09Å; I293-S295 WeakPolarHBondContact CG2-OG 3.16Å; I293-S295 PolarHBondContact O-N 2.99Å; I293-C296 PolarHBondContact O-N 3.37Å; I293-H313 HydrophobicContact CD1-CB 3.63Å
294S74.7Confident80.7Confident127 Ų12785.3 Ų85.389%0.88846%0.458SS*.THydrogen-bonded Turntrans-57.7-25.9-17052.80000114.7
295S82.3Confident81.9Confident100 Ų10084 Ų8470%0.69945%0.449SS*.THydrogen-bonded Turntrans-85.43.2175.461.80000114.5I293I293-S295 WeakPolarHBondContact CG2-OG 3.16Å; I293-S295 PolarHBondContact O-N 2.99Å
296C85Confident83.2Confident11 Ų1176.4 Ų76.47%0.07441%0.414CS..  trans-141.388.9-169-146.70000116.8C291 I293 K298 H309 H313C291-C296 HydrophobicContact CB-CB 4.41Å; I293-C296 PolarHBondContact O-N 3.37Å; C296-K298 PolarHBondContact O-N 2.74Å; C296-H309 PolarHBondContact SG-NE2 3.24Å; C296-H309 VanDerWaalsContact SG-NE2 3.43Å; C296-H313 WeakPolarHBondContact CB-CE1 3.43Å; C296-H313 WeakPolarHBondContact CB-NE2 3.35Å; C296-H313 PolarHBondContact SG-CE1 3.49Å; C296-H313 PolarHBondContact SG-NE2 2.81Å; C296-H313 VanDerWaalsContact SG-NE2 3.43Å
297N82.7Confident83.9Confident156 Ų15677.3 Ų77.383%0.83442%0.416SS*.  trans-73.334.2175.4-59.5-19.2000114.4
298K85Confident84.1Confident113 Ų11378.7 Ų78.749%0.49142%0.42SS..  trans-87.4135.7-179.8-67.4-172-160.4-56.50111.5C291 C296 F300C291-K298 PolarHBondContact N-O 3.3Å; C296-K298 PolarHBondContact O-N 2.74Å; K298-F300 HydrophobicContact CB-CE2 3.68Å; K298-F300 HydrophobicContact CB-CZ 3.77Å; K298-F300 HydrophobicContact CD-CZ 4.23Å
299R89.2Confident84.4Confident94 Ų9475.8 Ų75.836%0.35540%0.4SS..EExtended strand (participates in β ladder)trans-121145.7178.2-50.4-177.764.2141.3-0.7110.4D284 K287 F289 I290D284-R299 PolarHBondContact O-NE 3.24Å; D284-R299 PolarHBondContact O-NH2 2.96Å; D284-R299 VanDerWaalsContact O-NH2 3.11Å; K287-R299 HydrophobicContact CB-CB 3.56Å; K287-R299 HydrophobicContact CD-CB 3.98Å; K287-R299 HydrophobicContact CG-CB 4.43Å; K287-R299 PolarHBondContact O-NE 2.87Å; K287-R299 PolarHBondContact O-NH2 2.78Å; F289-R299 CarbonylContact O-C 3.53Å; F289-R299 WeakPolarHBondContact O-CA 3.43Å; I290-R299 HydrophobicContact CG1-CG 4.13Å; I290-R299 HydrophobicContact CG2-CG 4.36Å
300F89.1Confident84.4Confident38 Ų3875.7 Ų75.717%0.16740%0.4CS..EExtended strand (participates in β ladder)trans-131.5156-172.6-59.8-83.9000111.3K287 F289 K298 E305 L306 H309K287-F300 CarbonylContact C-O 3.51Å; K287-F300 VanDerWaalsContact CA-O 3.25Å; K287-F300 WeakPolarHBondContact CA-O 3.35Å; K287-F300 WeakPolarHBondContact CB-O 3.25Å; F289-F300 HydrophobicContact CB-CB 4.31Å; F289-F300 PolarHBondContact N-O 3.29Å; F289-F300 PolarHBondContact O-N 2.9Å; K298-F300 HydrophobicContact CB-CE2 3.68Å; K298-F300 HydrophobicContact CB-CZ 3.77Å; K298-F300 HydrophobicContact CD-CZ 4.23Å; F300-E305 HydrophobicContact CB-CB 3.92Å; F300-E305 HydrophobicContact CD1-CB 3.7Å; F300-E305 HydrophobicContact CG-CB 4.06Å; F300-L306 HydrophobicContact CB-CB 4.47Å; F300-L306 HydrophobicContact CD2-CB 4.15Å; F300-L306 HydrophobicContact CD2-CD1 4.07Å; F300-L306 HydrophobicContact CE2-CD1 4.31Å; F300-L306 HydrophobicContact CG-CB 4.46Å; F300-H309 HydrophobicContact CE1-CB 4.03Å; F300-H309 HydrophobicContact CE2-CB 3.92Å; F300-H309 AromaticContact CE2-CD2 3.28Å; F300-H309 WeakPolarHBondContact CE2-CD2 3.25Å; F300-H309 AromaticContact CE2-CG 3.75Å; F300-H309 HydrophobicContact CZ-CB 3.48Å; F300-H309 VanDerWaalsContact CZ-CB 3.48Å; F300-H309 AromaticContact CZ-CD2 3.34Å; F300-H309 WeakPolarHBondContact CZ-CD2 3.3Å; F300-H309 AromaticContact CZ-CG 3.35Å
301V86.7Confident84.2Confident62 Ų6274.7 Ų74.738%0.37639%0.391SS..SBendtrans-85.2-29.2179.7-176.20000110.2L282 K287 F289 E305L282-V301 HydrophobicContact CD2-CG2 4.32Å; K287-V301 HydrophobicContact CG-CG2 4.11Å; F289-V301 WeakPolarHBondContact CD2-O 3.35Å; F289-V301 WeakPolarHBondContact CE2-O 3.47Å; V301-E305 PolarHBondContact N-OE2 3.13Å
302R85.4Confident83.9Confident146 Ų14678.1 Ų78.155%0.55141%0.412SS*.SBendtrans-127.1156.6-178.8-69.8167.243.494.7-3114.4D304 E305 L306R302-D304 WeakPolarHBondContact CB-OD1 3.49Å; R302-D304 IonicContact CZ-OD1 3.21Å; R302-D304 IonicContact NE-OD1 3Å; R302-D304 PolarHBondContact NE-OD1 2.98Å; R302-D304 IonicContact NH2-OD1 2.96Å; R302-D304 PolarHBondContact NH2-OD1 2.94Å; R302-D304 IonicContact NH2-OD2 3.49Å; R302-D304 PolarHBondContact NH2-OD2 3.11Å; R302-D304 PolarHBondContact O-N 3.25Å; R302-E305 HydrophobicContact CB-CG 4.15Å; R302-E305 PolarHBondContact N-OE2 3.46Å; R302-E305 VanDerWaalsContact N-OE2 3.09Å; R302-E305 PolarHBondContact O-N 2.67Å; R302-L306 PolarHBondContact O-N 2.8Å
303I86.2Confident84Confident91 Ų9177.6 Ų77.647%0.46739%0.388SS..Hα-helixtrans-63.9-37.5177.3-59.7174.9000111.8F289 E305 L306 K307F289-I303 HydrophobicContact CD1-CG1 3.81Å; F289-I303 HydrophobicContact CD2-CG1 4.19Å; F289-I303 HydrophobicContact CE1-CD1 3.92Å; F289-I303 HydrophobicContact CE1-CG1 3.38Å; F289-I303 HydrophobicContact CE2-CG1 3.78Å; F289-I303 HydrophobicContact CG-CG1 4.21Å; F289-I303 HydrophobicContact CZ-CD1 3.91Å; F289-I303 HydrophobicContact CZ-CG1 3.37Å; I303-E305 VanDerWaalsContact C-N 3.34Å; I303-E305 PolarHBondContact O-N 3.47Å; I303-L306 PolarHBondContact O-N 3.02Å; I303-K307 HydrophobicContact CG2-CD 4.18Å; I303-K307 HydrophobicContact CG2-CG 4.31Å; I303-K307 WeakPolarHBondContact O-CG 3.43Å; I303-K307 PolarHBondContact O-N 3.16Å
304D83.9Confident83.7Confident49 Ų4978.1 Ų78.126%0.26240%0.398SS..Hα-helixtrans-68.4-34179.775.9-56.8000112.2R302 R308R302-D304 WeakPolarHBondContact CB-OD1 3.49Å; R302-D304 IonicContact CZ-OD1 3.21Å; R302-D304 IonicContact NE-OD1 3Å; R302-D304 PolarHBondContact NE-OD1 2.98Å; R302-D304 IonicContact NH2-OD1 2.96Å; R302-D304 PolarHBondContact NH2-OD1 2.94Å; R302-D304 IonicContact NH2-OD2 3.49Å; R302-D304 PolarHBondContact NH2-OD2 3.11Å; R302-D304 PolarHBondContact O-N 3.25Å; D304-R308 WeakPolarHBondContact O-CB 3.15Å; D304-R308 PolarHBondContact O-N 3.11Å; D304-R308 IonicContact OD2-CZ 3.49Å; D304-R308 IonicContact OD2-NH1 3.4Å; D304-R308 PolarHBondContact OD2-NH1 2.84Å; D304-R308 IonicContact OD2-NH2 2.73Å; D304-R308 PolarHBondContact OD2-NH2 3.15Å
305E86Confident83.6Confident68 Ų6874.1 Ų74.132%0.31838%0.377SS..Hα-helixtrans-64.3-44.8172.4-60.9-179133.200111.2F300 V301 R302 I303 R308 H309F300-E305 HydrophobicContact CB-CB 3.92Å; F300-E305 HydrophobicContact CD1-CB 3.7Å; F300-E305 HydrophobicContact CG-CB 4.06Å; V301-E305 PolarHBondContact N-OE2 3.13Å; R302-E305 HydrophobicContact CB-CG 4.15Å; R302-E305 PolarHBondContact N-OE2 3.46Å; R302-E305 VanDerWaalsContact N-OE2 3.09Å; R302-E305 PolarHBondContact O-N 2.67Å; I303-E305 VanDerWaalsContact C-N 3.34Å; I303-E305 PolarHBondContact O-N 3.47Å; E305-R308 PolarHBondContact O-N 2.8Å; E305-H309 WeakPolarHBondContact O-CB 3.41Å; E305-H309 PolarHBondContact O-N 3.2Å
