A0A087Y2B8_POEFO Loading...

Centrosomal protein 170Aa

AlphaFold DB , UniProt , Accession A0A087Y2B8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,120 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M48.5Very low38.6Very low217 Ų217153.2 Ų153.2100%1.06973%0.729SS**  0104.40-70.8139.46100105.6
2I39.5Very low38.2Very low166 Ų166155 Ų15585%0.85173%0.731SS**  trans-154.4100.4-166.6-60.7-176.4000102.9
3E35.3Very low38.2Very low129 Ų129156.6 Ų156.660%0.60373%0.726SS**  cis65.9116.623.1-117173.4-158.100109.9
4F28.7Very low38Very low166 Ų166157.5 Ų157.573%0.72872%0.72SS**  cis-147.4-17638.6-91.9-87.1000114.1
5Y38.4Very low37.7Very low192 Ų192153.5 Ų153.575%0.75372%0.717SS**  trans-22156.2143.9-89.5-119.6000115.4E7Y5-E7 HydrophobicContact CD1-CB 4.38Å
6D31.9Very low37.5Very low135 Ų135154.6 Ų154.672%0.72271%0.714SS**  -137.5136122.6-156.7-7.8000111.6E8D6-E8 VanDerWaalsContact OD1-CB 3.27Å; D6-E8 WeakPolarHBondContact OD1-CB 3.25Å; D6-E8 PolarHBondContact OD1-N 3.41Å
7E47.7Very low37.3Very low171 Ų171150.4 Ų150.480%0.79971%0.707SS**  trans-112.510.8173.7-135.9-174.4-161.500111.4Y5 N9Y5-E7 HydrophobicContact CD1-CB 4.38Å; E7-N9 PolarHBondContact O-N 2.94Å
8E32.1Very low37.1Very low137 Ų137152.7 Ų152.764%0.6471%0.714SS**  trans-77.693.2-175.3-82.8-98.270.500115D6D6-E8 VanDerWaalsContact OD1-CB 3.27Å; D6-E8 WeakPolarHBondContact OD1-CB 3.25Å; D6-E8 PolarHBondContact OD1-N 3.41Å
9N35.1Very low36.9Very low73 Ų73148.1 Ų148.139%0.3970%0.7SS.*  102.3108.6110.5-141.6-67000119E7 R11E7-N9 PolarHBondContact O-N 2.94Å; N9-R11 PolarHBondContact ND2-NH2 3.49Å; N9-R11 PolarHBondContact O-N 2.74Å; N9-R11 PolarHBondContact OD1-NE 3.05Å; N9-R11 PolarHBondContact OD1-NH2 3.09Å
10P51.3Low36.7Very low122 Ų122149.5 Ų149.579%0.79271%0.706SS**  trans-79.5107.9175.531.9-33.7000112.4
11R36.1Very low36.6Very low177 Ų177149.2 Ų149.267%0.66872%0.715SS**  trans-123.7115169.7-70.4177.4-153.8-179.114109.4N9N9-R11 PolarHBondContact ND2-NH2 3.49Å; N9-R11 PolarHBondContact O-N 2.74Å; N9-R11 PolarHBondContact OD1-NE 3.05Å; N9-R11 PolarHBondContact OD1-NH2 3.09Å
12K34.2Very low35.6Very low175 Ų175143 Ų14376%0.76170%0.698SS**  62.4126.284.9-69.8178.3-175.1168.90110.7
13R37.3Very low35.7Very low176 Ų176140.3 Ų140.366%0.66469%0.691SS**  cis-170.7155.35-127.6158.892.2-106.114.2108.8
14R35.8Very low35.7Very low169 Ų169141.7 Ų141.764%0.63870%0.702SS**  trans48.4118.5135.5-82.9-177.1-172.1-166.80.7117.4
15S32.7Very low35.9Very low97 Ų97141.4 Ų141.468%0.67871%0.707SS**  105.6-162.279.471.60000113.9
16Y34.6Very low35.6Very low172 Ų172135.8 Ų135.868%0.67571%0.708SS**  cis-141.5124.8-9.5-130.8-104.7000100.2
17S34.1Very low35.5Very low83 Ų83133.5 Ų133.558%0.5872%0.716SS**  115.9-171.962.2630000110.5
18F34.4Very low34.5Very low192 Ų192128.9 Ų128.984%0.84271%0.714SS**  trans85.1129.2149.8-133.2-101000116.3
19S32.7Very low34.4Very low65 Ų65129.3 Ų129.346%0.45573%0.726SS.*  cis-159.8147-19.1-100.50000107.4
20Q33.7Very low34.2Very low175 Ų175129.8 Ų129.882%0.81875%0.748SS**  64.395.659.9-168-16951.900114.1
21T34.1Very low33.2Very low144 Ų144127.3 Ų127.388%0.88374%0.744SS**  trans-138.4123.7144.335.10000109
22A28.3Very low32.8Very low86 Ų86128.9 Ų128.971%0.71176%0.759SS**  trans-92.1168.7153.600000107.5
23P42Very low32.7Very low110 Ų110123.6 Ų123.671%0.71476%0.755SS**  -15216283.339.5-20.8000116.7
24L33.7Very low32.3Very low159 Ų159123 Ų12383%0.83276%0.764SS**  trans42.7147.8131-57.3174.1000121.8
25L32.9Very low31.9Very low160 Ų160118.3 Ų118.384%0.83876%0.756SS**  cis-171.6148.3-15.3178.666.1000110
26G33.5Very low32Very low74 Ų74116.9 Ų116.976%0.76374%0.744SS**  trans98.9131155.300000115.6
27G28.7Very low31.5Very low86 Ų86115.3 Ų115.389%0.88774%0.743SS**  cis159.7153.6-5.400000110.2
28G26.8Very low32Very low74 Ų74116.5 Ų116.576%0.76375%0.749SS**  cis-146.5-150.3-10.100000108.4
29V30.1Very low31.9Very low147 Ų147110.4 Ų110.489%0.89173%0.729SS**  cis-153.4131.33.6172.70000108.2
30G30.8Very low31.7Very low82 Ų82111.7 Ų111.785%0.84574%0.737SS**  trans70.5139.216200000117.9
31G29.6Very low31.7Very low70 Ų70108 Ų10872%0.72272%0.72SS**  cis177.2160.2-6.100000112.7
32E29.1Very low31.6Very low210 Ų210104.7 Ų104.798%0.98170%0.701SS**  trans64.4170.8170.8-53.1-158.5134.900118.5
33G31.1Very low31.6Very low65 Ų65107.3 Ų107.367%0.6770%0.697SS**  trans-179.5-149.5-173.700000111
34L29.7Very low30.9Very low164 Ų164108.3 Ų108.386%0.85970%0.7SS**  trans76.6169.2-180-59.2175.2000117.3P36L34-P36 VanDerWaalsContact O-CD 3.3Å; L34-P36 WeakPolarHBondContact O-CD 3.3Å
35C26.5Very low30.9Very low70 Ų70109.9 Ų109.947%0.47370%0.701SS.*  trans-92.2110.9-158.6-57.50000115.2Q37 A490 R491C35-Q37 PolarHBondContact O-N 2.6Å; C35-Q37 VanDerWaalsContact O-N 3.12Å; C35-A490 WeakPolarHBondContact O-CB 3.36Å; C35-R491 WeakPolarHBondContact CA-O 3.32Å; C35-R491 WeakPolarHBondContact CB-O 3.35Å; C35-R491 PolarHBondContact SG-O 3.32Å
36P35Very low30.5Very low66 Ų66107.3 Ų107.343%0.42970%0.696SS.*  trans-78.929-177.62.9-2000118.9L34 P38 G488 S489 A490L34-P36 VanDerWaalsContact O-CD 3.3Å; L34-P36 WeakPolarHBondContact O-CD 3.3Å; P36-P38 VanDerWaalsContact O-CA 3.27Å; P36-P38 WeakPolarHBondContact O-CA 2.99Å; P36-G488 CarbonylContact O-C 3.52Å; P36-S489 WeakPolarHBondContact CB-O 3.45Å; P36-S489 WeakPolarHBondContact CG-O 3.18Å; P36-S489 CarbonylContact O-C 3.49Å; P36-S489 WeakPolarHBondContact O-CA 3.22Å; P36-S489 PolarHBondContact O-N 3.35Å; P36-A490 VanDerWaalsContact C-C 3.43Å; P36-A490 CarbonylContact C-O 3.47Å; P36-A490 HydrophobicContact CB-CB 2.28Å; P36-A490 HydrophobicContact CG-CB 2.29Å; P36-A490 WeakPolarHBondContact O-CA 3.25Å; P36-A490 PolarHBondContact O-N 3.3Å
37Q24.8Very low30.2Very low140 Ų140110.8 Ų110.865%0.65470%0.696SS**  trans-101.7105.9-146-156176.7-100.700116.4C35 A490C35-Q37 PolarHBondContact O-N 2.6Å; C35-Q37 VanDerWaalsContact O-N 3.12Å; Q37-A490 VanDerWaalsContact CA-O 3.28Å; Q37-A490 WeakPolarHBondContact CA-O 3.28Å; Q37-A490 WeakPolarHBondContact CB-O 3.23Å; Q37-A490 WeakPolarHBondContact CG-O 3.44Å; Q37-A490 PolarHBondContact N-O 3.28Å
38P45.3Very low30.6Very low108 Ų108112.7 Ų112.770%0.70170%0.695SS**  cis-108.7-168.9-24.842.4-30.4000111.4P36P36-P38 VanDerWaalsContact O-CA 3.27Å; P36-P38 WeakPolarHBondContact O-CA 2.99Å
39P32.3Very low30.5Very low64 Ų64115.1 Ų115.142%0.41670%0.696SS.*  trans-143.5173.9131.741.6-30000114.7N487 G488P39-N487 WeakPolarHBondContact CG-O 3.45Å; P39-G488 WeakPolarHBondContact CD-O 3.36Å
40S27Very low30.4Very low91 Ų91113.8 Ų113.864%0.63669%0.692SS**  trans-110.2149.2-173.354.10000114
41H35.3Very low30.2Very low98 Ų98114.4 Ų114.445%0.45469%0.69SS.*  trans62.6132.5165.9-62.5-48.7000119.2K43 G486H41-K43 HydrophobicContact CB-CB 4.34Å; H41-K43 HydrophobicContact CB-CD 4.4Å; H41-K43 VanDerWaalsContact CE1-CE 3.48Å; H41-K43 WeakPolarHBondContact CE1-CE 3.39Å; H41-K43 PolarHBondContact CE1-NZ 2.63Å; H41-K43 PolarHBondContact NE2-NZ 2.74Å; H41-G486 PolarHBondContact O-N 2.84Å
42P30.7Very low30.1Very low75 Ų75115.4 Ų115.449%0.48769%0.691SS.*  -8317468.5-3040.8000118.2N487P42-N487 WeakPolarHBondContact CD-OD1 3.44Å
