A0A087YRK4_POEFO Loading...

Sprouty RTK signaling antagonist 3

AlphaFold DB , UniProt , Accession A0A087YRK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 294 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
1M36.9Very low36.9Very low247 Ų247169.7 Ų169.7100%1.21783%0.832SS**  0111.80-86.1171176.400107.6
2E34.3Very low37.5Very low171 Ų171168.4 Ų168.480%0.79983%0.832SS**  trans-54.4162.6158.9-52.2168.2100.400109.3
3H32.6Very low38.5Very low140 Ų140165.2 Ų165.265%0.64884%0.835SS**  cis-172.9138.243.4-130.9-80000109.5
4T36Very low39.9Very low106 Ų106162.6 Ų162.665%0.6583%0.832SS**  trans56.9116.2138.339.70000125.3
5H39.5Very low41.5Very low189 Ų189157.9 Ų157.988%0.87581%0.808SS**  26133.8116.5-80.5-104.4000120.5
6S32.5Very low43.1Very low113 Ų113152 Ų15279%0.7979%0.786SS**  -173.7117.7112.7-163.90000112.6
7L40.4Very low44Very low173 Ų173149.8 Ų149.891%0.90678%0.775SS**  trans-77.1119.6163-84.1161.6000108
8R33.6Very low45.1Very low241 Ų241147 Ų14791%0.90976%0.761SS**  trans-98.1102.2175.7-174.1154.4142-158.4-6.5109.6E10R8-E10 PolarHBondContact O-N 3.36Å
9N33.5Very low46.2Very low127 Ų127144.6 Ų144.668%0.67975%0.746SS**  trans-52.4123.2163.5-11019.6000109.8Q11N9-Q11 PolarHBondContact O-N 3.11Å
10E44.6Very low47.3Very low202 Ų202140.9 Ų140.994%0.94473%0.727SS**  trans-72.1101.2153.6-90.6-177.584.400107.4R8R8-E10 PolarHBondContact O-N 3.36Å
11Q42.2Very low48.1Very low158 Ų158141.2 Ų141.274%0.73872%0.719SS**  trans-95.3111166.5-97.1164.5-16.500108N9 S13N9-Q11 PolarHBondContact O-N 3.11Å; Q11-S13 PolarHBondContact O-N 3.15Å
12D44.4Very low49.4Very low154 Ų154134.3 Ų134.382%0.82469%0.691SS**  trans-44.8119.5159.5-85.4-48.5000109.3V14D12-V14 VanDerWaalsContact C-N 3.26Å; D12-V14 PolarHBondContact O-N 3.2Å
13S50.2Low50.8Low126 Ų126131.7 Ų131.788%0.88168%0.681SS**  trans-67.588.1172-94.60000109.1Q11 L15Q11-S13 PolarHBondContact O-N 3.15Å; S13-L15 PolarHBondContact O-N 3.21Å
14V57.8Low52.1Low129 Ų129134.6 Ų134.678%0.78269%0.686SS**  trans-67.8113.5167.3-177.60000107.4D12 S16D12-V14 VanDerWaalsContact C-N 3.26Å; D12-V14 PolarHBondContact O-N 3.2Å; V14-S16 PolarHBondContact O-N 2.79Å
15L64Low53Low92 Ų92133.2 Ų133.248%0.48269%0.686SS.*  trans-49.2135.5173-78.6141.9000110.3S13 Q19 I20S13-L15 PolarHBondContact O-N 3.21Å; L15-Q19 HydrophobicContact CD2-CB 4.3Å; L15-Q19 HydrophobicContact CD2-CG 3.98Å; L15-Q19 VanDerWaalsContact CD2-OE1 3.31Å; L15-I20 HydrophobicContact CB-CG1 4.24Å
16S66.8Low53.4Low64 Ų64130.3 Ų130.345%0.44868%0.677SS.*  trans-63.8151.1-178.180.30000111V14 D18 Q19 I20V14-S16 PolarHBondContact O-N 2.79Å; S16-D18 PolarHBondContact O-N 3.47Å; S16-D18 VanDerWaalsContact O-N 3.13Å; S16-Q19 WeakPolarHBondContact O-CA 3.44Å; S16-Q19 VanDerWaalsContact O-CB 3.3Å; S16-Q19 WeakPolarHBondContact O-CB 3.3Å; S16-Q19 PolarHBondContact O-N 3.34Å; S16-Q19 PolarHBondContact OG-N 2.84Å; S16-I20 PolarHBondContact O-N 3.1Å; S16-I20 VanDerWaalsContact O-N 3.13Å
17L58.6Low54.4Low115 Ų115129.8 Ų129.860%0.60267%0.665SS**Hα-helixtrans-59.3-28.9-176.3-135.4148.3000112.2R21L17-R21 WeakPolarHBondContact O-CG 3.41Å; L17-R21 PolarHBondContact O-N 2.07Å; L17-R21 VanDerWaalsContact O-N 3.12Å
18D63Low55Low99 Ų99128 Ų12853%0.52966%0.656SS.*Hα-helixtrans-73.6-34.4175.2-62.8-37.2000112S16 R21 T22S16-D18 PolarHBondContact O-N 3.47Å; S16-D18 VanDerWaalsContact O-N 3.13Å; D18-R21 PolarHBondContact O-N 3.19Å; D18-R21 IonicContact OD1-CZ 3.38Å; D18-R21 IonicContact OD1-NH1 2.69Å; D18-R21 PolarHBondContact OD1-NH1 3.44Å; D18-T22 PolarHBondContact O-N 3.35Å; D18-T22 PolarHBondContact O-OG1 3.11Å
19Q67.1Low55.8Low101 Ų101127.5 Ų127.547%0.47266%0.656SS.*Hα-helixtrans-66.6-39.3175.2-140.5168.8-10.300111.4L15 S16 T22 I23L15-Q19 HydrophobicContact CD2-CB 4.3Å; L15-Q19 HydrophobicContact CD2-CG 3.98Å; L15-Q19 VanDerWaalsContact CD2-OE1 3.31Å; S16-Q19 WeakPolarHBondContact O-CA 3.44Å; S16-Q19 VanDerWaalsContact O-CB 3.3Å; S16-Q19 WeakPolarHBondContact O-CB 3.3Å; S16-Q19 PolarHBondContact O-N 3.34Å; S16-Q19 PolarHBondContact OG-N 2.84Å; Q19-T22 PolarHBondContact O-N 3.33Å; Q19-I23 WeakPolarHBondContact O-CD1 3.05Å; Q19-I23 VanDerWaalsContact O-CG1 3.26Å; Q19-I23 WeakPolarHBondContact O-CG1 3.26Å; Q19-I23 PolarHBondContact O-N 2.93Å; Q19-I23 VanDerWaalsContact O-N 3.13Å
20I67.4Low56.5Low70 Ų70126.7 Ų126.736%0.35966%0.656SS.*Hα-helixtrans-67.2-37.7175.6-61.4165.8000111.1L15 S16 R24L15-I20 HydrophobicContact CB-CG1 4.24Å; S16-I20 PolarHBondContact O-N 3.1Å; S16-I20 VanDerWaalsContact O-N 3.13Å; I20-R24 PolarHBondContact O-N 3.41Å; I20-R24 VanDerWaalsContact O-N 3.11Å
21R65.3Low56.5Low148 Ų148123.8 Ų123.856%0.55865%0.647SS**Hα-helixtrans-67.3-41.2175.2-75.8-174-146.8134.83.6112.1L17 D18 I23 R24 A25L17-R21 WeakPolarHBondContact O-CG 3.41Å; L17-R21 PolarHBondContact O-N 2.07Å; L17-R21 VanDerWaalsContact O-N 3.12Å; D18-R21 PolarHBondContact O-N 3.19Å; D18-R21 IonicContact OD1-CZ 3.38Å; D18-R21 IonicContact OD1-NH1 2.69Å; D18-R21 PolarHBondContact OD1-NH1 3.44Å; R21-I23 VanDerWaalsContact C-N 3.33Å; R21-I23 PolarHBondContact O-N 3.24Å; R21-R24 PolarHBondContact O-N 3.29Å; R21-A25 WeakPolarHBondContact O-CB 3.32Å; R21-A25 PolarHBondContact O-N 2.88Å
22T63.5Low56.5Low103 Ų103126.7 Ų126.763%0.63265%0.651SS**Hα-helixtrans-64.1-39.3178.1-53.50000111.8D18 Q19 A25D18-T22 PolarHBondContact O-N 3.35Å; D18-T22 PolarHBondContact O-OG1 3.11Å; Q19-T22 PolarHBondContact O-N 3.33Å; T22-A25 PolarHBondContact O-N 2.85Å
23I62.8Low56.4Low115 Ų115124.1 Ų124.159%0.5964%0.642SS**Hα-helixtrans-67.7-38176.9-64.5163.6000111.6Q19 R21Q19-I23 WeakPolarHBondContact O-CD1 3.05Å; Q19-I23 VanDerWaalsContact O-CG1 3.26Å; Q19-I23 WeakPolarHBondContact O-CG1 3.26Å; Q19-I23 PolarHBondContact O-N 2.93Å; Q19-I23 VanDerWaalsContact O-N 3.13Å; R21-I23 VanDerWaalsContact C-N 3.33Å; R21-I23 PolarHBondContact O-N 3.24Å
24R60.5Low56.1Low201 Ų201125.1 Ų125.176%0.75864%0.643SS**Hα-helixtrans-82.1-17.1176.4-79.7-172.1-171173.84.1114.8I20 R21 N26I20-R24 PolarHBondContact O-N 3.41Å; I20-R24 VanDerWaalsContact O-N 3.11Å; R21-R24 PolarHBondContact O-N 3.29Å; R24-N26 VanDerWaalsContact C-N 3.31Å
25A55.3Low55.2Low78 Ų78121.8 Ų121.865%0.64563%0.629SS**Hα-helixtrans-74.6-25.217700000111.8R21 T22 N27R21-A25 WeakPolarHBondContact O-CB 3.32Å; R21-A25 PolarHBondContact O-N 2.88Å; T22-A25 PolarHBondContact O-N 2.85Å; A25-N27 PolarHBondContact O-N 3.16Å
26N48.3Very low54.3Low127 Ų127125.5 Ų125.568%0.67965%0.648SS**  trans-88.690.2172.6-120.97.4000109.5R24 D28R24-N26 VanDerWaalsContact C-N 3.31Å; N26-D28 VanDerWaalsContact C-N 3.33Å; N26-D28 PolarHBondContact O-N 3.08Å; N26-D28 VanDerWaalsContact O-N 3.13Å
27N52.3Low53Low103 Ų103129.7 Ų129.755%0.55166%0.661SS**  trans-80.985.4167.2-74.3-81.2000109.1A25 Y29 V30A25-N27 PolarHBondContact O-N 3.16Å; N27-Y29 PolarHBondContact O-N 2.89Å; N27-V30 HydrophobicContact CB-CG2 3.28Å; N27-V30 PolarHBondContact O-N 3.43Å
28D53.4Low51.9Low135 Ų135129.1 Ų129.172%0.72266%0.664SS**THydrogen-bonded Turntrans-59.5-17.2174-129-68.4000112.7N26N26-D28 VanDerWaalsContact C-N 3.33Å; N26-D28 PolarHBondContact O-N 3.08Å; N26-D28 VanDerWaalsContact O-N 3.13Å
29Y51.2Low50.4Low231 Ų231128.9 Ų128.991%0.90668%0.676SS**THydrogen-bonded Turntrans-81.4-10.5-178.1-110.6-89.7000115.4N27N27-Y29 PolarHBondContact O-N 2.89Å
30V48.4Very low48.8Very low110 Ų110129.3 Ų129.367%0.66769%0.69SS**THydrogen-bonded Turntrans-116.4-13.4-175.4-101.30000115.2N27N27-V30 HydrophobicContact CB-CG2 3.28Å; N27-V30 PolarHBondContact O-N 3.43Å
31D43.5Very low47.4Very low141 Ų141134.9 Ų134.975%0.75472%0.715SS**  trans-118.250.2-174.9-84.4-52.3000114P33D31-P33 VanDerWaalsContact C-CD 3.47Å; D31-P33 VanDerWaalsContact O-CD 3.22Å; D31-P33 WeakPolarHBondContact O-CD 3.27Å
32R42.2Very low45.8Very low218 Ų218133.6 Ų133.682%0.82373%0.728SS**  trans-106.187.2161.2-156.6171.6-169.4138.90.1110.5
33P41.8Very low44.1Very low100 Ų100132.4 Ų132.465%0.64974%0.736SS**  trans-62144.2154.829.3-29.9000107.3D31 A35D31-P33 VanDerWaalsContact C-CD 3.47Å; D31-P33 VanDerWaalsContact O-CD 3.22Å; D31-P33 WeakPolarHBondContact O-CD 3.27Å; P33-A35 VanDerWaalsContact C-N 3.29Å; P33-A35 PolarHBondContact O-N 2.82Å
34V44.9Very low42.7Very low148 Ų148136.4 Ų136.490%0.89775%0.749SS**  trans-56.691.8176.9176.50000109.3
35A39.3Very low41.2Very low59 Ų59137.1 Ų137.149%0.48875%0.754SS.*  trans-89.7110.9171.100000107.6P33 E37P33-A35 VanDerWaalsContact C-N 3.29Å; P33-A35 PolarHBondContact O-N 2.82Å; A35-E37 VanDerWaalsContact C-N 3.31Å; A35-E37 PolarHBondContact O-N 3.18Å; A35-E37 VanDerWaalsContact O-N 3.1Å
36L44.8Very low40Very low170 Ų170143.5 Ų143.589%0.8976%0.763SS**  trans-65.595.5156.6-82154.8000106.6
37E39.5Very low39.2Very low152 Ų152142.3 Ų142.371%0.7177%0.77SS**  trans-75.9126.7172.4-86-69.497.300109.9A35A35-E37 VanDerWaalsContact C-N 3.31Å; A35-E37 PolarHBondContact O-N 3.18Å; A35-E37 VanDerWaalsContact O-N 3.1Å
38P36Very low38.1Very low102 Ų102145.2 Ų145.266%0.66278%0.781SS**  trans-74.6132.9166.525.9-21.3000109.4S40P38-S40 PolarHBondContact O-N 2.96Å
39A30.9Very low37.2Very low95 Ų95146.4 Ų146.479%0.78578%0.782SS**  trans-54.3107.1178.900000111.8Q41A39-Q41 PolarHBondContact O-N 3.04Å
40S32.8Very low36.3Very low109 Ų109142.8 Ų142.876%0.76278%0.778SS**  trans-77.693166.452.50000109.1P38P38-S40 PolarHBondContact O-N 2.96Å
41Q39.4Very low35.4Very low188 Ų188147.1 Ų147.188%0.87978%0.782SS**  trans-86.6109.9164.9-76.4-173.914.200109.6A39A39-Q41 PolarHBondContact O-N 3.04Å
42S31.8Very low34.9Very low121 Ų121148 Ų14885%0.84679%0.785SS**  trans-151.8117.4155.559.60000109.3
43G27.4Very low34.4Very low77 Ų77141.7 Ų141.779%0.79477%0.771SS**  trans16570.7174.100000114.7
44F32.2Very low34Very low199 Ų199147.8 Ų147.887%0.87378%0.783SS**  trans-43.4134.7161.8-94.7-107.2000113.4
45Y29.4Very low33.4Very low217 Ų217145 Ų14585%0.85177%0.77SS**  trans-149.9120.6143.7-94.4-83.5000112.1
46Y31Very low33.1Very low211 Ų211151.5 Ų151.583%0.82779%0.79SS**  trans41.2116.6154.7-78.9-97.8000122.7
47A31.6Very low32.5Very low102 Ų102151.8 Ų151.884%0.84379%0.786SS**  trans-62129.5155.800000111.2
48H29.8Very low32.9Very low165 Ų165148.7 Ų148.776%0.76478%0.779SS**  trans-118.1110.9154.3-163.8-64.7000106.8D50H48-D50 IonicContact CE1-OD2 3.89Å; H48-D50 PolarHBondContact O-N 2.85Å
49E33.6Very low32.7Very low160 Ų160152.4 Ų152.475%0.74879%0.788SS**  trans-56.2130165.9-91.4-174.887.300108.9
50D31.8Very low33.6Very low154 Ų154152.5 Ų152.582%0.82478%0.78SS**  trans-142.5111.9139.2-101.5-39.9000110H48H48-D50 IonicContact CE1-OD2 3.89Å; H48-D50 PolarHBondContact O-N 2.85Å
51R30.1Very low33.4Very low201 Ų201152.3 Ų152.376%0.75878%0.779SS**  trans-91.4104-174.2170.7-173.9146.9166.4-3.3107.6V53R51-V53 HydrophobicContact CG-CG2 4.21Å
52I33.2Very low32.9Very low160 Ų160147.5 Ų147.582%0.82177%0.766SS**  trans-116.4111.8154.5-62.1-165.2000109.4
53V31.9Very low32.8Very low86 Ų86150.7 Ų150.752%0.52177%0.765SS.*  trans-69.1126176.4167.50000109.4R51R51-V53 HydrophobicContact CG-CG2 4.21Å
54Y32.2Very low33Very low227 Ų227152.7 Ų152.789%0.8977%0.767SS**  trans-150.6120.8135-87.7-69.6000110.2
55S32.7Very low33Very low91 Ų91148.8 Ų148.864%0.63677%0.765SS**  trans-60.5143.4172.2-59.60000112.3