306L87.8Confident83.3Confident21 Ų2173.9 Ų73.911%0.1137%0.367CS..Hα-helixtrans-61.6-49.1174.3173.960.4000111.2F289 C291 F300 R302 I303 R308 H309 Q310F289-L306 HydrophobicContact CB-CB 4.09Å; F289-L306 HydrophobicContact CB-CD2 3.9Å; C291-L306 HydrophobicContact CB-CD1 4.17Å; F300-L306 HydrophobicContact CB-CB 4.47Å; F300-L306 HydrophobicContact CD2-CB 4.15Å; F300-L306 HydrophobicContact CD2-CD1 4.07Å; F300-L306 HydrophobicContact CE2-CD1 4.31Å; F300-L306 HydrophobicContact CG-CB 4.46Å; R302-L306 PolarHBondContact O-N 2.8Å; I303-L306 PolarHBondContact O-N 3.02Å; L306-R308 VanDerWaalsContact C-N 3.33Å; L306-R308 PolarHBondContact O-N 3.2Å; L306-H309 CarbonylContact O-C 3.18Å; L306-H309 WeakPolarHBondContact O-CA 3.5Å; L306-H309 WeakPolarHBondContact O-CB 3.42Å; L306-H309 PolarHBondContact O-N 3.29Å; L306-Q310 HydrophobicContact CD1-CG 4.13Å; L306-Q310 HydrophobicContact CG-CG 4.48Å; L306-Q310 WeakPolarHBondContact O-CG 3.44Å; L306-Q310 PolarHBondContact O-N 3.48Å
307K83.4Confident83.2Confident129 Ų12979.6 Ų79.656%0.56139%0.39SS*.Hα-helixtrans-59.5-42.3176.6-74-176.3175.9-173.40111.9I303 H309 Q310 R311I303-K307 HydrophobicContact CG2-CD 4.18Å; I303-K307 HydrophobicContact CG2-CG 4.31Å; I303-K307 WeakPolarHBondContact O-CG 3.43Å; I303-K307 PolarHBondContact O-N 3.16Å; K307-H309 VanDerWaalsContact C-N 3.28Å; K307-H309 PolarHBondContact O-N 2.91Å; K307-Q310 PolarHBondContact O-N 3.17Å; K307-R311 PolarHBondContact O-N 3.18Å
308R82.5Confident83.2Confident71 Ų7176.1 Ų76.127%0.26837%0.369SS..Hα-helixtrans-64.6-31.5175.1-170.4-174.6-61.2118.46.8111.9D304 E305 L306 R330D304-R308 WeakPolarHBondContact O-CB 3.15Å; D304-R308 PolarHBondContact O-N 3.11Å; D304-R308 IonicContact OD2-CZ 3.49Å; D304-R308 IonicContact OD2-NH1 3.4Å; D304-R308 PolarHBondContact OD2-NH1 2.84Å; D304-R308 IonicContact OD2-NH2 2.73Å; D304-R308 PolarHBondContact OD2-NH2 3.15Å; E305-R308 PolarHBondContact O-N 2.8Å; L306-R308 VanDerWaalsContact C-N 3.33Å; L306-R308 PolarHBondContact O-N 3.2Å; R308-R330 HydrophobicContact CG-CG 4.36Å
309H85.9Confident83.3Confident16 Ų1671.5 Ų71.57%0.07435%0.349CS..Hα-helixtrans-77.8-38174173.446.7000113.4C296 F300 E305 L306 K307 R311 T312 H313C296-H309 PolarHBondContact SG-NE2 3.24Å; C296-H309 VanDerWaalsContact SG-NE2 3.43Å; F300-H309 HydrophobicContact CE1-CB 4.03Å; F300-H309 HydrophobicContact CE2-CB 3.92Å; F300-H309 AromaticContact CE2-CD2 3.28Å; F300-H309 WeakPolarHBondContact CE2-CD2 3.25Å; F300-H309 AromaticContact CE2-CG 3.75Å; F300-H309 HydrophobicContact CZ-CB 3.48Å; F300-H309 VanDerWaalsContact CZ-CB 3.48Å; F300-H309 AromaticContact CZ-CD2 3.34Å; F300-H309 WeakPolarHBondContact CZ-CD2 3.3Å; F300-H309 AromaticContact CZ-CG 3.35Å; E305-H309 WeakPolarHBondContact O-CB 3.41Å; E305-H309 PolarHBondContact O-N 3.2Å; L306-H309 CarbonylContact O-C 3.18Å; L306-H309 WeakPolarHBondContact O-CA 3.5Å; L306-H309 WeakPolarHBondContact O-CB 3.42Å; L306-H309 PolarHBondContact O-N 3.29Å; K307-H309 VanDerWaalsContact C-N 3.28Å; K307-H309 PolarHBondContact O-N 2.91Å; H309-R311 PolarHBondContact O-N 3.31Å; H309-T312 PolarHBondContact CE1-OG1 2.62Å; H309-T312 PolarHBondContact ND1-OG1 3.39Å; H309-T312 WeakPolarHBondContact O-CA 3.29Å; H309-T312 WeakPolarHBondContact O-CB 3.42Å; H309-T312 PolarHBondContact O-N 2.79Å; H309-T312 PolarHBondContact O-OG1 2.78Å; H309-H313 AromaticContact CD2-NE2 3.99Å; H309-H313 AromaticContact CE1-CD2 3.75Å; H309-H313 AromaticContact CE1-CE1 3.75Å; H309-H313 AromaticContact CE1-NE2 3.07Å; H309-H313 PolarHBondContact CE1-NE2 3.35Å; H309-H313 AromaticContact NE2-CD2 3.75Å; H309-H313 AromaticContact NE2-CE1 3.96Å; H309-H313 AromaticContact NE2-NE2 2.99Å; H309-H313 PolarHBondContact NE2-NE2 3.42Å
310Q83.2Confident83.2Confident64 Ų6471.4 Ų71.430%0.29935%0.354SS..Hα-helixtrans-57.5-36.8177.4-74.8167.4-51.600111.7L306 K307 T312 H313 S314L306-Q310 HydrophobicContact CD1-CG 4.13Å; L306-Q310 HydrophobicContact CG-CG 4.48Å; L306-Q310 WeakPolarHBondContact O-CG 3.44Å; L306-Q310 PolarHBondContact O-N 3.48Å; K307-Q310 PolarHBondContact O-N 3.17Å; Q310-T312 PolarHBondContact O-N 3.22Å; Q310-T312 VanDerWaalsContact O-N 3.15Å; Q310-H313 PolarHBondContact O-N 3.22Å; Q310-S314 PolarHBondContact O-N 2.99Å
311R80.5Confident83.3Confident64 Ų6469.7 Ų69.724%0.24235%0.347CS..Hα-helixtrans-56.2-26.7170.2-62.6175.9-168.6160.60.3114.2K307 H309 G315K307-R311 PolarHBondContact O-N 3.18Å; H309-R311 PolarHBondContact O-N 3.31Å; R311-G315 PolarHBondContact O-N 3Å
312T80.9Confident83.5Confident77 Ų7771.4 Ų71.447%0.47235%0.354SS..Hα-helixtrans-77.7-18.717867.70000113.8H309 Q310H309-T312 PolarHBondContact CE1-OG1 2.62Å; H309-T312 PolarHBondContact ND1-OG1 3.39Å; H309-T312 WeakPolarHBondContact O-CA 3.29Å; H309-T312 WeakPolarHBondContact O-CB 3.42Å; H309-T312 PolarHBondContact O-N 2.79Å; H309-T312 PolarHBondContact O-OG1 2.78Å; Q310-T312 PolarHBondContact O-N 3.22Å; Q310-T312 VanDerWaalsContact O-N 3.15Å
313H81.9Confident83.6Confident67 Ų6768.8 Ų68.831%0.3135%0.35SS..Hα-helixtrans-86.6-42.8170.7-66.2-61.8000112C291 I293 C296 H309 Q310 G315C291-H313 VanDerWaalsContact SG-CD2 3.57Å; C291-H313 PolarHBondContact SG-NE2 2.97Å; C291-H313 VanDerWaalsContact SG-NE2 3.35Å; I293-H313 HydrophobicContact CD1-CB 3.63Å; C296-H313 WeakPolarHBondContact CB-CE1 3.43Å; C296-H313 WeakPolarHBondContact CB-NE2 3.35Å; C296-H313 PolarHBondContact SG-CE1 3.49Å; C296-H313 PolarHBondContact SG-NE2 2.81Å; C296-H313 VanDerWaalsContact SG-NE2 3.43Å; H309-H313 AromaticContact CD2-NE2 3.99Å; H309-H313 AromaticContact CE1-CD2 3.75Å; H309-H313 AromaticContact CE1-CE1 3.75Å; H309-H313 AromaticContact CE1-NE2 3.07Å; H309-H313 PolarHBondContact CE1-NE2 3.35Å; H309-H313 AromaticContact NE2-CD2 3.75Å; H309-H313 AromaticContact NE2-CE1 3.96Å; H309-H313 AromaticContact NE2-NE2 2.99Å; H309-H313 PolarHBondContact NE2-NE2 3.42Å; Q310-H313 PolarHBondContact O-N 3.22Å; H313-G315 PolarHBondContact O-N 3.43Å
314S74.9Confident83.8Confident76 Ų7666.9 Ų66.953%0.53134%0.344SS..Hα-helixtrans-62.8-22.1177.2173.60000112.9Q310 I316Q310-S314 PolarHBondContact O-N 2.99Å; S314-I316 PolarHBondContact O-N 3.07Å; S314-I316 VanDerWaalsContact OG-CD1 3.25Å; S314-I316 WeakPolarHBondContact OG-CD1 3.46Å; S314-I316 WeakPolarHBondContact OG-CG1 3.08Å