43K28.8Very low29.9Very low141 Ų141110.8 Ų110.861%0.61368%0.682SS**  cis58.3122.4-36.7-60.6171.1-177.21630118.5H41H41-K43 HydrophobicContact CB-CB 4.34Å; H41-K43 HydrophobicContact CB-CD 4.4Å; H41-K43 VanDerWaalsContact CE1-CE 3.48Å; H41-K43 WeakPolarHBondContact CE1-CE 3.39Å; H41-K43 PolarHBondContact CE1-NZ 2.63Å; H41-K43 PolarHBondContact NE2-NZ 2.74Å
44V27.3Very low29.8Very low131 Ų131112.6 Ų112.679%0.79469%0.691SS**  cis-146.916328.9-176.80000111.4
45F33Very low29.8Very low192 Ų192109.1 Ų109.184%0.84269%0.685SS**  trans-43.5155161-64.6-106.2000114.6
46S25.6Very low29.9Very low105 Ų105113.2 Ų113.273%0.73470%0.703SS**  160131.7112.1-70.80000111.9
47I27.5Very low29.7Very low148 Ų148114.8 Ų114.876%0.75972%0.715SS**  -170.313599.941.1-178.7000110.8
48S35.3Very low29.9Very low126 Ų126111.3 Ų111.388%0.88172%0.717SS**  trans-92127.4157.5-60.50000108.2
49T26.5Very low29.2Very low125 Ų125116 Ų11677%0.76773%0.727SS**  trans-135.6104.7167.941.10000110.5
50S28Very low29.3Very low118 Ų118117.2 Ų117.283%0.82574%0.741SS**  trans-90.2133.9165.153.70000110.1
51A26.3Very low29.7Very low95 Ų95118.9 Ų118.979%0.78575%0.75SS**  trans170.9148.1133.600000112.7
52A26.2Very low29.6Very low91 Ų91118.6 Ų118.675%0.75277%0.765SS**  trans65.1156.1144.100000120.3
53S26.6Very low30.1Very low114 Ų114120.7 Ų120.780%0.79778%0.778SS**  cis-170.9122.8-31.353.50000110.5
54A28.6Very low30.2Very low103 Ų103121.6 Ų121.685%0.85179%0.788SS**  trans-172.2148.715200000108
55A29.9Very low31.1Very low90 Ų90120.8 Ų120.874%0.74479%0.786SS**  cis155.3147.3-22.900000105.2
56D28.3Very low30.9Very low156 Ų156115.9 Ų115.983%0.83478%0.781SS**  trans66.1142.8174.2-115.953.4000117.4
57S30.1Very low31.2Very low99 Ų99116.9 Ų116.969%0.69278%0.783SS**  cis-163.4175.6-26.347.20000110.2
58G28.9Very low31.3Very low67 Ų67115.7 Ų115.769%0.69178%0.782SS**  trans109.284.1144.900000119.4
59K30.7Very low31Very low208 Ų208115.2 Ų115.290%0.90477%0.774SS**  trans56.6119.8134.2-126.789.1173.1-170.10120.4
60A35.1Very low31.1Very low88 Ų88116 Ų11673%0.72778%0.778SS**  trans-77.5163.2149.400000110.4
61P34.7Very low31Very low126 Ų126113.9 Ų113.982%0.81878%0.775SS**  -149.7176.883.141-23.8000115.9
62A34.4Very low31.2Very low93 Ų93114 Ų11477%0.76978%0.776SS**  trans-105.6144.4154.800000108.9
63P41.2Very low32.2Very low118 Ų118114.8 Ų114.877%0.76677%0.774SS**  -153.6162.8101.935.2-14.5000118.5
64I29.9Very low32.3Very low160 Ų160115.9 Ų115.982%0.82178%0.776SS**  trans-23.3178.4153.828.8171.3000120.5
65P46.7Very low32.5Very low114 Ų114115.4 Ų115.474%0.7477%0.772SS**  cis-141.9-168.8-8.530.2-5.2000117.8
66A29.3Very low32.7Very low89 Ų89115.3 Ų115.374%0.73677%0.771SS**  trans88.8150.6152.200000119
67T30.4Very low33.1Very low126 Ų126119 Ų11977%0.77377%0.773SS**  cis-153.7168.122.1-33.60000113.2
68V29.8Very low33.3Very low124 Ų124120.4 Ų120.475%0.75278%0.777SS**  trans75.5131.5162.2174.40000117.6
69T29.2Very low33.6Very low115 Ų115124.6 Ų124.671%0.70678%0.783SS**  cis-157.8140-15.225.60000113.1
70V29.8Very low33.6Very low141 Ų141121.1 Ų121.186%0.85577%0.774SS**  trans34.6120.4130.8-174.30000122.3
71G24.8Very low33.5Very low75 Ų75125.4 Ų125.477%0.77378%0.776SS**  83.3132.8116.200000122.5
72A30.5Very low33.4Very low96 Ų96127.5 Ų127.579%0.79378%0.775SS**  trans-95.7-177.6163.300000110.6
73P48.1Very low33.1Very low109 Ų109131.6 Ų131.671%0.70877%0.771SS**  -158.8-166.360.442.3-18.5000118.1
74T29.1Very low32.7Very low136 Ų136129.4 Ų129.483%0.83476%0.758SS**  trans70.1146.215932.30000118.7
75A32.5Very low32.5Very low93 Ų93128.3 Ų128.377%0.76975%0.749SS**  cis-163.1167.93.400000108.4
76A34.1Very low31.6Very low89 Ų89128.8 Ų128.874%0.73675%0.745SS**  cis-168.9-169.9-16.100000106.2
77R36.1Very low31.6Very low233 Ų233132.3 Ų132.388%0.87975%0.747SS**  cis-151.214416.4-57.9171.9179.3169.6-0.8112
78V33.3Very low31.4Very low128 Ų128131.5 Ų131.578%0.77675%0.747SS**  trans25.6110.5139.7-170.70000120.4
79L35.4Very low31.3Very low155 Ų155133.6 Ų133.681%0.81275%0.752SS**  171.2155.4127.1-85.6176.2000108.3
80L32.3Very low31.1Very low136 Ų136132 Ų13271%0.71276%0.758SS**  cis-162.1142.9-38.9-167.766.3000111.5
81K31.8Very low31.1Very low178 Ų178136.3 Ų136.377%0.77476%0.759SS**  trans64.7133.7161.1-123.687.2176.9-1710121.6
82Q32.4Very low31.1Very low169 Ų169138.7 Ų138.779%0.7976%0.764SS**  trans-101.6-174.5153.6-30.289.2-67.200108.8
83R29.1Very low31Very low180 Ų180140.1 Ų140.168%0.67977%0.768SS**  cis-159.8170.64.1-123.9-145.5136.9-131.80.8103.6E85R83-E85 IonicContact CZ-OE1 2.73Å; R83-E85 IonicContact CZ-OE2 2.61Å; R83-E85 IonicContact NH1-OE1 2.72Å; R83-E85 PolarHBondContact NH1-OE1 3.2Å; R83-E85 IonicContact NH1-OE2 3.51Å; R83-E85 VanDerWaalsContact NH2-CD 3.33Å; R83-E85 IonicContact NH2-OE1 2.61Å; R83-E85 PolarHBondContact NH2-OE1 3.19Å; R83-E85 VanDerWaalsContact NH2-OE1 3.15Å; R83-E85 IonicContact NH2-OE2 3.94Å; R83-E85 PolarHBondContact NH2-OE2 3.47Å
84S31.6Very low30Very low71 Ų71140 Ų14050%0.49778%0.776SS.*  cis175.5167.1-6.644.20000110.7
85E26.9Very low29.8Very low137 Ų137138.9 Ų138.964%0.6477%0.774SS**  trans72.4146.6147.9-124.5112.98100119.3R83R83-E85 IonicContact CZ-OE1 2.73Å; R83-E85 IonicContact CZ-OE2 2.61Å; R83-E85 IonicContact NH1-OE1 2.72Å; R83-E85 PolarHBondContact NH1-OE1 3.2Å; R83-E85 IonicContact NH1-OE2 3.51Å; R83-E85 VanDerWaalsContact NH2-CD 3.33Å; R83-E85 IonicContact NH2-OE1 2.61Å; R83-E85 PolarHBondContact NH2-OE1 3.19Å; R83-E85 VanDerWaalsContact NH2-OE1 3.15Å; R83-E85 IonicContact NH2-OE2 3.94Å; R83-E85 PolarHBondContact NH2-OE2 3.47Å
86D26.3Very low29.6Very low124 Ų124141.4 Ų141.466%0.66378%0.78SS**  trans60.7116.5156.7-81.3-29.2000125.5
87Q29.2Very low29.4Very low163 Ų163140.4 Ų140.476%0.76278%0.778SS**  57.8145122.1-69.5-18069.800124.8
88S26.3Very low29.2Very low110 Ų110137.5 Ų137.577%0.76978%0.779SS**  trans88.3102.3151.272.20000121.2
89I28.8Very low29Very low168 Ų168135.8 Ų135.886%0.86278%0.778SS**  trans18.4125.4130-52.4168.3000117.8
90G25.6Very low28.8Very low81 Ų81134.2 Ų134.284%0.83578%0.775SS**  trans-155129.4162.800000112.1
91R27.9Very low28.5Very low231 Ų231131.2 Ų131.287%0.87278%0.778SS**  trans-96149.7-175.1-64.1151.463.4-172.32.9111.4
92S25.7Very low28.3Very low126 Ų126127.5 Ų127.588%0.88177%0.774SS**  170.6150.2113.6-76.20000113.8
93S27.5Very low28.3Very low126 Ų126124.8 Ų124.888%0.88177%0.771SS**  trans-90.9152175.3-39.50000111.9
94A27.5Very low28.5Very low105 Ų105122.4 Ų122.487%0.86878%0.777SS**  trans-147.4130.4155.600000109.5
95S26.3Very low28.7Very low113 Ų113125.4 Ų125.479%0.7979%0.792SS**  trans-94.6153.6-178.258.50000112.7
96T27.8Very low29.6Very low146 Ų146124.4 Ų124.490%0.89680%0.798SS**  trans-162.1150.1150.919.60000111.6
97G29.9Very low29.9Very low69 Ų69123 Ų12371%0.71180%0.798SS**  trans48.697.8156.700000118.5
98L31Very low30.1Very low171 Ų171123.1 Ų123.190%0.89580%0.798SS**  49.4105.864.7-66.7172.3000115.9
99A30.5Very low30.4Very low92 Ų92124.7 Ų124.776%0.7680%0.798SS**  trans51.6148.2131.800000120.3
100T29.7Very low30.7Very low122 Ų122123 Ų12375%0.74880%0.796SS**  cis-144.2159.527.245.60000113
101G26.7Very low30.8Very low74 Ų74123.8 Ų123.876%0.76379%0.789SS**  trans-80.6128.5147.400000108.8
102S26.8Very low31Very low99 Ų99119.1 Ų119.169%0.69279%0.785SS**  trans-63.9154.9-166.7-45.30000114.4
103P32.2Very low31.3Very low113 Ų113121.4 Ų121.473%0.73479%0.787SS**SBend-104.2145.7111.629.4-34.8000111.8
104T35Very low31.4Very low130 Ų130118.7 Ų118.780%0.79878%0.779SS**SBendtrans66.9151.8172.456.20000118.7