56H32.8Very low33.2Very low195 Ų195143.4 Ų143.490%0.90377%0.765SS**  -177.4135.5111.8-94.9-71.9000111.5
57H33.1Very low33.3Very low175 Ų175141.2 Ų141.281%0.8177%0.767SS**  trans-93.6-173.4178.1-156.913.4000109.3
58P46.7Very low33.2Very low88 Ų88141.7 Ų141.757%0.57176%0.764SS**  -121.8-172.5-101.744.2-29.5000115.4
59Q32.4Very low33.2Very low180 Ų180144.7 Ų144.784%0.84177%0.768SS**  trans101.7153148.1-77.4-81-4100119.6
60P49Very low33.2Very low96 Ų96142.1 Ų142.162%0.62377%0.768SS**  trans-114.1172.1-148.744.7-36.4000113.4
61S29.3Very low33.3Very low106 Ų106144 Ų14474%0.74177%0.772SS**  trans173.7110.7153.4190000107.5
62S28.9Very low33.4Very low86 Ų86139.2 Ų139.260%0.60177%0.769SS**  75.913890.760.30000115.8
63F30.7Very low33.4Very low188 Ų188140.1 Ų140.183%0.82577%0.77SS**  trans83.9105164.3-48.1-72.6000118.3
64S31.2Very low33.4Very low119 Ų119144 Ų14483%0.83278%0.782SS**  167.213293.8-81.10000112.7
65S31.8Very low33.5Very low118 Ų118140.5 Ų140.583%0.82577%0.774SS**  trans-61.6144.8167.636.60000114.5
66A33.3Very low33.4Very low104 Ų104144.2 Ų144.286%0.8678%0.781SS**  trans-157.2117.9144.200000111.6
67L34.2Very low33.3Very low165 Ų165138.9 Ų138.986%0.86477%0.771SS**  trans-66.2147.7163.8-108.469.4000111.2
68S28.9Very low33.2Very low111 Ų111140.2 Ų140.278%0.77678%0.777SS**  159.9118.1128.3-780000110.1
69R29.9Very low32.6Very low229 Ų229143.5 Ų143.586%0.86479%0.789SS**  90.9105.875-164.6177-168.1163.62.9112
70S33.7Very low32.7Very low106 Ų106140 Ų14074%0.74179%0.791SS**  trans11.9129.9144.210.90000120.1
71Q32.8Very low32Very low193 Ų193142.4 Ų142.490%0.90279%0.794SS**  trans-156.5141.4137.9-135.3178.355.600113.2
72S32.4Very low32.2Very low101 Ų101145.1 Ų145.171%0.70680%0.799SS**  trans-91149.5177.157.40000112.9
73Q33.9Very low32.4Very low178 Ų178145.2 Ų145.283%0.83280%0.8SS**  trans-176.1111.4143.5-109.1171.53.200107.4
74Q32Very low32.6Very low168 Ų168148.4 Ų148.479%0.78581%0.806SS**  82.6134.868.8-146.2177.31.100114
75Q33.3Very low32.8Very low154 Ų154148.1 Ų148.172%0.7280%0.804SS**  trans89.6139.6164.7-61.4-176.1-900117.3
76H30.6Very low33Very low169 Ų169147.5 Ų147.578%0.78280%0.8SS**  cis-155.9168.58.5-112.6-61.3000110.8
77A31.2Very low33.2Very low83 Ų83148.6 Ų148.669%0.68680%0.796SS**  trans-78159.8-169.100000116.7
78H31.7Very low33.2Very low202 Ų202147.7 Ų147.794%0.93580%0.797SS**  trans-154.4132.8137.5-114.3-83.9000112.4
79L33.6Very low33.5Very low157 Ų157147.8 Ų147.882%0.82280%0.798SS**  trans-96.6137.7-177.2-131150.9000108.7
80A34.9Very low33.7Very low107 Ų107142.6 Ų142.688%0.88480%0.797SS**  trans-153.6122.9156.300000110.6
81H32.8Very low33.7Very low147 Ų147143.3 Ų143.368%0.68180%0.802SS**  trans-122.3136.1-176.7175.4-83.8000107.2
82L34.1Very low33.9Very low162 Ų162141.5 Ų141.585%0.84880%0.796SS**  trans170.899.8155.8-92.5140000107.5
83S34Very low34Very low89 Ų89141.5 Ų141.562%0.62280%0.796SS**  59.5109.880.5-63.50000115.9
84R34.9Very low34.1Very low255 Ų255145 Ų14596%0.96280%0.802SS**  trans-163.2119.5136.6-133.5169.3171.7164-3.4113.2
85S33.8Very low34.4Very low112 Ų112143.2 Ų143.278%0.78380%0.803SS**  trans-87.3164.4168.5-61.50000112.3
86S36.8Very low34.5Very low106 Ų106141.5 Ų141.574%0.74181%0.808SS**  trans165.3107.3133.4-67.10000109.8
87T37Very low34.6Very low126 Ų126137.6 Ų137.677%0.77380%0.804SS**  61.2133.1100.860.80000114.7
88V35.2Very low34.7Very low147 Ų147140 Ų14089%0.89181%0.811SS**  -164.5158.163.4-127.30000113.3
89S34.3Very low34.9Very low113 Ų113134.8 Ų134.879%0.7980%0.797SS**  trans-89.3164.4-176.7-44.50000116.1
90S34.3Very low35Very low120 Ų120135.1 Ų135.184%0.83980%0.8SS**  trans157.4148137500000108.9
91S33.6Very low35.1Very low121 Ų121138.2 Ų138.285%0.84680%0.796SS**  cis-164.9170.624.145.20000112.1
92I37.1Very low35.4Very low155 Ų155142.6 Ų142.680%0.79581%0.807SS**  trans-76.3151.9-171.5-109.9157.3000116.4
93S34.2Very low35.6Very low101 Ų101142.3 Ų142.371%0.70681%0.805SS**  trans31.6141.1149.8-45.30000123.6
94R37.5Very low35.9Very low251 Ų251145.9 Ų145.995%0.94782%0.816SS**  trans-164.6132.7131.9-106.4175.1-85.1-168.9-1.5112.5
95T37.5Very low35.8Very low130 Ų130138.6 Ų138.680%0.79881%0.811SS**  trans-91.9161.9169.943.70000111.3
96S34.9Very low35.7Very low119 Ų119136.5 Ų136.583%0.83281%0.807SS**  trans94.9149.5153-55.30000121.4
97A33.2Very low35.5Very low86 Ų86139.5 Ų139.571%0.71181%0.814SS**  trans92.4101171.700000115.5
98T33.7Very low35.8Very low133 Ų133139.8 Ų139.882%0.81682%0.815SS**  62125.363.574.90000116
99S34.5Very low35.9Very low94 Ų94138.5 Ų138.566%0.65781%0.81SS**  trans80.6112154.6-163.40000118.4
100D36.4Very low36Very low164 Ų164138 Ų13888%0.87781%0.807SS**  -146.7124.9109.1-100.9-30.3000112.4
101Q37.3Very low36Very low172 Ų172140.8 Ų140.880%0.80481%0.806SS**  trans-93.6133.2166.6-62.517421.500108.1
102R38.5Very low36.1Very low238 Ų238140.7 Ų140.790%0.89881%0.806SS**  trans170.6112.8148-101.3173.7168.4-155-3.2104.5
103L38.2Very low35.9Very low157 Ų157136.8 Ų136.882%0.82280%0.803SS**SBend-147.2117.672-73.4165.2000111.8
104L40Very low36.4Very low163 Ų163142.2 Ų142.285%0.85381%0.814SS**  trans61.3106.6142.7-63.5167.8000120.2
105A33.2Very low36.5Very low102 Ų102135.3 Ų135.384%0.84381%0.805SS**  trans-76.1161.9156.300000112.9
106G32.3Very low36.6Very low68 Ų68133.6 Ų133.670%0.70180%0.798SS**  trans96.3130.515800000112.9
107L31.8Very low36.9Very low169 Ų169134.1 Ų134.189%0.88580%0.796SS**  cis-158.6139.336.8-66.9165.1000110.1
108T43.1Very low37.3Very low132 Ų132136 Ų13681%0.8179%0.793SS**  trans-66.6142.9149.1510000108.8
109P37.5Very low37.5Very low120 Ų120137.6 Ų137.678%0.77979%0.791SS**  -142145.2107.217.74000114.5
110S37.4Very low37.9Very low103 Ų103137.5 Ų137.572%0.7279%0.79SS**  trans-60.1144167-50.40000112
111H33.5Very low38.5Very low178 Ų178137.7 Ų137.782%0.82479%0.786SS**  161.5124126.7-90-81.1000112.5
112S36.7Very low38.7Very low120 Ų120135.4 Ų135.484%0.83979%0.785SS**  trans56.4117.4150.557.70000121.1
113G33.3Very low38.9Very low72 Ų72133.2 Ų133.274%0.74278%0.782SS**  trans160.180.6157.400000115.1
114F45Very low38.7Very low215 Ų215129.3 Ų129.394%0.94378%0.78SS**  trans8.8108.1154.1-64.8-91.3000119.2
115S37.6Very low38.4Very low106 Ų106129.4 Ų129.474%0.74178%0.776SS**  -163.8100.1124.6-170.30000108.4V117S115-V117 PolarHBondContact O-N 2.8Å; S115-V117 VanDerWaalsContact O-N 3.13Å
116S41.3Very low39Very low94 Ų94133 Ų13366%0.65778%0.78SS**  trans-68.5105.1166.562.90000107.7I118S116-I118 PolarHBondContact O-N 2.72Å
117V39.4Very low38.9Very low130 Ų130137.6 Ų137.679%0.78878%0.781SS**  trans-73.486158.6176.70000106.3S115 H119S115-V117 PolarHBondContact O-N 2.8Å; S115-V117 VanDerWaalsContact O-N 3.13Å; V117-H119 PolarHBondContact O-N 2.95Å; V117-H119 VanDerWaalsContact O-N 3.13Å
118I42.4Very low39.2Very low126 Ų126134.8 Ų134.865%0.64678%0.775SS**  trans-67.9100.3167.4-63179.7000105.9S116 S120S116-I118 PolarHBondContact O-N 2.72Å; I118-S120 PolarHBondContact O-N 3.37Å
119H39Very low38.5Very low167 Ų167134.7 Ų134.777%0.77377%0.77SS**  trans-86.878.2158.1-144.3-69.2000107V117 Q121V117-H119 PolarHBondContact O-N 2.95Å; V117-H119 VanDerWaalsContact O-N 3.13Å; H119-Q121 PolarHBondContact O-N 3.48Å
120S41.3Very low38.4Very low91 Ų91135.1 Ų135.164%0.63677%0.771SS**  trans-63.3104.1166.747.70000107.5I118I118-S120 PolarHBondContact O-N 3.37Å
121Q49.5Very low38.6Very low169 Ų169134 Ų13479%0.7976%0.763SS**  trans-57.7136.7160.7-82.5-171.3-63.300108.2H119 K123H119-Q121 PolarHBondContact O-N 3.48Å; Q121-K123 PolarHBondContact O-N 3.34Å
122P41.7Very low38.6Very low123 Ų123134.5 Ų134.580%0.79976%0.763SS**  trans-61117.4164.625.1-29.7000107.5G124P122-G124 VanDerWaalsContact C-N 3.35Å; P122-G124 PolarHBondContact O-N 2.98Å
123K42.1Very low38.4Very low193 Ų193132.6 Ų132.684%0.83976%0.762SS**  trans-62.199.6170-169.7153.5-179.9170.40106.6Q121 E125Q121-K123 PolarHBondContact O-N 3.34Å; K123-E125 VanDerWaalsContact C-N 3.32Å; K123-E125 PolarHBondContact O-N 2.99Å
124G33.5Very low38.6Very low75 Ų75138.6 Ų138.677%0.77377%0.767SS**  trans-65.695.1172.900000108.4P122 L126P122-G124 VanDerWaalsContact C-N 3.35Å; P122-G124 PolarHBondContact O-N 2.98Å; G124-L126 PolarHBondContact O-N 3.23Å
125E34.4Very low37.9Very low165 Ų165131.7 Ų131.777%0.77176%0.757SS**  trans-61.9123.7169.8-66.8-173.9138.700108.8K123 K127K123-E125 VanDerWaalsContact C-N 3.32Å; K123-E125 PolarHBondContact O-N 2.99Å; E125-K127 PolarHBondContact O-N 3.08Å
126L45.3Very low38Very low176 Ų176134.1 Ų134.192%0.92176%0.761SS**  trans-47.2105.2162.9179.771000109.2G124G124-L126 PolarHBondContact O-N 3.23Å
127K31.6Very low37.9Very low166 Ų166136 Ų13672%0.72277%0.768SS**  trans-131.1102.2166.4-135.6166.3-173.4168.40107E125 N129E125-K127 PolarHBondContact O-N 3.08Å; K127-N129 VanDerWaalsContact C-N 3.35Å; K127-N129 VanDerWaalsContact CB-OD1 3.22Å; K127-N129 WeakPolarHBondContact CB-OD1 3.42Å; K127-N129 WeakPolarHBondContact CG-OD1 3.5Å; K127-N129 PolarHBondContact O-N 2.91Å; K127-N129 PolarHBondContact O-OD1 2.8Å
128S38.2Very low38.2Very low110 Ų110135.7 Ų135.777%0.76976%0.763SS**  trans-68.596.2169.761.60000107.4T130S128-T130 PolarHBondContact O-N 3.29Å
129N28.1Very low38.5Very low129 Ų129137.5 Ų137.569%0.6977%0.768SS**  trans-9990.4179.4-551.2000107.6K127K127-N129 VanDerWaalsContact C-N 3.35Å; K127-N129 VanDerWaalsContact CB-OD1 3.22Å; K127-N129 WeakPolarHBondContact CB-OD1 3.42Å; K127-N129 WeakPolarHBondContact CG-OD1 3.5Å; K127-N129 PolarHBondContact O-N 2.91Å; K127-N129 PolarHBondContact O-OD1 2.8Å
130T35.7Very low39.1Very low130 Ų130137.3 Ų137.380%0.79877%0.768SS**  trans-48.4133.5160.2-46.80000110.8S128S128-T130 PolarHBondContact O-N 3.29Å
131S41.3Very low39.7Very low80 Ų80134.7 Ų134.756%0.55975%0.752SS**  trans81.1122.3151.2-155.70000119.7
132F32.5Very low40.3Very low188 Ų188131.9 Ų131.983%0.82574%0.738SS**  176.2100.392.8-106.3-80.9000110.6
133G32.9Very low42Very low79 Ų79129.7 Ų129.781%0.81472%0.717SS**  trans-126.7105.6161.500000107.5G135G133-G135 PolarHBondContact O-N 2.84Å
134K38.2Very low43.8Very low198 Ų198122.3 Ų122.386%0.86169%0.687SS**  trans-77.4106.4-164.7-165.9171177.7-176.60111
135G29Very low46.2Very low70 Ų70123.4 Ų123.472%0.72267%0.671SS**  trans-137.2133.2163.400000108.2G133G133-G135 PolarHBondContact O-N 2.84Å
136L40.5Very low48.7Very low157 Ų157116.4 Ų116.482%0.82264%0.638SS**  trans-79.1127.5-159.3-67154000112.1
137T40.1Very low50.8Low133 Ų133108 Ų10882%0.81659%0.594SS**SBendtrans48.182.9152.556.40000117.9
138D44.5Very low53.5Low125 Ų125106.1 Ų106.167%0.66859%0.588SS**  trans-153.57.4153-150.524.2000115E140 A141D138-E140 PolarHBondContact O-N 3.44Å; D138-A141 WeakPolarHBondContact O-CB 2.89Å; D138-A141 PolarHBondContact O-N 3.35Å; D138-A141 WeakPolarHBondContact OD1-CB 3.37Å
139E49.5Very low55.8Low163 Ų163108.6 Ų108.676%0.76258%0.581SS**THydrogen-bonded Turntrans-79.4-14.3-169.4-65.6-94.2114.600114.4A141E139-A141 VanDerWaalsContact C-N 3.26Å
140E50.3Low58.6Low164 Ų164104.7 Ų104.777%0.76656%0.563SS**THydrogen-bonded Turntrans-85.3-1.4173.5-80.5-17593.100112.5D138 L144D138-E140 PolarHBondContact O-N 3.44Å; E140-L144 WeakPolarHBondContact O-CD1 3.46Å