315G73.5Confident84Confident44 Ų4467.2 Ų67.245%0.45436%0.359SS..  trans72.7-13.5174.700000115.3R311 H313 K317R311-G315 PolarHBondContact O-N 3Å; H313-G315 PolarHBondContact O-N 3.43Å; G315-K317 PolarHBondContact O-N 3.35Å
316I76.1Confident84.1Confident95 Ų9569.9 Ų69.949%0.48737%0.37SS..  trans-59.5118.3-176.3-56.9173000110.8S314 Q318S314-I316 PolarHBondContact O-N 3.07Å; S314-I316 VanDerWaalsContact OG-CD1 3.25Å; S314-I316 WeakPolarHBondContact OG-CD1 3.46Å; S314-I316 WeakPolarHBondContact OG-CG1 3.08Å; I316-Q318 HydrophobicContact CG2-CG 3.63Å; I316-Q318 PolarHBondContact O-N 3.43Å
317K83.4Confident84.2Confident131 Ų13169.9 Ų69.957%0.5738%0.375SS*.  trans-95.267.3-177.8-77.3164.1171.8173.90111.4G315 F319 G327 F328 T329G315-K317 PolarHBondContact O-N 3.35Å; K317-F319 PolarHBondContact O-N 3.07Å; K317-G327 VanDerWaalsContact CD-O 3.29Å; K317-G327 WeakPolarHBondContact CD-O 3.45Å; K317-G327 WeakPolarHBondContact CG-O 3.38Å; K317-F328 CarbonylContact C-O 3.52Å; K317-F328 VanDerWaalsContact CA-O 3.3Å; K317-F328 WeakPolarHBondContact CA-O 3.45Å; K317-T329 HydrophobicContact CG-CG2 4.34Å
318Q82.5Confident84.5Confident83 Ų8366 Ų6639%0.38836%0.358SS..  trans-59.2-19.6-174.4-60.8-177.5-48.900114.9I316 F328I316-Q318 HydrophobicContact CG2-CG 3.63Å; I316-Q318 PolarHBondContact O-N 3.43Å; Q318-F328 PolarHBondContact N-O 2.86Å
319F85.8Confident84.7Confident16 Ų1664.1 Ų64.17%0.0735%0.354CS..EExtended strand (participates in β ladder)trans-109.392.6-175-58.6-82.2000110.4K317 F328 L334K317-F319 PolarHBondContact O-N 3.07Å; F319-F328 HydrophobicContact CB-CB 4.33Å; F319-F328 PolarHBondContact N-O 2.83Å; F319-F328 PolarHBondContact O-N 3.06Å; F319-L334 HydrophobicContact CB-CB 3.94Å; F319-L334 HydrophobicContact CB-CD2 3.85Å
320I88.2Confident84.6Confident91 Ų9166.9 Ų66.947%0.46736%0.364SS..EExtended strand (participates in β ladder)trans-90141-176.8-57.9176.4000110.9D322 L334I320-D322 PolarHBondContact O-N 3.04Å; I320-L334 WeakPolarHBondContact O-CD2 3.48Å
321C91.4Very high84.8Confident2 Ų264.9 Ų64.91%0.01436%0.357CS..  trans-83.3110.5173.5-166.90000112I323 C324 G325 K326 L334C321-I323 PolarHBondContact O-N 2.58Å; C321-I323 VanDerWaalsContact O-N 3.11Å; C321-C324 PolarHBondContact O-N 2.85Å; C321-C324 VanDerWaalsContact O-N 3.16Å; C321-G325 WeakPolarHBondContact O-CA 3.32Å; C321-G325 PolarHBondContact O-N 3.05Å; C321-K326 PolarHBondContact N-O 3.2Å; C321-L334 HydrophobicContact CB-CD1 3.61Å
322D89.2Confident85Confident98 Ų9864.9 Ų64.952%0.52436%0.362SS..THydrogen-bonded Turntrans-29-47.3159.953.4-19.2000115.8I320 R338I320-D322 PolarHBondContact O-N 3.04Å; D322-R338 IonicContact OD1-NE 3.2Å; D322-R338 PolarHBondContact OD1-NE 3.36Å; D322-R338 VanDerWaalsContact OD1-NE 3.13Å; D322-R338 IonicContact OD2-CZ 3.85Å; D322-R338 VanDerWaalsContact OD2-CZ 3.23Å; D322-R338 IonicContact OD2-NE 3.73Å; D322-R338 PolarHBondContact OD2-NE 3.34Å; D322-R338 IonicContact OD2-NH2 2.79Å; D322-R338 PolarHBondContact OD2-NH2 2.81Å
323I87.7Confident85.3Confident92 Ų9264.4 Ų64.447%0.47235%0.354SS..THydrogen-bonded Turntrans-85.8-19.7-171-62.4165.9000113.3C321 H341C321-I323 PolarHBondContact O-N 2.58Å; C321-I323 VanDerWaalsContact O-N 3.11Å; I323-H341 HydrophobicContact CB-CB 4.48Å; I323-H341 HydrophobicContact CD1-CB 3.59Å; I323-H341 HydrophobicContact CG2-CB 4.06Å
324C91.1Very high85.8Confident50 Ų5061.9 Ų61.934%0.33834%0.343SS..THydrogen-bonded Turntrans-151.812.8-172.872.50000116.9C321 K326 H337 H341C321-C324 PolarHBondContact O-N 2.85Å; C321-C324 VanDerWaalsContact O-N 3.16Å; C324-K326 PolarHBondContact O-N 3.27Å; C324-K326 VanDerWaalsContact SG-CG 3.59Å; C324-H337 PolarHBondContact SG-NE2 3.26Å; C324-H341 PolarHBondContact SG-NE2 3.27Å
325G88.7Confident86.3Confident56 Ų5661.7 Ų61.758%0.57733%0.334SS*.  trans67.4-0.3178.500000115.7C321 G327C321-G325 WeakPolarHBondContact O-CA 3.32Å; C321-G325 PolarHBondContact O-N 3.05Å; G325-G327 PolarHBondContact O-N 3.36Å
326K88.4Confident87Confident125 Ų12561 Ų6154%0.54332%0.322SS..  trans-70.5115.2-176.5-71.4178.9-174.8174.70111.1C321 C324 F328C321-K326 PolarHBondContact N-O 3.2Å; C324-K326 PolarHBondContact O-N 3.27Å; C324-K326 VanDerWaalsContact SG-CG 3.59Å; K326-F328 HydrophobicContact CB-CE2 3.86Å; K326-F328 HydrophobicContact CB-CZ 4.21Å; K326-F328 VanDerWaalsContact O-CD2 3.25Å; K326-F328 WeakPolarHBondContact O-CD2 3.45Å; K326-F328 WeakPolarHBondContact O-CE2 3.41Å
327G89.2Confident87.7Confident20 Ų2057.6 Ų57.621%0.20630%0.303CS..EExtended strand (participates in β ladder)trans-84.6139.6175.800000114.1K317 G325K317-G327 VanDerWaalsContact CD-O 3.29Å; K317-G327 WeakPolarHBondContact CD-O 3.45Å; K317-G327 WeakPolarHBondContact CG-O 3.38Å; G325-G327 PolarHBondContact O-N 3.36Å
328F88.9Confident88Confident47 Ų4755.6 Ų55.621%0.20629%0.292CS..EExtended strand (participates in β ladder)trans-125.4152178-61.1-93.2000111.4K317 Q318 F319 K326 R330 H333 L334 H337K317-F328 CarbonylContact C-O 3.52Å; K317-F328 VanDerWaalsContact CA-O 3.3Å; K317-F328 WeakPolarHBondContact CA-O 3.45Å; Q318-F328 PolarHBondContact N-O 2.86Å; F319-F328 HydrophobicContact CB-CB 4.33Å; F319-F328 PolarHBondContact N-O 2.83Å; F319-F328 PolarHBondContact O-N 3.06Å; K326-F328 HydrophobicContact CB-CE2 3.86Å; K326-F328 HydrophobicContact CB-CZ 4.21Å; K326-F328 VanDerWaalsContact O-CD2 3.25Å; K326-F328 WeakPolarHBondContact O-CD2 3.45Å; K326-F328 WeakPolarHBondContact O-CE2 3.41Å; F328-R330 VanDerWaalsContact C-N 3.31Å; F328-H333 HydrophobicContact CB-CB 4.26Å; F328-H333 HydrophobicContact CD1-CB 3.9Å; F328-H333 HydrophobicContact CG-CB 4.36Å; F328-L334 HydrophobicContact CB-CB 4.4Å; F328-L334 HydrophobicContact CD2-CB 4.07Å; F328-L334 HydrophobicContact CD2-CD1 3.95Å; F328-L334 HydrophobicContact CE2-CD1 4.19Å; F328-L334 HydrophobicContact CG-CB 4.39Å; F328-H337 HydrophobicContact CE1-CB 4.14Å; F328-H337 HydrophobicContact CE2-CB 3.97Å; F328-H337 AromaticContact CE2-CD2 3.26Å; F328-H337 WeakPolarHBondContact CE2-CD2 3.26Å; F328-H337 AromaticContact CE2-CG 3.79Å; F328-H337 HydrophobicContact CZ-CB 3.56Å; F328-H337 AromaticContact CZ-CD2 3.32Å; F328-H337 WeakPolarHBondContact CZ-CD2 3.37Å; F328-H337 AromaticContact CZ-CG 3.42Å; F328-H337 VanDerWaalsContact CZ-CG 3.42Å
329T86.9Confident88.3Confident32 Ų3253.6 Ų53.620%0.19628%0.281CS..SBendtrans-83.7-3.317854.10000113.8K317K317-T329 HydrophobicContact CG-CG2 4.34Å