105T34.4Very low31.5Very low133 Ų133124.1 Ų124.182%0.81678%0.783SS**  trans-92.6174.9-178.9480000111.4
106P46.5Very low31.6Very low116 Ų116122.5 Ų122.575%0.75378%0.784SS**  cis-140.8-179.613.843-23.8000118.8
107S31.8Very low31.8Very low95 Ų95120.7 Ų120.766%0.66478%0.784SS**  trans77.8130.1150.2-83.90000125.6
108E33.8Very low31.8Very low166 Ų166120.7 Ų120.778%0.77678%0.784SS**  trans79.493.7135.2-71.4150.6-116.300124.3
109D32.3Very low32Very low142 Ų142119.6 Ų119.676%0.75979%0.785SS**  58.6127.2121.2-70.73000126.9
110T34.8Very low32.1Very low134 Ų134120.2 Ų120.282%0.82279%0.79SS**  trans70.2153.614860.90000120.9
111S29.5Very low32.2Very low97 Ų97118.4 Ų118.468%0.67880%0.796SS**  cis-171.6142.2-21.556.80000114.7
112V30.8Very low32.7Very low132 Ų132118.5 Ų118.580%0.880%0.797SS**  trans72.5121.4135.9172.60000124
113L32.1Very low33.1Very low174 Ų174121.8 Ų121.891%0.91181%0.806SS**  trans77141.1143.8-166.369.3000122.9
114G29.1Very low34.1Very low70 Ų70122.3 Ų122.372%0.72281%0.807SS**  trans-164.8-36.5173.900000128.5
115K31.2Very low34.1Very low218 Ų218123.3 Ų123.395%0.94881%0.807SS**  trans56.2113.4161.3-169.8-177.6-178.3-179.30124
116G28.6Very low35.1Very low79 Ų79123 Ų12381%0.81480%0.801SS**  trans96.1166.9146.500000120
117A31.9Very low35.3Very low108 Ų108124 Ų12489%0.89380%0.8SS**  cis-172.1146.4-21.500000114.1
118G30.1Very low36.3Very low70 Ų70127.8 Ų127.872%0.72281%0.807SS**  trans84.2165163.400000119
119T33.3Very low36.7Very low148 Ų148125.6 Ų125.691%0.90881%0.81SS**  cis-171.6157.1-20.43.40000112.9
120A34.3Very low37.7Very low104 Ų104126.1 Ų126.186%0.8681%0.813SS**  trans84.8137.9152.500000124
121G31.3Very low38.2Very low85 Ų85129.9 Ų129.988%0.87682%0.818SS**  trans84148.3158.300000118.1
122G36.3Very low38.8Very low76 Ų76128.2 Ų128.278%0.78482%0.816SS**  cis164.3158.8-7.800000113
123D35.9Very low39.3Very low168 Ų168128.3 Ų128.390%0.89882%0.817SS**  trans77.1162.6170.6-138.3-5.1000120
124V53.3Low39.6Very low124 Ų124130.5 Ų130.575%0.75282%0.815SS**  trans-129141-167.3176.20000111.1
125D35.8Very low40.3Very low150 Ų150132.9 Ų132.980%0.80282%0.815SS**  trans-148.3135.2161.8-129.1-32000110.4
126D55.1Low41.1Very low127 Ų127129.2 Ų129.268%0.67981%0.805SS**  trans-113.3117.2-177.7-173.712.8000109.8
127N50.6Low42.1Very low137 Ų137133.7 Ų133.773%0.73380%0.804SS**  trans-147.497.2-175.1-93.8-83.5000111.4
128H52.5Low43.2Very low174 Ų174136.4 Ų136.481%0.80680%0.803SS**  trans-70128.2167.8-70-71.7000111.9
129S41.8Very low44.3Very low120 Ų120141.4 Ų141.484%0.83981%0.808SS**  trans-162.9133151.1-87.50000112.5K131S129-K131 PolarHBondContact O-N 3.16Å
130D53.9Low45.2Very low154 Ų154141.5 Ų141.582%0.82480%0.803SS**  trans-65.9126.9174.1-55.8-85.8000112.5
131K45.3Very low46.4Very low212 Ų212144 Ų14492%0.92279%0.794SS**  trans170.7108.5139.6-91.9145.3-163.5162.60110.7S129S129-K131 PolarHBondContact O-N 3.16Å
132G41.3Very low48.2Very low62 Ų62143.1 Ų143.164%0.63977%0.769SS**  trans173.4111.8170.900000113.1Y134G132-Y134 PolarHBondContact O-N 2.89Å
133T41.1Very low49.9Very low135 Ų135144 Ų14483%0.82876%0.761SS**  trans-52.3115.1173.9-550000111.7T135T133-T135 PolarHBondContact O-N 3.01Å
134Y38.3Very low51.7Low220 Ų220142.4 Ų142.486%0.86375%0.748SS**  trans-70.797169.7-71.4-81.2000110.5G132 I136G132-Y134 PolarHBondContact O-N 2.89Å; Y134-I136 PolarHBondContact O-N 3.42Å
135T44.8Very low52.9Low120 Ų120140.9 Ų140.974%0.73673%0.733SS**  trans-70.1108159.738.20000108.9T133 E137T133-T135 PolarHBondContact O-N 3.01Å; T135-E137 PolarHBondContact O-N 3.48Å
136I48Very low54.9Low141 Ų141137.4 Ų137.472%0.72371%0.712SS**  trans-76.5109.7173.5-57.9173.7000108Y134 L138Y134-I136 PolarHBondContact O-N 3.42Å; I136-L138 PolarHBondContact O-N 3.48Å
137E48.6Very low56.1Low173 Ų173136.1 Ų136.181%0.80870%0.702SS**  trans-72.5110.5172.3-66.3-177.7156.500109.1T135 E139T135-E137 PolarHBondContact O-N 3.48Å; E137-E139 PolarHBondContact O-N 3.06Å
138L56.8Low57.4Low164 Ų164131.4 Ų131.486%0.85968%0.682SS**  trans-78.330.2-179.9-78.5164.2000113I136 N140I136-L138 PolarHBondContact O-N 3.48Å; L138-N140 VanDerWaalsContact C-N 3.25Å; L138-N140 PolarHBondContact O-N 3.46Å
139E52Low59.1Low176 Ų176129.3 Ų129.382%0.82267%0.667SS**  trans-89.461.2172.6-165.1166.5-160.500111.2E137E137-E139 PolarHBondContact O-N 3.06Å
140N52Low61.1Low150 Ų150129.5 Ų129.580%0.80265%0.649SS**  trans-150.6104.8155.7-99.6-55.3000108L138 N142L138-N140 VanDerWaalsContact C-N 3.25Å; L138-N140 PolarHBondContact O-N 3.46Å; N140-N142 PolarHBondContact O-N 2.92Å
141K60Low62.6Low155 Ų155127.8 Ų127.867%0.67464%0.638SS**  trans-66.397.8166.5-80.7-175.1159.2-1350108.1P143 E146K141-P143 VanDerWaalsContact O-CD 3.26Å; K141-P143 WeakPolarHBondContact O-CD 3.37Å; K141-E146 VanDerWaalsContact NZ-CD 3.27Å; K141-E146 IonicContact NZ-OE1 3.41Å; K141-E146 PolarHBondContact NZ-OE1 2.97Å; K141-E146 IonicContact NZ-OE2 3.49Å; K141-E146 PolarHBondContact NZ-OE2 3.05Å
142N69.3Low64.4Low68 Ų68122 Ų12236%0.36462%0.616SS.*  trans-63.5117170.7-178.58.9000108.2N140 E144 E145 E146N140-N142 PolarHBondContact O-N 2.92Å; N142-E144 PolarHBondContact ND2-OE2 2.83Å; N142-E144 PolarHBondContact O-N 3.06Å; N142-E144 WeakPolarHBondContact OD1-CB 3.22Å; N142-E144 PolarHBondContact OD1-N 2.86Å; N142-E145 HydrophobicContact CB-CB 3.96Å; N142-E145 PolarHBondContact O-N 3.01Å; N142-E146 PolarHBondContact O-N 3.26Å
143P72.7Confident66.7Low95 Ų95122.2 Ų122.262%0.61760%0.603SS**Hα-helixtrans-61.2-27.8-18024.9-35.1000112.3K141 E147K141-P143 VanDerWaalsContact O-CD 3.26Å; K141-P143 WeakPolarHBondContact O-CD 3.37Å; P143-E147 VanDerWaalsContact O-CB 3.29Å; P143-E147 WeakPolarHBondContact O-CB 3.23Å; P143-E147 PolarHBondContact O-N 2.94Å
144E73.3Confident68.8Low134 Ų134122.4 Ų122.463%0.62659%0.592SS**Hα-helixtrans-70.1-32.7172.7173.9-168-134.300112.3N142 E147 A148N142-E144 PolarHBondContact ND2-OE2 2.83Å; N142-E144 PolarHBondContact O-N 3.06Å; N142-E144 WeakPolarHBondContact OD1-CB 3.22Å; N142-E144 PolarHBondContact OD1-N 2.86Å; E144-E147 WeakPolarHBondContact O-CB 3.23Å; E144-E147 PolarHBondContact O-N 2.71Å; E144-A148 WeakPolarHBondContact O-CB 3.34Å; E144-A148 PolarHBondContact O-N 2.64Å
145E78.8Confident70.6Confident92 Ų92117.6 Ų117.643%0.4359%0.585SS.*Hα-helixtrans-74.3-40.2173.3-162.6-161161.600110.8N142 E147 A148 R149N142-E145 HydrophobicContact CB-CB 3.96Å; N142-E145 PolarHBondContact O-N 3.01Å; E145-E147 PolarHBondContact O-N 3.35Å; E145-A148 PolarHBondContact O-N 3.2Å; E145-R149 WeakPolarHBondContact O-CB 3.41Å; E145-R149 VanDerWaalsContact O-CG 3.24Å; E145-R149 WeakPolarHBondContact O-CG 3.48Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 2.73Å; E145-R149 VanDerWaalsContact OE1-CZ 3.27Å; E145-R149 IonicContact OE1-NE 3.15Å; E145-R149 PolarHBondContact OE1-NE 2.99Å; E145-R149 VanDerWaalsContact OE1-NE 3.12Å; E145-R149 IonicContact OE1-NH2 2.78Å; E145-R149 PolarHBondContact OE1-NH2 3.1Å; E145-R149 IonicContact OE2-NH2 2.67Å
146E77.4Confident71.7Confident77 Ų77119.4 Ų119.436%0.3658%0.583SS.*Hα-helixtrans-68.4-22.1173.7-155.6150.1-119.400111.3K141 N142 R150K141-E146 VanDerWaalsContact NZ-CD 3.27Å; K141-E146 IonicContact NZ-OE1 3.41Å; K141-E146 PolarHBondContact NZ-OE1 2.97Å; K141-E146 IonicContact NZ-OE2 3.49Å; K141-E146 PolarHBondContact NZ-OE2 3.05Å; N142-E146 PolarHBondContact O-N 3.26Å; E146-R150 VanDerWaalsContact O-CG 3.29Å; E146-R150 WeakPolarHBondContact O-CG 3.49Å; E146-R150 PolarHBondContact O-N 3.11Å; E146-R150 PolarHBondContact O-NH1 2.96Å
