A0A096NGC7_PAPAN Loading...

Protein sprouty homolog 1

AlphaFold DB , UniProt , Accession A0A096NGC7, Species PAPAN (Papio anubis, Olive baboon), Gene SPRY1, Length 319 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
1M32.1Very low32.9Very low239 Ų239141.9 Ų141.9100%1.17784%0.843SS**  0111.20-73.4-178.717500106.4
2D39.1Very low32.7Very low153 Ų153139.9 Ų139.982%0.81884%0.842SS**  trans-71.4162.5164.3-60.4-101000109.9
3P43Very low32.5Very low133 Ų133140.5 Ų140.586%0.86484%0.837SS**  -126.7174.5118.536.9-32.1000113.4
4Q33.8Very low32.2Very low174 Ų174140.1 Ų140.181%0.81384%0.835SS**  trans-138140.8-155.9169.2-172.53.100109.9
5N30.1Very low32.1Very low133 Ų133138.1 Ų138.171%0.71182%0.824SS**  trans143.2153.5163.8-83.1-25.2000111.8
6Q34.3Very low32.1Very low149 Ų149140.2 Ų140.270%0.69683%0.827SS**  cis-162.4169.1-25.9-129.2-176.383.100109.7
7H30.8Very low31.9Very low171 Ų171141.5 Ų141.579%0.79282%0.823SS**  trans13131.7161.1-83.8-81.2000122.1
8G28.6Very low32Very low81 Ų81142.8 Ų142.884%0.83582%0.821SS**  trans-163.6104.8158.600000112.7
9S29.7Very low32.2Very low124 Ų124142.1 Ų142.187%0.86782%0.821SS**  trans-90.4137.2176-59.20000111
10G30.1Very low32Very low83 Ų83139.6 Ų139.686%0.85681%0.812SS**  trans-164.4116.517500000113
11S29.8Very low32.1Very low121 Ų121140.2 Ų140.285%0.84681%0.812SS**  trans-105133.7170.3179.50000109.4
12S30.7Very low31.9Very low118 Ų118135 Ų13583%0.82579%0.789SS**  trans-156.4160.6156.8-162.30000110.8
13L30Very low31.3Very low148 Ų148133.9 Ų133.978%0.77578%0.783SS**  trans-119.8179-173-77.5162.5000111.2
14V29Very low30.6Very low135 Ų135137.2 Ų137.282%0.81878%0.778SS**  trans87.8150.6154.5-154.70000117.6
15V30.1Very low30.5Very low109 Ų109135.6 Ų135.666%0.66177%0.77SS**  trans92.587167-164.40000116.2Q17V15-Q17 HydrophobicContact CG1-CB 4.42Å
16I31.8Very low30.5Very low172 Ų172139.7 Ų139.788%0.88278%0.776SS**  trans-93.4113.9150.1-64.6175.1000107
17Q29.3Very low30.5Very low162 Ų162140.4 Ų140.476%0.75778%0.784SS**  trans-96.7128.7175.3-169.483.219.300109.3V15V15-Q17 HydrophobicContact CG1-CB 4.42Å
18Q34.1Very low30.5Very low166 Ų166138.1 Ų138.178%0.77678%0.777SS**  trans-76.1158169.8-71.8-177.5-23.100111.8
19P34.5Very low30.7Very low128 Ų128145.6 Ų145.683%0.83178%0.782SS**  trans-112.4164.9131.335.1-32.1000111.6
20S29.1Very low30.9Very low92 Ų92148.8 Ų148.864%0.64378%0.783SS**  trans-133.6179.9-169.655.20000112.5
21L33.1Very low31.2Very low153 Ų153155.6 Ų155.680%0.80178%0.783SS**  trans76.6146.9174.8-41.4-177.4000114.6
22D27.8Very low31.4Very low130 Ų130157 Ų15770%0.69578%0.776SS**  cis-147.3145.9-5.8-143.7-114.8000114.1
23N27Very low31.7Very low130 Ų130158.6 Ų158.670%0.69577%0.774SS**  trans7.1121.9149.5-1708.8000121
24R29.6Very low32.1Very low202 Ų202158.2 Ų158.276%0.76277%0.768SS**  -174.7135.4118.9-101.9172.175.3149.8-2.3116.6
25Q30Very low32.7Very low140 Ų140157.2 Ų157.265%0.65476%0.764SS**  trans63.594.1145.7-67.1178.8-62.100122
26R30.8Very low33.5Very low220 Ų220156.3 Ų156.383%0.8377%0.768SS**  54.2107.9109.3-170-165.7-166.9-168.47.3119.2
27L33.4Very low34.6Very low163 Ų163152.5 Ų152.585%0.85376%0.763SS**  -159.6141.6120.5-113.5166.4000111.9
28D31.8Very low35.8Very low124 Ų124153 Ų15366%0.66377%0.769SS**  trans-70.4141.3-179.3-55.8-108.7000113.2
29Y32.6Very low37.2Very low238 Ų238149.2 Ų149.293%0.93375%0.754SS**  176.691122.9-104.1-70.6000110.8
30E33.6Very low38.6Very low190 Ų190146.2 Ų146.289%0.88874%0.735SS**  trans-127137.3156.8-163.7172.4143.100109.6E32E30-E32 PolarHBondContact O-N 3.07Å
31R36.8Very low39.9Very low227 Ų227147.9 Ų147.986%0.85774%0.737SS**  trans-89.3107.8-172.6179.6175.9-67.9-171.2-1.6109.8I33R31-I33 PolarHBondContact O-N 2.99Å; R31-I33 VanDerWaalsContact O-N 3.09Å
32E33.7Very low41.2Very low149 Ų149145.5 Ų145.570%0.69673%0.725SS**  trans-43.1110.2176.8-170-173.8159.300113E30 Q34E30-E32 PolarHBondContact O-N 3.07Å; E32-Q34 PolarHBondContact O-N 3.08Å; E32-Q34 PolarHBondContact OE1-NE2 2.85Å
33I37.5Very low42.8Very low152 Ų152143.9 Ų143.978%0.77971%0.713SS**  trans-82.194.5171.8-61.8174.3000107.5R31 P35R31-I33 PolarHBondContact O-N 2.99Å; R31-I33 VanDerWaalsContact O-N 3.09Å; I33-P35 WeakPolarHBondContact O-CD 3.39Å
34Q38Very low44.4Very low140 Ų140141.1 Ų141.165%0.65470%0.697SS**PPolyproline II helixtrans-54.1118.6172.5-78.1-82.6-31.900110.6E32 A36E32-Q34 PolarHBondContact O-N 3.08Å; E32-Q34 PolarHBondContact OE1-NE2 2.85Å; Q34-A36 PolarHBondContact O-N 2.93Å
35P42.4Very low45.8Very low114 Ų114137.6 Ų137.674%0.7469%0.687SS**PPolyproline II helixtrans-70.6123.1175.728.5-32.7000109.6I33 A37I33-P35 WeakPolarHBondContact O-CD 3.39Å; P35-A37 PolarHBondContact O-N 3.04Å
36A45.8Very low47.1Very low90 Ų90134.3 Ų134.374%0.74468%0.684SS**PPolyproline II helixtrans-60.1122-178.600000111.1Q34 I38Q34-A36 PolarHBondContact O-N 2.93Å; A36-I38 PolarHBondContact O-N 2.65Å
37A54.6Low48.4Very low93 Ų93129 Ų12977%0.76967%0.672SS**  trans-64.6108.5-177.700000111.3P35 L39P35-A37 PolarHBondContact O-N 3.04Å; A37-L39 PolarHBondContact O-N 2.91Å; A37-L39 VanDerWaalsContact O-N 3.11Å
38I56.2Low49.6Very low172 Ų172131.5 Ų131.588%0.88267%0.669SS**  trans-75.1101.5178.3-56.1177.6000108.6A36A36-I38 PolarHBondContact O-N 2.65Å
39L63Low50.7Low87 Ų87128.8 Ų128.846%0.45567%0.671SS.*  trans-63.3146174.8-63.2173.4000111A37 Q43A37-L39 PolarHBondContact O-N 2.91Å; A37-L39 VanDerWaalsContact O-N 3.11Å; L39-Q43 HydrophobicContact CB-CB 4.37Å
40S64.8Low51.5Low64 Ų64121.6 Ų121.645%0.44866%0.655SS.*  trans-72157-176.474.20000112.3D42 Q43 I44S40-D42 PolarHBondContact O-N 2.88Å; S40-Q43 WeakPolarHBondContact O-CB 3.43Å; S40-Q43 PolarHBondContact O-N 3.32Å; S40-I44 PolarHBondContact O-N 3.32Å; S40-I44 VanDerWaalsContact O-N 3.17Å
41L56.3Low52.5Low128 Ų128116.9 Ų116.967%0.6764%0.637SS**Hα-helixtrans-58-26.9-175-128.4162.1000113K45L41-K45 WeakPolarHBondContact O-CG 3.31Å; L41-K45 PolarHBondContact O-N 3.16Å
42D60Low53.5Low102 Ų102115 Ų11555%0.54564%0.637SS.*Hα-helixtrans-83.8-28.8177.8-59.5-54000113.6S40 I44 K45 A46S40-D42 PolarHBondContact O-N 2.88Å; D42-I44 VanDerWaalsContact C-N 3.3Å; D42-K45 PolarHBondContact O-N 2.92Å; D42-K45 WeakPolarHBondContact OD1-CE 3.36Å; D42-K45 IonicContact OD1-NZ 2.68Å; D42-K45 PolarHBondContact OD1-NZ 3.32Å; D42-A46 PolarHBondContact O-N 3.27Å; D42-A46 VanDerWaalsContact O-N 3.12Å
43Q60.3Low54.3Low96 Ų96118.8 Ų118.845%0.44965%0.647SS.*Hα-helixtrans-64.2-38.6166.6-71.4178.1-66.100111L39 S40 K45 A46 I47L39-Q43 HydrophobicContact CB-CB 4.37Å; S40-Q43 WeakPolarHBondContact O-CB 3.43Å; S40-Q43 PolarHBondContact O-N 3.32Å; Q43-K45 VanDerWaalsContact C-N 3.31Å; Q43-K45 PolarHBondContact O-N 3.49Å; Q43-A46 PolarHBondContact O-N 2.93Å; Q43-I47 WeakPolarHBondContact O-CG1 3.29Å; Q43-I47 PolarHBondContact O-N 2.04Å; Q43-I47 VanDerWaalsContact O-N 3.15Å
44I60.7Low55.3Low72 Ų72116.7 Ų116.737%0.36964%0.641SS.*Hα-helixtrans-65.7-34.5177.5-60.9170.4000111.3S40 D42 R48S40-I44 PolarHBondContact O-N 3.32Å; S40-I44 VanDerWaalsContact O-N 3.17Å; D42-I44 VanDerWaalsContact C-N 3.3Å; I44-R48 PolarHBondContact O-N 3.42Å
45K59.7Low56.2Low128 Ų128117.3 Ų117.356%0.55764%0.644SS**Hα-helixtrans-65.7-45.1172.3-70.4170.1-164.8162.10112L41 D42 Q43 I47 R48 G49L41-K45 WeakPolarHBondContact O-CG 3.31Å; L41-K45 PolarHBondContact O-N 3.16Å; D42-K45 PolarHBondContact O-N 2.92Å; D42-K45 WeakPolarHBondContact OD1-CE 3.36Å; D42-K45 IonicContact OD1-NZ 2.68Å; D42-K45 PolarHBondContact OD1-NZ 3.32Å; Q43-K45 VanDerWaalsContact C-N 3.31Å; Q43-K45 PolarHBondContact O-N 3.49Å; K45-I47 VanDerWaalsContact C-N 3.33Å; K45-I47 PolarHBondContact O-N 3.39Å; K45-R48 PolarHBondContact O-N 3.01Å; K45-G49 PolarHBondContact O-N 2.9Å; K45-G49 VanDerWaalsContact O-N 3.13Å
46A58.1Low56.6Low71 Ų71114.8 Ų114.859%0.58764%0.639SS**Hα-helixtrans-58.3-44.6179.100000111.9D42 Q43 R48 G49D42-A46 PolarHBondContact O-N 3.27Å; D42-A46 VanDerWaalsContact O-N 3.12Å; Q43-A46 PolarHBondContact O-N 2.93Å; A46-R48 VanDerWaalsContact C-N 3.31Å; A46-R48 PolarHBondContact O-N 2.89Å; A46-G49 PolarHBondContact O-N 2.9Å; A46-G49 VanDerWaalsContact O-N 3.16Å
47I57.9Low56.5Low110 Ų110116.6 Ų116.656%0.56464%0.643SS**Hα-helixtrans-65.5-31.8178.9-63.8164.1000112.1Q43 K45Q43-I47 WeakPolarHBondContact O-CG1 3.29Å; Q43-I47 PolarHBondContact O-N 2.04Å; Q43-I47 VanDerWaalsContact O-N 3.15Å; K45-I47 VanDerWaalsContact C-N 3.33Å; K45-I47 PolarHBondContact O-N 3.39Å
48R58.1Low56Low214 Ų214117.6 Ų117.681%0.80865%0.645SS**Hα-helixtrans-83-7.5176-73-174.2176.2-171.9-0114.4I44 K45 A46I44-R48 PolarHBondContact O-N 3.42Å; K45-R48 PolarHBondContact O-N 3.01Å; A46-R48 VanDerWaalsContact C-N 3.31Å; A46-R48 PolarHBondContact O-N 2.89Å
49G54.3Low55.2Low68 Ų68115.4 Ų115.470%0.70164%0.639SS**Hα-helixtrans-79.6-30.5178.200000113.9K45 A46K45-G49 PolarHBondContact O-N 2.9Å; K45-G49 VanDerWaalsContact O-N 3.13Å; A46-G49 PolarHBondContact O-N 2.9Å; A46-G49 VanDerWaalsContact O-N 3.16Å
50S49.7Very low54.3Low86 Ų86117.3 Ų117.360%0.60165%0.654SS**  trans-94.8112179.352.10000111.2
51N55Low53Low92 Ų92123.4 Ų123.449%0.49267%0.672SS.*  trans-112.396.1178.3-173.447.7000110.6Y53 T54 E55N51-Y53 PolarHBondContact O-N 3.29Å; N51-T54 WeakPolarHBondContact CB-OG1 3.48Å; N51-T54 PolarHBondContact ND2-OG1 2.83Å; N51-T54 PolarHBondContact O-N 2.84Å; N51-T54 PolarHBondContact O-OG1 3.21Å; N51-E55 PolarHBondContact O-N 3.07Å
52E57.4Low51.8Low186 Ų186128.7 Ų128.787%0.86968%0.683SS**THydrogen-bonded Turntrans-61.7-16.5-171.6-161.5169.9108.900114.2T54E52-T54 VanDerWaalsContact C-N 3.31Å
53Y51.2Low50.6Low230 Ų230129.7 Ų129.790%0.90270%0.695SS**THydrogen-bonded Turntrans-77.5-10172-90-94000114.7N51N51-Y53 PolarHBondContact O-N 3.29Å
54T58.9Low49.2Very low108 Ų108129.6 Ų129.666%0.66371%0.711SS**THydrogen-bonded Turntrans-116.1-22.4-179.225.10000114.2N51 E52N51-T54 WeakPolarHBondContact CB-OG1 3.48Å; N51-T54 PolarHBondContact ND2-OG1 2.83Å; N51-T54 PolarHBondContact O-N 2.84Å; N51-T54 PolarHBondContact O-OG1 3.21Å; E52-T54 VanDerWaalsContact C-N 3.31Å
55E56Low48.3Very low152 Ų152132.4 Ų132.471%0.7173%0.734SS**SBendtrans-114.9108.8179.6-62.2-163.9151.100110.8N51N51-E55 PolarHBondContact O-N 3.07Å
56G51.6Low47Very low61 Ų61137.9 Ų137.963%0.62975%0.751SS**  trans-66.6163.9174.200000112.7S58G56-S58 PolarHBondContact O-N 2.95Å; G56-S58 VanDerWaalsContact O-N 3.11Å
57P43.6Very low45.8Very low128 Ų128141.5 Ų141.583%0.83177%0.766SS**  trans-57.1116.3-167.921.9-33.9000112.9V59P57-V59 PolarHBondContact O-N 2.92Å
58S42.8Very low45Very low115 Ų115140.8 Ų140.880%0.80478%0.777SS**  trans-77.592.8-171.947.60000112.4G56 V60G56-S58 PolarHBondContact O-N 2.95Å; G56-S58 VanDerWaalsContact O-N 3.11Å; S58-V60 PolarHBondContact O-N 3.31Å; S58-V60 VanDerWaalsContact O-N 3.15Å
59V39.3Very low44.3Very low125 Ų125136.1 Ų136.176%0.75877%0.774SS**  trans-68.3112.4175.1-179.20000110.5P57 K61P57-V59 PolarHBondContact O-N 2.92Å; V59-K61 PolarHBondContact O-N 3.3Å
60V44.9Very low43.1Very low127 Ų127143.4 Ų143.477%0.7778%0.78SS**  trans-46.8127.6178.1177.40000112.6S58S58-V60 PolarHBondContact O-N 3.31Å; S58-V60 VanDerWaalsContact O-N 3.15Å
61K36.6Very low42.3Very low192 Ų192147.3 Ų147.384%0.83579%0.789SS**  trans-134.1130.8162.5-69.3-169.4177.5-179.70111.7V59V59-K61 PolarHBondContact O-N 3.3Å
62R32.7Very low41.2Very low240 Ų240150.9 Ų150.991%0.90680%0.803SS**  trans-84.5162.5172.7-76.3179.8177.1166.4-0.9110.5
63P33.6Very low39.9Very low123 Ų123151.9 Ų151.980%0.79980%0.804SS**  trans-96.9172-157.537.3-37.8000116.7
64A31.6Very low39.2Very low94 Ų94147.7 Ų147.778%0.77779%0.792SS**  trans79159.3163.200000117.9
65P40.9Very low37.8Very low131 Ų131151.5 Ų151.585%0.85180%0.803SS**  cis-121.1-169.9-2.930.5-8.9000115.1
66R33.6Very low36.9Very low242 Ų242152.6 Ų152.691%0.91380%0.801SS**  trans-84.1150.2-165.9-55.8169.1175.7175.2-3.5115.6
67T31.9Very low36.2Very low147 Ų147155.7 Ų155.790%0.90281%0.807SS**  trans-144.2160.9140.735.30000109.7
68A41.3Very low35.8Very low96 Ų96155.1 Ų155.179%0.79379%0.793SS**  trans-159.1-177.4-172.500000109.9
69P43.8Very low35.6Very low115 Ų115156.9 Ų156.975%0.74779%0.789SS**  cis-135-166.1-5.842.4-24.7000114.6
70R29.7Very low35.5Very low222 Ų222159 Ų15984%0.83879%0.794SS**  trans74.2153.6167.8-87.4-173.8158.9-179.9-5.7117.4