141A54.3Low60.9Low36 Ų36100.9 Ų100.930%0.29855%0.55SS..  trans-93.4-10.7-174.100000114.7D138 E139 H143 L144D138-A141 WeakPolarHBondContact O-CB 2.89Å; D138-A141 PolarHBondContact O-N 3.35Å; D138-A141 WeakPolarHBondContact OD1-CB 3.37Å; E139-A141 VanDerWaalsContact C-N 3.26Å; A141-H143 VanDerWaalsContact C-N 3.31Å; A141-H143 PolarHBondContact O-N 2.94Å; A141-H143 VanDerWaalsContact O-N 3.14Å; A141-L144 HydrophobicContact CB-CD1 4.23Å; A141-L144 WeakPolarHBondContact O-CD1 3.31Å; A141-L144 PolarHBondContact O-N 3.43Å
142E63.3Low63.1Low109 Ų109102.9 Ų102.951%0.50955%0.545SS..THydrogen-bonded Turntrans-73.7-16-157.7-64.2-161.6133.600115.4C155E142-C155 WeakPolarHBondContact O-CB 3.49Å; E142-C155 PolarHBondContact O-SG 3.42Å
143H76.6Confident65.8Low78 Ų7894.6 Ų94.636%0.36151%0.51SS..THydrogen-bonded Turntrans-122.114.5-179.9-65.7-60.2000115.4A141 F145 C153 C155 C158 I273A141-H143 VanDerWaalsContact C-N 3.31Å; A141-H143 PolarHBondContact O-N 2.94Å; A141-H143 VanDerWaalsContact O-N 3.14Å; H143-F145 PolarHBondContact O-N 2.86Å; H143-C153 VanDerWaalsContact CA-SG 3.59Å; H143-C153 PolarHBondContact O-SG 3Å; H143-C155 PolarHBondContact CE1-SG 3.06Å; H143-C155 PolarHBondContact ND1-SG 3.25Å; H143-C158 PolarHBondContact CE1-SG 2.64Å; H143-C158 PolarHBondContact ND1-SG 3.15Å; H143-I273 HydrophobicContact CB-CD1 4Å; H143-I273 WeakPolarHBondContact O-CD1 3.47Å
144L79.3Confident68.5Low38 Ų3893.6 Ų93.620%0.19948%0.483CS..  trans-73.9-21.7-173.7-74.593.1000115.5E140 A141 I146 V269 C270 R271 K272E140-L144 WeakPolarHBondContact O-CD1 3.46Å; A141-L144 HydrophobicContact CB-CD1 4.23Å; A141-L144 WeakPolarHBondContact O-CD1 3.31Å; A141-L144 PolarHBondContact O-N 3.43Å; L144-I146 PolarHBondContact O-N 3.21Å; L144-I146 VanDerWaalsContact O-N 3.08Å; L144-V269 VanDerWaalsContact O-O 3.08Å; L144-C270 WeakPolarHBondContact O-CA 3.41Å; L144-R271 VanDerWaalsContact CA-O 3.27Å; L144-R271 WeakPolarHBondContact CA-O 3.42Å; L144-R271 WeakPolarHBondContact CB-O 3.26Å; L144-R271 WeakPolarHBondContact CG-O 3.3Å; L144-R271 PolarHBondContact O-N 3.07Å; L144-K272 HydrophobicContact CD2-CB 3.98Å; L144-K272 HydrophobicContact CD2-CG 4.35Å
145F84.1Confident70.8Confident98 Ų9885 Ų8543%0.4345%0.448SS..EExtended strand (participates in β ladder)trans-79.796.2-176.4-61.6-78.1000110.2H143 C153 K154 C270H143-F145 PolarHBondContact O-N 2.86Å; F145-C153 CarbonylContact O-C 3.46Å; F145-C153 WeakPolarHBondContact O-CA 3.4Å; F145-K154 HydrophobicContact CB-CB 4.25Å; F145-K154 PolarHBondContact O-N 3.5Å; F145-C270 VanDerWaalsContact CE1-SG 3.57Å
146I88.3Confident73.3Confident17 Ų1790.2 Ų90.29%0.08745%0.453CS..EExtended strand (participates in β ladder)trans-102.4137.5178.9-59.6-57.3000110.3L144 G151 C153 T268 V269 R271 I273L144-I146 PolarHBondContact O-N 3.21Å; L144-I146 VanDerWaalsContact O-N 3.08Å; I146-G151 VanDerWaalsContact CG2-C 3.5Å; I146-G151 WeakPolarHBondContact CG2-O 3.18Å; I146-C153 HydrophobicContact CD1-CB 3.89Å; I146-T268 WeakPolarHBondContact O-CA 3.3Å; I146-V269 PolarHBondContact N-O 3.45Å; I146-V269 PolarHBondContact O-N 3.25Å; I146-R271 HydrophobicContact CG1-CB 4.41Å; I146-I273 HydrophobicContact CD1-CD1 3.7Å; I146-I273 HydrophobicContact CD1-CG1 4.45Å; I146-I273 HydrophobicContact CG1-CD1 4.27Å
147C88.9Confident75.5Confident1 Ų187.6 Ų87.61%0.00744%0.437CS..EExtended strand (participates in β ladder)trans-73.7128.2172.2174.40000111.2R149 C150 G151 R152 K154 C261 T266C147-R149 VanDerWaalsContact C-N 3.27Å; C147-R149 PolarHBondContact O-N 2.83Å; C147-R149 PolarHBondContact SG-N 3.33Å; C147-C150 WeakPolarHBondContact CB-SG 3.46Å; C147-C150 PolarHBondContact SG-N 2.84Å; C147-C150 VanDerWaalsContact SG-N 3.44Å; C147-C150 VanDerWaalsContact SG-SG 3.61Å; C147-G151 VanDerWaalsContact O-CA 3.26Å; C147-G151 WeakPolarHBondContact O-CA 3.47Å; C147-G151 PolarHBondContact O-N 3.47Å; C147-R152 PolarHBondContact N-O 2.83Å; C147-K154 HydrophobicContact CB-CG 4.21Å; C147-C261 HydrophobicContact CB-CB 3.77Å; C147-C261 WeakPolarHBondContact CB-SG 3.26Å; C147-C261 PolarHBondContact SG-SG 3.13Å; C147-T266 PolarHBondContact SG-OG1 2.94Å
148E87.9Confident77.6Confident126 Ų12682 Ų8259%0.58940%0.403SS*.THydrogen-bonded Turntrans-64.2-30.6177-64.3-176.7142.200113.7N267 V269E148-N267 WeakPolarHBondContact OE2-CB 3.48Å; E148-V269 VanDerWaalsContact CD-CG2 3.5Å; E148-V269 HydrophobicContact CG-CB 4.33Å; E148-V269 HydrophobicContact CG-CG2 3.36Å; E148-V269 WeakPolarHBondContact OE1-CG2 2.95Å
149R86.3Confident79.5Confident162 Ų16277.6 Ų77.661%0.61138%0.382SS*.THydrogen-bonded Turntrans-80.2-39.9-176.7-165.7171.476.5-162.310.6113C147 C263 S264 T266C147-R149 VanDerWaalsContact C-N 3.27Å; C147-R149 PolarHBondContact O-N 2.83Å; C147-R149 PolarHBondContact SG-N 3.33Å; R149-C263 VanDerWaalsContact CZ-CB 3.48Å; R149-C263 VanDerWaalsContact CZ-SG 3.51Å; R149-C263 PolarHBondContact NE-SG 3.13Å; R149-C263 VanDerWaalsContact NH2-CA 3.28Å; R149-C263 PolarHBondContact NH2-SG 3.42Å; R149-S264 PolarHBondContact NH1-O 3.32Å; R149-T266 HydrophobicContact CB-CG2 3.99Å; R149-T266 VanDerWaalsContact NH1-CG2 3.34Å
150C86.8Confident81.1Confident46 Ų4671.2 Ų71.231%0.31136%0.355SS..THydrogen-bonded Turntrans-113.2-11-170.3830000113.4C147 R152 C261C147-C150 WeakPolarHBondContact CB-SG 3.46Å; C147-C150 PolarHBondContact SG-N 2.84Å; C147-C150 VanDerWaalsContact SG-N 3.44Å; C147-C150 VanDerWaalsContact SG-SG 3.61Å; C150-R152 PolarHBondContact O-N 2.88Å; C150-R152 VanDerWaalsContact O-N 3.1Å; C150-R152 VanDerWaalsContact SG-CB 3.52Å; C150-R152 PolarHBondContact SG-N 3.36Å; C150-C261 WeakPolarHBondContact CB-SG 3.41Å; C150-C261 WeakPolarHBondContact SG-CB 2.97Å; C150-C261 CovalentContact SG-SG 2.07Å; C150-C261 PolarHBondContact SG-SG 3.21Å
151G84.3Confident82.6Confident51 Ų5168.2 Ų68.253%0.52635%0.35SS..  trans67.52.1-176.900000115.5I146 C147I146-G151 VanDerWaalsContact CG2-C 3.5Å; I146-G151 WeakPolarHBondContact CG2-O 3.18Å; C147-G151 VanDerWaalsContact O-CA 3.26Å; C147-G151 WeakPolarHBondContact O-CA 3.47Å; C147-G151 PolarHBondContact O-N 3.47Å
152R87.9Confident84Confident122 Ų12270.6 Ų70.646%0.4635%0.351SS..  trans-92.2153.7-178.9-55.2-179.5-178.9-155.5-1.6112.3C147 C150 P259 G260 C261C147-R152 PolarHBondContact N-O 2.83Å; C150-R152 PolarHBondContact O-N 2.88Å; C150-R152 VanDerWaalsContact O-N 3.1Å; C150-R152 VanDerWaalsContact SG-CB 3.52Å; C150-R152 PolarHBondContact SG-N 3.36Å; R152-P259 WeakPolarHBondContact CD-O 3.44Å; R152-G260 WeakPolarHBondContact CD-O 3.16Å; R152-C261 HydrophobicContact CB-CB 3.95Å
153C89.9Confident84.7Confident14 Ų1473.9 Ų73.910%0.09536%0.359CS..BIsolated β-bridgetrans-65.4143.7177.7-1690000112.1H143 F145 I146 C155 C158 G260 C261H143-C153 VanDerWaalsContact CA-SG 3.59Å; H143-C153 PolarHBondContact O-SG 3Å; F145-C153 CarbonylContact O-C 3.46Å; F145-C153 WeakPolarHBondContact O-CA 3.4Å; I146-C153 HydrophobicContact CD1-CB 3.89Å; C153-C155 PolarHBondContact SG-N 3.41Å; C153-C155 PolarHBondContact SG-SG 3.44Å; C153-C158 HydrophobicContact CB-CB 4.03Å; C153-G260 CarbonylContact O-C 3.42Å; C153-G260 WeakPolarHBondContact O-CA 3.43Å; C153-C261 PolarHBondContact O-N 3.12Å
154K87.9Confident84.8Confident58 Ų5871.3 Ų71.325%0.25235%0.348SS..  trans-107.22.1177.8-67.5-143.3-168.1-177.90113.7F145 C147 C159 C261 T266 T268F145-K154 HydrophobicContact CB-CB 4.25Å; F145-K154 PolarHBondContact O-N 3.5Å; C147-K154 HydrophobicContact CB-CG 4.21Å; K154-C159 VanDerWaalsContact C-SG 3.6Å; K154-C159 PolarHBondContact O-SG 3.41Å; K154-C159 VanDerWaalsContact O-SG 3.41Å; K154-C261 HydrophobicContact CG-CB 4.06Å; K154-T266 WeakPolarHBondContact CE-OG1 3.41Å; K154-T266 PolarHBondContact NZ-O 2.93Å; K154-T266 PolarHBondContact NZ-OG1 3.12Å; K154-T268 HydrophobicContact CB-CG2 4.31Å; K154-T268 HydrophobicContact CD-CG2 3.39Å; K154-T268 HydrophobicContact CG-CG2 3.95Å
155C86.3Confident84.6Confident17 Ų1772.6 Ų72.612%0.11536%0.359CS..SBendtrans-61158.7179.775.70000112.1E142 H143 C153 E157 C158 C159E142-C155 WeakPolarHBondContact O-CB 3.49Å; E142-C155 PolarHBondContact O-SG 3.42Å; H143-C155 PolarHBondContact CE1-SG 3.06Å; H143-C155 PolarHBondContact ND1-SG 3.25Å; C153-C155 PolarHBondContact SG-N 3.41Å; C153-C155 PolarHBondContact SG-SG 3.44Å; C155-E157 VanDerWaalsContact C-N 3.28Å; C155-E157 PolarHBondContact O-N 2.92Å; C155-C158 PolarHBondContact O-N 3.38Å; C155-C158 VanDerWaalsContact SG-CB 3.57Å; C155-C158 PolarHBondContact SG-N 3.48Å; C155-C158 VanDerWaalsContact SG-N 3.38Å; C155-C158 VanDerWaalsContact SG-SG 3.69Å; C155-C159 WeakPolarHBondContact O-CB 3.36Å; C155-C159 PolarHBondContact O-N 2.88Å; C155-C159 PolarHBondContact O-SG 2.87Å
156Q83.4Confident83.8Confident179 Ų17970.8 Ų70.884%0.83636%0.358SS*.Hα-helixtrans-57.5-40.5-176.7-175.9170.74.500112.2C159 S160Q156-C159 CarbonylContact O-C 3.14Å; Q156-C159 PolarHBondContact O-N 3.48Å; Q156-S160 PolarHBondContact O-N 3.29Å
157E85.4Confident82.6Confident102 Ų10271.2 Ų71.248%0.47736%0.362SS..Hα-helixtrans-64.3-51.6179.6-17949.8-132.200111.9C155 C159 S160 R162C155-E157 VanDerWaalsContact C-N 3.28Å; C155-E157 PolarHBondContact O-N 2.92Å; E157-C159 PolarHBondContact O-N 3.48Å; E157-S160 WeakPolarHBondContact O-CB 3.37Å; E157-S160 PolarHBondContact O-N 3.34Å; E157-S160 PolarHBondContact O-OG 3.48Å; E157-R162 IonicContact OE1-CZ 2.97Å; E157-R162 IonicContact OE1-NH1 3.83Å; E157-R162 PolarHBondContact OE1-NH1 3.5Å; E157-R162 IonicContact OE1-NH2 3.06Å; E157-R162 PolarHBondContact OE1-NH2 3.48Å
158C84.9Confident81.3Confident15 Ų1579 Ų7910%0.10139%0.392CS..Hα-helixtrans-65.1-27.6176.8-76.90000112.9H143 C153 C155 R258 P259 G260H143-C158 PolarHBondContact CE1-SG 2.64Å; H143-C158 PolarHBondContact ND1-SG 3.15Å; C153-C158 HydrophobicContact CB-CB 4.03Å; C155-C158 PolarHBondContact O-N 3.38Å; C155-C158 VanDerWaalsContact SG-CB 3.57Å; C155-C158 PolarHBondContact SG-N 3.48Å; C155-C158 VanDerWaalsContact SG-N 3.38Å; C155-C158 VanDerWaalsContact SG-SG 3.69Å; C158-R258 WeakPolarHBondContact O-CG 3.2Å; C158-P259 HydrophobicContact CB-CG 4.34Å; C158-G260 WeakPolarHBondContact O-CA 3.27Å; C158-G260 PolarHBondContact O-N 3.21Å
159C84.1Confident79.9Confident33 Ų3377.5 Ų77.522%0.22340%0.401CS..Hα-helixtrans-90.8-4.6178.7-75.10000114.1K154 C155 Q156 E157 R258K154-C159 VanDerWaalsContact C-SG 3.6Å; K154-C159 PolarHBondContact O-SG 3.41Å; K154-C159 VanDerWaalsContact O-SG 3.41Å; C155-C159 WeakPolarHBondContact O-CB 3.36Å; C155-C159 PolarHBondContact O-N 2.88Å; C155-C159 PolarHBondContact O-SG 2.87Å; Q156-C159 CarbonylContact O-C 3.14Å; Q156-C159 PolarHBondContact O-N 3.48Å; E157-C159 PolarHBondContact O-N 3.48Å; C159-R258 VanDerWaalsContact C-CZ 3.48Å; C159-R258 VanDerWaalsContact C-NE 3.28Å; C159-R258 PolarHBondContact O-NE 2.94Å; C159-R258 PolarHBondContact O-NH2 2.93Å
160S83.6Confident78.6Confident30 Ų3071.3 Ų71.321%0.2138%0.382CS..SBendtrans-65.7138.2179.365.80000110.2Q156 E157 R162Q156-S160 PolarHBondContact O-N 3.29Å; E157-S160 WeakPolarHBondContact O-CB 3.37Å; E157-S160 PolarHBondContact O-N 3.34Å; E157-S160 PolarHBondContact O-OG 3.48Å; S160-R162 PolarHBondContact O-N 3.3Å; S160-R162 PolarHBondContact OG-NH1 3.27Å
161P82.1Confident77.5Confident101 Ų10176.5 Ų76.566%0.65640%0.402SS*.PPolyproline II helixtrans-62.8131.1173.4-20.431.7000110.5D254P161-D254 VanDerWaalsContact CA-OD1 3.22Å; P161-D254 WeakPolarHBondContact CA-OD1 3.33Å