147E79.3Confident72.7Confident100 Ų100115.6 Ų115.647%0.46758%0.578SS.*Hα-helixtrans-75.9-46.4166.9-176.6128.5-116.400113.1P143 E144 E145 R149 R150 M151P143-E147 VanDerWaalsContact O-CB 3.29Å; P143-E147 WeakPolarHBondContact O-CB 3.23Å; P143-E147 PolarHBondContact O-N 2.94Å; E144-E147 WeakPolarHBondContact O-CB 3.23Å; E144-E147 PolarHBondContact O-N 2.71Å; E145-E147 PolarHBondContact O-N 3.35Å; E147-R149 VanDerWaalsContact C-N 3.26Å; E147-R149 PolarHBondContact O-N 2.68Å; E147-R150 VanDerWaalsContact CA-CZ 3.45Å; E147-R150 VanDerWaalsContact CB-NH2 3.29Å; E147-R150 CarbonylContact O-C 3.55Å; E147-R150 WeakPolarHBondContact O-CA 3.43Å; E147-R150 WeakPolarHBondContact O-CB 3.38Å; E147-R150 PolarHBondContact O-N 2.79Å; E147-R150 VanDerWaalsContact O-N 3.08Å; E147-R150 IonicContact OE1-CZ 3.12Å; E147-R150 IonicContact OE1-NH2 3.04Å; E147-R150 PolarHBondContact OE1-NH2 2.86Å; E147-R150 IonicContact OE2-NH2 3.14Å; E147-M151 WeakPolarHBondContact O-CG 3.29Å; E147-M151 PolarHBondContact O-N 2.68Å
148A78.9Confident73.2Confident38 Ų38111 Ų11131%0.31456%0.562SS.*Hα-helixtrans-57.7-41.7174.700000110.8E144 E145 M151 I152E144-A148 WeakPolarHBondContact O-CB 3.34Å; E144-A148 PolarHBondContact O-N 2.64Å; E145-A148 PolarHBondContact O-N 3.2Å; A148-M151 PolarHBondContact O-N 3.39Å; A148-I152 WeakPolarHBondContact O-CB 3.41Å; A148-I152 WeakPolarHBondContact O-CD1 3.33Å; A148-I152 VanDerWaalsContact O-CG1 3.23Å; A148-I152 WeakPolarHBondContact O-CG1 3.21Å; A148-I152 PolarHBondContact O-N 3.09Å
149R87.9Confident72.7Confident129 Ų129108.7 Ų108.749%0.48755%0.547SS..Hα-helixtrans-60.6-48.3171.6-68.6169.9-173-164.15.5111.7E145 E147 M151 I152 D153E145-R149 WeakPolarHBondContact O-CB 3.41Å; E145-R149 VanDerWaalsContact O-CG 3.24Å; E145-R149 WeakPolarHBondContact O-CG 3.48Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 2.73Å; E145-R149 VanDerWaalsContact OE1-CZ 3.27Å; E145-R149 IonicContact OE1-NE 3.15Å; E145-R149 PolarHBondContact OE1-NE 2.99Å; E145-R149 VanDerWaalsContact OE1-NE 3.12Å; E145-R149 IonicContact OE1-NH2 2.78Å; E145-R149 PolarHBondContact OE1-NH2 3.1Å; E145-R149 IonicContact OE2-NH2 2.67Å; E147-R149 VanDerWaalsContact C-N 3.26Å; E147-R149 PolarHBondContact O-N 2.68Å; R149-M151 VanDerWaalsContact C-N 3.28Å; R149-M151 PolarHBondContact O-N 2.77Å; R149-I152 WeakPolarHBondContact O-CB 3.34Å; R149-I152 PolarHBondContact O-N 2.98Å; R149-I152 VanDerWaalsContact O-N 3.16Å; R149-D153 PolarHBondContact O-N 3.44Å
150R84.2Confident72.4Confident125 Ų125107 Ų10747%0.47254%0.539SS..Hα-helixtrans-58.2-35.8173.2-74.1-175.6-43.4-9311.1113.3E146 E147 K154E146-R150 VanDerWaalsContact O-CG 3.29Å; E146-R150 WeakPolarHBondContact O-CG 3.49Å; E146-R150 PolarHBondContact O-N 3.11Å; E146-R150 PolarHBondContact O-NH1 2.96Å; E147-R150 VanDerWaalsContact CA-CZ 3.45Å; E147-R150 VanDerWaalsContact CB-NH2 3.29Å; E147-R150 CarbonylContact O-C 3.55Å; E147-R150 WeakPolarHBondContact O-CA 3.43Å; E147-R150 WeakPolarHBondContact O-CB 3.38Å; E147-R150 PolarHBondContact O-N 2.79Å; E147-R150 VanDerWaalsContact O-N 3.08Å; E147-R150 IonicContact OE1-CZ 3.12Å; E147-R150 IonicContact OE1-NH2 3.04Å; E147-R150 PolarHBondContact OE1-NH2 2.86Å; E147-R150 IonicContact OE2-NH2 3.14Å; R150-K154 VanDerWaalsContact O-CB 3.28Å; R150-K154 WeakPolarHBondContact O-CB 3.28Å; R150-K154 PolarHBondContact O-N 3.47Å
151M85.4Confident72.1Confident117 Ų117105.9 Ų105.958%0.57653%0.533SS*.Hα-helixtrans-72.9-38.9176.2-70.7-158.3-65.400112E147 A148 R149 K154 V155E147-M151 WeakPolarHBondContact O-CG 3.29Å; E147-M151 PolarHBondContact O-N 2.68Å; A148-M151 PolarHBondContact O-N 3.39Å; R149-M151 VanDerWaalsContact C-N 3.28Å; R149-M151 PolarHBondContact O-N 2.77Å; M151-K154 WeakPolarHBondContact O-CB 3.41Å; M151-K154 PolarHBondContact O-N 3.04Å; M151-V155 WeakPolarHBondContact O-CB 3.32Å; M151-V155 VanDerWaalsContact O-CG2 3.3Å; M151-V155 WeakPolarHBondContact O-CG2 3.44Å; M151-V155 PolarHBondContact O-N 3.11Å
152I83.3Confident71.2Confident91 Ų91103.7 Ų103.747%0.46753%0.533SS..Hα-helixtrans-60-51.9171.6-71.1162.6000109.4A148 R149 K154 V155 F156A148-I152 WeakPolarHBondContact O-CB 3.41Å; A148-I152 WeakPolarHBondContact O-CD1 3.33Å; A148-I152 VanDerWaalsContact O-CG1 3.23Å; A148-I152 WeakPolarHBondContact O-CG1 3.21Å; A148-I152 PolarHBondContact O-N 3.09Å; R149-I152 WeakPolarHBondContact O-CB 3.34Å; R149-I152 PolarHBondContact O-N 2.98Å; R149-I152 VanDerWaalsContact O-N 3.16Å; I152-K154 PolarHBondContact O-N 2.98Å; I152-V155 PolarHBondContact O-N 3.17Å; I152-V155 VanDerWaalsContact O-N 3.08Å; I152-F156 HydrophobicContact CG2-CD2 3.78Å; I152-F156 HydrophobicContact CG2-CE2 4.2Å; I152-F156 WeakPolarHBondContact O-CD2 3.15Å; I152-F156 PolarHBondContact O-N 3.39Å
153D88.6Confident69.6Low67 Ų67106 Ų10636%0.35855%0.554SS.*Hα-helixtrans-60.2-34.1177.3-64.4-28.9000112.1R149 G157 V158R149-D153 PolarHBondContact O-N 3.44Å; D153-G157 CarbonylContact O-C 3.03Å; D153-G157 WeakPolarHBondContact O-CA 3.46Å; D153-G157 PolarHBondContact O-N 2.99Å; D153-V158 HydrophobicContact CB-CB 4.31Å; D153-V158 PolarHBondContact O-N 2.92Å
154K85.1Confident67.8Low139 Ų139105.7 Ų105.760%0.60455%0.554SS**Hα-helixtrans-67.2-41.6174-168.267.966.7-167.10112.7R150 M151 I152R150-K154 VanDerWaalsContact O-CB 3.28Å; R150-K154 WeakPolarHBondContact O-CB 3.28Å; R150-K154 PolarHBondContact O-N 3.47Å; M151-K154 WeakPolarHBondContact O-CB 3.41Å; M151-K154 PolarHBondContact O-N 3.04Å; I152-K154 PolarHBondContact O-N 2.98Å
155V77.4Confident66.2Low119 Ų119106.9 Ų106.972%0.72156%0.564SS**Hα-helixtrans-75.8-37.1-178.9168.80000111.9M151 I152M151-V155 WeakPolarHBondContact O-CB 3.32Å; M151-V155 VanDerWaalsContact O-CG2 3.3Å; M151-V155 WeakPolarHBondContact O-CG2 3.44Å; M151-V155 PolarHBondContact O-N 3.11Å; I152-V155 PolarHBondContact O-N 3.17Å; I152-V155 VanDerWaalsContact O-N 3.08Å
156F67.6Low64.3Low158 Ų158108.7 Ų108.769%0.69358%0.581SS**Hα-helixtrans-90.40.5178-71.2-79.6000113.9I152 V158I152-F156 HydrophobicContact CG2-CD2 3.78Å; I152-F156 HydrophobicContact CG2-CE2 4.2Å; I152-F156 WeakPolarHBondContact O-CD2 3.15Å; I152-F156 PolarHBondContact O-N 3.39Å; F156-V158 VanDerWaalsContact C-N 3.31Å; F156-V158 HydrophobicContact CB-CG2 4.19Å; F156-V158 PolarHBondContact O-N 3.12Å
157G67.8Low62.3Low60 Ų60113.1 Ų113.162%0.61961%0.606SS**THydrogen-bonded Turntrans74.613.9174.700000115.3D153 Q159D153-G157 CarbonylContact O-C 3.03Å; D153-G157 WeakPolarHBondContact O-CA 3.46Å; D153-G157 PolarHBondContact O-N 2.99Å; G157-Q159 PolarHBondContact O-N 2.92Å
158V60.4Low60Low76 Ų76113.7 Ų113.746%0.46162%0.621SS.*  trans-80.649.1-178.6-1640000110.8D153 F156 E160D153-V158 HydrophobicContact CB-CB 4.31Å; D153-V158 PolarHBondContact O-N 2.92Å; F156-V158 VanDerWaalsContact C-N 3.31Å; F156-V158 HydrophobicContact CB-CG2 4.19Å; F156-V158 PolarHBondContact O-N 3.12Å; V158-E160 VanDerWaalsContact C-N 3.26Å; V158-E160 PolarHBondContact O-N 3.07Å
159Q45.9Very low57.9Low117 Ų117119.4 Ų119.455%0.54765%0.647SS.*  trans-82.372.9172.2-169.171.985.200109.3G157G157-Q159 PolarHBondContact O-N 2.92Å