71Q32.5Very low35.2Very low168 Ų168160 Ų16079%0.78579%0.793SS**  cis-127157.86.1-152.7170.7-36.200113.8
72E31.8Very low35.2Very low167 Ų167156.2 Ų156.278%0.7879%0.789SS**  trans-100.3141.5-171.3176.3-174.2178.500111.8
73K30.3Very low35.5Very low206 Ų206152.1 Ų152.190%0.89678%0.783SS**  trans-139.5122.1158.8-168.3-178.3179.5-172.60109.6
74H35Very low35.5Very low142 Ų142153 Ų15366%0.65778%0.781SS**  trans-77123.9-174.3-177.589.3000111.6
75E30.5Very low36Very low188 Ų188154.6 Ų154.688%0.87978%0.781SS**  trans-87.3120.7168.6-169.9173.5145.800108.7
76R36.2Very low35.7Very low176 Ų176154.3 Ų154.366%0.66477%0.772SS**  trans-105.4113.2-170.3-175-175.8170.997.23.4111.4H78R76-H78 PolarHBondContact NE-NE2 3.31Å; R76-H78 PolarHBondContact NH2-NE2 2.83Å; R76-H78 PolarHBondContact O-N 2.84Å
77T37.8Very low36Very low125 Ų125149.6 Ų149.677%0.76777%0.765SS**  trans-55126.1170.1-47.20000112.6
78H36.2Very low36Very low116 Ų116148.9 Ų148.954%0.53776%0.756SS.*  trans-144102.6152.5-83.9-82.1000105.5R76R76-H78 PolarHBondContact NE-NE2 3.31Å; R76-H78 PolarHBondContact NH2-NE2 2.83Å; R76-H78 PolarHBondContact O-N 2.84Å
79E36.6Very low35.8Very low153 Ų153154.6 Ų154.672%0.71576%0.758SS**  97.8120.980.5-88.9175.7162.700111
80I37.7Very low35.4Very low168 Ų168156.3 Ų156.386%0.86276%0.757SS**  trans-83.4118.7-173.8-64.1155.1000108.5P82I80-P82 VanDerWaalsContact O-CD 3.29Å; I80-P82 WeakPolarHBondContact O-CD 3.48Å
81I39.1Very low35.6Very low148 Ų148151.1 Ų151.176%0.75974%0.741SS**  trans-89.2111.8174.6-57.4175.7000108.7I83I81-I83 PolarHBondContact O-N 2.87Å
82P35.7Very low35.5Very low114 Ų114152 Ų15274%0.7474%0.738SS**  trans-76.4111.7175.330.6-32.9000110.2I80 N84I80-P82 VanDerWaalsContact O-CD 3.29Å; I80-P82 WeakPolarHBondContact O-CD 3.48Å; P82-N84 PolarHBondContact O-N 3.34Å
83I38.9Very low35.3Very low154 Ų154151.8 Ų151.879%0.7974%0.736SS**  trans-74.7112.4172.5-61.4178.4000108.6I81 V85I81-I83 PolarHBondContact O-N 2.87Å; I83-V85 PolarHBondContact O-N 3.04Å
84N34.9Very low35.3Very low142 Ų142147.4 Ų147.476%0.75973%0.727SS**  trans-73.1122.5178.6-177.713.6000111.2P82 N86P82-N84 PolarHBondContact O-N 3.34Å; N84-N86 PolarHBondContact O-N 3.38Å
85V41.5Very low35.1Very low126 Ų126145.7 Ų145.776%0.76473%0.731SS**  trans-89.588.9178.2-172.90000109.7I83I83-V85 PolarHBondContact O-N 3.04Å
86N34.2Very low35.4Very low125 Ų125145.5 Ų145.567%0.66873%0.729SS**  trans-106.796176.8-173.435.1000112.1N84 N88N84-N86 PolarHBondContact O-N 3.38Å; N86-N88 PolarHBondContact O-N 3.35Å
87N39.8Very low35.2Very low144 Ų144146 Ų14677%0.7774%0.744SS**  trans-78112.9164.1-96.4-51.9000109.4
88N32.5Very low34.8Very low131 Ų131143 Ų14370%0.70174%0.738SS**  trans-144.8102.7162.6-162.3-5000111.1N86N86-N88 PolarHBondContact O-N 3.35Å
89Y37Very low34.7Very low217 Ų217146.5 Ų146.585%0.85176%0.755SS**  trans-95.3122.7164.8-97-94.7000108
90E35.8Very low34.7Very low151 Ų151143.4 Ų143.471%0.70676%0.755SS**  trans167.1153.3155.9-84.2-94.761.200105.1
91H32.9Very low34.4Very low112 Ų112142.2 Ų142.252%0.51976%0.756SS.*  cis-158.1136.423.2-150.632.9000110.4
92R31.3Very low34.3Very low187 Ų187142.7 Ų142.771%0.70676%0.759SS**  trans55.8150.7149.3-69.2175.7166.9147.2-7.5119.4
93H28.3Very low35Very low162 Ų162141.6 Ų141.675%0.7575%0.752SS**  cis-149.414545.3-91.9-85.6000116.1
94T30.5Very low34.7Very low114 Ų114141.3 Ų141.370%0.69975%0.752SS**  trans34.9127.6140.4-26.90000121.5
95S31Very low34.6Very low106 Ų106141.9 Ų141.974%0.74176%0.755SS**  trans136123.6130.9-69.90000115.6
96H35Very low34.2Very low184 Ų184139.9 Ų139.985%0.85275%0.752SS**  trans-9.3143.1151.2-69.1-105.8000118.7
97L32.9Very low34.2Very low187 Ų187145.6 Ų145.698%0.97976%0.764SS**  trans-136130142.8-148.177.5000111.5
98G29.5Very low34Very low62 Ų62142.2 Ų142.264%0.63976%0.762SS**  trans-166.1140.5173.600000109.7
99H33.1Very low34.5Very low190 Ų190141.6 Ų141.688%0.8877%0.766SS**  trans60.898.9-179-71.7-83.7000118.4
100A36.6Very low34.4Very low88 Ų88138.4 Ų138.473%0.72776%0.762SS**  54.7160.4109.300000122.8
101V32Very low34.5Very low143 Ų143138.6 Ų138.687%0.86777%0.767SS**  trans100.7137.4164.6-173.40000116.7
102L36.1Very low34.5Very low157 Ų157138 Ų13882%0.82278%0.776SS**  trans-94.3-175179.1-12468.7000110
103P51.9Low34.6Very low92 Ų92139.6 Ų139.660%0.59778%0.781SS**  cis-131.6179.4-19.738.4-21.8000113.3
104N32.3Very low34.8Very low147 Ų147136.8 Ų136.879%0.78678%0.78SS**  163.9162.8123-90.6-37.7000116.1
105N31.9Very low34.9Very low155 Ų155137.3 Ų137.383%0.82978%0.783SS**  trans-56.4145.1-178.9-56.5-39.5000116.2
106A32.9Very low35Very low84 Ų84138 Ų13869%0.69479%0.788SS**  178.6135.9110.100000115
107R35.8Very low35.1Very low245 Ų245136.4 Ų136.493%0.92579%0.791SS**  trans52.2127.4146.2-60.6171-176.9149.61.1120.5
108G35.2Very low35Very low72 Ų72131.2 Ų131.274%0.74278%0.783SS**  trans-78.8-174.9161.600000113.4
109P43.7Very low35.2Very low118 Ų118134.1 Ų134.177%0.76679%0.794SS**  -148.8148.571.538.5-20.2000119
110I35Very low35.4Very low151 Ų151130 Ų13077%0.77479%0.792SS**  43.2143.1129.9-41.1176.9000121.5
111L36.3Very low35.2Very low155 Ų155130.4 Ų130.481%0.81280%0.796SS**  trans94.4131.6170.2-52.7176.6000114.9
112S34.1Very low35.4Very low100 Ų100129 Ų12970%0.69979%0.792SS**  cis-157.4141-6.9-101.50000114.3
113R32.7Very low35.4Very low220 Ų220127.7 Ų127.783%0.8380%0.796SS**  trans11124.4138.9-161.6178.5-67.3154.5-0.7117.3
114S32.8Very low34.5Very low103 Ų103126.6 Ų126.672%0.7280%0.802SS**  -166.7124.178.2-60.80000110
115T33.2Very low34.7Very low125 Ų125125.1 Ų125.177%0.76780%0.803SS**  58.7100.877.364.50000117
116S33Very low35Very low120 Ų120125.2 Ų125.284%0.83980%0.803SS**  trans-156.4137.7130.550.30000111.1
117T37Very low35.3Very low151 Ų151126.5 Ų126.593%0.92681%0.808SS**  trans-152.6159.4175.246.20000108.2
118G29.9Very low35.4Very low78 Ų78120.2 Ų120.280%0.80480%0.801SS**  trans120.5139.7169.400000114.3
119S34.1Very low35.3Very low123 Ų123121.5 Ų121.586%0.8681%0.805SS**  trans-129.1172.3-172.6-51.40000111.8
120A36.7Very low34.7Very low102 Ų102120.9 Ų120.984%0.84380%0.803SS**  trans92.9170.6147.700000120.2
121A32.9Very low34.9Very low98 Ų98119.3 Ų119.381%0.8181%0.806SS**  trans87.386.9172.200000119.7
122S36Very low35.1Very low113 Ų113120.1 Ų120.179%0.7981%0.805SS**  trans-22.3150.3146.2-37.70000119.4
123S37Very low35.3Very low129 Ų129124.7 Ų124.790%0.90282%0.816SS**  161.2150114.3-70.60000114.7
124G31.4Very low35.6Very low70 Ų70117.6 Ų117.672%0.72281%0.811SS**  trans151.9131.3165.900000114.5
125S36.7Very low35.7Very low116 Ų116121.1 Ų121.181%0.81182%0.821SS**  trans-161.3130-176-57.10000115.3
126N38.6Very low36Very low156 Ų156124.1 Ų124.183%0.83483%0.831SS**  trans-160.4128.9163.4-10.463000107.2
127S39.5Very low36Very low112 Ų112121.9 Ų121.978%0.78383%0.827SS**  77.6132.565.2-59.50000113.5
128S38.7Very low35.8Very low112 Ų112126.8 Ų126.878%0.78383%0.829SS**  cis-166-178.90.5-94.70000112.1
129A31.4Very low35.9Very low100 Ų100128.3 Ų128.383%0.82683%0.827SS**  trans81.8145.7171.900000117.5
130S32.1Very low36.7Very low105 Ų105127.8 Ų127.873%0.73482%0.821SS**  cis133120-9.1179.40000110.2
131S38.3Very low37.1Very low118 Ų118129 Ų12983%0.82582%0.82SS**  trans-164.9127.1151-168.50000109.8
132E41.1Very low37.1Very low172 Ų172130.7 Ų130.780%0.80482%0.821SS**  trans-119.8122.2179.461.8-166.982.400110.1
133Q38.3Very low37Very low196 Ų196136.6 Ų136.692%0.91683%0.826SS**  trans-145.6100.4165.4-72-162.5-5.200109.8
134G38.5Very low37Very low71 Ų71136 Ų13673%0.73282%0.818SS**  trans-104.5137.5170.100000111.2
135L34.6Very low37.3Very low177 Ų177139 Ų13993%0.92782%0.823SS**  trans-138.4121.3161.8-76.8-180000109.8
136L39.2Very low37.5Very low187 Ų187139.9 Ų139.998%0.97983%0.825SS**  trans-84.2126.5170.8-66.8172.4000109.5
137G33Very low37.2Very low74 Ų74135.7 Ų135.776%0.76382%0.819SS**  trans-141.480.3-170.900000115
138R33.5Very low37.3Very low253 Ų253139.4 Ų139.496%0.95582%0.824SS**  trans28.1121.9154.3-62.1-179.8175.9-173.5-2.1120.2
139S32Very low37.1Very low111 Ų111145.8 Ų145.878%0.77683%0.831SS**  trans-91.5179.1153.357.40000111.1
140P50.9Low37.4Very low112 Ų112146.1 Ų146.173%0.72783%0.827SS**  cis-104.5-117.6-6.732.7-12.7000110.5
141P45.8Very low37.7Very low127 Ų127149.9 Ų149.983%0.82583%0.833SS**  cis-102.2-143.12.543.2-34.6000113.4
142T32.8Very low38Very low133 Ų133155.8 Ų155.882%0.81684%0.837SS**  trans-138.5134.9-162.5-42.90000114.2
143R33.2Very low37.8Very low238 Ų238151.5 Ų151.590%0.89883%0.831SS**  trans-161.2139.6146.3-149.2166.2-160.1-155.92.6112.5
144P38.4Very low38.1Very low115 Ų115149.7 Ų149.775%0.74783%0.826SS**  trans-92.2150.4-178.335.1-35.5000114.3
145V35.7Very low38.1Very low135 Ų135155.2 Ų155.282%0.81883%0.825SS**  trans-140.6132.2162.7178.30000107.7
146P41.3Very low38.4Very low133 Ų133152.6 Ų152.686%0.86482%0.816SS**  trans-77.6130.4-179.230.7-33.8000111.6
147G32.9Very low38.3Very low69 Ų69149.1 Ų149.171%0.71180%0.795SS**  trans-134.1121176.800000111.5R149G147-R149 PolarHBondContact O-N 2.95Å
148H40.8Very low38.6Very low189 Ų189151 Ų15188%0.87579%0.794SS**  trans-59120176.3-118.7-98.6000110.6
149R34.7Very low38.7Very low246 Ų246148.1 Ų148.193%0.92879%0.788SS**  trans-117.9104.9157.7-86.6-164.5167.8-153.4-2.7109.1G147 E151G147-R149 PolarHBondContact O-N 2.95Å; R149-E151 PolarHBondContact O-N 2.87Å; R149-E151 VanDerWaalsContact O-N 3.12Å
150S37.3Very low38.9Very low107 Ų107149.7 Ų149.775%0.74878%0.784SS**  trans-69.3102.9168.9-55.80000108.6R152S150-R152 PolarHBondContact O-N 3.09Å
151E39.4Very low38.2Very low185 Ų185151.9 Ų151.986%0.86479%0.788SS**  trans-66.8115.8176.6-166.417113900109.7R149 A153R149-E151 PolarHBondContact O-N 2.87Å; R149-E151 VanDerWaalsContact O-N 3.12Å; E151-A153 PolarHBondContact O-N 3.41Å
152R45.1Very low37.7Very low242 Ų242151.2 Ų151.291%0.91378%0.777SS**  trans-80.268.8-176.1-167.1-178.2-174.4174.32.3110.3S150 I154S150-R152 PolarHBondContact O-N 3.09Å; R152-I154 PolarHBondContact O-N 2.94Å
153A37.1Very low38.1Very low82 Ų82150.5 Ų150.568%0.67877%0.772SS**  trans-52129.5175.400000110.7E151 R155E151-A153 PolarHBondContact O-N 3.41Å; A153-R155 PolarHBondContact O-N 3.4Å
154I42.8Very low38.2Very low157 Ų157145.5 Ų145.581%0.80576%0.763SS**  trans-73.2100.9-177.4-62.2174.3000108.2R152 T156R152-I154 PolarHBondContact O-N 2.94Å; I154-T156 VanDerWaalsContact C-N 3.32Å; I154-T156 PolarHBondContact O-N 2.05Å
155R40.4Very low38.7Very low187 Ų187146.7 Ų146.771%0.70676%0.763SS**  trans-76.380.1-178.7-172.1-179.3174.5178-6.2110.9A153 Q157A153-R155 PolarHBondContact O-N 3.4Å; R155-Q157 VanDerWaalsContact C-N 3.33Å; R155-Q157 HydrophobicContact CG-CG 3.92Å; R155-Q157 PolarHBondContact O-N 3.32Å
156T40Very low39.5Very low122 Ų122147.4 Ų147.475%0.74876%0.761SS**  trans-62.497.1154.8410000107.9I154 P158I154-T156 VanDerWaalsContact C-N 3.32Å; I154-T156 PolarHBondContact O-N 2.05Å; T156-P158 WeakPolarHBondContact O-CD 3.45Å
157Q36.7Very low39.5Very low115 Ų115151.2 Ų151.254%0.53776%0.764SS.*PPolyproline II helixtrans-68.9119.2173.8-71.9-161.63600109.3R155 K159R155-Q157 VanDerWaalsContact C-N 3.33Å; R155-Q157 HydrophobicContact CG-CG 3.92Å; R155-Q157 PolarHBondContact O-N 3.32Å; Q157-K159 PolarHBondContact O-N 3.08Å
158P39.9Very low39.5Very low113 Ų113151.8 Ų151.873%0.73477%0.77SS**PPolyproline II helixtrans-60.1123.9146.828.6-31.7000106.5T156 Q160T156-P158 WeakPolarHBondContact O-CD 3.45Å; P158-Q160 PolarHBondContact O-N 3.18Å; P158-Q160 VanDerWaalsContact O-N 3.14Å
159K35.9Very low39.3Very low192 Ų192146.2 Ų146.284%0.83575%0.752SS**PPolyproline II helixtrans-51.4121.7174.8-174.8176.7-176.8177.70107.9Q157 L161Q157-K159 PolarHBondContact O-N 3.08Å; K159-L161 VanDerWaalsContact C-N 3.3Å; K159-L161 PolarHBondContact O-N 3.33Å
160Q36.3Very low39.8Very low145 Ų145142.8 Ų142.868%0.67875%0.751SS**  trans-6888-174.4-69.6-172.4-73.900110.8P158 I162P158-Q160 PolarHBondContact O-N 3.18Å; P158-Q160 VanDerWaalsContact O-N 3.14Å; Q160-I162 HydrophobicContact CB-CG1 4.11Å; Q160-I162 PolarHBondContact O-N 3.3Å
161L34.9Very low39.9Very low158 Ų158146.9 Ų146.983%0.82776%0.756SS**  trans-69.286.2151.5-69.3179.1000106.7K159 V163K159-L161 VanDerWaalsContact C-N 3.3Å; K159-L161 PolarHBondContact O-N 3.33Å; L161-V163 VanDerWaalsContact C-N 3.26Å; L161-V163 PolarHBondContact O-N 3.22Å