330R84Confident88.4Confident75 Ų7557 Ų5728%0.28330%0.304SS..SBendtrans-148.2140.5-175.3-68170.852.2162.7-3.8111.7R308 F328 D332 H333 L334R308-R330 HydrophobicContact CG-CG 4.36Å; F328-R330 VanDerWaalsContact C-N 3.31Å; R330-D332 WeakPolarHBondContact CB-OD1 3.34Å; R330-D332 IonicContact CZ-OD1 2.8Å; R330-D332 IonicContact CZ-OD2 2.58Å; R330-D332 IonicContact NE-OD1 2.78Å; R330-D332 PolarHBondContact NE-OD1 3.44Å; R330-D332 IonicContact NE-OD2 2.68Å; R330-D332 IonicContact NH2-OD1 3.24Å; R330-D332 PolarHBondContact NH2-OD1 3.18Å; R330-D332 IonicContact NH2-OD2 2.78Å; R330-D332 PolarHBondContact NH2-OD2 2.96Å; R330-D332 PolarHBondContact O-N 3.02Å; R330-H333 HydrophobicContact CB-CB 4.28Å; R330-H333 PolarHBondContact NE-CE1 3.21Å; R330-H333 PolarHBondContact O-N 3.15Å; R330-L334 PolarHBondContact O-N 2.82Å
331S87.6Confident88.4Confident21 Ų2156 Ų5615%0.14730%0.297CS..Hα-helixtrans-61.4-41.3177.848.10000113.2L49 H333 L334 M335L49-S331 WeakPolarHBondContact O-CB 3.28Å; L49-S331 PolarHBondContact O-OG 3.13Å; S331-H333 VanDerWaalsContact C-N 3.25Å; S331-H333 PolarHBondContact O-N 3.39Å; S331-L334 PolarHBondContact O-N 2.6Å; S331-L334 VanDerWaalsContact O-N 3.15Å; S331-M335 WeakPolarHBondContact O-CG 3.03Å; S331-M335 PolarHBondContact O-N 2.79Å
332D84.9Confident88.3Confident65 Ų6559.9 Ų59.935%0.34832%0.321SS..Hα-helixtrans-65.4-27.9178.372.9-79.3000113.3R330 T336R330-D332 WeakPolarHBondContact CB-OD1 3.34Å; R330-D332 IonicContact CZ-OD1 2.8Å; R330-D332 IonicContact CZ-OD2 2.58Å; R330-D332 IonicContact NE-OD1 2.78Å; R330-D332 PolarHBondContact NE-OD1 3.44Å; R330-D332 IonicContact NE-OD2 2.68Å; R330-D332 IonicContact NH2-OD1 3.24Å; R330-D332 PolarHBondContact NH2-OD1 3.18Å; R330-D332 IonicContact NH2-OD2 2.78Å; R330-D332 PolarHBondContact NH2-OD2 2.96Å; R330-D332 PolarHBondContact O-N 3.02Å; D332-T336 WeakPolarHBondContact O-CB 3.49Å; D332-T336 WeakPolarHBondContact O-CG2 3.34Å; D332-T336 PolarHBondContact O-N 3.45Å; D332-T336 PolarHBondContact O-OG1 3.39Å
333H87.8Confident88.2Confident67 Ų6757 Ų5731%0.3131%0.314SS..Hα-helixtrans-74.3-40.4174.1-66.19000110.8F328 R330 S331 T336 H337F328-H333 HydrophobicContact CB-CB 4.26Å; F328-H333 HydrophobicContact CD1-CB 3.9Å; F328-H333 HydrophobicContact CG-CB 4.36Å; R330-H333 HydrophobicContact CB-CB 4.28Å; R330-H333 PolarHBondContact NE-CE1 3.21Å; R330-H333 PolarHBondContact O-N 3.15Å; S331-H333 VanDerWaalsContact C-N 3.25Å; S331-H333 PolarHBondContact O-N 3.39Å; H333-T336 PolarHBondContact O-OG1 3.03Å; H333-H337 WeakPolarHBondContact O-CB 3.38Å; H333-H337 PolarHBondContact O-N 2.84Å
334L90.9Very high88.2Confident13 Ų1356.9 Ų56.97%0.06831%0.311CS..Hα-helixtrans-62.1-46.6170.1174.361.8000111.7F319 I320 C321 F328 R330 S331 T336 H337 R338F319-L334 HydrophobicContact CB-CB 3.94Å; F319-L334 HydrophobicContact CB-CD2 3.85Å; I320-L334 WeakPolarHBondContact O-CD2 3.48Å; C321-L334 HydrophobicContact CB-CD1 3.61Å; F328-L334 HydrophobicContact CB-CB 4.4Å; F328-L334 HydrophobicContact CD2-CB 4.07Å; F328-L334 HydrophobicContact CD2-CD1 3.95Å; F328-L334 HydrophobicContact CE2-CD1 4.19Å; F328-L334 HydrophobicContact CG-CB 4.39Å; R330-L334 PolarHBondContact O-N 2.82Å; S331-L334 PolarHBondContact O-N 2.6Å; S331-L334 VanDerWaalsContact O-N 3.15Å; L334-T336 PolarHBondContact O-N 3.01Å; L334-H337 CarbonylContact O-C 3.33Å; L334-H337 WeakPolarHBondContact O-CA 3.47Å; L334-H337 WeakPolarHBondContact O-CB 3.31Å; L334-H337 PolarHBondContact O-N 3.03Å; L334-R338 HydrophobicContact CD1-CG 4.06Å; L334-R338 HydrophobicContact CG-CG 4.41Å; L334-R338 PolarHBondContact O-N 3.33Å
335M87.1Confident88.1Confident72 Ų7260.4 Ų60.436%0.35532%0.318SS..Hα-helixtrans-65-40.5-178.8-67.9-55.3130.700112.6S331 H337 R338 R339S331-M335 WeakPolarHBondContact O-CG 3.03Å; S331-M335 PolarHBondContact O-N 2.79Å; M335-H337 PolarHBondContact O-N 3.35Å; M335-R338 PolarHBondContact O-N 2.81Å; M335-R339 PolarHBondContact O-N 2.78Å
336T88.2Confident88.1Confident30 Ų3060.2 Ų60.218%0.18431%0.306CS..Hα-helixtrans-70.7-18.8172.554.10000113.4D332 H333 L334 R358D332-T336 WeakPolarHBondContact O-CB 3.49Å; D332-T336 WeakPolarHBondContact O-CG2 3.34Å; D332-T336 PolarHBondContact O-N 3.45Å; D332-T336 PolarHBondContact O-OG1 3.39Å; H333-T336 PolarHBondContact O-OG1 3.03Å; L334-T336 PolarHBondContact O-N 3.01Å; T336-R358 HydrophobicContact CG2-CG 4.1Å; T336-R358 PolarHBondContact OG1-NH1 3.03Å
337H90Very high88.1Confident23 Ų2357.5 Ų57.511%0.10629%0.293CS..Hα-helixtrans-80.5-40.5169175.746.4000113.1C324 F328 H333 L334 M335 R339 T340 H341C324-H337 PolarHBondContact SG-NE2 3.26Å; F328-H337 HydrophobicContact CE1-CB 4.14Å; F328-H337 HydrophobicContact CE2-CB 3.97Å; F328-H337 AromaticContact CE2-CD2 3.26Å; F328-H337 WeakPolarHBondContact CE2-CD2 3.26Å; F328-H337 AromaticContact CE2-CG 3.79Å; F328-H337 HydrophobicContact CZ-CB 3.56Å; F328-H337 AromaticContact CZ-CD2 3.32Å; F328-H337 WeakPolarHBondContact CZ-CD2 3.37Å; F328-H337 AromaticContact CZ-CG 3.42Å; F328-H337 VanDerWaalsContact CZ-CG 3.42Å; H333-H337 WeakPolarHBondContact O-CB 3.38Å; H333-H337 PolarHBondContact O-N 2.84Å; L334-H337 CarbonylContact O-C 3.33Å; L334-H337 WeakPolarHBondContact O-CA 3.47Å; L334-H337 WeakPolarHBondContact O-CB 3.31Å; L334-H337 PolarHBondContact O-N 3.03Å; M335-H337 PolarHBondContact O-N 3.35Å; H337-R339 PolarHBondContact O-N 2.74Å; H337-T340 PolarHBondContact CE1-OG1 3.26Å; H337-T340 PolarHBondContact ND1-OG1 2.75Å; H337-T340 WeakPolarHBondContact O-CA 3.44Å; H337-T340 VanDerWaalsContact O-CB 3.31Å; H337-T340 WeakPolarHBondContact O-CB 3.32Å; H337-T340 PolarHBondContact O-N 3.46Å; H337-T340 PolarHBondContact O-OG1 3.02Å; H337-H341 AromaticContact CE1-CE1 3.99Å; H337-H341 AromaticContact CE1-NE2 3.36Å; H337-H341 PolarHBondContact CE1-NE2 3.11Å; H337-H341 AromaticContact NE2-NE2 3.26Å; H337-H341 PolarHBondContact NE2-NE2 3.44Å
338R89Confident88.2Confident89 Ų8961.9 Ų61.934%0.33631%0.308SS..Hα-helixtrans-57.6-34.1177.6-71.1178.582.4-1355.6112.1D322 L334 M335 T340 H341 T342D322-R338 IonicContact OD1-NE 3.2Å; D322-R338 PolarHBondContact OD1-NE 3.36Å; D322-R338 VanDerWaalsContact OD1-NE 3.13Å; D322-R338 IonicContact OD2-CZ 3.85Å; D322-R338 VanDerWaalsContact OD2-CZ 3.23Å; D322-R338 IonicContact OD2-NE 3.73Å; D322-R338 PolarHBondContact OD2-NE 3.34Å; D322-R338 IonicContact OD2-NH2 2.79Å; D322-R338 PolarHBondContact OD2-NH2 2.81Å; L334-R338 HydrophobicContact CD1-CG 4.06Å; L334-R338 HydrophobicContact CG-CG 4.41Å; L334-R338 PolarHBondContact O-N 3.33Å; M335-R338 PolarHBondContact O-N 2.81Å; R338-T340 PolarHBondContact O-N 2.68Å; R338-T340 VanDerWaalsContact O-N 3.15Å; R338-H341 WeakPolarHBondContact O-CB 3.49Å; R338-H341 PolarHBondContact O-N 3.17Å; R338-T342 PolarHBondContact O-N 3.44Å; R338-T342 VanDerWaalsContact O-N 3.13Å