162R82.8Confident76.5Confident85 Ų8581.6 Ų81.632%0.32141%0.412SS..PPolyproline II helixtrans-86.1116.9177.3-64.9-58.5-167-150.67109.8E157 S160 D254E157-R162 IonicContact OE1-CZ 2.97Å; E157-R162 IonicContact OE1-NH1 3.83Å; E157-R162 PolarHBondContact OE1-NH1 3.5Å; E157-R162 IonicContact OE1-NH2 3.06Å; E157-R162 PolarHBondContact OE1-NH2 3.48Å; S160-R162 PolarHBondContact O-N 3.3Å; S160-R162 PolarHBondContact OG-NH1 3.27Å; R162-D254 PolarHBondContact N-OD1 3.48Å
163R77.7Confident75.5Confident178 Ų17885.3 Ų85.367%0.67243%0.426SS*.PPolyproline II helixtrans-70.4153.3172.8-68.9-73.8-174.11403.1109.8E179R163-E179 IonicContact NH1-OE1 3.99Å; R163-E179 PolarHBondContact NH1-OE1 2.97Å
164L78.6Confident74.4Confident24 Ų2487 Ų8713%0.12644%0.437CS..PPolyproline II helixtrans-60.3143.4169.6-69.5164.9000108.9W168 A178 Q250 H253L164-W168 HydrophobicContact CB-CZ2 4.07Å; L164-W168 HydrophobicContact CD2-CH2 4.03Å; L164-W168 HydrophobicContact CD2-CZ2 3.57Å; L164-W168 HydrophobicContact CG-CZ2 4.24Å; L164-A178 HydrophobicContact CD1-CB 4.22Å; L164-Q250 HydrophobicContact CD1-CB 4.4Å; L164-Q250 HydrophobicContact CD1-CG 3.32Å; L164-Q250 HydrophobicContact CG-CB 4.45Å; L164-Q250 HydrophobicContact CG-CG 3.6Å; L164-H253 HydrophobicContact CD2-CB 3.79Å
165P74.9Confident73.1Confident66 Ų6691.9 Ų91.943%0.42947%0.465SS..PPolyproline II helixtrans-51.8143.6172-25.133.3000110.9C167 W168P165-C167 VanDerWaalsContact C-N 3.29Å; P165-W168 PolarHBondContact O-NE1 3.14Å
166S67.3Low72.3Confident59 Ų5993.6 Ų93.641%0.41348%0.477SS..SBendtrans-81.1-8.8179520000113.5C176 S177S166-C176 CarbonylContact O-C 3.36Å; S166-S177 PolarHBondContact O-N 3.46Å
167C63.7Low72.2Confident27 Ų2786.9 Ų86.918%0.18245%0.449CS..  trans-130.894.1-173.3-62.70000110.6P165 Q172P165-C167 VanDerWaalsContact C-N 3.29Å; C167-Q172 PolarHBondContact SG-OE1 2.88Å
168W61.6Low72.2Confident165 Ų16583.3 Ų83.363%0.62544%0.438SS*.SBendtrans-96-30.6-179.3-70.664.7000113.4L164 P165L164-W168 HydrophobicContact CB-CZ2 4.07Å; L164-W168 HydrophobicContact CD2-CH2 4.03Å; L164-W168 HydrophobicContact CD2-CZ2 3.57Å; L164-W168 HydrophobicContact CG-CZ2 4.24Å; P165-W168 PolarHBondContact O-NE1 3.14Å
169A59.4Low72.3Confident94 Ų9486.5 Ų86.578%0.77745%0.451SS*.SBendtrans-124.6-14.1-164.400000114.7
170C58.1Low72.4Confident32 Ų3286.1 Ų86.122%0.21645%0.449CS..SBendtrans-137.460.8-165.1-179.50000111Q172 R173 C174C170-Q172 CarbonylContact O-C 3.45Å; C170-Q172 WeakPolarHBondContact O-CA 3.41Å; C170-Q172 PolarHBondContact O-N 3.27Å; C170-R173 PolarHBondContact O-N 2.97Å; C170-C174 HydrophobicContact CB-CB 3.51Å; C170-C174 WeakPolarHBondContact CB-SG 3.48Å; C170-C174 WeakPolarHBondContact SG-CB 3.46Å; C170-C174 PolarHBondContact SG-N 2.69Å; C170-C174 CovalentContact SG-SG 2.05Å; C170-C174 PolarHBondContact SG-SG 3.29Å
171E64.1Low72.7Confident155 Ų15588.8 Ų88.872%0.72446%0.464SS*.THydrogen-bonded Turntrans19.452.7166.6-62.3-179.1173.100116.9R173E171-R173 PolarHBondContact O-N 3.31Å; E171-R173 VanDerWaalsContact O-N 3.11Å; E171-R173 IonicContact OE2-CZ 3.23Å; E171-R173 IonicContact OE2-NH2 2.72Å; E171-R173 PolarHBondContact OE2-NH2 2.98Å
172Q63.8Low73.1Confident157 Ų15785.2 Ų85.273%0.73444%0.44SS*.THydrogen-bonded Turntrans57.89.8-172.6-56.4-69.6-12.300117.6C167 C170C167-Q172 PolarHBondContact SG-OE1 2.88Å; C170-Q172 CarbonylContact O-C 3.45Å; C170-Q172 WeakPolarHBondContact O-CA 3.41Å; C170-Q172 PolarHBondContact O-N 3.27Å
173R65.3Low73.5Confident201 Ų20183.6 Ų83.676%0.75844%0.436SS*.THydrogen-bonded Turntrans-90.7-14.6178.6-54.6-177.4-154.2178.610.9114C170 E171C170-R173 PolarHBondContact O-N 2.97Å; E171-R173 PolarHBondContact O-N 3.31Å; E171-R173 VanDerWaalsContact O-N 3.11Å; E171-R173 IonicContact OE2-CZ 3.23Å; E171-R173 IonicContact OE2-NH2 2.72Å; E171-R173 PolarHBondContact OE2-NH2 2.98Å
174C67.6Low74Confident50 Ų5082.8 Ų82.834%0.33843%0.434SS..SBendtrans-131.5129.3179.4-43.20000110.5C170 C176C170-C174 HydrophobicContact CB-CB 3.51Å; C170-C174 WeakPolarHBondContact CB-SG 3.48Å; C170-C174 WeakPolarHBondContact SG-CB 3.46Å; C170-C174 PolarHBondContact SG-N 2.69Å; C170-C174 CovalentContact SG-SG 2.05Å; C170-C174 PolarHBondContact SG-SG 3.29Å; C174-C176 WeakPolarHBondContact CB-SG 3.2Å; C174-C176 PolarHBondContact O-N 2.99Å
175L60.4Low74.5Confident159 Ų15984.3 Ų84.383%0.83246%0.456SS*.  trans-7462.4168.8-69.7169.4000110.5S177L175-S177 PolarHBondContact O-N 3.41Å
176C68.8Low75.4Confident53 Ų5381.6 Ų81.636%0.35844%0.438SS..  trans-90.172.1177.7-66.60000110S166 C174S166-C176 CarbonylContact O-C 3.36Å; C174-C176 WeakPolarHBondContact CB-SG 3.2Å; C174-C176 PolarHBondContact O-N 2.99Å
177S81.9Confident76.6Confident38 Ų3880 Ų8027%0.26643%0.427SS..  trans-64.3146.7171.376.40000110.2S166 L175 E179 S180 T181S166-S177 PolarHBondContact O-N 3.46Å; L175-S177 PolarHBondContact O-N 3.41Å; S177-E179 PolarHBondContact O-N 3.31Å; S177-S180 PolarHBondContact N-OG 2.93Å; S177-S180 PolarHBondContact O-N 2.95Å; S177-S180 PolarHBondContact O-OG 2.84Å; S177-S180 WeakPolarHBondContact OG-CB 3.46Å; S177-S180 PolarHBondContact OG-N 2.83Å; S177-S180 VanDerWaalsContact OG-N 3.09Å; S177-S180 PolarHBondContact OG-OG 3.39Å; S177-T181 PolarHBondContact O-N 2.82Å; S177-T181 VanDerWaalsContact O-N 3.1Å; S177-T181 PolarHBondContact O-OG1 2.05Å
178A85.9Confident77.9Confident28 Ų2878.9 Ų78.923%0.23142%0.419CS..Hα-helixtrans-58.7-32.7175.700000111.2L164 V182 L246L164-A178 HydrophobicContact CD1-CB 4.22Å; A178-V182 WeakPolarHBondContact O-CG2 3.27Å; A178-V182 PolarHBondContact O-N 3.3Å; A178-L246 VanDerWaalsContact C-CD1 3.42Å; A178-L246 HydrophobicContact CB-CD1 3.7Å; A178-L246 WeakPolarHBondContact O-CD1 3.49Å
179E87.1Confident79.3Confident81 Ų8173 Ų7338%0.37940%0.402SS..Hα-helixtrans-66.6-48.8178.6-66172-177.600111R163 S177 T181 V182 E183 L246 Q250R163-E179 IonicContact NH1-OE1 3.99Å; R163-E179 PolarHBondContact NH1-OE1 2.97Å; S177-E179 PolarHBondContact O-N 3.31Å; E179-T181 VanDerWaalsContact C-N 3.32Å; E179-T181 PolarHBondContact O-N 3.32Å; E179-V182 PolarHBondContact O-N 2.7Å; E179-E183 WeakPolarHBondContact O-CG 3.35Å; E179-E183 PolarHBondContact O-N 3.03Å; E179-L246 HydrophobicContact CG-CD1 3.99Å; E179-L246 HydrophobicContact CG-CD2 4.11Å; E179-Q250 PolarHBondContact OE1-NE2 3.43Å
180S86.2Confident80.8Confident26 Ų2671.3 Ų71.318%0.18238%0.384CS..Hα-helixtrans-64-38.7178.566.50000111.9S177 V182 E183 Y184S177-S180 PolarHBondContact N-OG 2.93Å; S177-S180 PolarHBondContact O-N 2.95Å; S177-S180 PolarHBondContact O-OG 2.84Å; S177-S180 WeakPolarHBondContact OG-CB 3.46Å; S177-S180 PolarHBondContact OG-N 2.83Å; S177-S180 VanDerWaalsContact OG-N 3.09Å; S177-S180 PolarHBondContact OG-OG 3.39Å; S180-V182 VanDerWaalsContact C-N 3.33Å; S180-V182 PolarHBondContact O-N 2.76Å; S180-E183 PolarHBondContact O-N 3.28Å; S180-E183 VanDerWaalsContact O-N 3.17Å; S180-Y184 WeakPolarHBondContact O-CD2 3.49Å; S180-Y184 PolarHBondContact O-N 3.19Å
181T88.7Confident82.3Confident85 Ų8569.8 Ų69.852%0.52137%0.374SS..Hα-helixtrans-59.4-43.7176.8-55.20000111.7S177 E179 G185S177-T181 PolarHBondContact O-N 2.82Å; S177-T181 VanDerWaalsContact O-N 3.1Å; S177-T181 PolarHBondContact O-OG1 2.05Å; E179-T181 VanDerWaalsContact C-N 3.32Å; E179-T181 PolarHBondContact O-N 3.32Å; T181-G185 WeakPolarHBondContact O-CA 3.27Å; T181-G185 PolarHBondContact O-N 2.99Å
182V91.2Very high83.5Confident27 Ų2765.1 Ų65.116%0.16435%0.351CS..Hα-helixtrans-65-42.6176.21710000110.7A178 E179 S180 T186 Y239 A242 L246A178-V182 WeakPolarHBondContact O-CG2 3.27Å; A178-V182 PolarHBondContact O-N 3.3Å; E179-V182 PolarHBondContact O-N 2.7Å; S180-V182 VanDerWaalsContact C-N 3.33Å; S180-V182 PolarHBondContact O-N 2.76Å; V182-T186 HydrophobicContact CG1-CG2 4.26Å; V182-T186 VanDerWaalsContact O-CB 3.3Å; V182-T186 WeakPolarHBondContact O-CB 3.22Å; V182-T186 VanDerWaalsContact O-CG2 3.26Å; V182-T186 WeakPolarHBondContact O-CG2 3.42Å; V182-T186 PolarHBondContact O-N 2.67Å; V182-T186 PolarHBondContact O-OG1 3.11Å; V182-Y239 HydrophobicContact CG1-CD2 3.82Å; V182-Y239 HydrophobicContact CG1-CE2 3.95Å; V182-A242 HydrophobicContact CG1-CB 3.78Å; V182-A242 HydrophobicContact CG2-CB 4.27Å; V182-L246 HydrophobicContact CG2-CD1 3.95Å
183E90.4Very high84.7Confident51 Ų5159.1 Ų59.124%0.23833%0.332CS..Hα-helixtrans-65-45.6-179.1-68.8-171.5167.200113.2E179 S180 C187 L188 C189 K192E179-E183 WeakPolarHBondContact O-CG 3.35Å; E179-E183 PolarHBondContact O-N 3.03Å; S180-E183 PolarHBondContact O-N 3.28Å; S180-E183 VanDerWaalsContact O-N 3.17Å; E183-C187 PolarHBondContact O-N 2.87Å; E183-L188 HydrophobicContact CG-CD2 4.02Å; E183-L188 PolarHBondContact O-N 3.1Å; E183-C189 PolarHBondContact O-N 3.01Å; E183-K192 IonicContact OE1-NZ 2.81Å; E183-K192 PolarHBondContact OE1-NZ 3.06Å; E183-K192 IonicContact OE2-NZ 3.63Å; E183-K192 PolarHBondContact OE2-NZ 2.85Å
184Y89.8Confident85.7Confident161 Ų16153 Ų5363%0.63131%0.314SS*.Hα-helixtrans-72.3-40.1177.3-68.6-63.9000111.8S180 T186 C187 C189S180-Y184 WeakPolarHBondContact O-CD2 3.49Å; S180-Y184 PolarHBondContact O-N 3.19Å; Y184-T186 VanDerWaalsContact C-N 3.34Å; Y184-T186 PolarHBondContact O-N 3.19Å; Y184-C187 PolarHBondContact O-N 3.43Å; Y184-C189 HydrophobicContact CD1-CB 3.93Å; Y184-C189 HydrophobicContact CE1-CB 4Å
185G89.1Confident86.7Confident56 Ų5651.2 Ų51.258%0.57730%0.3SS*.Hα-helixtrans-70.2-27.4-179.200000114.2T181T181-G185 WeakPolarHBondContact O-CA 3.27Å; T181-G185 PolarHBondContact O-N 2.99Å
186T93.5Very high87.8Confident9 Ų951 Ų516%0.05529%0.289CS..THydrogen-bonded Turntrans-98.95.8178.363.20000112.8V182 Y184 L188 C235 L236 C238 Y239 A242V182-T186 HydrophobicContact CG1-CG2 4.26Å; V182-T186 VanDerWaalsContact O-CB 3.3Å; V182-T186 WeakPolarHBondContact O-CB 3.22Å; V182-T186 VanDerWaalsContact O-CG2 3.26Å; V182-T186 WeakPolarHBondContact O-CG2 3.42Å; V182-T186 PolarHBondContact O-N 2.67Å; V182-T186 PolarHBondContact O-OG1 3.11Å; Y184-T186 VanDerWaalsContact C-N 3.34Å; Y184-T186 PolarHBondContact O-N 3.19Å; T186-L188 PolarHBondContact O-N 2.99Å; T186-C235 CarbonylContact O-C 3.39Å; T186-L236 WeakPolarHBondContact O-CA 3.46Å; T186-L236 WeakPolarHBondContact O-CD1 3.31Å; T186-L236 PolarHBondContact O-N 3.42Å; T186-C238 HydrophobicContact CG2-CB 4.36Å; T186-Y239 HydrophobicContact CG2-CD2 4.48Å; T186-Y239 WeakPolarHBondContact OG1-CD2 3.2Å; T186-A242 HydrophobicContact CG2-CB 4.24Å
187C92.9Very high88.6Confident26 Ų2655 Ų5518%0.17630%0.303CS..THydrogen-bonded Turntrans60.421.5-179.2-36.30000113.8E183 Y184 C189 C190 L233 C235 L236E183-C187 PolarHBondContact O-N 2.87Å; Y184-C187 PolarHBondContact O-N 3.43Å; C187-C189 PolarHBondContact O-N 2.97Å; C187-C190 VanDerWaalsContact O-CB 3.32Å; C187-C190 WeakPolarHBondContact O-CB 2.89Å; C187-C190 PolarHBondContact O-N 3.43Å; C187-C190 VanDerWaalsContact O-N 3.08Å; C187-L233 HydrophobicContact CB-CD1 4.16Å; C187-C235 HydrophobicContact CB-CB 4.35Å; C187-C235 WeakPolarHBondContact CB-SG 3.43Å; C187-C235 WeakPolarHBondContact SG-CB 3.16Å; C187-C235 CovalentContact SG-SG 2.07Å; C187-C235 PolarHBondContact SG-SG 3.4Å; C187-L236 HydrophobicContact CB-CD1 3.74Å