162I35.7Very low40.3Very low113 Ų113145 Ų14558%0.57975%0.747SS**  trans-6695.4164.8-54.7177.5000105.7Q160 D164Q160-I162 HydrophobicContact CB-CG1 4.11Å; Q160-I162 PolarHBondContact O-N 3.3Å; I162-D164 HydrophobicContact CG2-CB 4.37Å; I162-D164 WeakPolarHBondContact CG2-OD2 3.25Å; I162-D164 PolarHBondContact O-N 2.86Å
163V42.5Very low40.4Very low117 Ų117136.2 Ų136.271%0.70972%0.718SS**  trans-73.4102.1155.6-179.70000104.5L161 D165L161-V163 VanDerWaalsContact C-N 3.26Å; L161-V163 PolarHBondContact O-N 3.22Å; V163-D165 HydrophobicContact CG1-CB 4.47Å; V163-D165 PolarHBondContact O-N 2.8Å
164D35.3Very low41.1Very low134 Ų134140.5 Ų140.572%0.71773%0.729SS**  trans-71.467179.3-104.3-59.1000110.5I162 L166I162-D164 HydrophobicContact CG2-CB 4.37Å; I162-D164 WeakPolarHBondContact CG2-OD2 3.25Å; I162-D164 PolarHBondContact O-N 2.86Å; D164-L166 PolarHBondContact O-N 3.36Å
165D47.6Very low41.6Very low140 Ų140136.7 Ų136.775%0.74971%0.713SS**  trans-7852.1174.7-152.2-46.3000110.6V163V163-D165 HydrophobicContact CG1-CB 4.47Å; V163-D165 PolarHBondContact O-N 2.8Å
166L52.8Low42.7Very low150 Ų150132.6 Ų132.679%0.78570%0.702SS**SBendtrans-165.7121.8144.2-131.665.2000112.7D164D164-L166 PolarHBondContact O-N 3.36Å
167K40.8Very low44.4Very low213 Ų213131.3 Ų131.393%0.92669%0.687SS**SBendtrans103.258.2154.7-151.1-179.5-176.1-179.30119.3
168G32.6Very low46.4Very low80 Ų80128 Ų12883%0.82567%0.671SS**SBendtrans165.8123.1154.200000110.6
169S38.2Very low48.5Very low72 Ų72127 Ų12750%0.50366%0.655SS.*  cis-110.1129.714.5-176.30000113.3K171S169-K171 VanDerWaalsContact C-N 3.32Å; S169-K171 PolarHBondContact OG-N 2.69Å; S169-K171 VanDerWaalsContact OG-N 3.09Å
170L45.2Very low51Low174 Ų174119.3 Ų119.391%0.91162%0.623SS**SBendtrans-101.134.1164-150.1170.1000109.6
171K38.6Very low53.5Low193 Ų193112.5 Ų112.584%0.83959%0.591SS**SBendtrans-143.819.9-170.7-77.7-159.2171.8-1720116.4S169S169-K171 VanDerWaalsContact C-N 3.32Å; S169-K171 PolarHBondContact OG-N 2.69Å; S169-K171 VanDerWaalsContact OG-N 3.09Å
172E48Very low56Low145 Ų145110.1 Ų110.168%0.67858%0.576SS**SBendtrans-134-18.7174.7-106.6161.6129.500117.3T175E172-T175 PolarHBondContact O-OG1 3.01Å
173D46.9Very low58.3Low58 Ų58111.1 Ų111.131%0.3158%0.578SS.*G310 helixtrans-99.8-1-163.3-80.7-78.3000119.2T175 Q176D173-T175 PolarHBondContact O-N 3.03Å; D173-Q176 HydrophobicContact CB-CB 4.44Å; D173-Q176 PolarHBondContact O-N 3.11Å; D173-Q176 VanDerWaalsContact O-N 3.11Å; D173-Q176 WeakPolarHBondContact OD1-CB 3.43Å; D173-Q176 WeakPolarHBondContact OD1-CG 3.44Å
174L52.4Low60.4Low172 Ų172107.6 Ų107.690%0.90156%0.558SS**G310 helixtrans-62.7-12.1168.4-106.573.3000113.1
175T53.6Low62.5Low78 Ų78103.9 Ų103.948%0.47955%0.552SS.*G310 helixtrans-92.3-23.9176.311.10000114.3E172 D173 K178E172-T175 PolarHBondContact O-OG1 3.01Å; D173-T175 PolarHBondContact O-N 3.03Å; T175-K178 WeakPolarHBondContact O-CG 3.14Å
176Q63.4Low64.4Low100 Ų100101.8 Ų101.847%0.46754%0.536SS..G310 helixtrans-86.7-28.9-163.4-152.475.8-52.500113.8D173 K178D173-Q176 HydrophobicContact CB-CB 4.44Å; D173-Q176 PolarHBondContact O-N 3.11Å; D173-Q176 VanDerWaalsContact O-N 3.11Å; D173-Q176 WeakPolarHBondContact OD1-CB 3.43Å; D173-Q176 WeakPolarHBondContact OD1-CG 3.44Å; Q176-K178 PolarHBondContact O-N 2.79Å
177H75.2Confident66.1Low95 Ų9595.4 Ų95.444%0.4450%0.504SS..G310 helixtrans-74.84178.8-62.4-28.9000114.9F179 I180 C187 C189 E191H177-F179 VanDerWaalsContact C-N 3.32Å; H177-F179 PolarHBondContact O-N 2.9Å; H177-I180 WeakPolarHBondContact O-CD1 3.47Å; H177-C187 VanDerWaalsContact C-SG 3.54Å; H177-C187 VanDerWaalsContact CA-SG 3.58Å; H177-C187 PolarHBondContact O-SG 3.38Å; H177-C189 PolarHBondContact ND1-SG 3.31Å; H177-E191 IonicContact CE1-OE2 2.65Å; H177-E191 PolarHBondContact CE1-OE2 3.24Å; H177-E191 VanDerWaalsContact CE1-OE2 3.3Å
178K79.4Confident68.3Low46 Ų4687.7 Ų87.720%0.247%0.47CS..G310 helixtrans-73.2-16.2-172.5-67.2-178.6178.6175.30115.2T175 Q176 I180 Y304 C305T175-K178 WeakPolarHBondContact O-CG 3.14Å; Q176-K178 PolarHBondContact O-N 2.79Å; K178-I180 PolarHBondContact O-N 3.39Å; K178-Y304 HydrophobicContact CB-CD2 4.05Å; K178-Y304 HydrophobicContact CB-CE2 3.84Å; K178-Y304 HydrophobicContact CD-CE1 4.07Å; K178-Y304 HydrophobicContact CD-CE2 3.82Å; K178-Y304 VanDerWaalsContact CD-CZ 3.45Å; K178-Y304 VanDerWaalsContact CD-OH 3.22Å; K178-Y304 WeakPolarHBondContact CD-OH 3.44Å; K178-Y304 PolarHBondContact NZ-OH 3.07Å; K178-C305 PolarHBondContact O-N 3.5Å
179F83.7Confident70.7Confident91 Ų9184.2 Ų84.240%0.39943%0.433SS..EExtended strand (participates in β ladder)trans-83.199.7179.1-62-79.1000111.1H177 C187 K188 Y304H177-F179 VanDerWaalsContact C-N 3.32Å; H177-F179 PolarHBondContact O-N 2.9Å; F179-C187 CarbonylContact O-C 3.55Å; F179-C187 WeakPolarHBondContact O-CA 3.31Å; F179-C187 PolarHBondContact O-SG 2.77Å; F179-C187 VanDerWaalsContact O-SG 3.32Å; F179-K188 PolarHBondContact O-N 2.97Å; F179-Y304 HydrophobicContact CE1-CD2 4.23Å; F179-Y304 HydrophobicContact CZ-CD2 4.46Å
180I88Confident72.6Confident32 Ų3283.6 Ų83.616%0.16444%0.438CS..EExtended strand (participates in β ladder)trans-103.7147.4-178.9-55.5-52.5000110.7H177 K178 G185 C187 T302 V303 C305H177-I180 WeakPolarHBondContact O-CD1 3.47Å; K178-I180 PolarHBondContact O-N 3.39Å; I180-G185 VanDerWaalsContact CG2-O 3.25Å; I180-G185 WeakPolarHBondContact CG2-O 3.36Å; I180-C187 HydrophobicContact CD1-CB 3.66Å; I180-T302 CarbonylContact O-C 3.55Å; I180-T302 WeakPolarHBondContact O-CA 3Å; I180-V303 HydrophobicContact CB-CG2 4.19Å; I180-V303 PolarHBondContact N-O 3.11Å; I180-V303 WeakPolarHBondContact O-CG2 3.49Å; I180-V303 PolarHBondContact O-N 3.18Å; I180-C305 HydrophobicContact CG1-CB 4.03Å; I180-C305 WeakPolarHBondContact CG1-SG 3.44Å
181C88.6Confident74.3Confident1 Ų179.9 Ų79.91%0.00742%0.416CS..EExtended strand (participates in β ladder)trans-84.1124.9173.81780000111.9Q183 C184 G185 K186 K188 C295 S300C181-Q183 VanDerWaalsContact C-N 3.31Å; C181-Q183 PolarHBondContact O-N 3.06Å; C181-Q183 PolarHBondContact SG-N 3.42Å; C181-C184 HydrophobicContact CB-CB 4.4Å; C181-C184 WeakPolarHBondContact CB-SG 3.38Å; C181-C184 PolarHBondContact O-N 2.93Å; C181-G185 PolarHBondContact O-N 2.9Å; C181-K186 WeakPolarHBondContact CB-O 3.32Å; C181-K186 PolarHBondContact N-O 3.42Å; C181-K188 HydrophobicContact CB-CD 4.08Å; C181-K188 HydrophobicContact CB-CG 4.32Å; C181-C295 HydrophobicContact CB-CB 3.84Å; C181-C295 WeakPolarHBondContact CB-SG 3.49Å; C181-C295 PolarHBondContact SG-SG 3.17Å; C181-S300 WeakPolarHBondContact SG-CB 3.46Å; C181-S300 PolarHBondContact SG-OG 3.35Å
182E87.4Confident76.3Confident108 Ų10871.1 Ų71.151%0.50538%0.379SS..THydrogen-bonded Turntrans-54.2-42.8175.4-68.4172.5-170.600113.4N301 V303E182-N301 VanDerWaalsContact CD-CB 3.5Å; E182-N301 HydrophobicContact CG-CB 4.41Å; E182-N301 VanDerWaalsContact OE1-CB 3.31Å; E182-N301 WeakPolarHBondContact OE1-CB 3.5Å; E182-N301 WeakPolarHBondContact OE2-CB 3.4Å; E182-N301 PolarHBondContact OE2-ND2 2.96Å; E182-V303 HydrophobicContact CG-CB 4.39Å; E182-V303 HydrophobicContact CG-CG1 3.67Å; E182-V303 HydrophobicContact CG-CG2 3.99Å
183Q84.2Confident77.9Confident134 Ų13466.5 Ų66.563%0.62636%0.361SS*.THydrogen-bonded Turntrans-77.5-22.2-174.8-70.2177.6-5.100114.4C181C181-Q183 VanDerWaalsContact C-N 3.31Å; C181-Q183 PolarHBondContact O-N 3.06Å; C181-Q183 PolarHBondContact SG-N 3.42Å
184C85.6Confident79.4Confident44 Ų4465.5 Ų65.530%0.29736%0.36SS..THydrogen-bonded Turntrans-131.9-6.9-165.394.30000114.5C181 K186 C295C181-C184 HydrophobicContact CB-CB 4.4Å; C181-C184 WeakPolarHBondContact CB-SG 3.38Å; C181-C184 PolarHBondContact O-N 2.93Å; C184-K186 PolarHBondContact O-N 3.49Å; C184-K186 VanDerWaalsContact SG-CB 3.57Å; C184-K186 PolarHBondContact SG-N 3.38Å; C184-K186 VanDerWaalsContact SG-N 3.42Å; C184-C295 WeakPolarHBondContact CB-SG 3.45Å; C184-C295 WeakPolarHBondContact SG-CB 3.48Å; C184-C295 CovalentContact SG-SG 2.04Å; C184-C295 PolarHBondContact SG-SG 3.44Å
185G81.1Confident80.3Confident56 Ų5662 Ų6258%0.57735%0.348SS*.  trans66-10.9-178.900000115.9I180 C181I180-G185 VanDerWaalsContact CG2-O 3.25Å; I180-G185 WeakPolarHBondContact CG2-O 3.36Å; C181-G185 PolarHBondContact O-N 2.9Å
186K86.7Confident81.3Confident95 Ų9563.7 Ų63.741%0.41335%0.346SS..  trans-84149.8179.6-60.3-178.8161.9-153.40112.1C181 C184 R292 P293 G294 C295C181-K186 WeakPolarHBondContact CB-O 3.32Å; C181-K186 PolarHBondContact N-O 3.42Å; C184-K186 PolarHBondContact O-N 3.49Å; C184-K186 VanDerWaalsContact SG-CB 3.57Å; C184-K186 PolarHBondContact SG-N 3.38Å; C184-K186 VanDerWaalsContact SG-N 3.42Å; K186-R292 PolarHBondContact NZ-O 3.17Å; K186-P293 WeakPolarHBondContact CB-O 3.41Å; K186-P293 VanDerWaalsContact CD-O 3.29Å; K186-P293 WeakPolarHBondContact CD-O 3.38Å; K186-P293 WeakPolarHBondContact CG-O 3.34Å; K186-G294 WeakPolarHBondContact CD-O 3.48Å; K186-C295 HydrophobicContact CB-CB 4.02Å
187C88.2Confident81.6Confident17 Ų1764.4 Ų64.412%0.11536%0.357CS..BIsolated β-bridgetrans-67.1150176.5-169.10000112.7H177 F179 I180 C189 C192 G294 C295H177-C187 VanDerWaalsContact C-SG 3.54Å; H177-C187 VanDerWaalsContact CA-SG 3.58Å; H177-C187 PolarHBondContact O-SG 3.38Å; F179-C187 CarbonylContact O-C 3.55Å; F179-C187 WeakPolarHBondContact O-CA 3.31Å; F179-C187 PolarHBondContact O-SG 2.77Å; F179-C187 VanDerWaalsContact O-SG 3.32Å; I180-C187 HydrophobicContact CD1-CB 3.66Å; C187-C189 PolarHBondContact SG-N 3.19Å; C187-C189 VanDerWaalsContact SG-N 3.4Å; C187-C192 HydrophobicContact CB-CB 4.17Å; C187-C192 PolarHBondContact SG-SG 2.8Å; C187-G294 CarbonylContact O-C 3.51Å; C187-G294 WeakPolarHBondContact O-CA 3.39Å; C187-C295 PolarHBondContact O-N 3.12Å
188K86.5Confident81.1Confident51 Ų5161.8 Ų61.822%0.22235%0.346CS..  trans-110.411.9177.7-79.3173.7161-177.70113.5F179 C181 C295 S300 N301 T302F179-K188 PolarHBondContact O-N 2.97Å; C181-K188 HydrophobicContact CB-CD 4.08Å; C181-K188 HydrophobicContact CB-CG 4.32Å; K188-C295 HydrophobicContact CG-CB 3.97Å; K188-S300 VanDerWaalsContact CE-OG 3.32Å; K188-S300 WeakPolarHBondContact CE-OG 3.39Å; K188-S300 PolarHBondContact NZ-O 3.34Å; K188-S300 PolarHBondContact NZ-OG 3.13Å; K188-N301 PolarHBondContact NZ-O 3.06Å; K188-T302 HydrophobicContact CD-CG2 3.54Å
189C84.2Confident80.5Confident7 Ų764.2 Ų64.25%0.04737%0.367CS..  trans-59158.1176.5910000112.3H177 C187 E191 C192 T193H177-C189 PolarHBondContact ND1-SG 3.31Å; C187-C189 PolarHBondContact SG-N 3.19Å; C187-C189 VanDerWaalsContact SG-N 3.4Å; C189-E191 PolarHBondContact O-N 3.39Å; C189-C192 HydrophobicContact CB-CB 4.09Å; C189-C192 WeakPolarHBondContact CB-SG 3.41Å; C189-C192 VanDerWaalsContact O-CB 3.28Å; C189-C192 WeakPolarHBondContact O-CB 3.49Å; C189-C192 PolarHBondContact O-N 2.77Å; C189-C192 VanDerWaalsContact O-N 3.17Å; C189-C192 WeakPolarHBondContact SG-CB 3.44Å; C189-C192 PolarHBondContact SG-N 2.92Å; C189-C192 CovalentContact SG-SG 2.05Å; C189-C192 PolarHBondContact SG-SG 2.77Å; C189-T193 PolarHBondContact O-N 3.42Å; C189-T193 PolarHBondContact O-OG1 3.36Å
190G77.2Confident79.7Confident59 Ų5963 Ų6361%0.60837%0.369SS*.Hα-helixtrans-55.1-48.8-179.900000112.7C192 T193 A194G190-C192 VanDerWaalsContact C-N 3.3Å; G190-C192 PolarHBondContact O-N 3.12Å; G190-T193 CarbonylContact O-C 3.56Å; G190-T193 PolarHBondContact O-N 2.69Å; G190-T193 PolarHBondContact O-OG1 3.17Å; G190-A194 WeakPolarHBondContact O-CB 3.26Å; G190-A194 PolarHBondContact O-N 2.88Å
191E80.8Confident78.2Confident96 Ų9665 Ų6545%0.44939%0.386SS..Hα-helixtrans-66.5-31.1179.3-40.6-176121.400113.9H177 C189 T193 R196H177-E191 IonicContact CE1-OE2 2.65Å; H177-E191 PolarHBondContact CE1-OE2 3.24Å; H177-E191 VanDerWaalsContact CE1-OE2 3.3Å; C189-E191 PolarHBondContact O-N 3.39Å; E191-T193 VanDerWaalsContact C-N 3.32Å; E191-R196 PolarHBondContact O-NH2 2.85Å
192C81.2Confident76.7Confident9 Ų968.8 Ų68.86%0.06141%0.405CS..Hα-helixtrans-70.9-34.2178.2-51.30000110.5C187 C189 G190 R292 G294C187-C192 HydrophobicContact CB-CB 4.17Å; C187-C192 PolarHBondContact SG-SG 2.8Å; C189-C192 HydrophobicContact CB-CB 4.09Å; C189-C192 WeakPolarHBondContact CB-SG 3.41Å; C189-C192 VanDerWaalsContact O-CB 3.28Å; C189-C192 WeakPolarHBondContact O-CB 3.49Å; C189-C192 PolarHBondContact O-N 2.77Å; C189-C192 VanDerWaalsContact O-N 3.17Å; C189-C192 WeakPolarHBondContact SG-CB 3.44Å; C189-C192 PolarHBondContact SG-N 2.92Å; C189-C192 CovalentContact SG-SG 2.05Å; C189-C192 PolarHBondContact SG-SG 2.77Å; G190-C192 VanDerWaalsContact C-N 3.3Å; G190-C192 PolarHBondContact O-N 3.12Å; C192-R292 WeakPolarHBondContact O-CG 3.47Å; C192-G294 WeakPolarHBondContact O-CA 3.36Å; C192-G294 PolarHBondContact O-N 3.27Å