160E45.6Very low55.5Low140 Ų140121.3 Ų121.365%0.65467%0.665SS**  trans-66.4134.5169.7-67.9-159.7160.100110.5V158 T162V158-E160 VanDerWaalsContact C-N 3.26Å; V158-E160 PolarHBondContact O-N 3.07Å; E160-T162 HydrophobicContact CB-CG2 4.03Å; E160-T162 PolarHBondContact O-N 2.77Å
161N44.7Very low52.8Low126 Ų126124.7 Ų124.767%0.67468%0.684SS**  trans-82.246.1-172-66.3-33.7000112.8S163 S164N161-S163 PolarHBondContact O-N 2.72Å; N161-S163 VanDerWaalsContact O-N 3.11Å; N161-S164 PolarHBondContact O-N 2.89Å
162T42.3Very low50Low110 Ų110122.5 Ų122.568%0.67569%0.691SS**G310 helixtrans-68.7-7.8-171.151.80000114.8E160E160-T162 HydrophobicContact CB-CG2 4.03Å; E160-T162 PolarHBondContact O-N 2.77Å
163S35.7Very low47.3Very low115 Ų115128.2 Ų128.280%0.80471%0.712SS**G310 helixtrans-80.6-10.1172.652.70000114.7N161N161-S163 PolarHBondContact O-N 2.72Å; N161-S163 VanDerWaalsContact O-N 3.11Å
164S34Very low44.5Very low89 Ų89132 Ų13262%0.62274%0.738SS**G310 helixtrans-91.10.5-170.5-168.70000115.7N161N161-S164 PolarHBondContact O-N 2.89Å
165L39.5Very low41.9Very low159 Ų159133.5 Ų133.583%0.83274%0.744SS**SBendtrans-111.69.1-165.9-101.8167.7000116.2
166V38.8Very low39.5Very low131 Ų131133.7 Ų133.779%0.79474%0.741SS**SBendtrans-115.98.1-173.6-163.40000113.2
167L35.9Very low37.6Very low170 Ų170132.3 Ų132.389%0.8975%0.751SS**SBendtrans-141.543.8-176.7-150.579.3000114.9
168S31.4Very low35.6Very low112 Ų112133.4 Ų133.478%0.78376%0.762SS**  trans-13230.8-178.9-630000114
169D35.4Very low34Very low158 Ų158137.8 Ų137.885%0.84578%0.783SS**  trans-123.458.6-178.7-143.2-9.5000112.8
170L35.8Very low33.1Very low168 Ų168136.8 Ų136.888%0.8880%0.795SS**SBendtrans-157.4133157.6-140.372.5000113.4
171K28.5Very low32.2Very low197 Ų197133.4 Ų133.486%0.85780%0.798SS**  trans61.795150.8-164.3175.5-174.6177.10118.5
172G26.1Very low31.5Very low71 Ų71136 Ų13673%0.73280%0.803SS**  trans-89.4-179.1163.300000115
173K27.7Very low30.8Very low210 Ų210138.3 Ų138.391%0.91381%0.806SS**  trans75.7104.3164-163.5-176.7-174-178.60118.7
174V29.1Very low30.4Very low147 Ų147137.5 Ų137.589%0.89181%0.807SS**  trans-158.6165.5135.7136.70000107.5
175K30.6Very low30.4Very low171 Ų171141.6 Ų141.674%0.74382%0.821SS**  trans-129.5174.8-173.189175.8-157.3178.50112.7
176D27.9Very low30.1Very low123 Ų123141 Ų14166%0.65882%0.823SS**  trans96.2138.4163-72.1-36.8000120.7
177S26.6Very low29.6Very low129 Ų129137.5 Ų137.590%0.90281%0.814SS**  trans75.3151.2154.876.60000120.5
178G25.4Very low29.8Very low83 Ų83136.2 Ų136.286%0.85681%0.808SS**  trans126.1117.3171.200000114.3
179N26.8Very low30.3Very low167 Ų167136.6 Ų136.689%0.89381%0.81SS**  trans-125.2163.4170.3-175.524.8000109.6
180A27.7Very low30.8Very low97 Ų97132.5 Ų132.580%0.80279%0.794SS**  trans73.6143.2-172.500000115.5
181G25.9Very low31Very low69 Ų69134.4 Ų134.471%0.71179%0.789SS**  cis167.2151-1200000115
182K30.8Very low31.9Very low181 Ų181131.4 Ų131.479%0.78779%0.787SS**  trans69135.4165.1-74.3168.5153-87.30119.7
183E27.3Very low32.6Very low158 Ų158132 Ų13274%0.73878%0.78SS**  trans60.896.7138.6-69.5152.4-127.800120.8
184A28.4Very low33.3Very low98 Ų98128.4 Ų128.481%0.8177%0.767SS**  trans-152136.9137.700000110.1
185L33.4Very low33.7Very low175 Ų175132.6 Ų132.692%0.91677%0.767SS**  trans-89.2134.7166.6-80.478.2000109.4
186V32.8Very low34.2Very low147 Ų147128.5 Ų128.589%0.89176%0.764SS**  trans-131.8117.3150.2179.80000106.7
187G28.7Very low34.8Very low57 Ų57127 Ų12759%0.58876%0.763SS**  trans-91.5161.1-17800000113.6
188D40.3Very low35.3Very low143 Ų143128.5 Ų128.577%0.76576%0.761SS**  trans50.191.4147.1-56.1-23.5000119.2
189S41.1Very low35.9Very low119 Ų119129.4 Ų129.483%0.83276%0.76SS**  trans-148.625.1155.3-72.50000112.7
190S45.8Very low36.5Very low72 Ų72125.2 Ų125.250%0.50375%0.749SS.*  trans-102-6.6-164.954.60000116.5
191W40.7Very low36.9Very low209 Ų209127.4 Ų127.479%0.79275%0.747SS**SBendtrans-90.7-20.2-170.6-77.583.1000115.6
192V46.4Very low37.4Very low133 Ų133133 Ų13381%0.80676%0.755SS**SBendtrans-84-30.2-177.5179.80000112.3Q194V192-Q194 VanDerWaalsContact C-N 3.3Å; V192-Q194 PolarHBondContact O-N 2.87Å
193S41.1Very low37.7Very low84 Ų84129.3 Ų129.359%0.58776%0.758SS**G310 helixtrans-75.7-8.7-174.3-49.40000115.3W195S193-W195 VanDerWaalsContact C-N 3.33Å; S193-W195 PolarHBondContact O-N 3.47Å
194Q43.7Very low37.8Very low135 Ų135133.1 Ų133.163%0.63177%0.765SS**G310 helixtrans-77.6-8.6-171.8-69.7-164.4-6.200115.5V192V192-Q194 VanDerWaalsContact C-N 3.3Å; V192-Q194 PolarHBondContact O-N 2.87Å
195W37Very low38.3Very low235 Ų235135.6 Ų135.689%0.8977%0.771SS**G310 helixtrans-93.5-15.1179.3-71.481.1000114.3S193S193-W195 VanDerWaalsContact C-N 3.33Å; S193-W195 PolarHBondContact O-N 3.47Å
196A40.4Very low38.2Very low84 Ų84134.2 Ų134.269%0.69476%0.764SS**SBendtrans-86.5-19.1-176.100000114.6
197S39.8Very low38.5Very low91 Ų91130.9 Ų130.964%0.63675%0.745SS**SBendtrans-99.29.8-167.3-53.10000116
198L37.4Very low38.7Very low161 Ų161137.4 Ų137.484%0.84376%0.761SS**SBendtrans-104.3-7.4-178-66.9178.7000115.1
199A37.8Very low38.2Very low102 Ų102132.1 Ų132.184%0.84374%0.74SS**SBendtrans-87.8-19.9176.400000114
200A40.8Very low37.9Very low80 Ų80129.1 Ų129.166%0.66172%0.719SS**SBendtrans-111.151.5-164.700000113.8
201N36Very low37.1Very low142 Ų142129.1 Ų129.176%0.75973%0.73SS**SBendtrans-161.139.2175.8-115-40.7000117.6
202Q36.6Very low36.5Very low187 Ų187123.6 Ų123.687%0.87473%0.73SS**  trans-148.845.8173.3-142.269.38500117.2R204Q202-R204 PolarHBondContact O-N 3.43Å
203A35.6Very low35.7Very low103 Ų103126.7 Ų126.785%0.85174%0.735SS**  trans-85.6102166.500000111.6
204R30.8Very low35Very low238 Ų238127.2 Ų127.290%0.89874%0.744SS**  trans28.2119.3159.8-66.1-179.6169.7-161.8-3.3119.9Q202Q202-R204 PolarHBondContact O-N 3.43Å
205T38.8Very low34.3Very low150 Ų150125.1 Ų125.192%0.9275%0.75SS**  -151.4153.3120.936.20000110.1
206D29.6Very low33.8Very low147 Ų147121 Ų12179%0.78675%0.751SS**  trans-138.1131.2-179.917827.4000108.6
207P39.9Very low33.1Very low76 Ų76126.4 Ų126.449%0.49476%0.759SS.*  trans-135.2123.4156.335.3-20.4000113.3M579P207-M579 HydrophobicContact CG-CE 4.39Å; P207-M579 HydrophobicContact CG-SD 3.62Å
208E33.4Very low32.4Very low194 Ų194129.5 Ų129.591%0.90777%0.768SS**  trans-66.7142.1172.9-167.3-168.7-143.700112.3
209G30.4Very low31.9Very low33 Ų33128.8 Ų128.834%0.3476%0.76SS.*  trans-175.2144.4168.400000112.2
210S33.4Very low31.4Very low55 Ų55131 Ų13139%0.38575%0.751SS.*  trans-87.4-162.1-179.870.20000112.6S580 G581 S583S210-S580 CarbonylContact O-C 3.55Å; S210-G581 CarbonylContact C-O 3.45Å; S210-G581 WeakPolarHBondContact CA-O 3.45Å; S210-G581 PolarHBondContact N-O 3.22Å; S210-G581 VanDerWaalsContact N-O 3.11Å; S210-G581 CarbonylContact O-C 3.37Å; S210-G581 WeakPolarHBondContact O-CA 3.11Å; S210-G581 PolarHBondContact O-N 3.49Å; S210-G581 PolarHBondContact OG-O 2.9Å; S210-S583 PolarHBondContact OG-N 2.9Å
211G28.8Very low30.7Very low72 Ų72132 Ų13274%0.74274%0.742SS**  trans145.2135.1174.500000109.6
212A28.9Very low30.5Very low94 Ų94133.8 Ų133.878%0.77774%0.738SS**  trans-134.4-177.1-174.600000111.3
213E28.8Very low30.2Very low198 Ų198128 Ų12893%0.92573%0.728SS**  trans80.8175.2166.7-48.8-162.3-154.900116.2