188L91.3Very high88.2Confident2 Ų256.7 Ų56.71%0.0131%0.314CS..Hα-helixtrans-63.3-29.9175.1-170.576000111.3E183 T186 C190 V191 K192 P211 M226 Y239E183-L188 HydrophobicContact CG-CD2 4.02Å; E183-L188 PolarHBondContact O-N 3.1Å; T186-L188 PolarHBondContact O-N 2.99Å; L188-C190 PolarHBondContact O-N 3.22Å; L188-V191 HydrophobicContact CD1-CB 4.49Å; L188-V191 HydrophobicContact CD1-CG2 4.42Å; L188-V191 WeakPolarHBondContact O-CB 3.19Å; L188-V191 PolarHBondContact O-N 3.24Å; L188-K192 PolarHBondContact O-N 3.05Å; L188-P211 HydrophobicContact CD1-CG 4.27Å; L188-M226 HydrophobicContact CD1-CE 4.22Å; L188-Y239 HydrophobicContact CB-CD2 4.34Å; L188-Y239 HydrophobicContact CB-CE2 4.49Å; L188-Y239 HydrophobicContact CD1-CD1 4.05Å; L188-Y239 HydrophobicContact CD1-CE1 4.07Å; L188-Y239 HydrophobicContact CD1-CG 4.3Å; L188-Y239 HydrophobicContact CD2-CD2 4.09Å; L188-Y239 HydrophobicContact CD2-CE1 3.94Å; L188-Y239 HydrophobicContact CD2-CE2 3.49Å; L188-Y239 VanDerWaalsContact CD2-CE2 3.49Å; L188-Y239 HydrophobicContact CG-CE2 4.4Å
189C90.1Very high87.4Confident41 Ų4156.8 Ų56.828%0.27731%0.313SS..Hα-helixtrans-53.7-33.8172.657.90000112.6E183 Y184 C187 K192 G193E183-C189 PolarHBondContact O-N 3.01Å; Y184-C189 HydrophobicContact CD1-CB 3.93Å; Y184-C189 HydrophobicContact CE1-CB 4Å; C187-C189 PolarHBondContact O-N 2.97Å; C189-K192 PolarHBondContact O-N 3.28Å; C189-G193 PolarHBondContact O-N 3.23Å
190C90.8Very high86.2Confident60 Ų6056.3 Ų56.341%0.40532%0.323SS..Hα-helixtrans-68.1-38176.6-57.50000111.9C187 L188 G193 L194 L233C187-C190 VanDerWaalsContact O-CB 3.32Å; C187-C190 WeakPolarHBondContact O-CB 2.89Å; C187-C190 PolarHBondContact O-N 3.43Å; C187-C190 VanDerWaalsContact O-N 3.08Å; L188-C190 PolarHBondContact O-N 3.22Å; C190-G193 PolarHBondContact O-N 3.48Å; C190-L194 WeakPolarHBondContact O-CB 3.11Å; C190-L194 PolarHBondContact O-N 3.24Å; C190-L233 HydrophobicContact CB-CD1 3.96Å
191V90.3Very high84.9Confident0 Ų063.4 Ų63.40%035%0.353CS..Hα-helixtrans-65.2-46.2174.5-175.40000110.2L188 G193 L194 F195 P211 M226 L229 L236L188-V191 HydrophobicContact CD1-CB 4.49Å; L188-V191 HydrophobicContact CD1-CG2 4.42Å; L188-V191 WeakPolarHBondContact O-CB 3.19Å; L188-V191 PolarHBondContact O-N 3.24Å; V191-G193 VanDerWaalsContact C-N 3.31Å; V191-G193 PolarHBondContact O-N 3.35Å; V191-L194 PolarHBondContact O-N 3.05Å; V191-F195 HydrophobicContact CG1-CD2 3.95Å; V191-F195 HydrophobicContact CG1-CE2 3.67Å; V191-F195 HydrophobicContact CG1-CG 4.49Å; V191-F195 HydrophobicContact CG1-CZ 3.99Å; V191-F195 WeakPolarHBondContact O-CB 3.1Å; V191-F195 PolarHBondContact O-N 2.99Å; V191-P211 HydrophobicContact CG1-CB 3.84Å; V191-M226 HydrophobicContact CG1-CE 4.07Å; V191-M226 HydrophobicContact CG1-CG 3.96Å; V191-M226 HydrophobicContact CG1-SD 4.32Å; V191-M226 HydrophobicContact CG2-CE 4.27Å; V191-L229 HydrophobicContact CB-CD1 4.39Å; V191-L229 HydrophobicContact CG2-CD1 3.87Å; V191-L236 HydrophobicContact CG2-CD2 3.45Å; V191-L236 VanDerWaalsContact CG2-CD2 3.45Å; V191-L236 HydrophobicContact CG2-CG 4.3Å
192K89.2Confident83.5Confident56 Ų5663.4 Ų63.424%0.24335%0.35CS..Hα-helixtrans-58.8-44.1176.8-66.8-174.2177.2178.60111.3E183 L188 C189 F195 Y196 P211E183-K192 IonicContact OE1-NZ 2.81Å; E183-K192 PolarHBondContact OE1-NZ 3.06Å; E183-K192 IonicContact OE2-NZ 3.63Å; E183-K192 PolarHBondContact OE2-NZ 2.85Å; L188-K192 PolarHBondContact O-N 3.05Å; C189-K192 PolarHBondContact O-N 3.28Å; K192-F195 PolarHBondContact O-N 3.25Å; K192-Y196 WeakPolarHBondContact O-CB 3.38Å; K192-Y196 PolarHBondContact O-N 3.06Å; K192-P211 HydrophobicContact CG-CG 4.31Å
193G88.7Confident81.8Confident32 Ų3269.7 Ų69.733%0.3338%0.382SS..Hα-helixtrans-64.1-42.8176.700000113.2C189 C190 V191 Y196 H197C189-G193 PolarHBondContact O-N 3.23Å; C190-G193 PolarHBondContact O-N 3.48Å; V191-G193 VanDerWaalsContact C-N 3.31Å; V191-G193 PolarHBondContact O-N 3.35Å; G193-Y196 PolarHBondContact O-N 3.19Å; G193-H197 PolarHBondContact O-CD2 3.44Å; G193-H197 VanDerWaalsContact O-CD2 3.23Å; G193-H197 PolarHBondContact O-N 3.05Å; G193-H197 VanDerWaalsContact O-N 3.09Å
194L86.9Confident80.3Confident72 Ų7275.8 Ų75.838%0.37741%0.411SS..Hα-helixtrans-63-47.1175.6-177.165.6000111C190 V191 Y196 H197 C198 L229C190-L194 WeakPolarHBondContact O-CB 3.11Å; C190-L194 PolarHBondContact O-N 3.24Å; V191-L194 PolarHBondContact O-N 3.05Å; L194-Y196 VanDerWaalsContact C-N 3.31Å; L194-Y196 PolarHBondContact O-N 2.97Å; L194-H197 PolarHBondContact O-N 2.07Å; L194-C198 WeakPolarHBondContact O-CB 3.45Å; L194-C198 PolarHBondContact O-N 2.91Å; L194-C198 PolarHBondContact O-SG 2.61Å; L194-L229 HydrophobicContact CD2-CD1 3.79Å; L194-L229 HydrophobicContact CD2-CD2 4.42Å; L194-L229 HydrophobicContact CD2-CG 4.36Å
195F86.9Confident78.9Confident12 Ų1270.5 Ų70.55%0.05339%0.394CS..Hα-helixtrans-64.4-35.3177.6-72.5-11.5000112.5V191 K192 H197 C198 S199 C207 A208 P211 R222 T225 M226V191-F195 HydrophobicContact CG1-CD2 3.95Å; V191-F195 HydrophobicContact CG1-CE2 3.67Å; V191-F195 HydrophobicContact CG1-CG 4.49Å; V191-F195 HydrophobicContact CG1-CZ 3.99Å; V191-F195 WeakPolarHBondContact O-CB 3.1Å; V191-F195 PolarHBondContact O-N 2.99Å; K192-F195 PolarHBondContact O-N 3.25Å; F195-H197 VanDerWaalsContact C-N 3.34Å; F195-H197 PolarHBondContact O-N 3.34Å; F195-C198 PolarHBondContact O-N 3.17Å; F195-S199 VanDerWaalsContact O-CB 3.26Å; F195-S199 WeakPolarHBondContact O-CB 3.31Å; F195-S199 PolarHBondContact O-N 3.19Å; F195-S199 PolarHBondContact O-OG 3.17Å; F195-C207 HydrophobicContact CB-CB 4.26Å; F195-C207 HydrophobicContact CD2-CB 4.32Å; F195-C207 WeakPolarHBondContact CD2-O 3.37Å; F195-C207 HydrophobicContact CG-CB 4.35Å; F195-A208 HydrophobicContact CB-CB 4.4Å; F195-P211 HydrophobicContact CD2-CB 3.8Å; F195-P211 HydrophobicContact CE2-CB 3.68Å; F195-R222 HydrophobicContact CZ-CB 4.24Å; F195-R222 HydrophobicContact CZ-CG 4.37Å; F195-T225 WeakPolarHBondContact CE1-OG1 3.49Å; F195-M226 HydrophobicContact CE2-CG 4.5Å; F195-M226 HydrophobicContact CZ-CG 4.1Å
196Y85.1Confident77.9Confident154 Ų15473 Ų7360%0.60439%0.394SS*.Hα-helixtrans-60.4-43.2173179.4-100.2000112.1K192 G193 L194 S199 A200K192-Y196 WeakPolarHBondContact O-CB 3.38Å; K192-Y196 PolarHBondContact O-N 3.06Å; G193-Y196 PolarHBondContact O-N 3.19Å; L194-Y196 VanDerWaalsContact C-N 3.31Å; L194-Y196 PolarHBondContact O-N 2.97Å; Y196-S199 PolarHBondContact O-OG 3.38Å; Y196-A200 PolarHBondContact O-N 2.93Å
197H83.9Confident76.5Confident139 Ų13973.3 Ų73.364%0.64440%0.396SS*.Hα-helixtrans-72.7-31.2176.5-76.6-62.2000113.4G193 L194 F195G193-H197 PolarHBondContact O-CD2 3.44Å; G193-H197 VanDerWaalsContact O-CD2 3.23Å; G193-H197 PolarHBondContact O-N 3.05Å; G193-H197 VanDerWaalsContact O-N 3.09Å; L194-H197 PolarHBondContact O-N 2.07Å; F195-H197 VanDerWaalsContact C-N 3.34Å; F195-H197 PolarHBondContact O-N 3.34Å
198C74.1Confident75.6Confident72 Ų7272.5 Ų72.549%0.48639%0.392SS..Hα-helixtrans-80.7-32.8178.1-65.90000113.2L194 F195 Q201L194-C198 WeakPolarHBondContact O-CB 3.45Å; L194-C198 PolarHBondContact O-N 2.91Å; L194-C198 PolarHBondContact O-SG 2.61Å; F195-C198 PolarHBondContact O-N 3.17Å; C198-Q201 WeakPolarHBondContact O-CB 3.31Å; C198-Q201 PolarHBondContact O-N 3.4Å
199S69.3Low74.7Confident30 Ų3077.9 Ų77.921%0.2142%0.42CS..Hα-helixtrans-77.9-20.3177.665.20000112.7F195 Y196 Q201 D202 D205F195-S199 VanDerWaalsContact O-CB 3.26Å; F195-S199 WeakPolarHBondContact O-CB 3.31Å; F195-S199 PolarHBondContact O-N 3.19Å; F195-S199 PolarHBondContact O-OG 3.17Å; Y196-S199 PolarHBondContact O-OG 3.38Å; S199-Q201 PolarHBondContact O-N 2.77Å; S199-Q201 VanDerWaalsContact O-N 3.12Å; S199-D202 CarbonylContact O-C 3.48Å; S199-D202 PolarHBondContact O-N 3.07Å; S199-D205 WeakPolarHBondContact CB-O 3.48Å
200A61.1Low74Confident72 Ų7284.3 Ų84.360%0.59544%0.439SS*.THydrogen-bonded Turntrans-62.9-12.6169.800000113.2Y196Y196-A200 PolarHBondContact O-N 2.93Å
201Q60.5Low73.2Confident175 Ų17581.9 Ų81.982%0.81842%0.422SS*.THydrogen-bonded Turntrans-95.8-13176.2-156.788.344.100112.5C198 S199C198-Q201 WeakPolarHBondContact O-CB 3.31Å; C198-Q201 PolarHBondContact O-N 3.4Å; S199-Q201 PolarHBondContact O-N 2.77Å; S199-Q201 VanDerWaalsContact O-N 3.12Å
202D58.5Low72.5Confident84 Ų8484.2 Ų84.245%0.44944%0.438SS..SBendtrans-142.989.3-171.5-161.711.2000108.7S199 E204S199-D202 CarbonylContact O-C 3.48Å; S199-D202 PolarHBondContact O-N 3.07Å; D202-E204 PolarHBondContact O-N 3.31Å
203D55.7Low72Confident159 Ų15982.7 Ų82.785%0.8543%0.434SS*.THydrogen-bonded Turntrans-66.62-163.8-61-51.3000115.4
204E58.9Low71.1Confident180 Ų18086 Ų8684%0.84145%0.451SS*.THydrogen-bonded Turntrans-97.6-18.9-175.8-90-153.411700115.6D202D202-E204 PolarHBondContact O-N 3.31Å
205D60.5Low70.4Confident50 Ų5085.7 Ų85.727%0.26746%0.455SS..  trans-121.3109-170.2-84.1-36.6000113.5S199 C207 H218S199-D205 WeakPolarHBondContact CB-O 3.48Å; D205-C207 PolarHBondContact O-N 3.19Å; D205-H218 IonicContact OD2-CD2 3.46Å; D205-H218 PolarHBondContact OD2-CD2 3.1Å; D205-H218 VanDerWaalsContact OD2-CD2 3.23Å; D205-H218 IonicContact OD2-NE2 2.83Å
206N67.8Low69.1Low108 Ų10889.9 Ų89.958%0.57849%0.492SS*.  trans-70.761.6169-171.75.5000111.9A208 D209N206-A208 VanDerWaalsContact C-N 3.32Å; N206-D209 PolarHBondContact ND2-OD2 2.96Å; N206-D209 WeakPolarHBondContact OD1-CB 3.46Å; N206-D209 PolarHBondContact OD1-OD2 3.33Å
207C64.8Low68.2Low15 Ų1584.9 Ų84.910%0.10148%0.482CS..THydrogen-bonded Turntrans-70.6-27-178.8-78.20000112.8F195 D205 R210 R222F195-C207 HydrophobicContact CB-CB 4.26Å; F195-C207 HydrophobicContact CD2-CB 4.32Å; F195-C207 WeakPolarHBondContact CD2-O 3.37Å; F195-C207 HydrophobicContact CG-CB 4.35Å; D205-C207 PolarHBondContact O-N 3.19Å; C207-R210 CarbonylContact O-C 3.33Å; C207-R222 PolarHBondContact SG-NH1 3.08Å
208A72.9Confident67.7Low10 Ų1083 Ų838%0.08347%0.474CS..THydrogen-bonded Turntrans-66.5-37-177.500000112.6F195 N206F195-A208 HydrophobicContact CB-CB 4.4Å; N206-A208 VanDerWaalsContact C-N 3.32Å
209D73.4Confident67.9Low114 Ų11480.6 Ų80.661%0.6146%0.459SS*.THydrogen-bonded Turntrans-76.5-28-177.2-75-15000113.2N206N206-D209 PolarHBondContact ND2-OD2 2.96Å; N206-D209 WeakPolarHBondContact OD1-CB 3.46Å; N206-D209 PolarHBondContact OD1-OD2 3.33Å
210R74.7Confident68.5Low177 Ų17784 Ų8467%0.66848%0.481SS*.  trans-131.961-175.3-62.4-177.566.586.8-2.8111.8C207 C212 S213 R222C207-R210 CarbonylContact O-C 3.33Å; R210-C212 PolarHBondContact O-N 3.19Å; R210-S213 PolarHBondContact O-N 3.47Å; R210-S213 PolarHBondContact O-OG 2.69Å; R210-R222 PolarHBondContact O-NH2 3.09Å
211P74Confident69.5Low9 Ų983.3 Ų83.36%0.05848%0.475CS..THydrogen-bonded Turntrans-54.3-35.1-171.320.6-32.8000112.9L188 V191 K192 F195 S213 R222 M226L188-P211 HydrophobicContact CD1-CG 4.27Å; V191-P211 HydrophobicContact CG1-CB 3.84Å; K192-P211 HydrophobicContact CG-CG 4.31Å; F195-P211 HydrophobicContact CD2-CB 3.8Å; F195-P211 HydrophobicContact CE2-CB 3.68Å; P211-S213 PolarHBondContact O-N 3.31Å; P211-R222 PolarHBondContact O-NH2 3.29Å; P211-R222 VanDerWaalsContact O-NH2 3.07Å; P211-M226 HydrophobicContact CB-SD 4.45Å