193T81.1Confident75.1Confident47 Ų4765.1 Ų65.129%0.28839%0.393SS..Hα-helixtrans-107.54.9-176.359.10000113.3C189 G190 E191 R292C189-T193 PolarHBondContact O-N 3.42Å; C189-T193 PolarHBondContact O-OG1 3.36Å; G190-T193 CarbonylContact O-C 3.56Å; G190-T193 PolarHBondContact O-N 2.69Å; G190-T193 PolarHBondContact O-OG1 3.17Å; E191-T193 VanDerWaalsContact C-N 3.32Å; T193-R292 VanDerWaalsContact O-CZ 3.28Å; T193-R292 PolarHBondContact O-NH1 3.41Å; T193-R292 PolarHBondContact O-NH2 3.15Å
194A77.9Confident73.6Confident37 Ų3762.8 Ų62.831%0.30639%0.391SS..SBendtrans-67.7133.5169.400000110.1G190 R196G190-A194 WeakPolarHBondContact O-CB 3.26Å; G190-A194 PolarHBondContact O-N 2.88Å; A194-R196 PolarHBondContact O-N 3.07Å
195P73.1Confident72.1Confident99 Ų9968 Ų6864%0.64342%0.416SS*.PPolyproline II helixtrans-61.6128173.3-2031.9000111.4T197 D288P195-T197 PolarHBondContact O-N 3.15Å; P195-D288 WeakPolarHBondContact CA-OD1 3.37Å
196R73.9Confident71.1Confident113 Ų11374.8 Ų74.843%0.42642%0.424SS..PPolyproline II helixtrans-81.7117.9176.1-62.1-65.6168.5135.5-11.8110.8E191 A194 Y287 D288E191-R196 PolarHBondContact O-NH2 2.85Å; A194-R196 PolarHBondContact O-N 3.07Å; R196-Y287 HydrophobicContact CB-CD1 4.31Å; R196-Y287 HydrophobicContact CB-CE1 4.12Å; R196-D288 PolarHBondContact N-OD1 3.06Å
197T69.7Low69.7Low115 Ų11578.1 Ų78.171%0.70644%0.441SS*.PPolyproline II helixtrans-64.5157.7168.443.60000110.7P195 Y287P195-T197 PolarHBondContact O-N 3.15Å; T197-Y287 WeakPolarHBondContact O-CE1 3.37Å
198L64.9Low68.4Low41 Ų4180 Ų8022%0.21545%0.454CS..PPolyproline II helixtrans-65.8140.8169.2-78.2168.3000109.2S200 C283 R284 Y287L198-S200 PolarHBondContact O-N 3.24Å; L198-C283 HydrophobicContact CD1-CB 4.43Å; L198-R284 HydrophobicContact CB-CG 4.46Å; L198-R284 HydrophobicContact CD1-CG 3.6Å; L198-R284 HydrophobicContact CG-CG 3.68Å; L198-Y287 HydrophobicContact CD2-CD1 4.33Å; L198-Y287 HydrophobicContact CD2-CD2 4.22Å; L198-Y287 HydrophobicContact CD2-CG 3.9Å
199P66.5Low67.2Low96 Ų9683 Ų8362%0.62347%0.472SS*.PPolyproline II helixtrans-66.9118.8176.427.1-33.1000110.2
200S66.6Low66.3Low65 Ų6585.6 Ų85.646%0.45549%0.489SS..PPolyproline II helixtrans-79.3132.6167.249.50000109.4L198L198-S200 PolarHBondContact O-N 3.24Å
201C57.3Low66.4Low76 Ų7683.6 Ų83.651%0.51447%0.466SS..EExtended strand (participates in β ladder)trans-97.7135.2-179.661.40000111.3A203 C210C201-A203 VanDerWaalsContact C-N 3.33Å; C201-A203 PolarHBondContact O-N 3.43Å; C201-A203 VanDerWaalsContact O-N 3.07Å; C201-C210 PolarHBondContact N-O 3.09Å; C201-C210 VanDerWaalsContact N-O 3.15Å; C201-C210 PolarHBondContact O-N 3.22Å; C201-C210 VanDerWaalsContact SG-CB 3.55Å
202L55.7Low66.4Low79 Ų7980.4 Ų80.441%0.41446%0.456SS..EExtended strand (participates in β ladder)trans-80.880.7172.4-84.6169.4000109.8R206 C208 L209L202-R206 HydrophobicContact CB-CB 4.32Å; L202-R206 HydrophobicContact CB-CG 4.06Å; L202-R206 HydrophobicContact CD1-CB 4.45Å; L202-R206 HydrophobicContact CD1-CG 4.29Å; L202-R206 HydrophobicContact CD2-CB 4.41Å; L202-C208 CarbonylContact C-O 3.25Å; L202-C208 WeakPolarHBondContact CA-O 3.36Å; L202-L209 HydrophobicContact CD2-CD2 3.52Å; L202-L209 HydrophobicContact CD2-CG 3.79Å; L202-L209 HydrophobicContact CG-CD2 3.85Å
203A54.4Low66.5Low31 Ų3183.7 Ų83.726%0.25647%0.471SS..Hα-helixtrans-72.6173.4174.400000112C201 R206 Q207 C208 C210C201-A203 VanDerWaalsContact C-N 3.33Å; C201-A203 PolarHBondContact O-N 3.43Å; C201-A203 VanDerWaalsContact O-N 3.07Å; A203-R206 PolarHBondContact O-N 3.48Å; A203-Q207 PolarHBondContact O-N 2.85Å; A203-C208 HydrophobicContact CB-CB 4.46Å; A203-C208 PolarHBondContact N-O 2.62Å; A203-C208 PolarHBondContact O-N 3.46Å; A203-C210 HydrophobicContact CB-CB 4.09Å; A203-C210 VanDerWaalsContact CB-SG 3.53Å
204C52.3Low66.5Low86 Ų8683.6 Ų83.658%0.58147%0.472SS*.Hα-helixtrans48.365.9174.4-59.20000113.2R206 Q207 C208C204-R206 VanDerWaalsContact C-N 3.25Å; C204-R206 PolarHBondContact O-N 2.98Å; C204-Q207 VanDerWaalsContact O-CB 3.3Å; C204-Q207 WeakPolarHBondContact O-CB 3.33Å; C204-Q207 PolarHBondContact O-N 3.43Å; C204-C208 HydrophobicContact CB-CB 4.07Å
205N55.3Low66.8Low153 Ų15388.3 Ų88.382%0.81849%0.489SS*.Hα-helixtrans53.138.4177.7-61.7-30.6000114.2Q207N205-Q207 PolarHBondContact O-N 3.37Å
206R59.5Low67.5Low199 Ų19984.5 Ų84.575%0.75146%0.464SS*.Hα-helixtrans62.220-174.5-58.2-166.5159.6-146.5-5.7115.7L202 A203 C204L202-R206 HydrophobicContact CB-CB 4.32Å; L202-R206 HydrophobicContact CB-CG 4.06Å; L202-R206 HydrophobicContact CD1-CB 4.45Å; L202-R206 HydrophobicContact CD1-CG 4.29Å; L202-R206 HydrophobicContact CD2-CB 4.41Å; A203-R206 PolarHBondContact O-N 3.48Å; C204-R206 VanDerWaalsContact C-N 3.25Å; C204-R206 PolarHBondContact O-N 2.98Å
207Q58.4Low68.2Low165 Ų16581.3 Ų81.377%0.77145%0.454SS*.THydrogen-bonded Turntrans-94.7-18.8177.2-56.6178.61100112.7A203 C204 N205A203-Q207 PolarHBondContact O-N 2.85Å; C204-Q207 VanDerWaalsContact O-CB 3.3Å; C204-Q207 WeakPolarHBondContact O-CB 3.33Å; C204-Q207 PolarHBondContact O-N 3.43Å; N205-Q207 PolarHBondContact O-N 3.37Å
208C60.2Low69Low55 Ų5584 Ų8437%0.37245%0.452SS..EExtended strand (participates in β ladder)trans-120.1116.8-179.8-60.50000111.5L202 A203 C204 C210L202-C208 CarbonylContact C-O 3.25Å; L202-C208 WeakPolarHBondContact CA-O 3.36Å; A203-C208 HydrophobicContact CB-CB 4.46Å; A203-C208 PolarHBondContact N-O 2.62Å; A203-C208 PolarHBondContact O-N 3.46Å; C204-C208 HydrophobicContact CB-CB 4.07Å; C208-C210 PolarHBondContact O-N 3.3Å; C208-C210 VanDerWaalsContact O-N 3.12Å
209L62Low69.9Low116 Ų11685 Ų8561%0.60747%0.472SS*.EExtended strand (participates in β ladder)trans-76.391.7164.6-80.8168.1000109.2L202 S211L202-L209 HydrophobicContact CD2-CD2 3.52Å; L202-L209 HydrophobicContact CD2-CG 3.79Å; L202-L209 HydrophobicContact CG-CD2 3.85Å; L209-S211 VanDerWaalsContact C-N 3.26Å; L209-S211 PolarHBondContact O-N 2.88Å
210C64.8Low71Confident61 Ų6180.8 Ų80.841%0.41245%0.445SS..EExtended strand (participates in β ladder)trans-75.881.6170-780000109.4C201 A203 C208C201-C210 PolarHBondContact N-O 3.09Å; C201-C210 VanDerWaalsContact N-O 3.15Å; C201-C210 PolarHBondContact O-N 3.22Å; C201-C210 VanDerWaalsContact SG-CB 3.55Å; A203-C210 HydrophobicContact CB-CB 4.09Å; A203-C210 VanDerWaalsContact CB-SG 3.53Å; C208-C210 PolarHBondContact O-N 3.3Å; C208-C210 VanDerWaalsContact O-N 3.12Å
211S78.1Confident72.1Confident16 Ų1678.9 Ų78.911%0.11243%0.431CS..  trans-80145.3159.9-174.40000110.8L209 E213 S214 M215L209-S211 VanDerWaalsContact C-N 3.26Å; L209-S211 PolarHBondContact O-N 2.88Å; S211-E213 PolarHBondContact O-N 3.41Å; S211-E213 PolarHBondContact OG-N 3.42Å; S211-E213 PolarHBondContact OG-OE1 3.1Å; S211-E213 PolarHBondContact OG-OE2 3.17Å; S211-S214 PolarHBondContact O-N 3.15Å; S211-M215 PolarHBondContact O-N 3.41Å; S211-M215 VanDerWaalsContact O-N 3.11Å
212A80.8Confident73.5Confident30 Ų3075.3 Ų75.325%0.24841%0.407CS..Hα-helixtrans-60.7-27.7169.800000112.2V216 L280A212-V216 PolarHBondContact O-N 3.13Å; A212-L280 HydrophobicContact CB-CD2 3.65Å; A212-L280 WeakPolarHBondContact O-CD1 3.15Å
213E83.4Confident75Confident78 Ų7873.6 Ų73.636%0.36440%0.401SS..Hα-helixtrans-56-57.6169-71.880.5-10400111.4S211 M215 V216 E217 R284S211-E213 PolarHBondContact O-N 3.41Å; S211-E213 PolarHBondContact OG-N 3.42Å; S211-E213 PolarHBondContact OG-OE1 3.1Å; S211-E213 PolarHBondContact OG-OE2 3.17Å; E213-M215 VanDerWaalsContact C-N 3.34Å; E213-M215 PolarHBondContact O-N 3.18Å; E213-V216 PolarHBondContact O-N 3.29Å; E213-E217 PolarHBondContact O-N 3.11Å; E213-R284 VanDerWaalsContact CD-NH2 3.31Å; E213-R284 VanDerWaalsContact CG-NH2 3.33Å; E213-R284 IonicContact OE1-CZ 2.62Å; E213-R284 VanDerWaalsContact OE1-CZ 3.29Å; E213-R284 IonicContact OE1-NE 2.69Å; E213-R284 PolarHBondContact OE1-NE 2.98Å; E213-R284 IonicContact OE1-NH2 3.37Å; E213-R284 PolarHBondContact OE1-NH2 3.34Å
214S81.9Confident76.6Confident45 Ų4576.3 Ų76.332%0.31541%0.411SS..Hα-helixtrans-62.5-41.9-175.5-49.40000111.3S211 V216 E217 Y218S211-S214 PolarHBondContact O-N 3.15Å; S214-V216 VanDerWaalsContact C-N 3.29Å; S214-V216 PolarHBondContact O-N 3.12Å; S214-E217 PolarHBondContact O-N 3.43Å; S214-E217 VanDerWaalsContact O-N 3.16Å; S214-Y218 WeakPolarHBondContact O-CD2 2.97Å; S214-Y218 PolarHBondContact O-N 2.93Å
215M84.4Confident78.3Confident136 Ų13672.3 Ų72.367%0.6738%0.384SS*.Hα-helixtrans-57.9-41.2176.5-172.4-179.971.300112.1S211 E213 G219S211-M215 PolarHBondContact O-N 3.41Å; S211-M215 VanDerWaalsContact O-N 3.11Å; E213-M215 VanDerWaalsContact C-N 3.34Å; E213-M215 PolarHBondContact O-N 3.18Å; M215-G219 PolarHBondContact O-N 3.32Å
216V87.8Confident79.8Confident18 Ų1867.1 Ų67.111%0.10935%0.354CS..Hα-helixtrans-71.2-40.1175.3167.40000111.6A212 E213 S214 Y218 T220 Y273 A276 L280A212-V216 PolarHBondContact O-N 3.13Å; E213-V216 PolarHBondContact O-N 3.29Å; S214-V216 VanDerWaalsContact C-N 3.29Å; S214-V216 PolarHBondContact O-N 3.12Å; V216-Y218 PolarHBondContact O-N 2.89Å; V216-T220 HydrophobicContact CG1-CG2 4.1Å; V216-T220 VanDerWaalsContact O-CB 3.32Å; V216-T220 WeakPolarHBondContact O-CB 3.48Å; V216-T220 VanDerWaalsContact O-CG2 3.29Å; V216-T220 WeakPolarHBondContact O-CG2 3.41Å; V216-T220 PolarHBondContact O-N 2.95Å; V216-T220 PolarHBondContact O-OG1 2.79Å; V216-Y273 HydrophobicContact CG1-CD2 3.81Å; V216-Y273 HydrophobicContact CG1-CE2 4.07Å; V216-A276 HydrophobicContact CG1-CB 3.71Å; V216-A276 HydrophobicContact CG2-CB 4.06Å; V216-L280 HydrophobicContact CB-CD1 3.89Å; V216-L280 HydrophobicContact CG1-CD1 4.38Å; V216-L280 HydrophobicContact CG2-CD1 3.64Å; V216-L280 HydrophobicContact CG2-CD2 4.35Å; V216-L280 HydrophobicContact CG2-CG 4.01Å
217E87.4Confident81Confident47 Ų4759.1 Ų59.122%0.2233%0.333CS..Hα-helixtrans-66.6-35.9179.6-69.7-162.6160.100113.9E213 S214 M222 C223 K226 Y273E213-E217 PolarHBondContact O-N 3.11Å; S214-E217 PolarHBondContact O-N 3.43Å; S214-E217 VanDerWaalsContact O-N 3.16Å; E217-M222 PolarHBondContact O-N 2.98Å; E217-M222 VanDerWaalsContact O-N 3.1Å; E217-C223 PolarHBondContact O-N 2.6Å; E217-C223 VanDerWaalsContact O-N 3.09Å; E217-K226 WeakPolarHBondContact OE1-CE 3.4Å; E217-K226 IonicContact OE1-NZ 3.42Å; E217-K226 PolarHBondContact OE1-NZ 3.13Å; E217-K226 IonicContact OE2-NZ 2.87Å; E217-K226 PolarHBondContact OE2-NZ 3.19Å; E217-Y273 HydrophobicContact CG-CE2 3.92Å; E217-Y273 PolarHBondContact OE1-OH 2.94Å; E217-Y273 VanDerWaalsContact OE1-OH 3.13Å
218Y86.3Confident82.2Confident171 Ų17154.1 Ų54.167%0.67131%0.311SS*.Hα-helixtrans-76.3-48.2172.3-66.1-61.5000112.1S214 V216 T220 C221 C223S214-Y218 WeakPolarHBondContact O-CD2 2.97Å; S214-Y218 PolarHBondContact O-N 2.93Å; V216-Y218 PolarHBondContact O-N 2.89Å; Y218-T220 VanDerWaalsContact C-N 3.25Å; Y218-T220 PolarHBondContact O-N 3.24Å; Y218-C221 PolarHBondContact O-N 3.02Å; Y218-C221 VanDerWaalsContact O-N 3.13Å; Y218-C223 HydrophobicContact CD1-CB 3.87Å; Y218-C223 HydrophobicContact CE1-CB 4.01Å
219G85.1Confident83.3Confident61 Ų6152.2 Ų52.263%0.62930%0.297SS*.Hα-helixtrans-67.7-19.8-17600000115.1M215M215-G219 PolarHBondContact O-N 3.32Å
220T89.6Confident84.2Confident8 Ų852.6 Ų52.65%0.04929%0.291CS..THydrogen-bonded Turntrans-102.48.2175.863.40000113.3V216 Y218 M222 C269 L270 C272 Y273 A276V216-T220 HydrophobicContact CG1-CG2 4.1Å; V216-T220 VanDerWaalsContact O-CB 3.32Å; V216-T220 WeakPolarHBondContact O-CB 3.48Å; V216-T220 VanDerWaalsContact O-CG2 3.29Å; V216-T220 WeakPolarHBondContact O-CG2 3.41Å; V216-T220 PolarHBondContact O-N 2.95Å; V216-T220 PolarHBondContact O-OG1 2.79Å; Y218-T220 VanDerWaalsContact C-N 3.25Å; Y218-T220 PolarHBondContact O-N 3.24Å; T220-M222 PolarHBondContact O-N 3.49Å; T220-M222 VanDerWaalsContact O-N 3.1Å; T220-C269 WeakPolarHBondContact CA-O 3.16Å; T220-C269 WeakPolarHBondContact CB-O 3.41Å; T220-C269 CarbonylContact O-C 3.59Å; T220-C269 VanDerWaalsContact O-C 3.25Å; T220-L270 WeakPolarHBondContact O-CA 3.31Å; T220-L270 WeakPolarHBondContact O-CD2 3.38Å; T220-L270 PolarHBondContact O-N 3.24Å; T220-C272 HydrophobicContact CG2-CB 4.16Å; T220-Y273 HydrophobicContact CG2-CD2 4.45Å; T220-Y273 VanDerWaalsContact OG1-CD2 3.24Å; T220-Y273 WeakPolarHBondContact OG1-CD2 3.43Å; T220-A276 HydrophobicContact CG2-CB 4.41Å