339R89.2Confident88.4Confident41 Ų4160 Ų6016%0.15530%0.301CS..Hα-helixtrans-57.9-21.5169.4-68.8-176.6-177.3162.14.2115.2M335 H337 T342 G343 E344 Y347 A357M335-R339 PolarHBondContact O-N 2.78Å; H337-R339 PolarHBondContact O-N 2.74Å; R339-T342 WeakPolarHBondContact CA-OG1 3.42Å; R339-G343 PolarHBondContact O-N 3.36Å; R339-G343 VanDerWaalsContact O-N 3.16Å; R339-E344 HydrophobicContact CG-CB 4.38Å; R339-E344 PolarHBondContact O-N 3.39Å; R339-Y347 PolarHBondContact NH1-OH 2.8Å; R339-A357 HydrophobicContact CB-CB 4.33Å; R339-A357 WeakPolarHBondContact CD-O 3.4Å; R339-A357 PolarHBondContact NH1-O 2.85Å
340T89Confident88.5Confident89 Ų8967.7 Ų67.755%0.54633%0.331SS..Hα-helixtrans-77.7-20.5174680000113.2H337 R338H337-T340 PolarHBondContact CE1-OG1 3.26Å; H337-T340 PolarHBondContact ND1-OG1 2.75Å; H337-T340 WeakPolarHBondContact O-CA 3.44Å; H337-T340 VanDerWaalsContact O-CB 3.31Å; H337-T340 WeakPolarHBondContact O-CB 3.32Å; H337-T340 PolarHBondContact O-N 3.46Å; H337-T340 PolarHBondContact O-OG1 3.02Å; R338-T340 PolarHBondContact O-N 2.68Å; R338-T340 VanDerWaalsContact O-N 3.15Å
341H88.2Confident88.7Confident70 Ų7068.6 Ų68.632%0.32434%0.341SS..Hα-helixtrans-88.9-45.4172.4-62-63.6000111.9I323 C324 H337 R338 G343I323-H341 HydrophobicContact CB-CB 4.48Å; I323-H341 HydrophobicContact CD1-CB 3.59Å; I323-H341 HydrophobicContact CG2-CB 4.06Å; C324-H341 PolarHBondContact SG-NE2 3.27Å; H337-H341 AromaticContact CE1-CE1 3.99Å; H337-H341 AromaticContact CE1-NE2 3.36Å; H337-H341 PolarHBondContact CE1-NE2 3.11Å; H337-H341 AromaticContact NE2-NE2 3.26Å; H337-H341 PolarHBondContact NE2-NE2 3.44Å; R338-H341 WeakPolarHBondContact O-CB 3.49Å; R338-H341 PolarHBondContact O-N 3.17Å; H341-G343 PolarHBondContact O-N 3.03Å
342T88Confident88.9Confident83 Ų8369.3 Ų69.351%0.50935%0.345SS..Hα-helixtrans-72.9-1017859.40000113.5R338 R339 E344R338-T342 PolarHBondContact O-N 3.44Å; R338-T342 VanDerWaalsContact O-N 3.13Å; R339-T342 WeakPolarHBondContact CA-OG1 3.42Å; T342-E344 PolarHBondContact O-N 3.06Å; T342-E344 VanDerWaalsContact O-N 3.11Å; T342-E344 WeakPolarHBondContact OG1-CG 3.5Å
343G87.2Confident89.1Confident37 Ų3773.7 Ų73.738%0.38137%0.369SS..  trans71-1.5-178.400000114.8R339 H341 R345R339-G343 PolarHBondContact O-N 3.36Å; R339-G343 VanDerWaalsContact O-N 3.16Å; H341-G343 PolarHBondContact O-N 3.03Å; G343-R345 PolarHBondContact O-N 3.16Å; G343-R345 PolarHBondContact O-NH1 3.06Å
344E87.5Confident89.2Confident89 Ų8978.1 Ų78.142%0.41638%0.383SS..  trans-55.2129-174-76.4-176.5153.600112.8R339 T342 A357R339-E344 HydrophobicContact CG-CB 4.38Å; R339-E344 PolarHBondContact O-N 3.39Å; T342-E344 PolarHBondContact O-N 3.06Å; T342-E344 VanDerWaalsContact O-N 3.11Å; T342-E344 WeakPolarHBondContact OG1-CG 3.5Å; E344-A357 WeakPolarHBondContact O-CB 3.5Å
345R88.9Confident89.2Confident125 Ų12583.9 Ų83.947%0.47240%0.404SS..  trans-128.976.2179.2-74.6170.2156.983.3-1.1111.3G343 Y347 R355 F356G343-R345 PolarHBondContact O-N 3.16Å; G343-R345 PolarHBondContact O-NH1 3.06Å; R345-Y347 VanDerWaalsContact C-N 3.31Å; R345-Y347 PolarHBondContact O-N 3.25Å; R345-R355 HydrophobicContact CB-CB 3.59Å; R345-R355 VanDerWaalsContact CD-O 3.25Å; R345-R355 WeakPolarHBondContact CD-O 3.32Å; R345-R355 PolarHBondContact NE-O 3.4Å; R345-R355 PolarHBondContact O-NE 2.7Å; R345-F356 CarbonylContact C-O 3.58Å; R345-F356 VanDerWaalsContact CA-O 3.32Å; R345-F356 WeakPolarHBondContact CA-O 3.39Å
346P88.9Confident89.3Confident52 Ų5281.5 Ų81.534%0.33839%0.391SS..  trans-67-28.9-177.3-2134.3000113.6E348P346-E348 PolarHBondContact O-N 3.18Å
347Y89.7Confident89.4Confident68 Ų6880.7 Ų80.727%0.26739%0.388SS..EExtended strand (participates in β ladder)trans-97.193.3-169.7-49.2-78000111.8R339 R345 F356 A357R339-Y347 PolarHBondContact NH1-OH 2.8Å; R345-Y347 VanDerWaalsContact C-N 3.31Å; R345-Y347 PolarHBondContact O-N 3.25Å; Y347-F356 WeakPolarHBondContact CD2-O 3.46Å; Y347-F356 PolarHBondContact N-O 3.47Å; Y347-F356 WeakPolarHBondContact O-CD2 3.48Å; Y347-F356 PolarHBondContact O-N 2.9Å; Y347-A357 WeakPolarHBondContact CE2-O 3.46Å
348E90.4Very high89.3Confident112 Ų11284 Ų8452%0.52340%0.399SS..EExtended strand (participates in β ladder)trans-68.7159.3167.664.5-173.2-15100113.4P346 R355 R362P346-E348 PolarHBondContact O-N 3.18Å; E348-R355 HydrophobicContact CB-CG 4.22Å; E348-R362 WeakPolarHBondContact O-CD 3.31Å; E348-R362 VanDerWaalsContact O-CG 3.22Å; E348-R362 WeakPolarHBondContact O-CG 3.47Å; E348-R362 PolarHBondContact O-NE 3.41Å
349C92.6Very high89.3Confident8 Ų882.4 Ų82.45%0.05440%0.401CS..EExtended strand (participates in β ladder)trans-98.5127.2172.4-175.70000110.5I351 C352 R354 F356 H365C349-I351 PolarHBondContact O-N 2.78Å; C349-C352 WeakPolarHBondContact CB-O 3.25Å; C349-C352 PolarHBondContact O-N 3.41Å; C349-R354 PolarHBondContact N-O 3.45Å; C349-R354 VanDerWaalsContact N-O 3.14Å; C349-F356 HydrophobicContact CB-CE2 4.31Å; C349-H365 VanDerWaalsContact SG-CD2 3.55Å
350K89.1Confident89.3Confident193 Ų19382.9 Ų82.984%0.83941%0.407SS*.THydrogen-bonded Turntrans-67.715.1179.1-60.7-161.7172.1-158.50115.6
351I88.8Confident89.3Confident93 Ų9382.3 Ų82.348%0.47740%0.398SS..THydrogen-bonded Turntrans-135.4-19.1-173.5-51.3173.1000111.2C349 H369C349-I351 PolarHBondContact O-N 2.78Å; I351-H369 HydrophobicContact CB-CB 4.48Å; I351-H369 HydrophobicContact CD1-CB 3.71Å; I351-H369 HydrophobicContact CG2-CB 3.96Å
352C91.5Very high89.5Confident36 Ų3682.4 Ų82.424%0.24340%0.396CS..EExtended strand (participates in β ladder)trans-164.4163.2170.168.10000110.8C349 R354 H365 H369C349-C352 WeakPolarHBondContact CB-O 3.25Å; C349-C352 PolarHBondContact O-N 3.41Å; C352-R354 PolarHBondContact O-N 3.31Å; C352-H365 PolarHBondContact SG-NE2 2.9Å; C352-H365 VanDerWaalsContact SG-NE2 3.39Å; C352-H369 PolarHBondContact SG-CE1 3.49Å; C352-H369 PolarHBondContact SG-NE2 3.18Å
353D90Very high89.7Confident158 Ų15881.4 Ų81.485%0.84539%0.387SS*.EExtended strand (participates in β ladder)trans-70.913.4-167-36.2-63.1000114.9R355D353-R355 PolarHBondContact O-N 3.17Å
354R88.5Confident89.8Confident160 Ų16086.5 Ų86.560%0.60440%0.395SS*.EExtended strand (participates in β ladder)trans-76.3116.1180-61.5-172.178.6148.67.8110.2C349 C352 F356C349-R354 PolarHBondContact N-O 3.45Å; C349-R354 VanDerWaalsContact N-O 3.14Å; C352-R354 PolarHBondContact O-N 3.31Å; R354-F356 HydrophobicContact CB-CE2 3.76Å; R354-F356 HydrophobicContact CB-CZ 3.83Å; R354-F356 WeakPolarHBondContact O-CD2 3.14Å; R354-F356 WeakPolarHBondContact O-CE2 3.4Å