212C76.2Confident70.7Confident49 Ų4975.8 Ų75.833%0.33144%0.44SS..THydrogen-bonded Turntrans-88.715.8-179.2-48.10000115.9R210R210-C212 PolarHBondContact O-N 3.19Å
213S77.5Confident72.1Confident24 Ų2477.8 Ų77.817%0.16844%0.441CS..  trans-77.8135.5-179.662.50000113.1R210 P211 S215 R222R210-S213 PolarHBondContact O-N 3.47Å; R210-S213 PolarHBondContact O-OG 2.69Å; P211-S213 PolarHBondContact O-N 3.31Å; S213-S215 VanDerWaalsContact C-N 3.26Å; S213-S215 PolarHBondContact O-N 3.31Å; S213-R222 VanDerWaalsContact OG-CZ 3.25Å; S213-R222 PolarHBondContact OG-NH1 3.21Å; S213-R222 PolarHBondContact OG-NH2 2.91Å
214C70.5Confident73.6Confident102 Ų10273.5 Ų73.569%0.68942%0.423SS*.  trans-85.836.5177.8-550000113.9A216C214-A216 PolarHBondContact O-N 3.43Å
215S71.7Confident75Confident65 Ų6567.4 Ų67.446%0.45540%0.398SS..  trans-65132176.9-167.20000109.6S213 A217 A219S213-S215 VanDerWaalsContact C-N 3.26Å; S213-S215 PolarHBondContact O-N 3.31Å; S215-A217 PolarHBondContact O-N 3.28Å; S215-A217 VanDerWaalsContact O-O 3.05Å; S215-A219 WeakPolarHBondContact O-CB 3.3Å; S215-A219 PolarHBondContact O-N 2.72Å
216A60.2Low76.4Confident99 Ų9966.2 Ų66.282%0.81839%0.391SS*.THydrogen-bonded Turntrans-62.9-30.4-171.800000113C214 H218C214-A216 PolarHBondContact O-N 3.43Å; A216-H218 PolarHBondContact O-N 2.91Å
217A66.4Low77.4Confident49 Ų4963.7 Ų63.741%0.40539%0.386SS..THydrogen-bonded Turntrans-68.7119.5168.100000108.8S215 A219S215-A217 PolarHBondContact O-N 3.28Å; S215-A217 VanDerWaalsContact O-O 3.05Å; A217-A219 VanDerWaalsContact C-N 3.28Å; A217-A219 PolarHBondContact O-N 2.99Å; A217-A219 VanDerWaalsContact O-N 3.12Å
218H72.8Confident78.6Confident101 Ų10168.3 Ų68.347%0.46841%0.409SS..THydrogen-bonded Turntrans65.97.2175.5-47.9-75.9000118D205 A216 C220 A221 R222D205-H218 IonicContact OD2-CD2 3.46Å; D205-H218 PolarHBondContact OD2-CD2 3.1Å; D205-H218 VanDerWaalsContact OD2-CD2 3.23Å; D205-H218 IonicContact OD2-NE2 2.83Å; A216-H218 PolarHBondContact O-N 2.91Å; H218-C220 VanDerWaalsContact C-N 3.35Å; H218-C220 PolarHBondContact O-N 3.41Å; H218-A221 PolarHBondContact O-N 2.94Å; H218-R222 VanDerWaalsContact O-CG 3.24Å; H218-R222 WeakPolarHBondContact O-CG 3.46Å; H218-R222 PolarHBondContact O-N 3.11Å
219A78.8Confident79.4Confident21 Ų2169.5 Ų69.517%0.17441%0.414CS..Hα-helixtrans-50-50.9175.800000112.9S215 A217 A221 R222 W223S215-A219 WeakPolarHBondContact O-CB 3.3Å; S215-A219 PolarHBondContact O-N 2.72Å; A217-A219 VanDerWaalsContact C-N 3.28Å; A217-A219 PolarHBondContact O-N 2.99Å; A217-A219 VanDerWaalsContact O-N 3.12Å; A219-A221 VanDerWaalsContact C-N 3.35Å; A219-A221 PolarHBondContact O-N 3.42Å; A219-R222 PolarHBondContact O-N 3.03Å; A219-R222 VanDerWaalsContact O-N 3.16Å; A219-W223 PolarHBondContact O-N 3.4Å
220C81.3Confident80.2Confident101 Ų10165.2 Ų65.268%0.68239%0.394SS*.Hα-helixtrans-58.5-44.6-176.4-173.60000112.5H218 S224H218-C220 VanDerWaalsContact C-N 3.35Å; H218-C220 PolarHBondContact O-N 3.41Å; C220-S224 VanDerWaalsContact O-CB 3.26Å; C220-S224 WeakPolarHBondContact O-CB 3.4Å; C220-S224 PolarHBondContact O-N 3.31Å; C220-S224 PolarHBondContact O-OG 3.03Å
221A83.5Confident80.9Confident57 Ų5763.7 Ų63.747%0.47140%0.398SS..Hα-helixtrans-64.9-41177.500000111.8H218 A219 S224 T225H218-A221 PolarHBondContact O-N 2.94Å; A219-A221 VanDerWaalsContact C-N 3.35Å; A219-A221 PolarHBondContact O-N 3.42Å; A221-S224 PolarHBondContact O-N 2.92Å; A221-T225 WeakPolarHBondContact O-CB 3.49Å; A221-T225 VanDerWaalsContact O-CG2 3.32Å; A221-T225 WeakPolarHBondContact O-CG2 3.43Å; A221-T225 PolarHBondContact O-N 3.02Å; A221-T225 PolarHBondContact O-OG1 2.72Å
222R85.2Confident81.7Confident18 Ų1867.8 Ų67.87%0.06843%0.427CS..Hα-helixtrans-66.1-45.1178.6-66.9171.162.9160.14.8112.4F195 C207 R210 P211 S213 H218 A219 T225 M226F195-R222 HydrophobicContact CZ-CB 4.24Å; F195-R222 HydrophobicContact CZ-CG 4.37Å; C207-R222 PolarHBondContact SG-NH1 3.08Å; R210-R222 PolarHBondContact O-NH2 3.09Å; P211-R222 PolarHBondContact O-NH2 3.29Å; P211-R222 VanDerWaalsContact O-NH2 3.07Å; S213-R222 VanDerWaalsContact OG-CZ 3.25Å; S213-R222 PolarHBondContact OG-NH1 3.21Å; S213-R222 PolarHBondContact OG-NH2 2.91Å; H218-R222 VanDerWaalsContact O-CG 3.24Å; H218-R222 WeakPolarHBondContact O-CG 3.46Å; H218-R222 PolarHBondContact O-N 3.11Å; A219-R222 PolarHBondContact O-N 3.03Å; A219-R222 VanDerWaalsContact O-N 3.16Å; R222-T225 WeakPolarHBondContact CA-OG1 3.14Å; R222-T225 PolarHBondContact O-OG1 3.43Å; R222-M226 WeakPolarHBondContact O-CB 3.45Å; R222-M226 VanDerWaalsContact O-CG 3.32Å; R222-M226 WeakPolarHBondContact O-CG 3.07Å; R222-M226 PolarHBondContact O-N 2.91Å
223W88.3Confident82.3Confident126 Ų12667.9 Ų67.948%0.47742%0.423SS..Hα-helixtrans-67.1-37.3175.7-70.3109.1000111.9A219 M226 A227A219-W223 PolarHBondContact O-N 3.4Å; W223-M226 PolarHBondContact O-N 3.36Å; W223-A227 VanDerWaalsContact O-CB 3.32Å; W223-A227 WeakPolarHBondContact O-CB 3.37Å; W223-A227 PolarHBondContact O-N 3.48Å
224S87.3Confident82.9Confident68 Ų6871.3 Ų71.348%0.47645%0.445SS..Hα-helixtrans-66.7-43177.2-600000112.4C220 A221 A227 L228C220-S224 VanDerWaalsContact O-CB 3.26Å; C220-S224 WeakPolarHBondContact O-CB 3.4Å; C220-S224 PolarHBondContact O-N 3.31Å; C220-S224 PolarHBondContact O-OG 3.03Å; A221-S224 PolarHBondContact O-N 2.92Å; S224-A227 PolarHBondContact O-N 2.86Å; S224-L228 WeakPolarHBondContact O-CB 3.22Å; S224-L228 PolarHBondContact O-N 3Å
225T88.3Confident83.9Confident52 Ų5267.9 Ų67.932%0.31942%0.422SS..Hα-helixtrans-65.6-41.7175.348.10000111.6F195 A221 R222 A227 L228 L229F195-T225 WeakPolarHBondContact CE1-OG1 3.49Å; A221-T225 WeakPolarHBondContact O-CB 3.49Å; A221-T225 VanDerWaalsContact O-CG2 3.32Å; A221-T225 WeakPolarHBondContact O-CG2 3.43Å; A221-T225 PolarHBondContact O-N 3.02Å; A221-T225 PolarHBondContact O-OG1 2.72Å; R222-T225 WeakPolarHBondContact CA-OG1 3.14Å; R222-T225 PolarHBondContact O-OG1 3.43Å; T225-A227 VanDerWaalsContact C-N 3.34Å; T225-A227 PolarHBondContact O-N 3.46Å; T225-L228 PolarHBondContact O-N 2.9Å; T225-L229 WeakPolarHBondContact O-CB 3.46Å; T225-L229 WeakPolarHBondContact O-CG 3.48Å; T225-L229 PolarHBondContact O-N 2.87Å
226M88.4Confident84.8Confident25 Ų2565.4 Ų65.412%0.12340%0.404CS..Hα-helixtrans-62.9-39.2172.8-72.2-165.980.800112.4L188 V191 F195 P211 R222 W223 L229 A230L188-M226 HydrophobicContact CD1-CE 4.22Å; V191-M226 HydrophobicContact CG1-CE 4.07Å; V191-M226 HydrophobicContact CG1-CG 3.96Å; V191-M226 HydrophobicContact CG1-SD 4.32Å; V191-M226 HydrophobicContact CG2-CE 4.27Å; F195-M226 HydrophobicContact CE2-CG 4.5Å; F195-M226 HydrophobicContact CZ-CG 4.1Å; P211-M226 HydrophobicContact CB-SD 4.45Å; R222-M226 WeakPolarHBondContact O-CB 3.45Å; R222-M226 VanDerWaalsContact O-CG 3.32Å; R222-M226 WeakPolarHBondContact O-CG 3.07Å; R222-M226 PolarHBondContact O-N 2.91Å; W223-M226 PolarHBondContact O-N 3.36Å; M226-L229 PolarHBondContact O-N 3.31Å; M226-A230 WeakPolarHBondContact O-CB 3.48Å; M226-A230 PolarHBondContact O-N 3.07Å
227A89.1Confident86.2Confident56 Ų5664.6 Ų64.646%0.46339%0.391SS..Hα-helixtrans-65.4-42.1176.400000111.8W223 S224 T225 A230 L231W223-A227 VanDerWaalsContact O-CB 3.32Å; W223-A227 WeakPolarHBondContact O-CB 3.37Å; W223-A227 PolarHBondContact O-N 3.48Å; S224-A227 PolarHBondContact O-N 2.86Å; T225-A227 VanDerWaalsContact C-N 3.34Å; T225-A227 PolarHBondContact O-N 3.46Å; A227-A230 PolarHBondContact O-N 3.48Å; A227-L231 PolarHBondContact O-N 3.14Å
228L91.1Very high87.5Confident112 Ų11265.7 Ų65.759%0.58640%0.395SS*.Hα-helixtrans-62.9-44.3174.9-177.463.6000111.5S224 T225 A230 L231 C232S224-L228 WeakPolarHBondContact O-CB 3.22Å; S224-L228 PolarHBondContact O-N 3Å; T225-L228 PolarHBondContact O-N 2.9Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 2.63Å; L228-L231 HydrophobicContact CD1-CD1 4.46Å; L228-L231 WeakPolarHBondContact O-CB 3.33Å; L228-L231 PolarHBondContact O-N 2.98Å; L228-C232 PolarHBondContact O-N 2.93Å
229L87.8Confident88.5Confident34 Ų3462.1 Ų62.118%0.17838%0.377CS..Hα-helixtrans-62.8-37.3175.6-75175.4000112V191 L194 T225 M226 L231 C232 L233 L236V191-L229 HydrophobicContact CB-CD1 4.39Å; V191-L229 HydrophobicContact CG2-CD1 3.87Å; L194-L229 HydrophobicContact CD2-CD1 3.79Å; L194-L229 HydrophobicContact CD2-CD2 4.42Å; L194-L229 HydrophobicContact CD2-CG 4.36Å; T225-L229 WeakPolarHBondContact O-CB 3.46Å; T225-L229 WeakPolarHBondContact O-CG 3.48Å; T225-L229 PolarHBondContact O-N 2.87Å; M226-L229 PolarHBondContact O-N 3.31Å; L229-L231 PolarHBondContact O-N 2.72Å; L229-C232 PolarHBondContact O-N 3.39Å; L229-C232 VanDerWaalsContact O-N 3.11Å; L229-L233 WeakPolarHBondContact O-CA 3.26Å; L229-L233 WeakPolarHBondContact O-CB 3.3Å; L229-L233 PolarHBondContact O-N 2.87Å; L229-L236 HydrophobicContact CB-CD2 4.05Å
230A90.8Very high89.1Confident24 Ų2465 Ų6520%0.19839%0.394CS..Hα-helixtrans-63.3-26.5176.900000113.3M226 A227 L228 L233 L236M226-A230 WeakPolarHBondContact O-CB 3.48Å; M226-A230 PolarHBondContact O-N 3.07Å; A227-A230 PolarHBondContact O-N 3.48Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 2.63Å; A230-L233 CarbonylContact O-C 3.57Å; A230-L236 HydrophobicContact CB-CB 4.27Å
231L90.1Very high89.7Confident145 Ų14563.8 Ų63.876%0.75939%0.385SS*.Hα-helixtrans-70.6-39.8172.3-64.5171.1000111.8A227 L228 L229A227-L231 PolarHBondContact O-N 3.14Å; L228-L231 HydrophobicContact CD1-CD1 4.46Å; L228-L231 WeakPolarHBondContact O-CB 3.33Å; L228-L231 PolarHBondContact O-N 2.98Å; L229-L231 PolarHBondContact O-N 2.72Å
232C89.6Confident90.1Very high96 Ų9662.5 Ų62.565%0.64937%0.374SS*.Hα-helixtrans-78.6-29.9177.8-61.40000112.7L228 L229L228-C232 PolarHBondContact O-N 2.93Å; L229-C232 PolarHBondContact O-N 3.39Å; L229-C232 VanDerWaalsContact O-N 3.11Å
233L89.8Confident90.4Very high50 Ų5066.7 Ų66.726%0.26239%0.393SS..  trans-130.483.3-173.1-68.1173.2000108.8C187 C190 L229 A230 C235 L236C187-L233 HydrophobicContact CB-CD1 4.16Å; C190-L233 HydrophobicContact CB-CD1 3.96Å; L229-L233 WeakPolarHBondContact O-CA 3.26Å; L229-L233 WeakPolarHBondContact O-CB 3.3Å; L229-L233 PolarHBondContact O-N 2.87Å; A230-L233 CarbonylContact O-C 3.57Å; L233-C235 PolarHBondContact O-N 2.94Å; L233-L236 HydrophobicContact CB-CD1 3.44Å; L233-L236 VanDerWaalsContact CB-CD1 3.44Å; L233-L236 HydrophobicContact CD1-CD1 3.94Å; L233-L236 HydrophobicContact CG-CD1 4.36Å; L233-L236 WeakPolarHBondContact O-CD1 3.4Å; L233-L236 PolarHBondContact O-N 3.16Å
234P89.3Confident90.6Very high96 Ų9666.5 Ų66.562%0.62340%0.399SS*.G310 helixtrans-62.8-18.5-176.124.7-34.4000113.4L236 C237P234-L236 PolarHBondContact O-N 3.35Å; P234-C237 WeakPolarHBondContact O-CB 3.39Å; P234-C237 PolarHBondContact O-N 3.19Å
235C91.9Very high90.9Very high30 Ų3066.7 Ų66.720%0.20340%0.399CS..G310 helixtrans-55.5-28.5171.744.70000113.6T186 C187 L233 C237 C238T186-C235 CarbonylContact O-C 3.39Å; C187-C235 HydrophobicContact CB-CB 4.35Å; C187-C235 WeakPolarHBondContact CB-SG 3.43Å; C187-C235 WeakPolarHBondContact SG-CB 3.16Å; C187-C235 CovalentContact SG-SG 2.07Å; C187-C235 PolarHBondContact SG-SG 3.4Å; L233-C235 PolarHBondContact O-N 2.94Å; C235-C237 VanDerWaalsContact C-N 3.27Å; C235-C237 PolarHBondContact O-N 3.06Å; C235-C238 WeakPolarHBondContact O-CB 3.05Å; C235-C238 PolarHBondContact O-N 3.33Å