221C89.7Confident84.9Confident25 Ų2557.4 Ų57.417%0.16931%0.307CS..THydrogen-bonded Turntrans63.28.2-177.9-44.90000115.1Y218 C223 L224 L267 C269 L270Y218-C221 PolarHBondContact O-N 3.02Å; Y218-C221 VanDerWaalsContact O-N 3.13Å; C221-C223 PolarHBondContact O-N 2.92Å; C221-L224 HydrophobicContact CB-CD1 4.33Å; C221-L224 WeakPolarHBondContact O-CB 3.04Å; C221-L224 PolarHBondContact O-N 3.16Å; C221-L267 HydrophobicContact CB-CB 4.37Å; C221-L267 HydrophobicContact CB-CD1 4.25Å; C221-L267 HydrophobicContact CB-CD2 4.24Å; C221-C269 HydrophobicContact CB-CB 4.11Å; C221-C269 WeakPolarHBondContact CB-SG 3.26Å; C221-C269 WeakPolarHBondContact SG-CB 3.2Å; C221-C269 CovalentContact SG-SG 2.04Å; C221-C269 PolarHBondContact SG-SG 3.34Å; C221-L270 HydrophobicContact CB-CD2 4.36Å; C221-L270 HydrophobicContact CB-CG 4.46Å
222M87.5Confident84.7Confident2 Ų261.3 Ų61.31%0.0133%0.333CS..Hα-helixtrans-62.2-28.1179.7-176.257.150.600112.5E217 T220 L224 V225 K226 P245 M260 L270 Y273E217-M222 PolarHBondContact O-N 2.98Å; E217-M222 VanDerWaalsContact O-N 3.1Å; T220-M222 PolarHBondContact O-N 3.49Å; T220-M222 VanDerWaalsContact O-N 3.1Å; M222-L224 PolarHBondContact O-N 3.18Å; M222-V225 PolarHBondContact O-N 3.22Å; M222-V225 VanDerWaalsContact O-N 3.16Å; M222-V225 HydrophobicContact SD-CB 3.93Å; M222-V225 HydrophobicContact SD-CG1 4.05Å; M222-K226 PolarHBondContact O-N 3.11Å; M222-P245 HydrophobicContact SD-CB 4.47Å; M222-P245 HydrophobicContact SD-CG 3.87Å; M222-M260 HydrophobicContact CE-CE 3.7Å; M222-M260 HydrophobicContact SD-CE 4.2Å; M222-L270 HydrophobicContact CE-CD2 3.71Å; M222-Y273 HydrophobicContact CB-CD2 3.94Å; M222-Y273 HydrophobicContact CB-CE2 3.94Å; M222-Y273 HydrophobicContact CB-CG 4.3Å; M222-Y273 HydrophobicContact CE-CD1 3.49Å; M222-Y273 VanDerWaalsContact CE-CD1 3.49Å; M222-Y273 HydrophobicContact CE-CD2 4.45Å; M222-Y273 HydrophobicContact CE-CE1 3.86Å; M222-Y273 HydrophobicContact CE-CG 3.76Å; M222-Y273 HydrophobicContact CG-CD1 4.35Å; M222-Y273 HydrophobicContact CG-CD2 4.17Å; M222-Y273 HydrophobicContact CG-CE1 3.97Å; M222-Y273 HydrophobicContact CG-CE2 3.82Å; M222-Y273 HydrophobicContact CG-CG 4.38Å; M222-Y273 HydrophobicContact SD-CD1 4.45Å; M222-Y273 HydrophobicContact SD-CE1 4.23Å
223C86.8Confident84.1Confident42 Ų4261.7 Ų61.728%0.28433%0.334SS..Hα-helixtrans-54.1-35.7170.357.80000113.3E217 Y218 C221 G227E217-C223 PolarHBondContact O-N 2.6Å; E217-C223 VanDerWaalsContact O-N 3.09Å; Y218-C223 HydrophobicContact CD1-CB 3.87Å; Y218-C223 HydrophobicContact CE1-CB 4.01Å; C221-C223 PolarHBondContact O-N 2.92Å; C223-G227 PolarHBondContact O-N 3.35Å
224L87.6Confident82.9Confident88 Ų8863.4 Ų63.446%0.46135%0.346SS..Hα-helixtrans-71.3-39.9178-57.2179.7000111.1C221 M222 G227 I228 L267C221-L224 HydrophobicContact CB-CD1 4.33Å; C221-L224 WeakPolarHBondContact O-CB 3.04Å; C221-L224 PolarHBondContact O-N 3.16Å; M222-L224 PolarHBondContact O-N 3.18Å; L224-G227 PolarHBondContact O-N 3.04Å; L224-I228 VanDerWaalsContact O-CG1 3.29Å; L224-I228 WeakPolarHBondContact O-CG1 3.18Å; L224-I228 PolarHBondContact O-N 2.94Å; L224-L267 HydrophobicContact CB-CD1 4.41Å; L224-L267 HydrophobicContact CD1-CD1 3.82Å; L224-L267 HydrophobicContact CD1-CD2 4.16Å
225V87.2Confident81.9Confident3 Ų368.1 Ų68.12%0.01837%0.367CS..Hα-helixtrans-63.7-42.8174.9173.20000111.1M222 G227 I228 F229 P245 M260 L270M222-V225 PolarHBondContact O-N 3.22Å; M222-V225 VanDerWaalsContact O-N 3.16Å; M222-V225 HydrophobicContact SD-CB 3.93Å; M222-V225 HydrophobicContact SD-CG1 4.05Å; V225-G227 PolarHBondContact O-N 3.1Å; V225-I228 PolarHBondContact O-N 2.59Å; V225-F229 HydrophobicContact CG1-CD2 3.59Å; V225-F229 HydrophobicContact CG1-CE2 3.35Å; V225-F229 HydrophobicContact CG1-CZ 4.22Å; V225-F229 WeakPolarHBondContact O-CB 3.14Å; V225-F229 WeakPolarHBondContact O-CD2 3.43Å; V225-F229 WeakPolarHBondContact O-CG 3.28Å; V225-F229 PolarHBondContact O-N 3.06Å; V225-P245 HydrophobicContact CG1-CB 4.26Å; V225-M260 HydrophobicContact CG1-CE 4.16Å; V225-M260 HydrophobicContact CG1-CG 3.99Å; V225-M260 HydrophobicContact CG1-SD 4.28Å; V225-L270 HydrophobicContact CG2-CD1 3.77Å; V225-L270 HydrophobicContact CG2-CD2 3.61Å; V225-L270 HydrophobicContact CG2-CG 4.39Å
226K86.9Confident80.6Confident44 Ų4468.1 Ų68.119%0.19137%0.37CS..Hα-helixtrans-59.8-44.5172.5-66.7-165.5175.1175.10112.1E217 M222 F229 Y230 S242E217-K226 WeakPolarHBondContact OE1-CE 3.4Å; E217-K226 IonicContact OE1-NZ 3.42Å; E217-K226 PolarHBondContact OE1-NZ 3.13Å; E217-K226 IonicContact OE2-NZ 2.87Å; E217-K226 PolarHBondContact OE2-NZ 3.19Å; M222-K226 PolarHBondContact O-N 3.11Å; K226-F229 PolarHBondContact O-N 2.04Å; K226-Y230 WeakPolarHBondContact O-CB 3.22Å; K226-Y230 PolarHBondContact O-N 3.24Å; K226-S242 VanDerWaalsContact CG-O 3.27Å; K226-S242 WeakPolarHBondContact CG-O 3.4Å
227G85.1Confident79.1Confident31 Ų3174.1 Ų74.132%0.3240%0.397SS..Hα-helixtrans-65.7-39.817900000113.6C223 L224 V225 Y230 H231C223-G227 PolarHBondContact O-N 3.35Å; L224-G227 PolarHBondContact O-N 3.04Å; V225-G227 PolarHBondContact O-N 3.1Å; G227-Y230 PolarHBondContact O-N 3.26Å; G227-H231 PolarHBondContact O-CD2 3.31Å; G227-H231 VanDerWaalsContact O-CD2 3.3Å; G227-H231 PolarHBondContact O-N 3.42Å; G227-H231 VanDerWaalsContact O-N 3.1Å
228I83.8Confident77.6Confident60 Ų6075.5 Ų75.531%0.30842%0.424SS..Hα-helixtrans-65.5-46.9173.9-68.6163.3000110L224 V225 Y230 H231 C232 M263L224-I228 VanDerWaalsContact O-CG1 3.29Å; L224-I228 WeakPolarHBondContact O-CG1 3.18Å; L224-I228 PolarHBondContact O-N 2.94Å; V225-I228 PolarHBondContact O-N 2.59Å; I228-Y230 VanDerWaalsContact C-N 3.27Å; I228-Y230 PolarHBondContact O-N 3.13Å; I228-H231 CarbonylContact O-C 3.38Å; I228-H231 PolarHBondContact O-N 2.94Å; I228-C232 WeakPolarHBondContact O-CB 3.31Å; I228-C232 PolarHBondContact O-N 3.24Å; I228-C232 PolarHBondContact O-SG 2.95Å; I228-M263 HydrophobicContact CD1-CE 3.55Å; I228-M263 HydrophobicContact CD1-SD 4.09Å
229F83.3Confident76Confident15 Ų1573.3 Ų73.37%0.06642%0.424CS..Hα-helixtrans-69.3-21.9177.5-69-35.8000114.4V225 K226 S233 Y241 P245 R256 C259 M260V225-F229 HydrophobicContact CG1-CD2 3.59Å; V225-F229 HydrophobicContact CG1-CE2 3.35Å; V225-F229 HydrophobicContact CG1-CZ 4.22Å; V225-F229 WeakPolarHBondContact O-CB 3.14Å; V225-F229 WeakPolarHBondContact O-CD2 3.43Å; V225-F229 WeakPolarHBondContact O-CG 3.28Å; V225-F229 PolarHBondContact O-N 3.06Å; K226-F229 PolarHBondContact O-N 2.04Å; F229-S233 PolarHBondContact O-N 3Å; F229-Y241 HydrophobicContact CB-CD1 3.94Å; F229-Y241 HydrophobicContact CB-CE1 3.95Å; F229-Y241 HydrophobicContact CD1-CD1 4.31Å; F229-Y241 AromaticContact CD1-CE1 3.69Å; F229-Y241 HydrophobicContact CD1-CE1 3.69Å; F229-Y241 HydrophobicContact CD2-CD1 4.22Å; F229-Y241 AromaticContact CD2-CE1 3.41Å; F229-Y241 HydrophobicContact CD2-CE1 3.41Å; F229-Y241 VanDerWaalsContact CD2-CE1 3.41Å; F229-Y241 AromaticContact CD2-CZ 3.86Å; F229-Y241 AromaticContact CE1-CE1 3.93Å; F229-Y241 HydrophobicContact CE1-CE1 3.93Å; F229-Y241 AromaticContact CE2-CE1 3.65Å; F229-Y241 HydrophobicContact CE2-CE1 3.65Å; F229-Y241 AromaticContact CE2-CZ 3.79Å; F229-Y241 WeakPolarHBondContact CE2-OH 3.22Å; F229-Y241 AromaticContact CG-CD1 3.94Å; F229-Y241 HydrophobicContact CG-CD1 3.94Å; F229-Y241 AromaticContact CG-CE1 3.43Å; F229-Y241 HydrophobicContact CG-CE1 3.43Å; F229-Y241 VanDerWaalsContact CG-CE1 3.43Å; F229-Y241 AromaticContact CZ-CE1 3.9Å; F229-Y241 HydrophobicContact CZ-CE1 3.9Å; F229-P245 HydrophobicContact CD2-CB 3.95Å; F229-P245 HydrophobicContact CE2-CB 3.94Å; F229-R256 HydrophobicContact CZ-CB 4.42Å; F229-C259 HydrophobicContact CE1-CB 4.25Å; F229-C259 HydrophobicContact CZ-CB 4.38Å; F229-M260 HydrophobicContact CE2-CG 3.79Å; F229-M260 HydrophobicContact CE2-SD 4.07Å; F229-M260 HydrophobicContact CZ-CG 3.79Å
230Y80.9Confident74.8Confident124 Ų12473.5 Ų73.549%0.48642%0.416SS..Hα-helixtrans-67-51.2167179.9-117.2000110.7K226 G227 I228 C232 S233K226-Y230 WeakPolarHBondContact O-CB 3.22Å; K226-Y230 PolarHBondContact O-N 3.24Å; G227-Y230 PolarHBondContact O-N 3.26Å; I228-Y230 VanDerWaalsContact C-N 3.27Å; I228-Y230 PolarHBondContact O-N 3.13Å; Y230-C232 VanDerWaalsContact C-N 3.29Å; Y230-C232 PolarHBondContact O-N 3.1Å; Y230-S233 PolarHBondContact O-N 3.09Å
231H80.4Confident73.4Confident161 Ų16173.9 Ų73.975%0.74542%0.416SS*.Hα-helixtrans-72.3-15.1177.5-71.5-57.8000115.3G227 I228G227-H231 PolarHBondContact O-CD2 3.31Å; G227-H231 VanDerWaalsContact O-CD2 3.3Å; G227-H231 PolarHBondContact O-N 3.42Å; G227-H231 VanDerWaalsContact O-N 3.1Å; I228-H231 CarbonylContact O-C 3.38Å; I228-H231 PolarHBondContact O-N 2.94Å
232C72.3Confident72Confident99 Ų9973.4 Ų73.467%0.66941%0.413SS*.THydrogen-bonded Turntrans-100.83.8174.6-64.70000113.7I228 Y230I228-C232 WeakPolarHBondContact O-CB 3.31Å; I228-C232 PolarHBondContact O-N 3.24Å; I228-C232 PolarHBondContact O-SG 2.95Å; Y230-C232 VanDerWaalsContact C-N 3.29Å; Y230-C232 PolarHBondContact O-N 3.1Å
233S69.1Low70.9Confident37 Ų3778.4 Ų78.426%0.25944%0.44SS..SBendtrans-89.7135.9162.6-159.90000108.3F229 Y230F229-S233 PolarHBondContact O-N 3Å; Y230-S233 PolarHBondContact O-N 3.09Å
234N59Low69.9Low115 Ų11581.6 Ų81.662%0.61545%0.454SS*.  trans-68.2139.9159.2-88.923.8000108D236 E237N234-D236 PolarHBondContact O-N 3.1Å; N234-E237 PolarHBondContact O-N 2.69Å
235D59.7Low68.8Low144 Ų14477.6 Ų77.677%0.7743%0.433SS*.THydrogen-bonded Turntrans-67.1-12176.8-75.3-57.8000113.1
236D56.8Low67.8Low135 Ų13580.4 Ų80.472%0.72245%0.452SS*.THydrogen-bonded Turntrans-71.3-25.7178.5-53.5-67.2000113.5N234N234-D236 PolarHBondContact O-N 3.1Å
237E56.8Low67Low145 Ų14580.2 Ų80.268%0.67846%0.457SS*.SBendtrans-98.895.8-175.8-64.6-66.2156.400110.4N234 D239N234-E237 PolarHBondContact O-N 2.69Å; E237-D239 PolarHBondContact O-N 2.84Å
238G55.1Low65.9Low76 Ų7683 Ų8378%0.78447%0.47SS*.  trans-61.7-4.6-169.200000117.8S240G238-S240 PolarHBondContact O-N 3.13Å
239D54Low64.9Low124 Ų12485.4 Ų85.466%0.66349%0.493SS*.SBendtrans-85.679.2175.4-81.1-16.7000111.1E237 Y241E237-D239 PolarHBondContact O-N 2.84Å; D239-Y241 PolarHBondContact O-N 2.81Å
240S59.5Low63.9Low66 Ų6687.6 Ų87.646%0.46250%0.503SS..  trans-54.792.6-179-88.50000113.9G238 S242 D243G238-S240 PolarHBondContact O-N 3.13Å; S240-S242 PolarHBondContact O-N 3.08Å; S240-D243 PolarHBondContact O-N 3.46Å
241Y60.2Low63.1Low16 Ų1686.6 Ų86.66%0.06351%0.514CS..G310 helixtrans-65.3-24179.3170.3-119.6000113.2F229 D239 D243 N244 P245 R256F229-Y241 HydrophobicContact CB-CD1 3.94Å; F229-Y241 HydrophobicContact CB-CE1 3.95Å; F229-Y241 HydrophobicContact CD1-CD1 4.31Å; F229-Y241 AromaticContact CD1-CE1 3.69Å; F229-Y241 HydrophobicContact CD1-CE1 3.69Å; F229-Y241 HydrophobicContact CD2-CD1 4.22Å; F229-Y241 AromaticContact CD2-CE1 3.41Å; F229-Y241 HydrophobicContact CD2-CE1 3.41Å; F229-Y241 VanDerWaalsContact CD2-CE1 3.41Å; F229-Y241 AromaticContact CD2-CZ 3.86Å; F229-Y241 AromaticContact CE1-CE1 3.93Å; F229-Y241 HydrophobicContact CE1-CE1 3.93Å; F229-Y241 AromaticContact CE2-CE1 3.65Å; F229-Y241 HydrophobicContact CE2-CE1 3.65Å; F229-Y241 AromaticContact CE2-CZ 3.79Å; F229-Y241 WeakPolarHBondContact CE2-OH 3.22Å; F229-Y241 AromaticContact CG-CD1 3.94Å; F229-Y241 HydrophobicContact CG-CD1 3.94Å; F229-Y241 AromaticContact CG-CE1 3.43Å; F229-Y241 HydrophobicContact CG-CE1 3.43Å; F229-Y241 VanDerWaalsContact CG-CE1 3.43Å; F229-Y241 AromaticContact CZ-CE1 3.9Å; F229-Y241 HydrophobicContact CZ-CE1 3.9Å; D239-Y241 PolarHBondContact O-N 2.81Å; Y241-D243 PolarHBondContact O-N 3.29Å; Y241-D243 VanDerWaalsContact O-N 3.14Å; Y241-N244 VanDerWaalsContact CE2-O 3.31Å; Y241-N244 WeakPolarHBondContact CE2-O 3.48Å; Y241-N244 CarbonylContact O-C 3.57Å; Y241-N244 PolarHBondContact O-N 3.21Å; Y241-P245 WeakPolarHBondContact CE2-O 3.33Å; Y241-P245 WeakPolarHBondContact OH-CA 3.41Å; Y241-P245 PolarHBondContact OH-O 2.87Å; Y241-R256 HydrophobicContact CD1-CG 4.48Å; Y241-R256 VanDerWaalsContact CD1-CZ 3.47Å; Y241-R256 VanDerWaalsContact CD2-CZ 3.4Å; Y241-R256 HydrophobicContact CE1-CB 4.32Å; Y241-R256 VanDerWaalsContact CE1-CD 3.49Å; Y241-R256 HydrophobicContact CE1-CG 3.59Å; Y241-R256 VanDerWaalsContact CE1-NE 3.33Å; Y241-R256 WeakPolarHBondContact OH-CB 3.07Å