355R91.1Very high89.9Confident134 Ų13483.3 Ų83.351%0.50638%0.38SS..EExtended strand (participates in β ladder)trans-98.5144.2176-53179.770.8148.411111.4R345 E348 D353R345-R355 HydrophobicContact CB-CB 3.59Å; R345-R355 VanDerWaalsContact CD-O 3.25Å; R345-R355 WeakPolarHBondContact CD-O 3.32Å; R345-R355 PolarHBondContact NE-O 3.4Å; R345-R355 PolarHBondContact O-NE 2.7Å; E348-R355 HydrophobicContact CB-CG 4.22Å; D353-R355 PolarHBondContact O-N 3.17Å
356F90Very high89.9Confident21 Ų2178.9 Ų78.99%0.09237%0.367CS..EExtended strand (participates in β ladder)trans-128.2150.3-174.5-60.4-85.8000111.7R345 Y347 C349 R354 R358 E361 R362 H365R345-F356 CarbonylContact C-O 3.58Å; R345-F356 VanDerWaalsContact CA-O 3.32Å; R345-F356 WeakPolarHBondContact CA-O 3.39Å; Y347-F356 WeakPolarHBondContact CD2-O 3.46Å; Y347-F356 PolarHBondContact N-O 3.47Å; Y347-F356 WeakPolarHBondContact O-CD2 3.48Å; Y347-F356 PolarHBondContact O-N 2.9Å; C349-F356 HydrophobicContact CB-CE2 4.31Å; R354-F356 HydrophobicContact CB-CE2 3.76Å; R354-F356 HydrophobicContact CB-CZ 3.83Å; R354-F356 WeakPolarHBondContact O-CD2 3.14Å; R354-F356 WeakPolarHBondContact O-CE2 3.4Å; F356-R358 VanDerWaalsContact C-N 3.31Å; F356-E361 HydrophobicContact CB-CB 4.36Å; F356-E361 HydrophobicContact CD1-CB 4.28Å; F356-E361 HydrophobicContact CD1-CG 3.65Å; F356-E361 HydrophobicContact CE1-CG 4.28Å; F356-E361 HydrophobicContact CG-CG 4.39Å; F356-R362 HydrophobicContact CB-CB 4.19Å; F356-R362 HydrophobicContact CD2-CB 3.85Å; F356-R362 HydrophobicContact CD2-CG 4.06Å; F356-R362 HydrophobicContact CG-CB 4.2Å; F356-H365 HydrophobicContact CE1-CB 4.21Å; F356-H365 HydrophobicContact CE2-CB 4.08Å; F356-H365 AromaticContact CE2-CD2 3.27Å; F356-H365 WeakPolarHBondContact CE2-CD2 3.27Å; F356-H365 AromaticContact CE2-CG 3.85Å; F356-H365 HydrophobicContact CZ-CB 3.66Å; F356-H365 AromaticContact CZ-CD2 3.27Å; F356-H365 WeakPolarHBondContact CZ-CD2 3.44Å; F356-H365 AromaticContact CZ-CG 3.43Å; F356-H365 VanDerWaalsContact CZ-CG 3.43Å
357A89.1Confident90Very high13 Ų1382.7 Ų82.711%0.10738%0.378CS..SBendtrans-77.9-17.7179.300000112.9R339 E344 Y347R339-A357 HydrophobicContact CB-CB 4.33Å; R339-A357 WeakPolarHBondContact CD-O 3.4Å; R339-A357 PolarHBondContact NH1-O 2.85Å; E344-A357 WeakPolarHBondContact O-CB 3.5Å; Y347-A357 WeakPolarHBondContact CE2-O 3.46Å
358R88.3Confident89.9Confident94 Ų9482.5 Ų82.536%0.35538%0.384SS..SBendtrans-135.3141.9-176.5-66.5174.255114.52.5112.4T336 F356 D360 E361 R362T336-R358 HydrophobicContact CG2-CG 4.1Å; T336-R358 PolarHBondContact OG1-NH1 3.03Å; F356-R358 VanDerWaalsContact C-N 3.31Å; R358-D360 IonicContact CZ-OD1 3.23Å; R358-D360 VanDerWaalsContact CZ-OD1 3.24Å; R358-D360 IonicContact NE-OD1 2.67Å; R358-D360 PolarHBondContact NE-OD1 3.14Å; R358-D360 IonicContact NH2-OD1 3.13Å; R358-D360 PolarHBondContact NH2-OD1 3.31Å; R358-D360 PolarHBondContact O-N 3.39Å; R358-E361 HydrophobicContact CB-CB 4.25Å; R358-E361 WeakPolarHBondContact O-CB 3.22Å; R358-E361 PolarHBondContact O-N 2.83Å; R358-R362 PolarHBondContact O-N 3.33Å
359S89.1Confident89.7Confident54 Ų5480.4 Ų80.438%0.37837%0.374SS..Hα-helixtrans-66.7-33.6179.357.70000113.1E361 R362 N363S359-E361 VanDerWaalsContact C-N 3.29Å; S359-E361 PolarHBondContact O-N 2.82Å; S359-R362 PolarHBondContact O-N 3.34Å; S359-N363 VanDerWaalsContact O-CB 3.31Å; S359-N363 WeakPolarHBondContact O-CB 3.35Å; S359-N363 PolarHBondContact O-N 3.45Å; S359-N363 PolarHBondContact O-ND2 2.84Å
360D89.1Confident89.1Confident51 Ų5187 Ų8727%0.27341%0.406SS..Hα-helixtrans-66.7-31.5175.378.2-93.1000112.5R358 N363 R364R358-D360 IonicContact CZ-OD1 3.23Å; R358-D360 VanDerWaalsContact CZ-OD1 3.24Å; R358-D360 IonicContact NE-OD1 2.67Å; R358-D360 PolarHBondContact NE-OD1 3.14Å; R358-D360 IonicContact NH2-OD1 3.13Å; R358-D360 PolarHBondContact NH2-OD1 3.31Å; R358-D360 PolarHBondContact O-N 3.39Å; D360-N363 CarbonylContact O-C 3.35Å; D360-N363 PolarHBondContact O-N 3.36Å; D360-R364 WeakPolarHBondContact O-CB 3.4Å; D360-R364 PolarHBondContact O-N 2.78Å; D360-R364 IonicContact OD2-CZ 3.38Å; D360-R364 IonicContact OD2-NH1 3.17Å; D360-R364 PolarHBondContact OD2-NH1 3.42Å; D360-R364 IonicContact OD2-NH2 2.7Å; D360-R364 PolarHBondContact OD2-NH2 3.19Å
361E89.4Confident88.1Confident77 Ų7782.9 Ų82.936%0.3639%0.385SS..Hα-helixtrans-72.5-47177.3-165.7-173.8-172.400110.7F356 R358 S359 N363 R364 H365F356-E361 HydrophobicContact CB-CB 4.36Å; F356-E361 HydrophobicContact CD1-CB 4.28Å; F356-E361 HydrophobicContact CD1-CG 3.65Å; F356-E361 HydrophobicContact CE1-CG 4.28Å; F356-E361 HydrophobicContact CG-CG 4.39Å; R358-E361 HydrophobicContact CB-CB 4.25Å; R358-E361 WeakPolarHBondContact O-CB 3.22Å; R358-E361 PolarHBondContact O-N 2.83Å; S359-E361 VanDerWaalsContact C-N 3.29Å; S359-E361 PolarHBondContact O-N 2.82Å; E361-N363 VanDerWaalsContact C-N 3.27Å; E361-N363 PolarHBondContact O-N 3.45Å; E361-R364 WeakPolarHBondContact O-CA 3.48Å; E361-R364 WeakPolarHBondContact O-CB 3.25Å; E361-R364 PolarHBondContact O-N 3.28Å; E361-H365 PolarHBondContact O-N 3.42Å
362R93.1Very high86.7Confident73 Ų7385.8 Ų85.828%0.27540%0.402SS..Hα-helixtrans-55.4-42.9169.4-173.1-96.9-83.8161.7-7.7111.8E348 F356 R358 S359 R364 H365 T366E348-R362 WeakPolarHBondContact O-CD 3.31Å; E348-R362 VanDerWaalsContact O-CG 3.22Å; E348-R362 WeakPolarHBondContact O-CG 3.47Å; E348-R362 PolarHBondContact O-NE 3.41Å; F356-R362 HydrophobicContact CB-CB 4.19Å; F356-R362 HydrophobicContact CD2-CB 3.85Å; F356-R362 HydrophobicContact CD2-CG 4.06Å; F356-R362 HydrophobicContact CG-CB 4.2Å; R358-R362 PolarHBondContact O-N 3.33Å; S359-R362 PolarHBondContact O-N 3.34Å; R362-R364 VanDerWaalsContact C-N 3.3Å; R362-R364 PolarHBondContact O-N 3.01Å; R362-H365 PolarHBondContact O-N 2.89Å; R362-T366 PolarHBondContact O-N 2.94Å; R362-T366 PolarHBondContact O-OG1 3.41Å
363N90.5Very high85Confident62 Ų6292.2 Ų92.233%0.33243%0.426SS..Hα-helixtrans-72.2-18.5176.7-73.5-20.7000114.4S359 D360 E361 T366 K367S359-N363 VanDerWaalsContact O-CB 3.31Å; S359-N363 WeakPolarHBondContact O-CB 3.35Å; S359-N363 PolarHBondContact O-N 3.45Å; S359-N363 PolarHBondContact O-ND2 2.84Å; D360-N363 CarbonylContact O-C 3.35Å; D360-N363 PolarHBondContact O-N 3.36Å; E361-N363 VanDerWaalsContact C-N 3.27Å; E361-N363 PolarHBondContact O-N 3.45Å; N363-T366 PolarHBondContact O-OG1 2.8Å; N363-K367 VanDerWaalsContact O-CD 3.25Å; N363-K367 WeakPolarHBondContact O-CD 3.47Å; N363-K367 WeakPolarHBondContact O-CE 3.32Å; N363-K367 VanDerWaalsContact O-CG 3.28Å; N363-K367 WeakPolarHBondContact O-CG 3.34Å