214A27.8Very low29.9Very low94 Ų94126.3 Ų126.378%0.77771%0.71SS**  trans-135.5160.8-133.100000115.7
215A29Very low29.8Very low91 Ų91121.6 Ų121.675%0.75270%0.703SS**  trans40.8123.8149.900000120.3
216T25.3Very low29.4Very low149 Ų149117.5 Ų117.591%0.91468%0.684SS**  -158.7168.4129.13.30000112.4
217F25.3Very low29.2Very low197 Ų197119.9 Ų119.986%0.86469%0.688SS**  trans-95.9-174.7-175.8-89.2-102.9000112.5
218L26.5Very low28.6Very low156 Ų156124.1 Ų124.182%0.81770%0.701SS**  trans90.7146.2158.1-55.2-179.5000116.5
219H25.8Very low28.6Very low147 Ų147119.5 Ų119.568%0.68169%0.691SS**  cis-168.7-178.9-25.9-162.8-95.9000108.1
220K28Very low28.4Very low149 Ų149122.6 Ų122.665%0.64871%0.712SS**  trans79.8112.1152.1-14571.5-172.4166.30114.4
221E26.8Very low28.3Very low100 Ų100124.3 Ų124.347%0.46773%0.73SS.*  cis75.6100.541.4-171.7-132.8136.800115
222R32Very low29.6Very low180 Ų180126.5 Ų126.568%0.67973%0.731SS**  -179.1145.3125.1-144.459.3-159.8-164.4-2.4107.4S224 D225R222-S224 PolarHBondContact NE-OG 3.5Å; R222-S224 PolarHBondContact NH2-OG 2.81Å; R222-D225 IonicContact NH2-OD2 3.66Å
223G28.6Very low30.4Very low65 Ų65127.1 Ų127.167%0.6773%0.727SS**  cis99153.416.300000110.9
224S29.5Very low30.6Very low67 Ų67126 Ų12647%0.46973%0.727SS.*  cis-170.9-179.7-342.80000110R222R222-S224 PolarHBondContact NE-OG 3.5Å; R222-S224 PolarHBondContact NH2-OG 2.81Å
225D28.6Very low30.5Very low139 Ų139124.5 Ų124.574%0.74372%0.72SS**  trans82.4142152.4-52.7-41.3000118.2R222R222-D225 IonicContact NH2-OD2 3.66Å
226A31.4Very low30.4Very low65 Ų65130.8 Ų130.854%0.53773%0.731SS.*  cis-151.4175-8.200000109.2
227F26.2Very low30.3Very low196 Ų196127.4 Ų127.486%0.8673%0.726SS**  cis-144.9-167.620.9-52.6-103.5000109.9
228E26.1Very low30.2Very low166 Ų166127.2 Ų127.278%0.77673%0.727SS**  cis-155.6-1555.2-142.4-132.498.600112.6
229S32.6Very low31Very low97 Ų97124.9 Ų124.968%0.67872%0.722SS**  trans-63.4157.6179.6-61.50000116.5
230A27.3Very low30.9Very low97 Ų97123.6 Ų123.680%0.80273%0.729SS**  cis-163.3-155.1-8.400000108.1
231A31.5Very low30.7Very low91 Ų91122 Ų12275%0.75274%0.737SS**  cis-1601719.500000112.9
232P54.8Low30.6Very low119 Ų119122 Ų12277%0.77375%0.748SS**  trans-116.4-174.8-173.144.3-32.2000113.5
233P46.9Very low30.5Very low106 Ų106120.3 Ų120.369%0.68875%0.752SS**  cis-150.6170.423.745.1-24000122
234L32.1Very low30.5Very low175 Ų175122.5 Ų122.592%0.91675%0.752SS**  trans60.5141.9150.5-69.9158.3000121.3
235G26.6Very low30.5Very low62 Ų62124.8 Ų124.864%0.63976%0.759SS**  cis162.8150.8-11.800000115.7
236K26.7Very low30.8Very low223 Ų223129.8 Ų129.897%0.9777%0.768SS**  trans67.5149175.3-54.6179.9-179.9-179.90116.5
237G23.9Very low31.1Very low79 Ų79134.3 Ų134.381%0.81478%0.775SS**  cis-170.1172.3-2.100000113.5
238E21.9Very low31.9Very low192 Ų192134.4 Ų134.490%0.89777%0.77SS**  trans-77179.7-172.1-90.8-174.3155.900117.1
239P43.4Very low32.6Very low108 Ų108136.9 Ų136.970%0.70177%0.772SS**  cis-141.8175.9-2736.3-17.4000116.4
240S23.5Very low32.5Very low119 Ų119139.2 Ų139.283%0.83278%0.783SS**  trans59.3121.8144.4-164.20000123
241S23.5Very low32.9Very low116 Ų116142.1 Ų142.181%0.81178%0.784SS**  -162.9163.3127.2-167.20000111.7
242S25.5Very low33.1Very low100 Ų100143.7 Ų143.770%0.69979%0.786SS**  trans-102.5170.5172.863.60000111.6
243L29.9Very low31.9Very low145 Ų145146.9 Ų146.976%0.75979%0.791SS**  152.1129.4114.6-164.262.6000115.1
244T29Very low31.5Very low110 Ų110149.4 Ų149.468%0.67580%0.798SS**  trans58.6129.115751.20000124.6
245D28.5Very low31.7Very low116 Ų116147.2 Ų147.262%0.6279%0.794SS**  trans36.3118.7138.5-79.2-93.1000123
246R35.9Very low31.9Very low244 Ų244149.9 Ų149.992%0.92180%0.798SS**  -156.3142.5102.2-113.3164.2157.389.5-6.5115
247K38Very low32Very low160 Ų160147.5 Ų147.570%0.69680%0.795SS**  trans-58.9152.6170.1-80.5148.2-177.8137.20111.2
248R42.1Very low32.4Very low198 Ų198150.2 Ų150.275%0.74779%0.791SS**  cis-163.9140.921.3-117.8151.9-167.2-87.83.9112.5
249R41.3Very low33.5Very low217 Ų217146.5 Ų146.582%0.81978%0.784SS**  trans47.6117141.6-59.4170.778.896.5-5.5121
250T30.5Very low32.8Very low147 Ų147152 Ų15290%0.90279%0.791SS**  trans-141.9159.4139.9-40000110
251L34.7Very low33Very low158 Ų158151.1 Ų151.183%0.82779%0.79SS**PPolyproline II helixtrans-85145.3170.5-80.7150.5000109.8
252P37.1Very low33.4Very low123 Ų123155 Ų15580%0.79979%0.792SS**PPolyproline II helixtrans-69.6149170.430.4-33.9000111.1
253Q29Very low34Very low187 Ų187155.5 Ų155.587%0.87479%0.793SS**PPolyproline II helixtrans-102.1166.9177-69.4-179.7-13.400111.5
254L38.7Very low34Very low159 Ų159154.4 Ų154.483%0.83279%0.793SS**PPolyproline II helixtrans-82.3169.3171.1-71.1171.5000111.2
255P36.1Very low34.6Very low128 Ų128154.5 Ų154.583%0.83180%0.795SS**PPolyproline II helixtrans-60.9169.3-174.6-26.737.5000116.4
256V30.6Very low34.7Very low119 Ų119157.7 Ų157.772%0.72180%0.804SS**  trans-118.1141.5-165.7175.40000111.5
257D28.7Very low34.2Very low172 Ų172150.4 Ų150.492%0.9280%0.795SS**  trans-122.7143.4154.2-79.1-59.2000109
258D33.7Very low33.8Very low136 Ų136150.1 Ų150.173%0.72780%0.801SS**  trans-145.4143.7179.2177.744.5000108.6R260D258-R260 PolarHBondContact OD1-N 3.25Å
259P43.4Very low33Very low115 Ų115150.3 Ų150.375%0.74780%0.801SS**  -145.8129.7106.433.1-15.2000116.8
260R29.1Very low32.3Very low224 Ų224144.4 Ų144.485%0.84579%0.794SS**  77.7105.4127.4-176.7-170.6-72.8-143.5-3.8119.9D258D258-R260 PolarHBondContact OD1-N 3.25Å
261A28.1Very low32.2Very low99 Ų99144.7 Ų144.782%0.81879%0.785SS**  -173.4160.4121.800000113.6
262K32.8Very low32.1Very low197 Ų197144.6 Ų144.686%0.85778%0.783SS**  trans-137.4176.6177.6-65.9-179.8-178.8176.50108.8
263P37.8Very low31.7Very low111 Ų111141.9 Ų141.972%0.72178%0.777SS**  cis-117.8167.6-2.416.210000113.6
264T28.8Very low32Very low122 Ų122140.5 Ų140.575%0.74877%0.771SS**  65.6157.85485.40000116.8
265P41.6Very low32Very low112 Ų112140.4 Ų140.473%0.72776%0.764SS**  cis-105.5-153.8-8.724.5-1.1000111.5
266K30.5Very low31.8Very low184 Ų184142.2 Ų142.280%0.876%0.761SS**  cis-143.4157.414.2-64.8175.3-175.1176.80108
267A26.6Very low31.8Very low90 Ų90143.6 Ų143.674%0.74476%0.764SS**  71.8127.352.600000113.8
268L29.6Very low32Very low154 Ų154142.4 Ų142.481%0.80676%0.764SS**  cis-145.4146.927.7-81.7167.6000111.3
269R24.9Very low31.8Very low202 Ų202144.5 Ų144.576%0.76277%0.769SS**  60.4139.481.1-174.6-170-179.41662.2114.8E271R269-E271 IonicContact NE-OE2 3.89Å; R269-E271 IonicContact NH2-OE2 3.84Å
270S26.8Very low31.8Very low94 Ų94144.9 Ų144.966%0.65777%0.772SS**  cis-178.9-174.5-22.4-82.10000107.6
271E27.8Very low31.7Very low152 Ų152143.3 Ų143.371%0.7177%0.774SS**  trans71.3150.1159.1-78.3159.1114.700117.5R269R269-E271 IonicContact NE-OE2 3.89Å; R269-E271 IonicContact NH2-OE2 3.84Å
272I31.8Very low31.8Very low157 Ų157146.3 Ų146.381%0.80577%0.771SS**  cis-165.6158-17.4-174.256.5000110.2
273G30.1Very low31.9Very low65 Ų65144.9 Ų144.967%0.6777%0.765SS**  trans71-172153.700000117.5
274E34.8Very low31.4Very low158 Ų158146 Ų14674%0.73876%0.76SS**  cis-149.5168.2-36.8-175.1154.8175.700109
275K38.8Very low31.3Very low158 Ų158146.7 Ų146.769%0.68776%0.759SS**  trans-43.4155-178.2-48.6156.8-165.4136.70115
276Q31.8Very low30.9Very low166 Ų166150.7 Ų150.778%0.77677%0.765SS**  -165.6154.6110-94.2-51.7-21.600110.5