242S59.5Low62.5Low15 Ų1584.5 Ų84.511%0.10550%0.504CS..G310 helixtrans-48.3-34.517348.60000114.1K226 S240K226-S242 VanDerWaalsContact CG-O 3.27Å; K226-S242 WeakPolarHBondContact CG-O 3.4Å; S240-S242 PolarHBondContact O-N 3.08Å
243D65.3Low62.4Low107 Ų10781.3 Ų81.357%0.57248%0.483SS*.G310 helixtrans-77.3-28.9179.6-78-41.3000113.7S240 Y241 P245S240-D243 PolarHBondContact O-N 3.46Å; Y241-D243 PolarHBondContact O-N 3.29Å; Y241-D243 VanDerWaalsContact O-N 3.14Å; D243-P245 VanDerWaalsContact C-CD 3.41Å; D243-P245 WeakPolarHBondContact O-CD 3.49Å
244N66.2Low62.8Low109 Ų10984.4 Ų84.458%0.58350%0.503SS*.  trans-127.459.5-173.4-72.7-76.4000112.9Y241 C246 S247Y241-N244 VanDerWaalsContact CE2-O 3.31Å; Y241-N244 WeakPolarHBondContact CE2-O 3.48Å; Y241-N244 CarbonylContact O-C 3.57Å; Y241-N244 PolarHBondContact O-N 3.21Å; N244-C246 PolarHBondContact O-N 3.2Å; N244-C246 VanDerWaalsContact O-N 3.07Å; N244-S247 PolarHBondContact O-N 2.95Å; N244-S247 VanDerWaalsContact O-N 3.08Å
245P63.5Low63.8Low4 Ų482.8 Ų82.83%0.02650%0.501CS..THydrogen-bonded Turntrans-56.3-31.9-17721-33.1000113.3M222 V225 F229 Y241 D243 S247 M260M222-P245 HydrophobicContact SD-CB 4.47Å; M222-P245 HydrophobicContact SD-CG 3.87Å; V225-P245 HydrophobicContact CG1-CB 4.26Å; F229-P245 HydrophobicContact CD2-CB 3.95Å; F229-P245 HydrophobicContact CE2-CB 3.94Å; Y241-P245 WeakPolarHBondContact CE2-O 3.33Å; Y241-P245 WeakPolarHBondContact OH-CA 3.41Å; Y241-P245 PolarHBondContact OH-O 2.87Å; D243-P245 VanDerWaalsContact C-CD 3.41Å; D243-P245 WeakPolarHBondContact O-CD 3.49Å; P245-S247 PolarHBondContact O-N 3.07Å; P245-M260 HydrophobicContact CB-SD 4.09Å
246C66.1Low64.8Low61 Ų6177.8 Ų77.841%0.41247%0.471SS..THydrogen-bonded Turntrans-92.123.6-178.6-44.20000114.2N244 Y257N244-C246 PolarHBondContact O-N 3.2Å; N244-C246 VanDerWaalsContact O-N 3.07Å; C246-Y257 PolarHBondContact O-OH 2.95Å; C246-Y257 VanDerWaalsContact O-OH 3.09Å
247S70.4Confident66.1Low41 Ų4175.9 Ų75.929%0.28746%0.455SS..  trans-87.3132.9175-169.50000112.5N244 P245 S249N244-S247 PolarHBondContact O-N 2.95Å; N244-S247 VanDerWaalsContact O-N 3.08Å; P245-S247 PolarHBondContact O-N 3.07Å; S247-S249 PolarHBondContact OG-N 3.09Å; S247-S249 PolarHBondContact OG-OG 3.44Å
248C62.3Low67.4Low89 Ų8975.3 Ų75.360%0.60146%0.455SS*.  trans-88.5-4.5174.9-58.60000113.9Q250 Y257C248-Q250 PolarHBondContact O-N 3.09Å; C248-Y257 PolarHBondContact SG-OH 3.45Å
249S62.6Low68.8Low111 Ų11173.8 Ų73.878%0.77643%0.432SS*.SBendtrans-82.92.6-164.564.60000116.4S247S247-S249 PolarHBondContact OG-N 3.09Å; S247-S249 PolarHBondContact OG-OG 3.44Å
250Q63.2Low70.3Confident61 Ų6169.2 Ų69.229%0.28541%0.407SS..SBendtrans-124.4151.1-171.1-142.517420.300111.3C248 H252 C253 R256C248-Q250 PolarHBondContact O-N 3.09Å; Q250-H252 PolarHBondContact O-N 3.14Å; Q250-C253 WeakPolarHBondContact O-CB 3.36Å; Q250-C253 PolarHBondContact O-N 2.98Å; Q250-C253 VanDerWaalsContact O-N 3.1Å; Q250-R256 VanDerWaalsContact OE1-CZ 3.25Å
251S63.5Low71.5Confident102 Ų10268 Ų6871%0.71341%0.405SS*.THydrogen-bonded Turntrans-49.5-27.6-169.848.80000116.6
252H66.5Low72.8Confident117 Ų11769.4 Ų69.454%0.54242%0.42SS..THydrogen-bonded Turntrans-104.818.9-175.5-60.2-71.1000114.4Q250 C254 S255 R256Q250-H252 PolarHBondContact O-N 3.14Å; H252-C254 VanDerWaalsContact C-N 3.33Å; H252-C254 PolarHBondContact O-N 3.27Å; H252-S255 PolarHBondContact O-N 3Å; H252-S255 VanDerWaalsContact O-N 3.15Å; H252-R256 WeakPolarHBondContact O-CD 3.43Å; H252-R256 WeakPolarHBondContact O-CG 3.47Å; H252-R256 PolarHBondContact O-N 3.11Å; H252-R256 VanDerWaalsContact O-N 3.11Å
253C71.9Confident74.1Confident33 Ų3371 Ų7122%0.22343%0.426CS..Hα-helixtrans-51.6-43.7-175.262.90000114Q250 S255 R256 Y257Q250-C253 WeakPolarHBondContact O-CB 3.36Å; Q250-C253 PolarHBondContact O-N 2.98Å; Q250-C253 VanDerWaalsContact O-N 3.1Å; C253-S255 PolarHBondContact O-N 2.76Å; C253-R256 WeakPolarHBondContact O-CB 3.43Å; C253-R256 PolarHBondContact O-N 3.25Å; C253-Y257 WeakPolarHBondContact O-CD2 3.38Å; C253-Y257 PolarHBondContact O-N 2.88Å
254C76.6Confident75.2Confident102 Ų10266.7 Ų66.769%0.68941%0.405SS*.Hα-helixtrans-63.4-43.4179.3-62.40000113.1H252 R256 Y257 L258H252-C254 VanDerWaalsContact C-N 3.33Å; H252-C254 PolarHBondContact O-N 3.27Å; C254-R256 VanDerWaalsContact C-N 3.3Å; C254-R256 PolarHBondContact O-N 3.16Å; C254-Y257 PolarHBondContact O-N 2.97Å; C254-L258 WeakPolarHBondContact O-CB 3.4Å; C254-L258 PolarHBondContact O-N 3.14Å
255S80.2Confident76.1Confident80 Ų8068.4 Ų68.456%0.55941%0.413SS*.Hα-helixtrans-63.4-39177.1-178.30000111.4H252 C253 L258 C259H252-S255 PolarHBondContact O-N 3Å; H252-S255 VanDerWaalsContact O-N 3.15Å; C253-S255 PolarHBondContact O-N 2.76Å; S255-L258 WeakPolarHBondContact O-CB 3.09Å; S255-L258 PolarHBondContact O-N 3.37Å; S255-C259 WeakPolarHBondContact O-CB 3.34Å; S255-C259 PolarHBondContact O-N 2.87Å
256R80.4Confident77.2Confident39 Ų3976.1 Ų76.115%0.14745%0.447CS..Hα-helixtrans-66.5-45.6177.3-73161.7169.7-169.22.2112.7F229 Y241 Q250 H252 C253 C254 L258 C259 M260F229-R256 HydrophobicContact CZ-CB 4.42Å; Y241-R256 HydrophobicContact CD1-CG 4.48Å; Y241-R256 VanDerWaalsContact CD1-CZ 3.47Å; Y241-R256 VanDerWaalsContact CD2-CZ 3.4Å; Y241-R256 HydrophobicContact CE1-CB 4.32Å; Y241-R256 VanDerWaalsContact CE1-CD 3.49Å; Y241-R256 HydrophobicContact CE1-CG 3.59Å; Y241-R256 VanDerWaalsContact CE1-NE 3.33Å; Y241-R256 WeakPolarHBondContact OH-CB 3.07Å; Q250-R256 VanDerWaalsContact OE1-CZ 3.25Å; H252-R256 WeakPolarHBondContact O-CD 3.43Å; H252-R256 WeakPolarHBondContact O-CG 3.47Å; H252-R256 PolarHBondContact O-N 3.11Å; H252-R256 VanDerWaalsContact O-N 3.11Å; C253-R256 WeakPolarHBondContact O-CB 3.43Å; C253-R256 PolarHBondContact O-N 3.25Å; C254-R256 VanDerWaalsContact C-N 3.3Å; C254-R256 PolarHBondContact O-N 3.16Å; R256-L258 VanDerWaalsContact C-N 3.34Å; R256-C259 PolarHBondContact O-N 3.25Å; R256-M260 WeakPolarHBondContact O-CG 3.43Å; R256-M260 PolarHBondContact O-N 2.87Å
257Y84.4Confident78.2Confident96 Ų9674.9 Ų74.938%0.37644%0.435SS..Hα-helixtrans-65.9-35.5173.9-76.8-62000112.6C246 C248 C253 C254 M260 G261C246-Y257 PolarHBondContact O-OH 2.95Å; C246-Y257 VanDerWaalsContact O-OH 3.09Å; C248-Y257 PolarHBondContact SG-OH 3.45Å; C253-Y257 WeakPolarHBondContact O-CD2 3.38Å; C253-Y257 PolarHBondContact O-N 2.88Å; C254-Y257 PolarHBondContact O-N 2.97Å; Y257-M260 PolarHBondContact O-N 3.37Å; Y257-G261 PolarHBondContact O-N 3.29Å
258L84.5Confident79Confident132 Ų13277 Ų7769%0.69145%0.449SS*.Hα-helixtrans-62-45.3171.7-170.876.9000111.3C254 S255 R256 G261 A262C254-L258 WeakPolarHBondContact O-CB 3.4Å; C254-L258 PolarHBondContact O-N 3.14Å; S255-L258 WeakPolarHBondContact O-CB 3.09Å; S255-L258 PolarHBondContact O-N 3.37Å; R256-L258 VanDerWaalsContact C-N 3.34Å; L258-G261 PolarHBondContact O-N 2.88Å; L258-A262 WeakPolarHBondContact O-CB 3.26Å; L258-A262 PolarHBondContact O-N 2.89Å
259C83.5Confident80.2Confident45 Ų4574.3 Ų74.330%0.30443%0.43SS..Hα-helixtrans-61.9-48176-176.80000111.7F229 S255 R256 G261 A262 M263F229-C259 HydrophobicContact CE1-CB 4.25Å; F229-C259 HydrophobicContact CZ-CB 4.38Å; S255-C259 WeakPolarHBondContact O-CB 3.34Å; S255-C259 PolarHBondContact O-N 2.87Å; R256-C259 PolarHBondContact O-N 3.25Å; C259-G261 VanDerWaalsContact C-N 3.3Å; C259-G261 PolarHBondContact O-N 3.48Å; C259-A262 PolarHBondContact O-N 2.66Å; C259-M263 WeakPolarHBondContact O-CB 3.4Å; C259-M263 WeakPolarHBondContact O-CG 3.47Å; C259-M263 PolarHBondContact O-N 3.08Å
260M85.2Confident81.3Confident28 Ų2869.6 Ų69.614%0.13840%0.396CS..Hα-helixtrans-60.5-38.6174.9-69.3-171.866.400112.3M222 V225 F229 P245 R256 Y257 S264M222-M260 HydrophobicContact CE-CE 3.7Å; M222-M260 HydrophobicContact SD-CE 4.2Å; V225-M260 HydrophobicContact CG1-CE 4.16Å; V225-M260 HydrophobicContact CG1-CG 3.99Å; V225-M260 HydrophobicContact CG1-SD 4.28Å; F229-M260 HydrophobicContact CE2-CG 3.79Å; F229-M260 HydrophobicContact CE2-SD 4.07Å; F229-M260 HydrophobicContact CZ-CG 3.79Å; P245-M260 HydrophobicContact CB-SD 4.09Å; R256-M260 WeakPolarHBondContact O-CG 3.43Å; R256-M260 PolarHBondContact O-N 2.87Å; Y257-M260 PolarHBondContact O-N 3.37Å; M260-S264 WeakPolarHBondContact O-CB 3.3Å; M260-S264 PolarHBondContact O-N 3.28Å
261G85.9Confident82.4Confident40 Ų4072.3 Ų72.341%0.41241%0.412SS..Hα-helixtrans-64-45.2174.900000112.7Y257 L258 C259 S264 L265Y257-G261 PolarHBondContact O-N 3.29Å; L258-G261 PolarHBondContact O-N 2.88Å; C259-G261 VanDerWaalsContact C-N 3.3Å; C259-G261 PolarHBondContact O-N 3.48Å; G261-S264 WeakPolarHBondContact O-CB 3.1Å; G261-S264 PolarHBondContact O-N 2.88Å; G261-L265 PolarHBondContact O-N 2.93Å
262A87.8Confident83.7Confident46 Ų4670.9 Ų70.938%0.3840%0.401SS..Hα-helixtrans-63.2-46.1175.300000111.8L258 C259 S264 L265 F266L258-A262 WeakPolarHBondContact O-CB 3.26Å; L258-A262 PolarHBondContact O-N 2.89Å; C259-A262 PolarHBondContact O-N 2.66Å; A262-S264 PolarHBondContact O-N 3.39Å; A262-L265 WeakPolarHBondContact O-CB 3.49Å; A262-L265 PolarHBondContact O-N 3.44Å; A262-L265 VanDerWaalsContact O-N 3.08Å; A262-F266 VanDerWaalsContact O-CD2 3.29Å; A262-F266 WeakPolarHBondContact O-CD2 3.29Å
263M85.6Confident84.7Confident47 Ų4765.6 Ų65.623%0.23238%0.377CS..Hα-helixtrans-59.3-34.4174.1-69.6-56.4-58.600111.9I228 C259 L265 F266 L267 L270I228-M263 HydrophobicContact CD1-CE 3.55Å; I228-M263 HydrophobicContact CD1-SD 4.09Å; C259-M263 WeakPolarHBondContact O-CB 3.4Å; C259-M263 WeakPolarHBondContact O-CG 3.47Å; C259-M263 PolarHBondContact O-N 3.08Å; M263-L265 PolarHBondContact O-N 3.02Å; M263-F266 PolarHBondContact O-N 2.94Å; M263-F266 VanDerWaalsContact O-N 3.11Å; M263-L267 HydrophobicContact CE-CD1 3.81Å; M263-L267 WeakPolarHBondContact O-CB 3.32Å; M263-L267 PolarHBondContact O-N 3.45Å; M263-L270 HydrophobicContact CB-CD1 3.95Å
264S88.2Confident85.5Confident17 Ų1768.4 Ų68.412%0.11939%0.394CS..Hα-helixtrans-67.6-14.2177.1-167.30000114.8M260 G261 A262 L267 L271M260-S264 WeakPolarHBondContact O-CB 3.3Å; M260-S264 PolarHBondContact O-N 3.28Å; G261-S264 WeakPolarHBondContact O-CB 3.1Å; G261-S264 PolarHBondContact O-N 2.88Å; A262-S264 PolarHBondContact O-N 3.39Å; S264-L267 CarbonylContact O-C 3.38Å; S264-L271 VanDerWaalsContact OG-CD2 3.26Å; S264-L271 WeakPolarHBondContact OG-CD2 3.07Å; S264-L271 VanDerWaalsContact OG-CG 3.31Å; S264-L271 WeakPolarHBondContact OG-CG 3.33Å
265L86.2Confident86.1Confident145 Ų14567.1 Ų67.176%0.75939%0.385SS*.Hα-helixtrans-75.4-34.1170.7-59.8173.7000111.6G261 A262 M263G261-L265 PolarHBondContact O-N 2.93Å; A262-L265 WeakPolarHBondContact O-CB 3.49Å; A262-L265 PolarHBondContact O-N 3.44Å; A262-L265 VanDerWaalsContact O-N 3.08Å; M263-L265 PolarHBondContact O-N 3.02Å
266F86.9Confident86.4Confident167 Ų16764.6 Ų64.673%0.73237%0.368SS*.Hα-helixtrans-88.5-27176.7-54.8-77000112.4A262 M263A262-F266 VanDerWaalsContact O-CD2 3.29Å; A262-F266 WeakPolarHBondContact O-CD2 3.29Å; M263-F266 PolarHBondContact O-N 2.94Å; M263-F266 VanDerWaalsContact O-N 3.11Å
267L86.3Confident86.8Confident34 Ų3466.6 Ų66.618%0.17838%0.378CS..  trans-126.674.3-175.5-65.5171.6000110C221 L224 M263 S264 C269 L270C221-L267 HydrophobicContact CB-CB 4.37Å; C221-L267 HydrophobicContact CB-CD1 4.25Å; C221-L267 HydrophobicContact CB-CD2 4.24Å; L224-L267 HydrophobicContact CB-CD1 4.41Å; L224-L267 HydrophobicContact CD1-CD1 3.82Å; L224-L267 HydrophobicContact CD1-CD2 4.16Å; M263-L267 HydrophobicContact CE-CD1 3.81Å; M263-L267 WeakPolarHBondContact O-CB 3.32Å; M263-L267 PolarHBondContact O-N 3.45Å; S264-L267 CarbonylContact O-C 3.38Å; L267-C269 PolarHBondContact O-N 3.5Å; L267-L270 HydrophobicContact CB-CD1 3.78Å; L267-L270 HydrophobicContact CB-CG 4.02Å; L267-L270 HydrophobicContact CD1-CD1 4.24Å; L267-L270 WeakPolarHBondContact O-CB 3.5Å; L267-L270 WeakPolarHBondContact O-CG 3.38Å; L267-L270 PolarHBondContact O-N 3.19Å
268P86.6Confident86.9Confident87 Ų8763.9 Ų63.957%0.56538%0.379SS*.G310 helixtrans-60.8-20.5-178.624.3-34.5000113.4L270 L271P268-L270 PolarHBondContact O-N 3.37Å; P268-L270 VanDerWaalsContact O-N 3.13Å; P268-L271 WeakPolarHBondContact O-CB 3.24Å; P268-L271 PolarHBondContact O-N 2.95Å; P268-L271 VanDerWaalsContact O-N 3.11Å