364R89.4Confident83.3Confident143 Ų14390.5 Ų90.554%0.5442%0.423SS..Hα-helixtrans-80.3-31.7170-171.1-176.7-63.1104.110.7110.8D360 E361 R362D360-R364 WeakPolarHBondContact O-CB 3.4Å; D360-R364 PolarHBondContact O-N 2.78Å; D360-R364 IonicContact OD2-CZ 3.38Å; D360-R364 IonicContact OD2-NH1 3.17Å; D360-R364 PolarHBondContact OD2-NH1 3.42Å; D360-R364 IonicContact OD2-NH2 2.7Å; D360-R364 PolarHBondContact OD2-NH2 3.19Å; E361-R364 WeakPolarHBondContact O-CA 3.48Å; E361-R364 WeakPolarHBondContact O-CB 3.25Å; E361-R364 PolarHBondContact O-N 3.28Å; R362-R364 VanDerWaalsContact C-N 3.3Å; R362-R364 PolarHBondContact O-N 3.01Å
365H91.1Very high81.7Confident23 Ų2392.5 Ų92.511%0.10643%0.431CS..Hα-helixtrans-83.6-36178.1172.554.7000114.5C349 C352 F356 E361 R362 K367 T368 H369C349-H365 VanDerWaalsContact SG-CD2 3.55Å; C352-H365 PolarHBondContact SG-NE2 2.9Å; C352-H365 VanDerWaalsContact SG-NE2 3.39Å; F356-H365 HydrophobicContact CE1-CB 4.21Å; F356-H365 HydrophobicContact CE2-CB 4.08Å; F356-H365 AromaticContact CE2-CD2 3.27Å; F356-H365 WeakPolarHBondContact CE2-CD2 3.27Å; F356-H365 AromaticContact CE2-CG 3.85Å; F356-H365 HydrophobicContact CZ-CB 3.66Å; F356-H365 AromaticContact CZ-CD2 3.27Å; F356-H365 WeakPolarHBondContact CZ-CD2 3.44Å; F356-H365 AromaticContact CZ-CG 3.43Å; F356-H365 VanDerWaalsContact CZ-CG 3.43Å; E361-H365 PolarHBondContact O-N 3.42Å; R362-H365 PolarHBondContact O-N 2.89Å; H365-K367 PolarHBondContact O-N 3.06Å; H365-T368 PolarHBondContact ND1-OG1 3.08Å; H365-T368 VanDerWaalsContact ND1-OG1 3.08Å; H365-T368 WeakPolarHBondContact O-CA 3.28Å; H365-T368 PolarHBondContact O-N 3.22Å; H365-T368 PolarHBondContact O-OG1 3.42Å; H365-H369 AromaticContact CD2-NE2 3.98Å; H365-H369 AromaticContact CE1-CD2 3.88Å; H365-H369 AromaticContact CE1-CE1 3.87Å; H365-H369 AromaticContact CE1-NE2 3.22Å; H365-H369 PolarHBondContact CE1-NE2 3.41Å; H365-H369 AromaticContact NE2-CD2 3.81Å; H365-H369 AromaticContact NE2-CE1 4Å; H365-H369 AromaticContact NE2-NE2 3.06Å; H365-H369 PolarHBondContact NE2-NE2 2.83Å; H365-H369 PolarHBondContact O-N 3.39Å
366T89.4Confident79.8Confident32 Ų3298.1 Ų98.120%0.19645%0.452CS..Hα-helixtrans-57.5-37.1169.951.60000110.7R362 N363 T368 H369 M370R362-T366 PolarHBondContact O-N 2.94Å; R362-T366 PolarHBondContact O-OG1 3.41Å; N363-T366 PolarHBondContact O-OG1 2.8Å; T366-T368 PolarHBondContact O-N 3.14Å; T366-T368 VanDerWaalsContact O-N 3.14Å; T366-H369 PolarHBondContact O-N 2.74Å; T366-M370 WeakPolarHBondContact O-CG 3.34Å; T366-M370 PolarHBondContact O-N 3.46Å
367K89.4Confident77.7Confident131 Ų131101 Ų10157%0.5749%0.488SS*.Hα-helixtrans-69.95.6170-62.4174.3-171177.80115.1N363 H365 R371N363-K367 VanDerWaalsContact O-CD 3.25Å; N363-K367 WeakPolarHBondContact O-CD 3.47Å; N363-K367 WeakPolarHBondContact O-CE 3.32Å; N363-K367 VanDerWaalsContact O-CG 3.28Å; N363-K367 WeakPolarHBondContact O-CG 3.34Å; H365-K367 PolarHBondContact O-N 3.06Å; K367-R371 WeakPolarHBondContact O-CD 3.27Å; K367-R371 VanDerWaalsContact O-CG 3.31Å; K367-R371 WeakPolarHBondContact O-CG 3.24Å; K367-R371 VanDerWaalsContact O-CZ 3.27Å; K367-R371 PolarHBondContact O-NE 3.23Å; K367-R371 PolarHBondContact O-NH2 2.92Å
368T88.7Confident76Confident65 Ų65112 Ų11240%0.39953%0.526SS..Hα-helixtrans-102.1-27.9165.561.30000112.8H365 T366H365-T368 PolarHBondContact ND1-OG1 3.08Å; H365-T368 VanDerWaalsContact ND1-OG1 3.08Å; H365-T368 WeakPolarHBondContact O-CA 3.28Å; H365-T368 PolarHBondContact O-N 3.22Å; H365-T368 PolarHBondContact O-OG1 3.42Å; T366-T368 PolarHBondContact O-N 3.14Å; T366-T368 VanDerWaalsContact O-N 3.14Å
369H85.6Confident74.3Confident67 Ų67117.1 Ų117.131%0.3155%0.551SS.*Hα-helixtrans-67.5-39.8167.7-64.9-67.1000111.1I351 C352 H365 T366 R371I351-H369 HydrophobicContact CB-CB 4.48Å; I351-H369 HydrophobicContact CD1-CB 3.71Å; I351-H369 HydrophobicContact CG2-CB 3.96Å; C352-H369 PolarHBondContact SG-CE1 3.49Å; C352-H369 PolarHBondContact SG-NE2 3.18Å; H365-H369 AromaticContact CD2-NE2 3.98Å; H365-H369 AromaticContact CE1-CD2 3.88Å; H365-H369 AromaticContact CE1-CE1 3.87Å; H365-H369 AromaticContact CE1-NE2 3.22Å; H365-H369 PolarHBondContact CE1-NE2 3.41Å; H365-H369 AromaticContact NE2-CD2 3.81Å; H365-H369 AromaticContact NE2-CE1 4Å; H365-H369 AromaticContact NE2-NE2 3.06Å; H365-H369 PolarHBondContact NE2-NE2 2.83Å; H365-H369 PolarHBondContact O-N 3.39Å; T366-H369 PolarHBondContact O-N 2.74Å; H369-R371 PolarHBondContact O-N 3.22Å
370M79.3Confident72.8Confident147 Ų147119.6 Ų119.672%0.72457%0.566SS**THydrogen-bonded Turntrans-78.639.6177.2-44.7-128.784.600112.9T366T366-M370 WeakPolarHBondContact O-CG 3.34Å; T366-M370 PolarHBondContact O-N 3.46Å
371R68.6Low71.4Confident107 Ų107128.9 Ų128.940%0.40460%0.597SS.*  trans-135.281.3-178.9-75.4-175-167.7159.611.7112.6K367 H369 K373K367-R371 WeakPolarHBondContact O-CD 3.27Å; K367-R371 VanDerWaalsContact O-CG 3.31Å; K367-R371 WeakPolarHBondContact O-CG 3.24Å; K367-R371 VanDerWaalsContact O-CZ 3.27Å; K367-R371 PolarHBondContact O-NE 3.23Å; K367-R371 PolarHBondContact O-NH2 2.92Å; H369-R371 PolarHBondContact O-N 3.22Å; R371-K373 PolarHBondContact O-N 2.92Å
372D59.2Low69.3Low153 Ų153132 Ų13282%0.81862%0.616SS**SBendtrans-70.115168.4-45.9-77.8000113.7
373K55.1Low67.3Low171 Ų171132.6 Ų132.674%0.74364%0.637SS**SBendtrans-135.8124.3170.6-103.389.4-166.6168.70110.1R371R371-K373 PolarHBondContact O-N 2.92Å
374P55Low65.1Low122 Ų122135.2 Ų135.279%0.79266%0.66SS**PPolyproline II helixtrans-64.9140.3173.827.5-34000110.7R376P374-R376 PolarHBondContact O-N 3.24Å
375R54.5Low63.4Low203 Ų203135.7 Ų135.777%0.76667%0.672SS**PPolyproline II helixtrans-71.4116.9173.3-84.7-163.3164.7-145.6-7.5109.7
376R52.5Low61.1Low252 Ų252140.1 Ų140.195%0.95170%0.703SS**SBendtrans-49.7140.6177-65.2-176.9176.5-162.1-1.8112P374P374-R376 PolarHBondContact O-N 3.24Å
377G44.4Very low58.6Low82 Ų82144.6 Ų144.685%0.84574%0.735SS**  trans90.416141.900000119.8
378R55.1Low56.5Low242 Ų242143.3 Ų143.391%0.91374%0.743SS**  trans-99.599.2161.3-85.1-167.4171.4-167.6-3.8110.9
379K50.9Low54.4Low203 Ų203145.5 Ų145.588%0.88376%0.756SS**  trans-57.6131.5164.5-108.5179.8175.2179.20108.7
380P58.9Low52.4Low106 Ų106148.7 Ų148.769%0.68878%0.78SS**  trans-65.5145.2167.928.8-33.3000109.7N382P380-N382 PolarHBondContact O-N 3.18Å
381R59.2Low50.8Low246 Ų246148.6 Ų148.693%0.92878%0.782SS**  trans-86.6101.3171.5-176.6178.9-174.4170.11.7107.4A383R381-A383 PolarHBondContact O-N 3.43Å