277D30.3Very low30.7Very low147 Ų147145.4 Ų145.479%0.78676%0.763SS**  trans-85.4152.7161.9-64.8-72.7000109.7
278T33.8Very low30.7Very low147 Ų147149.2 Ų149.290%0.90277%0.771SS**  trans-158.8150.6151.1-9.10000112.8
279E27.9Very low30.6Very low181 Ų181145.9 Ų145.985%0.84677%0.774SS**  trans-90.4155.3-172-164.5163.9174.200111.1
280P44.8Very low30.8Very low123 Ų123145 Ų14580%0.79978%0.778SS**  trans-82.8171.2-172.134.6-37.2000113.7
281Q27.2Very low31.1Very low191 Ų191145.8 Ų145.889%0.89378%0.784SS**  trans-127163169.2-160.6168.32.600112.2
282E28.3Very low31.7Very low161 Ų161144.3 Ų144.375%0.75279%0.788SS**  trans-102.6-173.5-156-48.8169.9115.400114.8
283K36.7Very low31.7Very low167 Ų167143 Ų14373%0.72679%0.787SS**  trans82.9129.4160.3-60.5-159.2175.7-158.40117.9
284E26.2Very low32.2Very low135 Ų135144.9 Ų144.963%0.63179%0.788SS**  cis77.29241.2-168.8-139.2170.700113
285N27.5Very low31.9Very low136 Ų136145.1 Ų145.173%0.72779%0.79SS**  -168.1179.2104.8-122.5-66.9000114.6
286K32.8Very low31.5Very low196 Ų196146 Ų14685%0.85280%0.797SS**  trans-80.9163.4164.4-70.5-171.2172.1-168.40111.9
287G27.3Very low31.3Very low73 Ų73145.8 Ų145.875%0.75380%0.801SS**  trans-166137.9163.600000111.2
288D25.5Very low31.3Very low170 Ų170141.4 Ų141.491%0.90979%0.791SS**  trans-97171.9-179.4-49.7-89.7000111.7
289G27.8Very low31Very low84 Ų84142.8 Ų142.887%0.86679%0.787SS**  trans123.8141.6162.700000115.9
290E29.7Very low31.2Very low183 Ų183141.4 Ų141.486%0.85578%0.782SS**  trans-136.7155.8-177-175.2178.9177.900110.5
291S31.6Very low30.6Very low112 Ų112140.5 Ų140.578%0.78378%0.775SS**  trans74165.2171.4900000114.9
292P42Very low30.6Very low121 Ų121137.1 Ų137.179%0.78676%0.763SS**  cis-125.9178.817.742.8-28.1000117.1
293T30.1Very low30.7Very low129 Ų129138.4 Ų138.479%0.79177%0.766SS**  trans-103.6173173.252.60000112.1
294P41Very low30.2Very low105 Ų105141.1 Ų141.168%0.68277%0.771SS**  trans-133.2130.3130.834.4-22.7000111.7
295M28.7Very low30.3Very low162 Ų162142.4 Ų142.480%0.79878%0.775SS**  75.314496.2-64-167.5-63.800114.6
296E30.8Very low30.4Very low177 Ų177142.7 Ų142.783%0.82777%0.772SS**  cis-129.1-175.313.2-142146.3-74.800113.2
297D28.1Very low30.1Very low162 Ų162137.9 Ų137.987%0.86676%0.763SS**  trans-105.7-167.2-166.5-144.941.8000111.3
298G29.7Very low29.9Very low54 Ų54139.3 Ų139.356%0.55776%0.762SS**  cis167.4-157.413.300000117.2
299E26.8Very low29.9Very low177 Ų177135.2 Ų135.283%0.82775%0.751SS**  trans63.7151.1172.5-75.9-162.7105.700117.2
300M33.8Very low29.7Very low151 Ų151137.9 Ų137.974%0.74475%0.751SS**  cis-152.2124.93.929.8178.9-72.800113.7
301T30.5Very low29.5Very low105 Ų105134.4 Ų134.464%0.64475%0.747SS**  trans57.4117.913767.40000124.3
302N28.8Very low29.3Very low119 Ų119134.1 Ų134.164%0.63675%0.745SS**  76.5110.4122.3-73.6-51.8000124.3
303K28.9Very low29.5Very low188 Ų188133.5 Ų133.582%0.81774%0.741SS**  73.5137.3123.1-65174.4-179.3173.10121.8
304R27.8Very low29.5Very low225 Ų225131.9 Ų131.985%0.84974%0.735SS**  trans113.493.3130.2-156.3174.4-159.5-163.55.1118.8
305K27.9Very low29.1Very low161 Ų161136.1 Ų136.170%0.774%0.742SS**  64128.8119.2-148.4-150.8174-1580119.4
306Q28.4Very low29.1Very low142 Ų142131.9 Ų131.966%0.66474%0.741SS**  trans90.4120.8156.6-48.5-167-134.800120.7
307S26.3Very low29.7Very low96 Ų96129 Ų12967%0.67174%0.737SS**  64.9133.1128.964.70000123.9
308S24.8Very low30Very low103 Ų103127.9 Ų127.972%0.7274%0.736SS**  trans71101.3133.563.20000121.6
309A24.9Very low30.1Very low84 Ų84136.6 Ų136.669%0.69475%0.752SS**  71154.2114.500000121.4
310T24.3Very low30.2Very low140 Ų140130.9 Ų130.986%0.85974%0.741SS**  trans63.8149.3171.160.60000116.8
311S23.6Very low30.3Very low109 Ų109130.3 Ų130.376%0.76275%0.746SS**  cis-164166.7-22.752.60000110.1
312S27.3Very low30.4Very low107 Ų107131.9 Ų131.975%0.74875%0.746SS**  trans-64.8-172.1164.1-27.30000112
313P47.7Very low30.8Very low107 Ų107135.7 Ų135.770%0.69575%0.751SS**  cis-142-165.6-7.534.2-11.2000115.3
314S28.7Very low31.3Very low95 Ų95137.5 Ų137.566%0.66475%0.753SS**  trans87.5163.4139.886.50000119.7
315K33.9Very low31.8Very low194 Ų194134.3 Ų134.384%0.84375%0.745SS**  cis-164.2126.36.1-141.4159.7-166.81730115.4
316G28.3Very low32.3Very low74 Ų74135.8 Ų135.876%0.76375%0.746SS**  trans53.4-159.7148.500000120.8
317P44.2Very low32.8Very low116 Ų116133.7 Ų133.775%0.75375%0.748SS**  cis-142.6-179-15.839.9-20.7000117.1
318V33.4Very low33.2Very low139 Ų139136.5 Ų136.584%0.84275%0.75SS**  trans62.7148.7167.2-110.10000118.6
319R32.7Very low33.5Very low236 Ų236136.6 Ų136.689%0.89174%0.739SS**  cis-162.2164.78.8-174173.5-179.7162.9-0.1108
320G28.7Very low34.1Very low58 Ų58137.9 Ų137.960%0.59874%0.743SS**  cis157.5160.8-8.300000112.2
321T35.9Very low34.5Very low138 Ų138135.3 Ų135.385%0.84772%0.724SS**  trans62.8139.4171.244.10000119.7
322E32.2Very low35Very low138 Ų138133.1 Ų133.165%0.64572%0.719SS**  cis-162.2139.8-8-156.4-168166.500112.9
323R36.2Very low35.5Very low200 Ų200131.4 Ų131.476%0.75572%0.718SS**  trans57.6145.7163.4-77.6140112.3147.13.2118.2
324R39.8Very low34.9Very low225 Ų225134.1 Ų134.185%0.84972%0.721SS**  cis-161.5176.411.7-112.7176.6171.1172.9-5106.3
325K38.2Very low35.3Very low158 Ų158135 Ų13569%0.68773%0.734SS**  cis-165.9122.6-7.4146.9-97.4133.8-121.10110.3
326R38Very low35.1Very low192 Ų192129.6 Ų129.673%0.72573%0.734SS**  trans35.7146.5151.9-93.5-175.4-94.7168.6-8.7122E328R326-E328 VanDerWaalsContact CD-OE1 3.22Å; R326-E328 WeakPolarHBondContact CD-OE1 3.2Å; R326-E328 WeakPolarHBondContact CG-OE1 3.34Å; R326-E328 WeakPolarHBondContact CG-OE2 3.37Å
327S40.2Very low35.2Very low99 Ų99135.8 Ų135.869%0.69274%0.743SS**  cis-169.3152.217.233.40000108.9
328E33.4Very low34.4Very low154 Ų154134 Ų13472%0.7275%0.745SS**  cis-142.9-120.2-4.9-142.266.78800111.3R326R326-E328 VanDerWaalsContact CD-OE1 3.22Å; R326-E328 WeakPolarHBondContact CD-OE1 3.2Å; R326-E328 WeakPolarHBondContact CG-OE1 3.34Å; R326-E328 WeakPolarHBondContact CG-OE2 3.37Å
329E31.4Very low34.3Very low106 Ų106130.6 Ų130.650%0.49574%0.739SS.*  trans-149.7133.2-172.4-174.5-145.973.700113.6N331 R899 K900E329-N331 PolarHBondContact OE1-ND2 3.35Å; E329-R899 VanDerWaalsContact CD-NH2 3.28Å; E329-R899 IonicContact OE1-CZ 2.6Å; E329-R899 IonicContact OE1-NH1 3.28Å; E329-R899 IonicContact OE1-NH2 3.05Å; E329-R899 PolarHBondContact OE1-NH2 3.04Å; E329-R899 IonicContact OE2-NH2 2.64Å; E329-R899 PolarHBondContact OE2-NH2 3.46Å; E329-K900 IonicContact OE2-NZ 3.62Å; E329-K900 PolarHBondContact OE2-NZ 3.2Å
330S37.3Very low34.1Very low110 Ų110127.2 Ų127.277%0.76973%0.733SS**  trans-174.6160.7144.4-85.40000114.4
331N33.8Very low34.5Very low87 Ų87132.4 Ų132.447%0.46574%0.739SS.*  cis-173.4123.2-41.7-105.9-53000109.4E329 R899E329-N331 PolarHBondContact OE1-ND2 3.35Å; N331-R899 PolarHBondContact ND2-NH2 3.46Å; N331-R899 VanDerWaalsContact ND2-NH2 3.19Å; N331-R899 PolarHBondContact OD1-NE 3.05Å; N331-R899 PolarHBondContact OD1-NH2 3.2Å
332G33.8Very low34.4Very low63 Ų63132 Ų13265%0.64974%0.742SS**  trans74.7179.4176.600000115.1
333G37.1Very low34.4Very low71 Ų71128.9 Ų128.973%0.73275%0.747SS**  cis139.1155.5-10.200000113.6
334E35.4Very low34.7Very low164 Ų164129.7 Ų129.777%0.76676%0.756SS**  cis-164.2176.6-14.8-108.3132.376.300108.2