269C88.8Confident87Confident31 Ų3161.2 Ų61.221%0.20937%0.371CS..G310 helixtrans-49.6-28.6166.940.60000114.1T220 C221 L267 L271 C272T220-C269 WeakPolarHBondContact CA-O 3.16Å; T220-C269 WeakPolarHBondContact CB-O 3.41Å; T220-C269 CarbonylContact O-C 3.59Å; T220-C269 VanDerWaalsContact O-C 3.25Å; C221-C269 HydrophobicContact CB-CB 4.11Å; C221-C269 WeakPolarHBondContact CB-SG 3.26Å; C221-C269 WeakPolarHBondContact SG-CB 3.2Å; C221-C269 CovalentContact SG-SG 2.04Å; C221-C269 PolarHBondContact SG-SG 3.34Å; L267-C269 PolarHBondContact O-N 3.5Å; C269-L271 VanDerWaalsContact C-N 3.32Å; C269-L271 PolarHBondContact O-N 3.12Å; C269-C272 WeakPolarHBondContact O-CB 3.05Å; C269-C272 PolarHBondContact O-N 3.22Å; C269-C272 VanDerWaalsContact O-N 3.1Å
270L85.8Confident87.1Confident12 Ų1260.1 Ų60.16%0.06336%0.362CS..G310 helixtrans-65.9-31.6178.7-69.3170.1000112.8T220 C221 M222 V225 M263 L267 P268 C272 Y273 P274T220-L270 WeakPolarHBondContact O-CA 3.31Å; T220-L270 WeakPolarHBondContact O-CD2 3.38Å; T220-L270 PolarHBondContact O-N 3.24Å; C221-L270 HydrophobicContact CB-CD2 4.36Å; C221-L270 HydrophobicContact CB-CG 4.46Å; M222-L270 HydrophobicContact CE-CD2 3.71Å; V225-L270 HydrophobicContact CG2-CD1 3.77Å; V225-L270 HydrophobicContact CG2-CD2 3.61Å; V225-L270 HydrophobicContact CG2-CG 4.39Å; M263-L270 HydrophobicContact CB-CD1 3.95Å; L267-L270 HydrophobicContact CB-CD1 3.78Å; L267-L270 HydrophobicContact CB-CG 4.02Å; L267-L270 HydrophobicContact CD1-CD1 4.24Å; L267-L270 WeakPolarHBondContact O-CB 3.5Å; L267-L270 WeakPolarHBondContact O-CG 3.38Å; L267-L270 PolarHBondContact O-N 3.19Å; P268-L270 PolarHBondContact O-N 3.37Å; P268-L270 VanDerWaalsContact O-N 3.13Å; L270-C272 PolarHBondContact O-N 2.88Å; L270-Y273 WeakPolarHBondContact O-CB 3.4Å; L270-Y273 PolarHBondContact O-N 3.01Å; L270-P274 WeakPolarHBondContact O-CD 3.46Å
271L86Confident87.2Confident119 Ų11965.5 Ų65.562%0.62339%0.385SS*.G310 helixtrans-65-22.8174.4-60.3-178.9000112.3S264 P268 C269 Y273 P275S264-L271 VanDerWaalsContact OG-CD2 3.26Å; S264-L271 WeakPolarHBondContact OG-CD2 3.07Å; S264-L271 VanDerWaalsContact OG-CG 3.31Å; S264-L271 WeakPolarHBondContact OG-CG 3.33Å; P268-L271 WeakPolarHBondContact O-CB 3.24Å; P268-L271 PolarHBondContact O-N 2.95Å; P268-L271 VanDerWaalsContact O-N 3.11Å; C269-L271 VanDerWaalsContact C-N 3.32Å; C269-L271 PolarHBondContact O-N 3.12Å; L271-Y273 VanDerWaalsContact C-N 3.34Å; L271-P275 VanDerWaalsContact O-CD 3.26Å; L271-P275 WeakPolarHBondContact O-CD 3.36Å
272C89.5Confident87.2Confident71 Ų7169.1 Ų69.148%0.4839%0.394SS..G310 helixtrans-80.2-12.7174.8-56.40000112.9T220 C269 L270 P275 A276T220-C272 HydrophobicContact CG2-CB 4.16Å; C269-C272 WeakPolarHBondContact O-CB 3.05Å; C269-C272 PolarHBondContact O-N 3.22Å; C269-C272 VanDerWaalsContact O-N 3.1Å; L270-C272 PolarHBondContact O-N 2.88Å; C272-P275 WeakPolarHBondContact O-CD 3.45Å; C272-P275 WeakPolarHBondContact O-CG 3.39Å; C272-A276 WeakPolarHBondContact O-CB 3.36Å; C272-A276 PolarHBondContact O-N 3.34Å
273Y89.1Confident87Confident7 Ų770.2 Ų70.23%0.02740%0.398CS..Hα-helixtrans-67.2-48.7-180-175.7-108.4000114.2V216 E217 T220 M222 L270 L271 A276 K277V216-Y273 HydrophobicContact CG1-CD2 3.81Å; V216-Y273 HydrophobicContact CG1-CE2 4.07Å; E217-Y273 HydrophobicContact CG-CE2 3.92Å; E217-Y273 PolarHBondContact OE1-OH 2.94Å; E217-Y273 VanDerWaalsContact OE1-OH 3.13Å; T220-Y273 HydrophobicContact CG2-CD2 4.45Å; T220-Y273 VanDerWaalsContact OG1-CD2 3.24Å; T220-Y273 WeakPolarHBondContact OG1-CD2 3.43Å; M222-Y273 HydrophobicContact CB-CD2 3.94Å; M222-Y273 HydrophobicContact CB-CE2 3.94Å; M222-Y273 HydrophobicContact CB-CG 4.3Å; M222-Y273 HydrophobicContact CE-CD1 3.49Å; M222-Y273 VanDerWaalsContact CE-CD1 3.49Å; M222-Y273 HydrophobicContact CE-CD2 4.45Å; M222-Y273 HydrophobicContact CE-CE1 3.86Å; M222-Y273 HydrophobicContact CE-CG 3.76Å; M222-Y273 HydrophobicContact CG-CD1 4.35Å; M222-Y273 HydrophobicContact CG-CD2 4.17Å; M222-Y273 HydrophobicContact CG-CE1 3.97Å; M222-Y273 HydrophobicContact CG-CE2 3.82Å; M222-Y273 HydrophobicContact CG-CG 4.38Å; M222-Y273 HydrophobicContact SD-CD1 4.45Å; M222-Y273 HydrophobicContact SD-CE1 4.23Å; L270-Y273 WeakPolarHBondContact O-CB 3.4Å; L270-Y273 PolarHBondContact O-N 3.01Å; L271-Y273 VanDerWaalsContact C-N 3.34Å; Y273-A276 PolarHBondContact O-N 3.1Å; Y273-K277 HydrophobicContact CD1-CD 4.39Å; Y273-K277 HydrophobicContact CE1-CD 3.64Å; Y273-K277 HydrophobicContact CE2-CD 4.23Å; Y273-K277 WeakPolarHBondContact O-CB 3.37Å; Y273-K277 PolarHBondContact O-N 3.36Å; Y273-K277 WeakPolarHBondContact OH-CE 3.46Å; Y273-K277 PolarHBondContact OH-NZ 3.27Å
274P88.4Confident87Confident91 Ų9171.3 Ų71.359%0.59140%0.4SS*.Hα-helixtrans-55.6-50.7175.6-23.433.3000114.1L270 G278L270-P274 WeakPolarHBondContact O-CD 3.46Å; P274-G278 PolarHBondContact O-N 2.99Å
275P89.3Confident86.7Confident76 Ų7672.5 Ų72.549%0.49441%0.414SS..Hα-helixtrans-67.4-42.5177.525.6-32.4000112.1L271 C272 K277 G278 C279L271-P275 VanDerWaalsContact O-CD 3.26Å; L271-P275 WeakPolarHBondContact O-CD 3.36Å; C272-P275 WeakPolarHBondContact O-CD 3.45Å; C272-P275 WeakPolarHBondContact O-CG 3.39Å; P275-K277 PolarHBondContact O-N 2.86Å; P275-G278 CarbonylContact O-C 3.59Å; P275-G278 WeakPolarHBondContact O-CA 3.37Å; P275-G278 PolarHBondContact O-N 3.3Å; P275-G278 VanDerWaalsContact O-N 3.1Å; P275-C279 PolarHBondContact O-N 3.19Å; P275-C279 PolarHBondContact O-SG 3.2Å
276A86.8Confident86.6Confident26 Ų2668.2 Ų68.222%0.21540%0.396CS..Hα-helixtrans-62.4-42.2178.800000112.5V216 T220 C272 Y273 G278 C279 L280V216-A276 HydrophobicContact CG1-CB 3.71Å; V216-A276 HydrophobicContact CG2-CB 4.06Å; T220-A276 HydrophobicContact CG2-CB 4.41Å; C272-A276 WeakPolarHBondContact O-CB 3.36Å; C272-A276 PolarHBondContact O-N 3.34Å; Y273-A276 PolarHBondContact O-N 3.1Å; A276-G278 VanDerWaalsContact C-N 3.29Å; A276-G278 PolarHBondContact O-N 3.41Å; A276-C279 PolarHBondContact O-N 3.5Å; A276-L280 WeakPolarHBondContact O-CG 3.13Å; A276-L280 PolarHBondContact O-N 3.27Å
277K87.3Confident86.4Confident81 Ų8163.5 Ų63.535%0.35237%0.374SS..Hα-helixtrans-67.2-31174.7-164.6173.9-165.4169.90111.9Y273 P275 K281Y273-K277 HydrophobicContact CD1-CD 4.39Å; Y273-K277 HydrophobicContact CE1-CD 3.64Å; Y273-K277 HydrophobicContact CE2-CD 4.23Å; Y273-K277 WeakPolarHBondContact O-CB 3.37Å; Y273-K277 PolarHBondContact O-N 3.36Å; Y273-K277 WeakPolarHBondContact OH-CE 3.46Å; Y273-K277 PolarHBondContact OH-NZ 3.27Å; P275-K277 PolarHBondContact O-N 2.86Å; K277-K281 WeakPolarHBondContact O-CG 3.29Å; K277-K281 PolarHBondContact O-N 3.27Å; K277-K281 VanDerWaalsContact O-N 3.15Å
278G86.9Confident86.3Confident39 Ų3963 Ų6340%0.40237%0.371SS..Hα-helixtrans-63.7-51.9168.600000112.3P274 P275 A276 L280 K281 L282P274-G278 PolarHBondContact O-N 2.99Å; P275-G278 CarbonylContact O-C 3.59Å; P275-G278 WeakPolarHBondContact O-CA 3.37Å; P275-G278 PolarHBondContact O-N 3.3Å; P275-G278 VanDerWaalsContact O-N 3.1Å; A276-G278 VanDerWaalsContact C-N 3.29Å; A276-G278 PolarHBondContact O-N 3.41Å; G278-L280 PolarHBondContact O-N 3.32Å; G278-K281 PolarHBondContact O-N 2.79Å; G278-K281 VanDerWaalsContact O-N 3.13Å; G278-L282 PolarHBondContact O-N 3.21Å
279C86.5Confident86.1Confident76 Ų7667.1 Ų67.151%0.51438%0.375SS..Hα-helixtrans-56.3-45.9174.8-66.60000111.5P275 A276 K281 L282 C283P275-C279 PolarHBondContact O-N 3.19Å; P275-C279 PolarHBondContact O-SG 3.2Å; A276-C279 PolarHBondContact O-N 3.5Å; C279-K281 VanDerWaalsContact C-N 3.34Å; C279-K281 PolarHBondContact O-N 3.42Å; C279-L282 PolarHBondContact O-N 2.84Å; C279-C283 WeakPolarHBondContact O-CB 3.29Å; C279-C283 PolarHBondContact O-N 3.11Å; C279-C283 PolarHBondContact O-SG 3.15Å
280L86.1Confident85.7Confident22 Ų2271.4 Ų71.412%0.11540%0.395CS..Hα-helixtrans-58.7-42.4175.1-71.6-175.2000112.9A212 V216 A276 G278 C283 R284A212-L280 HydrophobicContact CB-CD2 3.65Å; A212-L280 WeakPolarHBondContact O-CD1 3.15Å; V216-L280 HydrophobicContact CB-CD1 3.89Å; V216-L280 HydrophobicContact CG1-CD1 4.38Å; V216-L280 HydrophobicContact CG2-CD1 3.64Å; V216-L280 HydrophobicContact CG2-CD2 4.35Å; V216-L280 HydrophobicContact CG2-CG 4.01Å; A276-L280 WeakPolarHBondContact O-CG 3.13Å; A276-L280 PolarHBondContact O-N 3.27Å; G278-L280 PolarHBondContact O-N 3.32Å; L280-C283 PolarHBondContact O-N 3.3Å; L280-R284 WeakPolarHBondContact O-CG 3.34Å; L280-R284 PolarHBondContact O-N 3.22Å
281K86.7Confident85.2Confident141 Ų14175.7 Ų75.761%0.61342%0.415SS*.Hα-helixtrans-64.8-40.7175.7-78.1-177.4175.3-174.80111.8K277 G278 C279 R284 G285K277-K281 WeakPolarHBondContact O-CG 3.29Å; K277-K281 PolarHBondContact O-N 3.27Å; K277-K281 VanDerWaalsContact O-N 3.15Å; G278-K281 PolarHBondContact O-N 2.79Å; G278-K281 VanDerWaalsContact O-N 3.13Å; C279-K281 VanDerWaalsContact C-N 3.34Å; C279-K281 PolarHBondContact O-N 3.42Å; K281-R284 PolarHBondContact O-N 3.1Å; K281-G285 PolarHBondContact O-N 2.84Å
282L86.6Confident85Confident117 Ų11771.6 Ų71.661%0.61339%0.391SS*.Hα-helixtrans-65.1-47.2175.6-17761.3000111.2G278 C279 R284 G285 C286G278-L282 PolarHBondContact O-N 3.21Å; C279-L282 PolarHBondContact O-N 2.84Å; L282-R284 PolarHBondContact O-N 2.96Å; L282-G285 CarbonylContact O-C 3.44Å; L282-G285 WeakPolarHBondContact O-CA 3.49Å; L282-G285 PolarHBondContact O-N 3.35Å; L282-C286 PolarHBondContact O-N 3.2Å; L282-C286 PolarHBondContact O-SG 3.45Å; L282-C286 VanDerWaalsContact O-SG 3.38Å
283C83.1Confident84.4Confident68 Ų6871.6 Ų71.646%0.45939%0.39SS..Hα-helixtrans-59.6-41.7176-68.10000112.1L198 C279 L280 Y287L198-C283 HydrophobicContact CD1-CB 4.43Å; C279-C283 WeakPolarHBondContact O-CB 3.29Å; C279-C283 PolarHBondContact O-N 3.11Å; C279-C283 PolarHBondContact O-SG 3.15Å; L280-C283 PolarHBondContact O-N 3.3Å; C283-Y287 WeakPolarHBondContact O-CB 3.47Å; C283-Y287 PolarHBondContact O-N 3.35Å
284R84.9Confident84.2Confident71 Ų7171.3 Ų71.327%0.26839%0.389SS..Hα-helixtrans-60-45.5170.4-73.6175-155.2137.918111.9L198 E213 L280 K281 L282 Y287 D288L198-R284 HydrophobicContact CB-CG 4.46Å; L198-R284 HydrophobicContact CD1-CG 3.6Å; L198-R284 HydrophobicContact CG-CG 3.68Å; E213-R284 VanDerWaalsContact CD-NH2 3.31Å; E213-R284 VanDerWaalsContact CG-NH2 3.33Å; E213-R284 IonicContact OE1-CZ 2.62Å; E213-R284 VanDerWaalsContact OE1-CZ 3.29Å; E213-R284 IonicContact OE1-NE 2.69Å; E213-R284 PolarHBondContact OE1-NE 2.98Å; E213-R284 IonicContact OE1-NH2 3.37Å; E213-R284 PolarHBondContact OE1-NH2 3.34Å; L280-R284 WeakPolarHBondContact O-CG 3.34Å; L280-R284 PolarHBondContact O-N 3.22Å; K281-R284 PolarHBondContact O-N 3.1Å; L282-R284 PolarHBondContact O-N 2.96Å; R284-Y287 PolarHBondContact O-N 3.3Å; R284-D288 WeakPolarHBondContact O-CB 3.27Å; R284-D288 PolarHBondContact O-N 2.9Å
285G82.8Confident84.1Confident41 Ų4167.3 Ų67.342%0.42336%0.364SS..Hα-helixtrans-62.9-42.8178.900000113.4K281 L282 W289K281-G285 PolarHBondContact O-N 2.84Å; L282-G285 CarbonylContact O-C 3.44Å; L282-G285 WeakPolarHBondContact O-CA 3.49Å; L282-G285 PolarHBondContact O-N 3.35Å; G285-W289 VanDerWaalsContact O-CB 3.31Å; G285-W289 WeakPolarHBondContact O-CB 3.47Å; G285-W289 PolarHBondContact O-N 3.21Å
286C83.4Confident83.8Confident56 Ų5670.1 Ų70.138%0.37836%0.364SS..Hα-helixtrans-68.3-39.2173.7-65.50000111.9L282 W289 I290L282-C286 PolarHBondContact O-N 3.2Å; L282-C286 PolarHBondContact O-SG 3.45Å; L282-C286 VanDerWaalsContact O-SG 3.38Å; C286-W289 WeakPolarHBondContact O-CB 3.44Å; C286-W289 PolarHBondContact O-N 3.05Å; C286-I290 VanDerWaalsContact O-CG1 3.31Å; C286-I290 WeakPolarHBondContact O-CG1 3.43Å; C286-I290 PolarHBondContact O-N 3.46Å