382N44.8Very low49.6Very low141 Ų141148 Ų14875%0.75480%0.795SS**  trans-59.6120.5173.3-75.810.7000109.2P380P380-N382 PolarHBondContact O-N 3.18Å
383A51.8Low49Very low86 Ų86146 Ų14671%0.71179%0.792SS**  trans-113.1100166.700000106.6R381R381-A383 PolarHBondContact O-N 3.43Å
384S44Very low48.8Very low118 Ų118142.9 Ų142.983%0.82579%0.792SS**  trans-72.8126.4178.9-520000109.8
385I53.1Low48.4Very low153 Ų153142.5 Ų142.579%0.78579%0.792SS**  trans-126.3126.3169.6-57.5-179.2000106.8
386P43.4Very low48.2Very low115 Ų115137.4 Ų137.475%0.74779%0.788SS**  trans-80.6146.1-174.5-9.126.6000112.6
387S36.6Very low48.1Very low127 Ų127133.9 Ų133.989%0.88878%0.779SS**  trans-83.9123.1172.9-56.60000111.8
388S45.2Very low47.9Very low104 Ų104138.1 Ų138.173%0.72778%0.777SS**  trans-165.3156.1168.451.30000111.2
389T44.9Very low47.1Very low110 Ų110132.6 Ų132.668%0.67577%0.77SS**  cis-159.7118.4-31-74.80000107.8L391T389-L391 HydrophobicContact CG2-CD1 4.39Å
390T43.3Very low46.4Very low134 Ų134129.3 Ų129.382%0.82277%0.767SS**  trans-168.9125.7166.421.40000106.2
391L46.3Very low45.3Very low145 Ų145130.8 Ų130.876%0.75977%0.774SS**  cis58.3120.236.6-60.7166.1000112.3T389T389-L391 HydrophobicContact CG2-CD1 4.39Å
392S43.5Very low44.2Very low96 Ų96123.6 Ų123.667%0.67176%0.761SS**  cis-167.3169.11.347.90000112.2
393S47.2Very low43.7Very low109 Ų109122.3 Ų122.376%0.76276%0.758SS**  trans62.5143.7163.241.10000118.8
394S51Low42.9Very low107 Ų107125.2 Ų125.275%0.74876%0.762SS**  cis-169.2146.4-10.445.80000111.6
395S45.9Very low42.4Very low113 Ų113129 Ų12979%0.7976%0.764SS**  trans32.6134.8149.7-124.90000121.1
396S50.1Low41.8Very low96 Ų96126.5 Ų126.567%0.67176%0.758SS**  cis-156.3143.117.3-460000112.9
397K50.3Low41.6Very low178 Ų178128.4 Ų128.477%0.77476%0.762SS**  trans30.3106.6143.7-59.5-171-179.5-174.40118.6
398E40.7Very low41.5Very low171 Ų171131.5 Ų131.580%0.79976%0.755SS**  85137.693.1-77.8168.216600113.1
399V37.8Very low41.1Very low126 Ų126133.9 Ų133.976%0.76476%0.76SS**  cis-133.9133.218.8173.50000112.5
400V37.3Very low40.8Very low135 Ų135134.1 Ų134.182%0.81876%0.761SS**  trans30127.6152.8-174.80000121.1
401V35.7Very low40.5Very low137 Ų137134.5 Ų134.583%0.8375%0.753SS**  trans-122.4157.1169.1170.40000112
402S35.3Very low40Very low94 Ų94133 Ų13366%0.65775%0.752SS**  trans-53.1148-173.9-41.50000119.6
403T33.4Very low39.8Very low114 Ų114136.5 Ų136.570%0.69975%0.752SS**  trans50.8138.3132.260.90000123.4
404N36.7Very low39.3Very low148 Ų148140 Ų14079%0.79175%0.75SS**  trans121.8151.1144-63-36.8000118.2
405F31.8Very low38.5Very low196 Ų196140.4 Ų140.486%0.8675%0.752SS**  trans-86.4-175-173.8-61.1-92.6000112.6
406P41.7Very low38.4Very low101 Ų101141.8 Ų141.866%0.65675%0.748SS**  -128.2179-56.436.9-22.6000111.4
407N38Very low37.8Very low155 Ų155142.2 Ų142.283%0.82975%0.748SS**  trans-151.5163.4152.7-140.3-26.6000114.1
408Y35.8Very low37Very low193 Ų193139.5 Ų139.576%0.75775%0.752SS**  trans-98.8158-166.9-59.6-93.7000113.3
409N36.3Very low36.8Very low153 Ų153137.8 Ų137.882%0.81875%0.748SS**  trans-138.8103.1162.5-116.9-44.9000110
410V38.7Very low36.9Very low116 Ų116140 Ų14070%0.70375%0.75SS**  trans-126.7117.1167.5177.20000106P412V410-P412 VanDerWaalsContact O-CD 3.24Å; V410-P412 WeakPolarHBondContact O-CD 3.36Å
411H36.2Very low36.7Very low142 Ų142140.8 Ų140.866%0.65775%0.748SS**  trans-108.797.4-168.2-160.1-82.9000109.8Y413H411-Y413 AromaticContact CE1-CD2 3.34Å; H411-Y413 WeakPolarHBondContact CE1-CD2 3.31Å; H411-Y413 AromaticContact CE1-CE2 3.5Å; H411-Y413 AromaticContact ND1-CD2 3.52Å
412P37.3Very low36.5Very low114 Ų114139.5 Ų139.574%0.7475%0.745SS**  trans-83.2123.4176.832.9-31.9000109.8V410V410-P412 VanDerWaalsContact O-CD 3.24Å; V410-P412 WeakPolarHBondContact O-CD 3.36Å
413Y37.7Very low36.3Very low169 Ų169143.5 Ų143.566%0.66375%0.751SS**  trans-137.6147.5172.3-113.7-98000111H411H411-Y413 AromaticContact CE1-CD2 3.34Å; H411-Y413 WeakPolarHBondContact CE1-CD2 3.31Å; H411-Y413 AromaticContact CE1-CE2 3.5Å; H411-Y413 AromaticContact ND1-CD2 3.52Å
414Y37.6Very low36.7Very low182 Ų182145.8 Ų145.871%0.71476%0.756SS**  trans66.983.7179.3-59.1-66.9000117.1M416Y414-M416 HydrophobicContact CD1-CE 3.9Å
415S33.9Very low36.5Very low115 Ų115146 Ų14680%0.80475%0.752SS**  -48.6147.2128.9-48.40000110.8
416M44.3Very low36.8Very low142 Ų142147.6 Ų147.670%0.775%0.752SS**  trans-138.9145.5164.6-81.1-74.711300108.4Y414Y414-M416 HydrophobicContact CD1-CE 3.9Å
417P36.8Very low36.3Very low105 Ų105149.2 Ų149.268%0.68276%0.755SS**  trans-67.8170.6-179.7-17.832.5000113.1
418S34Very low36.4Very low121 Ų121148.7 Ų148.785%0.84676%0.758SS**  trans-124.975.4178.8-66.70000110.6
419D37.2Very low36.5Very low136 Ų136144.9 Ų144.973%0.72776%0.755SS**  trans-129.6151.5-178.4-69.4-70.8000112
420H38.3Very low36.6Very low172 Ų172144.6 Ų144.680%0.79675%0.753SS**  trans57.592.3172.5-83.1-89.3000119.8
421I34.2Very low36.4Very low151 Ų151145.1 Ų145.177%0.77475%0.752SS**  21.4117.2114.4-52.1169000116.5
422S31.6Very low36.5Very low111 Ų111144.7 Ų144.778%0.77676%0.755SS**  -173.3142.4128-84.80000113.7
423F31.7Very low36.7Very low177 Ų177145.8 Ų145.878%0.77675%0.754SS**  trans-66.3135165.3-97.3-117.4000110.7
424M40.8Very low36.7Very low163 Ų163145.5 Ų145.580%0.80376%0.763SS**  trans-145.591.2155.7-87.2-61.6143.400110.5
425H33.3Very low37Very low152 Ų152147.1 Ų147.170%0.70479%0.791SS**  trans-62.8133156.9-87.9-107.7000108.7
426R37.5Very low37.2Very low229 Ų229148.7 Ų148.786%0.86479%0.79SS**  trans-119.4102.7163.4-77.9-165.2172.4-160.4-2.4109.8
427N31.4Very low36.8Very low136 Ų136149.1 Ų149.173%0.72780%0.795SS**  trans-64151.7170.1-61.5-17.9000110.1
428T40.7Very low36.8Very low144 Ų144151.5 Ų151.588%0.88380%0.801SS**  trans-126.7113.116150.90000108
429T36Very low37Very low112 Ų112153.3 Ų153.369%0.68780%0.798SS**  trans-90.4148.2-171.746.90000112.9
430N39.7Very low37Very low148 Ų148154.4 Ų154.479%0.79180%0.803SS**  trans-162.2117144.7-92.2-21.2000105.4
431N34.4Very low36.9Very low127 Ų127153.2 Ų153.268%0.67980%0.803SS**  73.7107.866.5-67.19.2000112
432N37.7Very low37.1Very low133 Ų133153.4 Ų153.471%0.71181%0.805SS**  -176.9142.3112.1-103.144.4000113.7
433D42.2Very low37.5Very low136 Ų136156.6 Ų156.673%0.72781%0.808SS**  trans61.8101.6144.3-44.1-24.2000122.9
434I36.8Very low38Very low164 Ų164154.9 Ų154.984%0.84181%0.81SS**  trans-140.8125.4134.6-71.3-169.4000108.2
435V45.6Very low37.7Very low215 Ų215154.2 Ų154.2100%1.30381%0.811SS**  trans60.20178.4-178.10000115.8

Retrieved 435 of 435 residues in 158.2 ms (Link to these results)