236L90.3Very high91Very high14 Ų1465.3 Ų65.37%0.07339%0.39CS..G310 helixtrans-64.3-33.3180-9076.9000112.1T186 C187 V191 L229 A230 L233 P234 C238 Y239 P240T186-L236 WeakPolarHBondContact O-CA 3.46Å; T186-L236 WeakPolarHBondContact O-CD1 3.31Å; T186-L236 PolarHBondContact O-N 3.42Å; C187-L236 HydrophobicContact CB-CD1 3.74Å; V191-L236 HydrophobicContact CG2-CD2 3.45Å; V191-L236 VanDerWaalsContact CG2-CD2 3.45Å; V191-L236 HydrophobicContact CG2-CG 4.3Å; L229-L236 HydrophobicContact CB-CD2 4.05Å; A230-L236 HydrophobicContact CB-CB 4.27Å; L233-L236 HydrophobicContact CB-CD1 3.44Å; L233-L236 VanDerWaalsContact CB-CD1 3.44Å; L233-L236 HydrophobicContact CD1-CD1 3.94Å; L233-L236 HydrophobicContact CG-CD1 4.36Å; L233-L236 WeakPolarHBondContact O-CD1 3.4Å; L233-L236 PolarHBondContact O-N 3.16Å; P234-L236 PolarHBondContact O-N 3.35Å; L236-C238 PolarHBondContact O-N 3.27Å; L236-Y239 VanDerWaalsContact O-CB 3.23Å; L236-Y239 WeakPolarHBondContact O-CB 3.39Å; L236-Y239 PolarHBondContact O-N 3.12Å; L236-P240 WeakPolarHBondContact O-CD 3.23Å
237C90.8Very high91.2Very high82 Ų8266.4 Ų66.455%0.55440%0.403SS*.G310 helixtrans-62.8-23.8176.6-64.70000111.8P234 C235 P240 P241P234-C237 WeakPolarHBondContact O-CB 3.39Å; P234-C237 PolarHBondContact O-N 3.19Å; C235-C237 VanDerWaalsContact C-N 3.27Å; C235-C237 PolarHBondContact O-N 3.06Å; C237-P240 WeakPolarHBondContact O-CD 3.22Å; C237-P241 WeakPolarHBondContact O-CD 3.09Å
238C93Very high91.3Very high72 Ų7268.4 Ų68.449%0.48641%0.405SS..G310 helixtrans-82.8-11.4175.3-56.30000113.1T186 C235 L236 P241 A242T186-C238 HydrophobicContact CG2-CB 4.36Å; C235-C238 WeakPolarHBondContact O-CB 3.05Å; C235-C238 PolarHBondContact O-N 3.33Å; L236-C238 PolarHBondContact O-N 3.27Å; C238-P241 VanDerWaalsContact O-CD 3.31Å; C238-P241 WeakPolarHBondContact O-CD 3.33Å; C238-P241 VanDerWaalsContact O-CG 3.31Å; C238-P241 WeakPolarHBondContact O-CG 3.42Å; C238-A242 WeakPolarHBondContact O-CB 3.32Å; C238-A242 PolarHBondContact O-N 3.06Å
239Y93.2Very high91.3Very high26 Ų2665.9 Ų65.910%0.10240%0.396CS..Hα-helixtrans-59.8-53176-180-112.1000114V182 T186 L188 L236 A242 K243V182-Y239 HydrophobicContact CG1-CD2 3.82Å; V182-Y239 HydrophobicContact CG1-CE2 3.95Å; T186-Y239 HydrophobicContact CG2-CD2 4.48Å; T186-Y239 WeakPolarHBondContact OG1-CD2 3.2Å; L188-Y239 HydrophobicContact CB-CD2 4.34Å; L188-Y239 HydrophobicContact CB-CE2 4.49Å; L188-Y239 HydrophobicContact CD1-CD1 4.05Å; L188-Y239 HydrophobicContact CD1-CE1 4.07Å; L188-Y239 HydrophobicContact CD1-CG 4.3Å; L188-Y239 HydrophobicContact CD2-CD2 4.09Å; L188-Y239 HydrophobicContact CD2-CE1 3.94Å; L188-Y239 HydrophobicContact CD2-CE2 3.49Å; L188-Y239 VanDerWaalsContact CD2-CE2 3.49Å; L188-Y239 HydrophobicContact CG-CE2 4.4Å; L236-Y239 VanDerWaalsContact O-CB 3.23Å; L236-Y239 WeakPolarHBondContact O-CB 3.39Å; L236-Y239 PolarHBondContact O-N 3.12Å; Y239-A242 PolarHBondContact O-N 2.93Å; Y239-K243 HydrophobicContact CE1-CD 4.14Å; Y239-K243 HydrophobicContact CE2-CB 4.4Å; Y239-K243 VanDerWaalsContact O-CB 3.31Å; Y239-K243 WeakPolarHBondContact O-CB 3.45Å; Y239-K243 PolarHBondContact O-N 3.45Å; Y239-K243 PolarHBondContact OH-NZ 3.13Å; Y239-K243 VanDerWaalsContact OH-NZ 3.1Å
240P91.4Very high91.4Very high81 Ų8166.3 Ų66.353%0.52640%0.397SS..Hα-helixtrans-56.4-49.217913.3-22.3000113.9L236 C237 K243 M244L236-P240 WeakPolarHBondContact O-CD 3.23Å; C237-P240 WeakPolarHBondContact O-CD 3.22Å; P240-K243 PolarHBondContact O-N 2.91Å; P240-M244 WeakPolarHBondContact O-CB 3.44Å; P240-M244 PolarHBondContact O-N 3.13Å
241P93.7Very high91.3Very high76 Ų7667.5 Ų67.549%0.49440%0.404SS..Hα-helixtrans-68.4-36.6177.825.6-33.5000112.5C237 C238 M244 C245C237-P241 WeakPolarHBondContact O-CD 3.09Å; C238-P241 VanDerWaalsContact O-CD 3.31Å; C238-P241 WeakPolarHBondContact O-CD 3.33Å; C238-P241 VanDerWaalsContact O-CG 3.31Å; C238-P241 WeakPolarHBondContact O-CG 3.42Å; P241-M244 WeakPolarHBondContact O-CB 3.49Å; P241-M244 PolarHBondContact O-N 3.27Å; P241-C245 WeakPolarHBondContact O-CB 3.41Å; P241-C245 PolarHBondContact O-N 3.29Å
242A92.2Very high91.3Very high29 Ų2966 Ų6624%0.2440%0.395CS..Hα-helixtrans-64.3-42176.400000111.8V182 T186 C238 Y239 M244 C245 L246V182-A242 HydrophobicContact CG1-CB 3.78Å; V182-A242 HydrophobicContact CG2-CB 4.27Å; T186-A242 HydrophobicContact CG2-CB 4.24Å; C238-A242 WeakPolarHBondContact O-CB 3.32Å; C238-A242 PolarHBondContact O-N 3.06Å; Y239-A242 PolarHBondContact O-N 2.93Å; A242-M244 VanDerWaalsContact C-N 3.35Å; A242-C245 WeakPolarHBondContact O-CB 3.44Å; A242-C245 PolarHBondContact O-N 2.86Å; A242-L246 WeakPolarHBondContact O-CB 3.32Å; A242-L246 PolarHBondContact O-N 2.73Å
243K91.5Very high91.3Very high107 Ų10763.8 Ų63.847%0.46538%0.375SS..Hα-helixtrans-64.2-40.4175-167.5-173.8-168.8151.80111.8Y239 P240 L246 A247Y239-K243 HydrophobicContact CE1-CD 4.14Å; Y239-K243 HydrophobicContact CE2-CB 4.4Å; Y239-K243 VanDerWaalsContact O-CB 3.31Å; Y239-K243 WeakPolarHBondContact O-CB 3.45Å; Y239-K243 PolarHBondContact O-N 3.45Å; Y239-K243 PolarHBondContact OH-NZ 3.13Å; Y239-K243 VanDerWaalsContact OH-NZ 3.1Å; P240-K243 PolarHBondContact O-N 2.91Å; K243-L246 PolarHBondContact O-N 3.17Å; K243-A247 WeakPolarHBondContact O-CB 3.36Å; K243-A247 PolarHBondContact O-N 2.9Å
244M92.7Very high91.3Very high122 Ų12262.6 Ų62.660%0.60137%0.369SS*.Hα-helixtrans-61.2-47.1174.3-172.272.57400111.1P240 P241 A242 L246 A247 L248P240-M244 WeakPolarHBondContact O-CB 3.44Å; P240-M244 PolarHBondContact O-N 3.13Å; P241-M244 WeakPolarHBondContact O-CB 3.49Å; P241-M244 PolarHBondContact O-N 3.27Å; A242-M244 VanDerWaalsContact C-N 3.35Å; M244-L246 VanDerWaalsContact C-N 3.34Å; M244-L246 PolarHBondContact O-N 3.44Å; M244-A247 PolarHBondContact O-N 3.29Å; M244-L248 HydrophobicContact CG-CD1 4.32Å; M244-L248 WeakPolarHBondContact O-CG 3.32Å; M244-L248 PolarHBondContact O-N 3.44Å
245C93.2Very high91.1Very high71 Ų7165.5 Ų65.548%0.4837%0.368SS..Hα-helixtrans-58.2-47176.9-175.70000111.2P241 A242 A247 L248 C249P241-C245 WeakPolarHBondContact O-CB 3.41Å; P241-C245 PolarHBondContact O-N 3.29Å; A242-C245 WeakPolarHBondContact O-CB 3.44Å; A242-C245 PolarHBondContact O-N 2.86Å; C245-A247 PolarHBondContact O-N 3.43Å; C245-L248 PolarHBondContact O-N 3.35Å; C245-C249 WeakPolarHBondContact O-CB 3.46Å; C245-C249 PolarHBondContact O-N 2.87Å; C245-C249 PolarHBondContact O-SG 3.34Å
246L91.6Very high90.9Very high24 Ų2468 Ų6813%0.12639%0.39CS..Hα-helixtrans-60.2-43.9177-178.2147.9000112.1A178 E179 V182 A242 K243 M244 L248 C249 Q250A178-L246 VanDerWaalsContact C-CD1 3.42Å; A178-L246 HydrophobicContact CB-CD1 3.7Å; A178-L246 WeakPolarHBondContact O-CD1 3.49Å; E179-L246 HydrophobicContact CG-CD1 3.99Å; E179-L246 HydrophobicContact CG-CD2 4.11Å; V182-L246 HydrophobicContact CG2-CD1 3.95Å; A242-L246 WeakPolarHBondContact O-CB 3.32Å; A242-L246 PolarHBondContact O-N 2.73Å; K243-L246 PolarHBondContact O-N 3.17Å; M244-L246 VanDerWaalsContact C-N 3.34Å; M244-L246 PolarHBondContact O-N 3.44Å; L246-L248 VanDerWaalsContact C-N 3.34Å; L246-L248 PolarHBondContact O-N 3.1Å; L246-C249 PolarHBondContact O-N 3.28Å; L246-Q250 VanDerWaalsContact CD2-CD 3.47Å; L246-Q250 HydrophobicContact CD2-CG 4.18Å; L246-Q250 VanDerWaalsContact CD2-NE2 3.31Å; L246-Q250 WeakPolarHBondContact O-CB 3.32Å; L246-Q250 VanDerWaalsContact O-CG 3.3Å; L246-Q250 WeakPolarHBondContact O-CG 3.39Å; L246-Q250 PolarHBondContact O-N 3.32Å
247A91.2Very high90.7Very high47 Ų4770.3 Ų70.339%0.38841%0.405SS..Hα-helixtrans-64-38.2176.800000112.4K243 M244 C245 C251K243-A247 WeakPolarHBondContact O-CB 3.36Å; K243-A247 PolarHBondContact O-N 2.9Å; M244-A247 PolarHBondContact O-N 3.29Å; C245-A247 PolarHBondContact O-N 3.43Å; A247-C251 VanDerWaalsContact O-CB 3.27Å; A247-C251 WeakPolarHBondContact O-CB 3.42Å; A247-C251 PolarHBondContact O-N 2.69Å
248L92.3Very high90.4Very high99 Ų9968.1 Ų68.152%0.51839%0.385SS..Hα-helixtrans-66.9-44.6174.4-70.4173.2000111.6M244 C245 L246 C251 I252M244-L248 HydrophobicContact CG-CD1 4.32Å; M244-L248 WeakPolarHBondContact O-CG 3.32Å; M244-L248 PolarHBondContact O-N 3.44Å; C245-L248 PolarHBondContact O-N 3.35Å; L246-L248 VanDerWaalsContact C-N 3.34Å; L246-L248 PolarHBondContact O-N 3.1Å; L248-C251 WeakPolarHBondContact O-CB 3.49Å; L248-C251 PolarHBondContact O-N 3.04Å; L248-I252 VanDerWaalsContact O-CG1 3.3Å; L248-I252 WeakPolarHBondContact O-CG1 3.49Å; L248-I252 PolarHBondContact O-N 3.25Å
249C90.4Very high89.9Confident59 Ų5967.8 Ų67.840%0.39938%0.382SS..Hα-helixtrans-61.4-44.1175.2-70.60000111.6C245 L246 C251 I252 H253C245-C249 WeakPolarHBondContact O-CB 3.46Å; C245-C249 PolarHBondContact O-N 2.87Å; C245-C249 PolarHBondContact O-SG 3.34Å; L246-C249 PolarHBondContact O-N 3.28Å; C249-C251 VanDerWaalsContact C-N 3.35Å; C249-I252 PolarHBondContact O-N 2.97Å; C249-H253 WeakPolarHBondContact O-CB 3.22Å; C249-H253 PolarHBondContact O-N 3.23Å
250Q90.8Very high89.7Confident43 Ų4366.5 Ų66.520%0.20138%0.377CS..Hα-helixtrans-58.6-46.5172.6-77.1179.2-12.200111.1L164 E179 L246 H253 D254L164-Q250 HydrophobicContact CD1-CB 4.4Å; L164-Q250 HydrophobicContact CD1-CG 3.32Å; L164-Q250 HydrophobicContact CG-CB 4.45Å; L164-Q250 HydrophobicContact CG-CG 3.6Å; E179-Q250 PolarHBondContact OE1-NE2 3.43Å; L246-Q250 VanDerWaalsContact CD2-CD 3.47Å; L246-Q250 HydrophobicContact CD2-CG 4.18Å; L246-Q250 VanDerWaalsContact CD2-NE2 3.31Å; L246-Q250 WeakPolarHBondContact O-CB 3.32Å; L246-Q250 VanDerWaalsContact O-CG 3.3Å; L246-Q250 WeakPolarHBondContact O-CG 3.39Å; L246-Q250 PolarHBondContact O-N 3.32Å; Q250-H253 PolarHBondContact O-N 3.31Å; Q250-D254 VanDerWaalsContact O-CB 3.27Å; Q250-D254 WeakPolarHBondContact O-CB 3.44Å; Q250-D254 PolarHBondContact O-N 3.29Å
251C88.9Confident89.5Confident49 Ų4963 Ų6333%0.33135%0.354SS..Hα-helixtrans-61.5-49.6178.8-177.90000111.3A247 L248 C249 H253 D254 R255A247-C251 VanDerWaalsContact O-CB 3.27Å; A247-C251 WeakPolarHBondContact O-CB 3.42Å; A247-C251 PolarHBondContact O-N 2.69Å; L248-C251 WeakPolarHBondContact O-CB 3.49Å; L248-C251 PolarHBondContact O-N 3.04Å; C249-C251 VanDerWaalsContact C-N 3.35Å; C251-H253 PolarHBondContact O-N 3.13Å; C251-D254 WeakPolarHBondContact O-CB 3.26Å; C251-D254 PolarHBondContact O-N 3.21Å; C251-R255 WeakPolarHBondContact O-CG 3.32Å; C251-R255 PolarHBondContact O-N 3.23Å
252I89.6Confident89.1Confident113 Ų11365.1 Ų65.158%0.57935%0.352SS*.Hα-helixtrans-62.8-43.4179.1-66.8165.8000110.6L248 C249 R255 A256L248-I252 VanDerWaalsContact O-CG1 3.3Å; L248-I252 WeakPolarHBondContact O-CG1 3.49Å; L248-I252 PolarHBondContact O-N 3.25Å; C249-I252 PolarHBondContact O-N 2.97Å; I252-R255 CarbonylContact O-C 3.59Å; I252-R255 WeakPolarHBondContact O-CA 3.2Å; I252-R255 WeakPolarHBondContact O-CB 3.48Å; I252-R255 PolarHBondContact O-N 2.82Å; I252-R255 VanDerWaalsContact O-N 3.08Å; I252-A256 WeakPolarHBondContact O-CB 3.47Å; I252-A256 PolarHBondContact O-N 3.47Å