287Y83.2Confident83.8Confident68 Ų6871 Ų7127%0.26737%0.369SS..Hα-helixtrans-63.6-48.1176.8-175.5-99.3000111.6R196 T197 L198 C283 R284 I290 H291R196-Y287 HydrophobicContact CB-CD1 4.31Å; R196-Y287 HydrophobicContact CB-CE1 4.12Å; T197-Y287 WeakPolarHBondContact O-CE1 3.37Å; L198-Y287 HydrophobicContact CD2-CD1 4.33Å; L198-Y287 HydrophobicContact CD2-CD2 4.22Å; L198-Y287 HydrophobicContact CD2-CG 3.9Å; C283-Y287 WeakPolarHBondContact O-CB 3.47Å; C283-Y287 PolarHBondContact O-N 3.35Å; R284-Y287 PolarHBondContact O-N 3.3Å; Y287-I290 PolarHBondContact O-N 2.89Å; Y287-H291 AromaticContact CD2-CE1 3.44Å; Y287-H291 VanDerWaalsContact CD2-CE1 3.44Å; Y287-H291 WeakPolarHBondContact CD2-CE1 3.31Å; Y287-H291 AromaticContact CD2-ND1 3.26Å; Y287-H291 VanDerWaalsContact CD2-ND1 3.26Å; Y287-H291 WeakPolarHBondContact CD2-ND1 3.43Å; Y287-H291 AromaticContact CE2-CE1 3.49Å; Y287-H291 VanDerWaalsContact CE2-CE1 3.49Å; Y287-H291 WeakPolarHBondContact CE2-CE1 3.48Å; Y287-H291 AromaticContact CE2-CG 3.77Å; Y287-H291 AromaticContact CE2-ND1 3.41Å; Y287-H291 WeakPolarHBondContact CE2-ND1 3.43Å; Y287-H291 AromaticContact CE2-NE2 3.88Å; Y287-H291 AromaticContact CG-ND1 3.79Å; Y287-H291 WeakPolarHBondContact O-CB 3.2Å; Y287-H291 PolarHBondContact O-N 2.92Å; Y287-H291 PolarHBondContact O-ND1 3.39Å
288D84.8Confident83.6Confident23 Ų2376.7 Ų76.712%0.12339%0.393CS..Hα-helixtrans-63.1-39.4173.3-175.450.4000112P195 R196 R284 I290 R292P195-D288 WeakPolarHBondContact CA-OD1 3.37Å; R196-D288 PolarHBondContact N-OD1 3.06Å; R284-D288 WeakPolarHBondContact O-CB 3.27Å; R284-D288 PolarHBondContact O-N 2.9Å; D288-I290 VanDerWaalsContact C-N 3.33Å; D288-I290 PolarHBondContact O-N 2.83Å; D288-R292 WeakPolarHBondContact O-CB 3.18Å; D288-R292 PolarHBondContact O-N 3.17Å; D288-R292 VanDerWaalsContact O-N 3.09Å; D288-R292 IonicContact OD1-CZ 3.39Å; D288-R292 IonicContact OD1-NE 3.29Å; D288-R292 PolarHBondContact OD1-NE 3.11Å; D288-R292 VanDerWaalsContact OD1-NE 3.17Å; D288-R292 IonicContact OD1-NH2 2.77Å; D288-R292 PolarHBondContact OD1-NH2 3.43Å; D288-R292 IonicContact OD2-CZ 3.22Å; D288-R292 IonicContact OD2-NE 3.3Å; D288-R292 PolarHBondContact OD2-NE 3.27Å; D288-R292 IonicContact OD2-NH2 3.73Å; D288-R292 PolarHBondContact OD2-NH2 3.16Å
289W81.1Confident83.2Confident173 Ų17382 Ų8266%0.65541%0.412SS*.Hα-helixtrans-55.6-48.7175.1-171.8-42.6000111.5G285 C286 R296G285-W289 VanDerWaalsContact O-CB 3.31Å; G285-W289 WeakPolarHBondContact O-CB 3.47Å; G285-W289 PolarHBondContact O-N 3.21Å; C286-W289 WeakPolarHBondContact O-CB 3.44Å; C286-W289 PolarHBondContact O-N 3.05Å; W289-R296 VanDerWaalsContact CD2-NH1 3.34Å
290I80.9Confident82.9Confident122 Ų12279.1 Ų79.163%0.62639%0.393SS*.Hα-helixtrans-79.2-44.7-172.8-65.5166000111.6C286 Y287 D288C286-I290 VanDerWaalsContact O-CG1 3.31Å; C286-I290 WeakPolarHBondContact O-CG1 3.43Å; C286-I290 PolarHBondContact O-N 3.46Å; Y287-I290 PolarHBondContact O-N 2.89Å; D288-I290 VanDerWaalsContact C-N 3.33Å; D288-I290 PolarHBondContact O-N 2.83Å
291H76.6Confident82.7Confident102 Ų10283.3 Ų83.347%0.47242%0.416SS..Hα-helixtrans-96.1-6.7-169-58.183.7000114.3Y287 P293Y287-H291 AromaticContact CD2-CE1 3.44Å; Y287-H291 VanDerWaalsContact CD2-CE1 3.44Å; Y287-H291 WeakPolarHBondContact CD2-CE1 3.31Å; Y287-H291 AromaticContact CD2-ND1 3.26Å; Y287-H291 VanDerWaalsContact CD2-ND1 3.26Å; Y287-H291 WeakPolarHBondContact CD2-ND1 3.43Å; Y287-H291 AromaticContact CE2-CE1 3.49Å; Y287-H291 VanDerWaalsContact CE2-CE1 3.49Å; Y287-H291 WeakPolarHBondContact CE2-CE1 3.48Å; Y287-H291 AromaticContact CE2-CG 3.77Å; Y287-H291 AromaticContact CE2-ND1 3.41Å; Y287-H291 WeakPolarHBondContact CE2-ND1 3.43Å; Y287-H291 AromaticContact CE2-NE2 3.88Å; Y287-H291 AromaticContact CG-ND1 3.79Å; Y287-H291 WeakPolarHBondContact O-CB 3.2Å; Y287-H291 PolarHBondContact O-N 2.92Å; Y287-H291 PolarHBondContact O-ND1 3.39Å; H291-P293 WeakPolarHBondContact O-CD 3.33Å
292R80.8Confident82.7Confident32 Ų3280.4 Ų80.412%0.12141%0.41CS..  trans-67.3119.9175.5177.6-172.1-73.2-122.7-5111.2K186 C192 T193 D288K186-R292 PolarHBondContact NZ-O 3.17Å; C192-R292 WeakPolarHBondContact O-CG 3.47Å; T193-R292 VanDerWaalsContact O-CZ 3.28Å; T193-R292 PolarHBondContact O-NH1 3.41Å; T193-R292 PolarHBondContact O-NH2 3.15Å; D288-R292 WeakPolarHBondContact O-CB 3.18Å; D288-R292 PolarHBondContact O-N 3.17Å; D288-R292 VanDerWaalsContact O-N 3.09Å; D288-R292 IonicContact OD1-CZ 3.39Å; D288-R292 IonicContact OD1-NE 3.29Å; D288-R292 PolarHBondContact OD1-NE 3.11Å; D288-R292 VanDerWaalsContact OD1-NE 3.17Å; D288-R292 IonicContact OD1-NH2 2.77Å; D288-R292 PolarHBondContact OD1-NH2 3.43Å; D288-R292 IonicContact OD2-CZ 3.22Å; D288-R292 IonicContact OD2-NE 3.3Å; D288-R292 PolarHBondContact OD2-NE 3.27Å; D288-R292 IonicContact OD2-NH2 3.73Å; D288-R292 PolarHBondContact OD2-NH2 3.16Å
293P77.2Confident82.5Confident71 Ų7177.7 Ų77.746%0.46140%0.398SS..  trans-76.9-27.5-179.531.1-34.6000112.8K186 H291K186-P293 WeakPolarHBondContact CB-O 3.41Å; K186-P293 VanDerWaalsContact CD-O 3.29Å; K186-P293 WeakPolarHBondContact CD-O 3.38Å; K186-P293 WeakPolarHBondContact CG-O 3.34Å; H291-P293 WeakPolarHBondContact O-CD 3.33Å
294G84.6Confident82.4Confident1 Ų180.4 Ų80.41%0.0140%0.399CS..SBendtrans-82.1172.4-177.100000115.9K186 C187 C192K186-G294 WeakPolarHBondContact CD-O 3.48Å; C187-G294 CarbonylContact O-C 3.51Å; C187-G294 WeakPolarHBondContact O-CA 3.39Å; C192-G294 WeakPolarHBondContact O-CA 3.36Å; C192-G294 PolarHBondContact O-N 3.27Å
295C86.6Confident81.8Confident8 Ų879.7 Ų79.75%0.05441%0.405CS..  trans-74.2160.2-175.4-155.50000113.6C181 C184 K186 C187 K188C181-C295 HydrophobicContact CB-CB 3.84Å; C181-C295 WeakPolarHBondContact CB-SG 3.49Å; C181-C295 PolarHBondContact SG-SG 3.17Å; C184-C295 WeakPolarHBondContact CB-SG 3.45Å; C184-C295 WeakPolarHBondContact SG-CB 3.48Å; C184-C295 CovalentContact SG-SG 2.04Å; C184-C295 PolarHBondContact SG-SG 3.44Å; K186-C295 HydrophobicContact CB-CB 4.02Å; C187-C295 PolarHBondContact O-N 3.12Å; K188-C295 HydrophobicContact CG-CB 3.97Å
296R83.8Confident80.9Confident135 Ų13584.4 Ų84.451%0.50941%0.413SS..  trans-129.64.8178.3-60.3175.872.6-160.93113.6W289 K298W289-R296 VanDerWaalsContact CD2-NH1 3.34Å; R296-K298 PolarHBondContact O-N 3.02Å
297C85.8Confident79.7Confident45 Ų4588.7 Ų88.730%0.30443%0.432SS..  trans-73.3114.4179.3-65.10000111.6S300C297-S300 WeakPolarHBondContact CB-OG 3.48Å; C297-S300 PolarHBondContact O-OG 3.25Å; C297-S300 VanDerWaalsContact O-OG 3.07Å
298K82.9Confident77.9Confident200 Ų20091.9 Ų91.987%0.8745%0.449SS*.THydrogen-bonded Turntrans-61.7-46.2-175.2-63.5-176.7178-178.80113.8R296R296-K298 PolarHBondContact O-N 3.02Å
299N79.5Confident76Confident149 Ų14996.1 Ų96.180%0.79748%0.481SS*.THydrogen-bonded Turntrans-120.367.7-172.3-63.944.8000109.9
300S80.2Confident74Confident17 Ų1793.4 Ų93.412%0.11949%0.487CS..  trans-130142.9179.854.40000109.8C181 K188 C297C181-S300 WeakPolarHBondContact SG-CB 3.46Å; C181-S300 PolarHBondContact SG-OG 3.35Å; K188-S300 VanDerWaalsContact CE-OG 3.32Å; K188-S300 WeakPolarHBondContact CE-OG 3.39Å; K188-S300 PolarHBondContact NZ-O 3.34Å; K188-S300 PolarHBondContact NZ-OG 3.13Å; C297-S300 WeakPolarHBondContact CB-OG 3.48Å; C297-S300 PolarHBondContact O-OG 3.25Å; C297-S300 VanDerWaalsContact O-OG 3.07Å
301N82.2Confident72Confident110 Ų11093.3 Ų93.359%0.58849%0.494SS*.  trans-69.2176.5174.3-61.3-34.1000111.4E182 K188E182-N301 VanDerWaalsContact CD-CB 3.5Å; E182-N301 HydrophobicContact CG-CB 4.41Å; E182-N301 VanDerWaalsContact OE1-CB 3.31Å; E182-N301 WeakPolarHBondContact OE1-CB 3.5Å; E182-N301 WeakPolarHBondContact OE2-CB 3.4Å; E182-N301 PolarHBondContact OE2-ND2 2.96Å; K188-N301 PolarHBondContact NZ-O 3.06Å
302T85.1Confident70.3Confident79 Ų7994.1 Ų94.149%0.48551%0.511SS..EExtended strand (participates in β ladder)trans-127.3108.1-179.158.80000110.1I180 K188I180-T302 CarbonylContact O-C 3.55Å; I180-T302 WeakPolarHBondContact O-CA 3Å; K188-T302 HydrophobicContact CD-CG2 3.54Å
303V83Confident68.4Low60 Ų60103.6 Ų103.636%0.36455%0.547SS..EExtended strand (participates in β ladder)trans-81.8138.2170.2-82.70000109.9I180 E182I180-V303 HydrophobicContact CB-CG2 4.19Å; I180-V303 PolarHBondContact N-O 3.11Å; I180-V303 WeakPolarHBondContact O-CG2 3.49Å; I180-V303 PolarHBondContact O-N 3.18Å; E182-V303 HydrophobicContact CG-CB 4.39Å; E182-V303 HydrophobicContact CG-CG1 3.67Å; E182-V303 HydrophobicContact CG-CG2 3.99Å
304Y81.3Confident66.7Low126 Ų126103 Ų10349%0.49455%0.553SS.*EExtended strand (participates in β ladder)trans-87.2107.5172-176.9-89.8000109K178 F179 K306K178-Y304 HydrophobicContact CB-CD2 4.05Å; K178-Y304 HydrophobicContact CB-CE2 3.84Å; K178-Y304 HydrophobicContact CD-CE1 4.07Å; K178-Y304 HydrophobicContact CD-CE2 3.82Å; K178-Y304 VanDerWaalsContact CD-CZ 3.45Å; K178-Y304 VanDerWaalsContact CD-OH 3.22Å; K178-Y304 WeakPolarHBondContact CD-OH 3.44Å; K178-Y304 PolarHBondContact NZ-OH 3.07Å; F179-Y304 HydrophobicContact CE1-CD2 4.23Å; F179-Y304 HydrophobicContact CZ-CD2 4.46Å; Y304-K306 VanDerWaalsContact C-N 3.31Å; Y304-K306 HydrophobicContact CD1-CB 4.1Å; Y304-K306 HydrophobicContact CE1-CB 4.07Å; Y304-K306 PolarHBondContact O-N 2.68Å
305C71.4Confident64.6Low56 Ų56112.3 Ų112.338%0.37860%0.596SS.*  trans-7288.9171.1-78.60000109.9K178 I180 L307K178-C305 PolarHBondContact O-N 3.5Å; I180-C305 HydrophobicContact CG1-CB 4.03Å; I180-C305 WeakPolarHBondContact CG1-SG 3.44Å; C305-L307 PolarHBondContact O-N 3.49Å
306K64.1Low62.4Low139 Ų139119 Ų11960%0.60463%0.632SS**  trans-66.589.4159.9-171.8-166-179.8-161.10107.7Y304 E308Y304-K306 VanDerWaalsContact C-N 3.31Å; Y304-K306 HydrophobicContact CD1-CB 4.1Å; Y304-K306 HydrophobicContact CE1-CB 4.07Å; Y304-K306 PolarHBondContact O-N 2.68Å; K306-E308 VanDerWaalsContact C-N 3.31Å; K306-E308 HydrophobicContact CD-CG 4.12Å; K306-E308 WeakPolarHBondContact CE-OE1 3.46Å; K306-E308 HydrophobicContact CG-CG 4.3Å; K306-E308 IonicContact NZ-OE1 3.17Å; K306-E308 PolarHBondContact NZ-OE1 3.48Å; K306-E308 PolarHBondContact O-N 3.31Å
307L58.3Low60.3Low147 Ų147121.6 Ų121.677%0.7765%0.647SS**  trans-58.498.7161.7-87.9163.2000107.6C305 S309C305-L307 PolarHBondContact O-N 3.49Å; L307-S309 PolarHBondContact O-N 3.15Å; L307-S309 VanDerWaalsContact O-N 3.16Å
308E45.5Very low58.6Low135 Ų135124.8 Ų124.863%0.63167%0.667SS**  trans-71106.7165.5-59.4-149.7134.300106.8K306 C310K306-E308 VanDerWaalsContact C-N 3.31Å; K306-E308 HydrophobicContact CD-CG 4.12Å; K306-E308 WeakPolarHBondContact CE-OE1 3.46Å; K306-E308 HydrophobicContact CG-CG 4.3Å; K306-E308 IonicContact NZ-OE1 3.17Å; K306-E308 PolarHBondContact NZ-OE1 3.48Å; K306-E308 PolarHBondContact O-N 3.31Å; E308-C310 PolarHBondContact O-N 3.41Å
309S45.7Very low56.9Low112 Ų112124.6 Ų124.678%0.78369%0.69SS**  trans-58104.617548.60000108.4L307L307-S309 PolarHBondContact O-N 3.15Å; L307-S309 VanDerWaalsContact O-N 3.16Å
310C38.5Very low55.8Low115 Ų115123.4 Ų123.478%0.77769%0.685SS**  trans-52.2129.6-179.4-57.90000109E308 S312E308-C310 PolarHBondContact O-N 3.41Å; C310-S312 PolarHBondContact O-N 3.3Å
311P39.6Very low54.5Low121 Ų121128.9 Ų128.979%0.78672%0.715SS**  trans-60.1118.8175.124.9-32.6000107.8R313P311-R313 PolarHBondContact O-N 3.27Å
312S40.8Very low52.9Low118 Ų118130 Ų13083%0.82572%0.722SS**  trans-59.5100.2174.352.30000107.9C310 G314C310-S312 PolarHBondContact O-N 3.3Å; S312-G314 PolarHBondContact O-N 3.42Å; S312-G314 VanDerWaalsContact O-N 3.08Å
313R41.3Very low51Low232 Ų232133 Ų13388%0.87574%0.736SS**  trans-57.5118.4-172.4-162176.7-176.5-174.5-0.4108P311P311-R313 PolarHBondContact O-N 3.27Å
314G39.8Very low49Very low57 Ų57137.6 Ų137.659%0.58876%0.759SS**  trans-56.1145.6-174.600000111S312 D316S312-G314 PolarHBondContact O-N 3.42Å; S312-G314 VanDerWaalsContact O-N 3.08Å; G314-D316 VanDerWaalsContact C-N 3.35Å; G314-D316 PolarHBondContact O-N 3.26Å
315Q41.1Very low46.9Very low198 Ų198138.3 Ų138.393%0.92578%0.777SS**  trans-70.996.4167.8-74.1-176.7-40.500108.3K317Q315-K317 PolarHBondContact O-N 2.97Å; Q315-K317 VanDerWaalsContact O-N 3.07Å
316D39.6Very low45.1Very low148 Ų148144.2 Ų144.279%0.79181%0.805SS**  trans-57.2112.3164.7-73.7-53.9000108.3G314 P318G314-D316 VanDerWaalsContact C-N 3.35Å; G314-D316 PolarHBondContact O-N 3.26Å; D316-P318 WeakPolarHBondContact O-CD 3.29Å
317K40.8Very low43.7Very low190 Ų190144.6 Ų144.683%0.82682%0.821SS**  trans-82.6116-178.1-178.1-174.9173.7-170.80108.7Q315Q315-K317 PolarHBondContact O-N 2.97Å; Q315-K317 VanDerWaalsContact O-N 3.07Å
318P50.4Low42.5Very low112 Ų112144.4 Ų144.473%0.72783%0.825SS**  trans-64.6153.2170.429-34.1000110.5D316D316-P318 WeakPolarHBondContact O-CD 3.29Å
319S46.5Very low42.2Very low195 Ų195145.3 Ų145.3100%1.36484%0.843SS**  trans-65.50-178.3-55.60000113.2

Retrieved 319 of 319 residues in 1039.3 ms (Link to these results)