253H89.8Confident88.9Confident50 Ų5065 Ų6523%0.23135%0.349CS..Hα-helixtrans-59.6-51.2176.1-177.477.5000110.8L164 C249 Q250 C251 R255 A256 T257L164-H253 HydrophobicContact CD2-CB 3.79Å; C249-H253 WeakPolarHBondContact O-CB 3.22Å; C249-H253 PolarHBondContact O-N 3.23Å; Q250-H253 PolarHBondContact O-N 3.31Å; C251-H253 PolarHBondContact O-N 3.13Å; H253-R255 PolarHBondContact O-N 3.23Å; H253-A256 PolarHBondContact O-N 2.89Å; H253-T257 WeakPolarHBondContact CE1-CG2 3.24Å; H253-T257 PolarHBondContact NE2-OG1 3.38Å; H253-T257 PolarHBondContact O-N 3.38Å; H253-T257 PolarHBondContact O-OG1 2.78Å
254D89.3Confident88.5Confident24 Ų2464.4 Ų64.413%0.12836%0.359CS..Hα-helixtrans-54.8-39.4172.8178.169.7000111.4P161 R162 Q250 C251 A256 R258 R262P161-D254 VanDerWaalsContact CA-OD1 3.22Å; P161-D254 WeakPolarHBondContact CA-OD1 3.33Å; R162-D254 PolarHBondContact N-OD1 3.48Å; Q250-D254 VanDerWaalsContact O-CB 3.27Å; Q250-D254 WeakPolarHBondContact O-CB 3.44Å; Q250-D254 PolarHBondContact O-N 3.29Å; C251-D254 WeakPolarHBondContact O-CB 3.26Å; C251-D254 PolarHBondContact O-N 3.21Å; D254-A256 VanDerWaalsContact C-N 3.33Å; D254-A256 PolarHBondContact O-N 3.31Å; D254-R258 WeakPolarHBondContact O-CB 3.49Å; D254-R258 PolarHBondContact O-N 3.09Å; D254-R258 WeakPolarHBondContact OD1-CD 3.41Å; D254-R262 IonicContact OD2-NH2 3.65Å
255R85.9Confident87.6Confident158 Ų15866.3 Ų66.360%0.59637%0.371SS*.Hα-helixtrans-65.5-35.9176.3-52.8-142.5174.3164.1-7113.6C251 I252 H253C251-R255 WeakPolarHBondContact O-CG 3.32Å; C251-R255 PolarHBondContact O-N 3.23Å; I252-R255 CarbonylContact O-C 3.59Å; I252-R255 WeakPolarHBondContact O-CA 3.2Å; I252-R255 WeakPolarHBondContact O-CB 3.48Å; I252-R255 PolarHBondContact O-N 2.82Å; I252-R255 VanDerWaalsContact O-N 3.08Å; H253-R255 PolarHBondContact O-N 3.23Å
256A87Confident86.9Confident81 Ų8164.3 Ų64.367%0.66936%0.357SS*.Hα-helixtrans-83.6-39.5-175.200000112.4I252 H253 D254I252-A256 WeakPolarHBondContact O-CB 3.47Å; I252-A256 PolarHBondContact O-N 3.47Å; H253-A256 PolarHBondContact O-N 2.89Å; D254-A256 VanDerWaalsContact C-N 3.33Å; D254-A256 PolarHBondContact O-N 3.31Å
257T85.6Confident86.4Confident63 Ų6369 Ų6939%0.38738%0.382SS..Hα-helixtrans-100.1-15.1-169.962.60000114.2H253 P259H253-T257 WeakPolarHBondContact CE1-CG2 3.24Å; H253-T257 PolarHBondContact NE2-OG1 3.38Å; H253-T257 PolarHBondContact O-N 3.38Å; H253-T257 PolarHBondContact O-OG1 2.78Å; T257-P259 VanDerWaalsContact O-CD 3.31Å; T257-P259 WeakPolarHBondContact O-CD 3.45Å
258R85.9Confident86Confident37 Ų3770 Ų7014%0.1438%0.383CS..  trans-72.2119.5-178.6-170.3173.9177.7-87.420.4111.3C158 C159 D254 C261C158-R258 WeakPolarHBondContact O-CG 3.2Å; C159-R258 VanDerWaalsContact C-CZ 3.48Å; C159-R258 VanDerWaalsContact C-NE 3.28Å; C159-R258 PolarHBondContact O-NE 2.94Å; C159-R258 PolarHBondContact O-NH2 2.93Å; D254-R258 WeakPolarHBondContact O-CB 3.49Å; D254-R258 PolarHBondContact O-N 3.09Å; D254-R258 WeakPolarHBondContact OD1-CD 3.41Å; R258-C261 PolarHBondContact NH1-O 2.81Å
259P82.8Confident85.4Confident64 Ų6467.6 Ų67.642%0.41637%0.373SS..  trans-78.2-24.4-176.530.5-34.1000113R152 C158 T257R152-P259 WeakPolarHBondContact CD-O 3.44Å; C158-P259 HydrophobicContact CB-CG 4.34Å; T257-P259 VanDerWaalsContact O-CD 3.31Å; T257-P259 WeakPolarHBondContact O-CD 3.45Å
260G87.4Confident84.8Confident0 Ų068.7 Ų68.70%038%0.38CS..SBendtrans-76.1172.7-174.200000116.1R152 C153 C158R152-G260 WeakPolarHBondContact CD-O 3.16Å; C153-G260 CarbonylContact O-C 3.42Å; C153-G260 WeakPolarHBondContact O-CA 3.43Å; C158-G260 WeakPolarHBondContact O-CA 3.27Å; C158-G260 PolarHBondContact O-N 3.21Å
261C88.2Confident83.8Confident7 Ų774.7 Ų74.75%0.04740%0.401CS..  trans-73.9152.7178.6-157.60000112.6C147 C150 R152 C153 K154 R258 C263C147-C261 HydrophobicContact CB-CB 3.77Å; C147-C261 WeakPolarHBondContact CB-SG 3.26Å; C147-C261 PolarHBondContact SG-SG 3.13Å; C150-C261 WeakPolarHBondContact CB-SG 3.41Å; C150-C261 WeakPolarHBondContact SG-CB 2.97Å; C150-C261 CovalentContact SG-SG 2.07Å; C150-C261 PolarHBondContact SG-SG 3.21Å; R152-C261 HydrophobicContact CB-CB 3.95Å; C153-C261 PolarHBondContact O-N 3.12Å; K154-C261 HydrophobicContact CG-CB 4.06Å; R258-C261 PolarHBondContact NH1-O 2.81Å; C261-C263 PolarHBondContact SG-SG 2.98Å
262R85.6Confident82.6Confident120 Ų12079.3 Ų79.345%0.45342%0.416SS..  trans-126.510.9-179.7-54.8-176.873.5160.118.3113.1D254 S264D254-R262 IonicContact OD2-NH2 3.65Å; R262-S264 PolarHBondContact O-N 3.11Å
263C86.6Confident81.3Confident26 Ų2678.5 Ų78.518%0.17641%0.412CS..  trans-72.8121.5-177-68.60000110.3R149 C261 T266R149-C263 VanDerWaalsContact CZ-CB 3.48Å; R149-C263 VanDerWaalsContact CZ-SG 3.51Å; R149-C263 PolarHBondContact NE-SG 3.13Å; R149-C263 VanDerWaalsContact NH2-CA 3.28Å; R149-C263 PolarHBondContact NH2-SG 3.42Å; C261-C263 PolarHBondContact SG-SG 2.98Å; C263-T266 HydrophobicContact CB-CG2 3.48Å; C263-T266 VanDerWaalsContact CB-CG2 3.48Å
264S84.3Confident79.3Confident95 Ų9580.5 Ų80.566%0.66443%0.431SS*.SBendtrans-67.7133.3166.5-172.90000109.5R149 R262R149-S264 PolarHBondContact NH1-O 3.32Å; R262-S264 PolarHBondContact O-N 3.11Å
265N73.1Confident77.3Confident163 Ų16384.6 Ų84.687%0.87247%0.468SS*.SBendtrans45.272.6175.4-97.3-72.1000114.6
266T79.3Confident75.3Confident28 Ų2881.9 Ų81.917%0.17247%0.473CS..  trans-129.2144.8168.871.90000110.2C147 R149 K154 C263C147-T266 PolarHBondContact SG-OG1 2.94Å; R149-T266 HydrophobicContact CB-CG2 3.99Å; R149-T266 VanDerWaalsContact NH1-CG2 3.34Å; K154-T266 WeakPolarHBondContact CE-OG1 3.41Å; K154-T266 PolarHBondContact NZ-O 2.93Å; K154-T266 PolarHBondContact NZ-OG1 3.12Å; C263-T266 HydrophobicContact CB-CG2 3.48Å; C263-T266 VanDerWaalsContact CB-CG2 3.48Å
267N80.3Confident72.9Confident124 Ų12485.3 Ų85.366%0.66348%0.481SS*.  trans-58.2151.5168.7-63.9-49000110.7E148E148-N267 WeakPolarHBondContact OE2-CB 3.48Å
268T83Confident70.9Confident66 Ų6688.5 Ų88.541%0.40550%0.502SS..EExtended strand (participates in β ladder)trans-112.9134.5176.645.40000108.6I146 K154I146-T268 WeakPolarHBondContact O-CA 3.3Å; K154-T268 HydrophobicContact CB-CG2 4.31Å; K154-T268 HydrophobicContact CD-CG2 3.39Å; K154-T268 HydrophobicContact CG-CG2 3.95Å
269V80.1Confident69.1Low49 Ų4993.2 Ų93.230%0.29753%0.53SS..EExtended strand (participates in β ladder)trans-105132.6169.9177.60000108L144 I146 E148 R271L144-V269 VanDerWaalsContact O-O 3.08Å; I146-V269 PolarHBondContact N-O 3.45Å; I146-V269 PolarHBondContact O-N 3.25Å; E148-V269 VanDerWaalsContact CD-CG2 3.5Å; E148-V269 HydrophobicContact CG-CB 4.33Å; E148-V269 HydrophobicContact CG-CG2 3.36Å; E148-V269 WeakPolarHBondContact OE1-CG2 2.95Å; V269-R271 HydrophobicContact CG1-CG 4.06Å; V269-R271 PolarHBondContact O-N 3.13Å
270C76.6Confident67Low83 Ų8395.3 Ų95.356%0.56155%0.553SS**EExtended strand (participates in β ladder)trans-74.7104.3168.5-65.70000108.4L144 F145L144-C270 WeakPolarHBondContact O-CA 3.41Å; F145-C270 VanDerWaalsContact CE1-SG 3.57Å
271R70.1Confident64.8Low168 Ų16898.1 Ų98.163%0.63458%0.582SS**  trans-111123.8168.4-79.4-172.3171.7151.7-0.1108.4L144 I146 V269 I273L144-R271 VanDerWaalsContact CA-O 3.27Å; L144-R271 WeakPolarHBondContact CA-O 3.42Å; L144-R271 WeakPolarHBondContact CB-O 3.26Å; L144-R271 WeakPolarHBondContact CG-O 3.3Å; L144-R271 PolarHBondContact O-N 3.07Å; I146-R271 HydrophobicContact CG1-CB 4.41Å; V269-R271 HydrophobicContact CG1-CG 4.06Å; V269-R271 PolarHBondContact O-N 3.13Å; R271-I273 PolarHBondContact O-N 2.92Å
272K63.6Low62.3Low147 Ų147106.1 Ų106.164%0.63962%0.618SS**  trans-67.1101.7167.8-168169.8-174.8176.40107.4L144 S274L144-K272 HydrophobicContact CD2-CB 3.98Å; L144-K272 HydrophobicContact CD2-CG 4.35Å; K272-S274 VanDerWaalsContact C-N 3.33Å; K272-S274 PolarHBondContact O-N 3.46Å
273I62.3Low60.4Low96 Ų96105.9 Ų105.949%0.49263%0.632SS.*  trans-74.994.2173.6-49.6176000105.8H143 I146 R271 A275H143-I273 HydrophobicContact CB-CD1 4Å; H143-I273 WeakPolarHBondContact O-CD1 3.47Å; I146-I273 HydrophobicContact CD1-CD1 3.7Å; I146-I273 HydrophobicContact CD1-CG1 4.45Å; I146-I273 HydrophobicContact CG1-CD1 4.27Å; R271-I273 PolarHBondContact O-N 2.92Å; I273-A275 PolarHBondContact O-N 3.45Å; I273-A275 VanDerWaalsContact O-N 3.16Å
274S48Very low58.1Low92 Ų92110.7 Ų110.764%0.64366%0.663SS**  trans-61.3118164.6-630000107K272 S276K272-S274 VanDerWaalsContact C-N 3.33Å; K272-S274 PolarHBondContact O-N 3.46Å; S274-S276 VanDerWaalsContact C-N 3.28Å; S274-S276 PolarHBondContact O-N 3.24Å
275A48.1Very low55.9Low109 Ų109114.3 Ų114.390%0.90167%0.674SS**  trans-64.186.9178.500000110.1I273I273-A275 PolarHBondContact O-N 3.45Å; I273-A275 VanDerWaalsContact O-N 3.16Å
276S43.8Very low54.2Low102 Ų102116.1 Ų116.171%0.71367%0.668SS**  trans-137.4110.7163.857.50000110.8S274S274-S276 VanDerWaalsContact C-N 3.28Å; S274-S276 PolarHBondContact O-N 3.24Å
277N37Very low52.3Low153 Ų153119.7 Ų119.782%0.81870%0.695SS**  trans75.6109.2164.3-108.5-32000119.9N279N277-N279 PolarHBondContact O-N 2.84Å
278P43.1Very low50.2Low130 Ų130121.6 Ų121.684%0.84470%0.697SS**  trans-87.174.7166.935.8-29.5000110
279N46.9Very low48.2Very low136 Ų136125.4 Ų125.473%0.72772%0.715SS**  trans-154.3100.7157.9-157.7-6.1000111.5N277N277-N279 PolarHBondContact O-N 2.84Å
280A40Very low46.4Very low108 Ų108130 Ų13089%0.89374%0.737SS**  trans-147.561.1163.700000108.9
281G40.8Very low44.6Very low58 Ų58135.3 Ų135.360%0.59875%0.754SS**  trans-111.163.2169.900000111.1
282H36.2Very low43.2Very low176 Ų176135.7 Ų135.782%0.81576%0.76SS**  trans-144.2123.6162.1-92.1-78.5000110.3
283P45Very low41.9Very low115 Ų115134.3 Ų134.375%0.74777%0.769SS**  trans-75140.616830-30.4000109.8L285P283-L285 PolarHBondContact O-N 3.48Å
284P38.4Very low40.8Very low126 Ų126141.7 Ų141.782%0.81881%0.808SS**  trans-75.2111.3173.529.4-29000109.1R286P284-R286 PolarHBondContact O-N 3.21Å; P284-R286 VanDerWaalsContact O-N 3.15Å
285L37.4Very low40.5Very low171 Ų171144.2 Ų144.290%0.89582%0.816SS**  trans-61.2110.3160.6-100158.5000107.7P283 S287P283-L285 PolarHBondContact O-N 3.48Å; L285-S287 PolarHBondContact O-N 3.26Å; L285-S287 VanDerWaalsContact O-N 3.11Å
286R38Very low40.1Very low202 Ų202146.1 Ų146.176%0.76281%0.812SS**  trans-74.596.3178.7-165.5-169.5-175.2-173.84.6109.1P284 K288P284-R286 PolarHBondContact O-N 3.21Å; P284-R286 VanDerWaalsContact O-N 3.15Å; R286-K288 PolarHBondContact O-N 3.43Å
287S38.5Very low39.9Very low103 Ų103148.5 Ų148.572%0.7282%0.817SS**  trans-61.3123162.7-610000109.2L285L285-S287 PolarHBondContact O-N 3.26Å; L285-S287 VanDerWaalsContact O-N 3.11Å
288K37.6Very low40Very low163 Ų163148.2 Ų148.271%0.70982%0.817SS**  trans-111.292.1161.5-80.5-176.8173-178.60106.6R286R286-K288 PolarHBondContact O-N 3.43Å
289D41.1Very low39.8Very low147 Ų147149.4 Ų149.479%0.78682%0.815SS**  trans-81.3113.7160.9-84.8-63.4000108.9
290L41.4Very low39.4Very low144 Ų144150.3 Ų150.375%0.75482%0.821SS**  33.2104.3127.2-157.173.5000118
291E39.4Very low39.3Very low196 Ų196153.3 Ų153.392%0.91682%0.816SS**  trans-114.2117.9151.2-165.5170.288.500108.9
292K39.8Very low39.2Very low175 Ų175160.6 Ų160.676%0.76183%0.833SS**  trans-85.5130.3168.2-87.8173.6170.8175.60108.8
293S37.1Very low39.5Very low119 Ų119159.3 Ų159.383%0.83284%0.835SS**  trans-177.6102.1142.7-84.40000110
294L39.9Very low39Very low251 Ų251163.4 Ų163.4100%1.31484%0.843SS**  -178.60103.2-146.692.3000109.1

Retrieved 294 of 294 residues in 95.6 ms (Link to these results)