335A36.5Very low34.4Very low112 Ų112124.1 Ų124.193%0.92676%0.758SS**  trans-136.9-179.3-165.200000115.7
336G30.2Very low34.3Very low81 Ų81125 Ų12584%0.83577%0.769SS**  trans-173.7157.5174.500000115.8
337E30.8Very low34.2Very low204 Ų204122.2 Ų122.295%0.95377%0.773SS**  trans-147.7152.6-163.5-167.3-169151.500115.1
338G27.9Very low34Very low78 Ų78126.8 Ų126.880%0.80478%0.775SS**  trans96150.4159.100000117.7
339G30.2Very low34.1Very low69 Ų69127.7 Ų127.771%0.71178%0.779SS**  cis174.8161.9-7.700000115.3
340E29.5Very low34.8Very low164 Ų164126.1 Ų126.177%0.76679%0.792SS**  trans66.7155.8157.266.2161.281.200125.3
341K36.1Very low35Very low167 Ų167126.2 Ų126.273%0.72679%0.792SS**  trans75.4113.1155.460.7176167.2-66.10124.7
342S34.2Very low35.3Very low129 Ų129132.3 Ų132.390%0.90282%0.815SS**  trans116.6149.7132.8-156.50000118.9
343G32.7Very low35.5Very low73 Ų73135.8 Ų135.875%0.75382%0.824SS**  trans96.3111.1164.200000117
344K42.7Very low35.7Very low218 Ų218139.8 Ų139.895%0.94883%0.827SS**  trans-109126.3165.7-64176.6-176174.90109.5
345A34.1Very low35.8Very low108 Ų108140.9 Ų140.989%0.89383%0.832SS**  trans-141.4124165.600000110.2
346L35.6Very low36.1Very low175 Ų175143.7 Ų143.792%0.91682%0.823SS**  trans-89.4124.7177.6176.280.2000109.2
347V34.9Very low36.7Very low135 Ų135146.1 Ų146.182%0.81883%0.825SS**  trans-158.9148.1154.7124.80000111.3
348R36Very low37.1Very low195 Ų195142 Ų14274%0.73682%0.818SS**  trans-76.6142173.2-61.7135.749.1-108.5-0.3110
349Q35.3Very low37.7Very low172 Ų172143.6 Ų143.680%0.80482%0.817SS**  -169.3157.9107.7-105174.2-78.900111.1
350G47.3Very low38.2Very low73 Ų73147.7 Ų147.775%0.75382%0.823SS**  trans-82147.6168.900000110.4
351S41.6Very low39.2Very low112 Ų112146 Ų14678%0.78382%0.823SS**  trans-137.6125.6172.4-64.30000108.1
352F38.8Very low39.9Very low215 Ų215142 Ų14294%0.94381%0.814SS**  trans-67.9141.4174-71.6-106.6000109.9
353T39.2Very low40.6Very low136 Ų136141 Ų14183%0.83481%0.805SS**  trans-130.8127.7161.8340000109.3E355T353-E355 PolarHBondContact O-N 3.35Å
354I40.7Very low41.7Very low156 Ų156146.1 Ų146.180%0.881%0.809SS**  trans-77.9106.4178-63.4165.7000107.7
355E37.6Very low42Very low187 Ų187143.1 Ų143.187%0.87480%0.803SS**  trans-73.1135.5174.9-170.1160.6-150.600110.4T353T353-E355 PolarHBondContact O-N 3.35Å
356K42.6Very low42.7Very low170 Ų170144 Ų14474%0.73979%0.791SS**  trans-113.2125.8-179.3-65.7168.2-176.9169.20107.7S358K356-S358 PolarHBondContact O-N 3.23Å
357P43.3Very low43.1Very low133 Ų133141.6 Ų141.686%0.86479%0.786SS**  trans-67.4107.7178.726.9-33.3000110.1S359P357-S359 PolarHBondContact O-N 3.49Å
358S39.6Very low43.4Very low116 Ų116145.9 Ų145.981%0.81179%0.788SS**  trans-86.7103.5176.946.10000110.8K356 N360K356-S358 PolarHBondContact O-N 3.23Å; S358-N360 PolarHBondContact O-N 2.83Å; S358-N360 VanDerWaalsContact O-N 3.11Å
359S40.3Very low43.2Very low113 Ų113144.1 Ų144.179%0.7979%0.791SS**  trans-73.299.4173.645.10000111.3P357P357-S359 PolarHBondContact O-N 3.49Å
360N39.3Very low43Very low155 Ų155143.2 Ų143.283%0.82979%0.792SS**  trans-161.7110.1158.2-114.2-83.7000111.9S358S358-N360 PolarHBondContact O-N 2.83Å; S358-N360 VanDerWaalsContact O-N 3.11Å
361V52.2Low42.4Very low127 Ų127151 Ų15177%0.7780%0.798SS**  trans-130.2126.1162.7178.50000106.8
362P50.8Low42Very low84 Ų84148.9 Ų148.955%0.54580%0.795SS.*  trans-69143-176.927.4-34.1000111.5E364P362-E364 PolarHBondContact O-N 2.93Å
363P49.2Very low41.8Very low107 Ų107145.8 Ų145.870%0.69579%0.788SS**G310 helixtrans-75.24.7-167.730.8-37.5000115.5
364E54.8Low41.5Very low181 Ų181146.6 Ų146.685%0.84679%0.787SS**G310 helixtrans-93.2-5.2-168.3-58.7-168.4149.900114.6P362P362-E364 PolarHBondContact O-N 2.93Å
365L48.3Very low41Very low155 Ų155147.6 Ų147.681%0.81279%0.788SS**G310 helixtrans-97.710.8177.7-69.1176.3000114.5
366I49.6Very low41.6Very low126 Ų126149.5 Ų149.565%0.64679%0.787SS**SBendtrans-100.7116.9174.2-57.2178.7000109.5R368I366-R368 PolarHBondContact O-N 3.01Å
367P43.4Very low41.1Very low126 Ų126150.4 Ų150.482%0.81879%0.794SS**  trans-59.6129.8-179.3-2635.3000113.5
368R41Very low41.3Very low225 Ų225155.3 Ų155.385%0.84980%0.796SS**  trans-127.286.9-178.6-77.6-178163.2-159.9-2.1112.4I366I366-R368 PolarHBondContact O-N 3.01Å
369I32.1Very low41Very low157 Ų157154.9 Ų154.981%0.80579%0.792SS**  trans-151.7129.1171.9-46.2176.7000107.2
370N32.4Very low40.9Very low154 Ų154156.9 Ų156.982%0.82479%0.794SS**  cis-145.5144.9-15.3-108.5-13.4000107.2
371R33.7Very low40.8Very low236 Ų236154.8 Ų154.889%0.89179%0.792SS**  trans-109.4111.6164.9-146.8-177.3-154-82.84.3108.3
372G33Very low40.6Very low68 Ų68156 Ų15670%0.70180%0.799SS**  trans-70143.1173.100000110.8
373N34.6Very low40.2Very low149 Ų149154.8 Ų154.880%0.79780%0.802SS**  trans-89.1130.3174.3-55.8-29.4000109.1
374N33.6Very low40.3Very low153 Ų153155.4 Ų155.482%0.81881%0.808SS**  trans171.5176.2139.2-88-10000110.9
375E29.8Very low40.6Very low178 Ų178153 Ų15383%0.83280%0.799SS**  trans61.4105.3174.3-124.862-117.600117.7E377E375-E377 PolarHBondContact O-N 3.4Å
376R50.3Low41.8Very low227 Ų227149.8 Ų149.886%0.85778%0.783SS**  trans-77.4108.9170.8167.2-153-64.4-148.9-6.6109.8
377E32.4Very low43.2Very low188 Ų188148.9 Ų148.988%0.87978%0.783SS**  trans-129157.3145-71.7-148.2123.600110.3E375E375-E377 PolarHBondContact O-N 3.4Å
378R47.1Very low44.9Very low237 Ų237145.5 Ų145.589%0.89477%0.766SS**  trans-101.7120.6-172.8-74.1174.9169.4157.3-6.9110.4
379S33.5Very low47Very low106 Ų106137.6 Ų137.674%0.74174%0.743SS**  trans-144.397.3166.1-530000110.5S381S379-S381 PolarHBondContact O-N 3.15Å
380D38.2Very low49.5Very low156 Ų156134.5 Ų134.583%0.83473%0.727SS**  trans47.148.4131.2-49.4-20.1000118V382D380-V382 PolarHBondContact O-N 3.41Å; D380-V382 VanDerWaalsContact O-N 3.11Å
381S36.2Very low52.3Low111 Ų111133 Ų13378%0.77672%0.719SS**  trans-67.9104.515561.70000109S379 G383S379-S381 PolarHBondContact O-N 3.15Å; S381-G383 PolarHBondContact O-N 3.17Å
382V47.8Very low54.9Low152 Ų152128.6 Ų128.692%0.92171%0.706SS**  trans-6673.3165.7-84.20000110D380D380-V382 PolarHBondContact O-N 3.41Å; D380-V382 VanDerWaalsContact O-N 3.11Å
383G42.5Very low57.8Low58 Ų58129.7 Ų129.760%0.59870%0.696SS**  trans-91.6117.4-174.300000112.1S381 M385S381-G383 PolarHBondContact O-N 3.17Å; G383-M385 PolarHBondContact O-N 3.23Å
384S51.8Low60.6Low120 Ų120125.9 Ų125.984%0.83968%0.678SS**  trans38.167.8153.3-173.60000115.3D386S384-D386 PolarHBondContact O-N 3.39Å; S384-D386 VanDerWaalsContact O-N 3.11Å
385M62.2Low63.3Low131 Ų131124.6 Ų124.665%0.64567%0.667SS**  trans-61.2116.9174.2-167.2146.768.500109.8G383 T389 L390G383-M385 PolarHBondContact O-N 3.23Å; M385-T389 WeakPolarHBondContact CG-OG1 3.41Å; M385-L390 HydrophobicContact CE-CD1 4.37Å
386D73.6Confident66.3Low88 Ų88118.8 Ų118.847%0.47165%0.649SS.*  trans-62.1135.2-177.7178.51.2000109.5S384 A388 T389 L390S384-D386 PolarHBondContact O-N 3.39Å; S384-D386 VanDerWaalsContact O-N 3.11Å; D386-A388 PolarHBondContact O-N 3.27Å; D386-A388 PolarHBondContact OD1-N 3.19Å; D386-T389 HydrophobicContact CB-CG2 4.13Å; D386-T389 PolarHBondContact N-OG1 2.86Å; D386-T389 WeakPolarHBondContact O-CA 3.45Å; D386-T389 PolarHBondContact O-N 3.07Å; D386-T389 PolarHBondContact O-OG1 2.94Å; D386-L390 PolarHBondContact O-N 3.49Å
387T77.8Confident68.4Low107 Ų107112.2 Ų112.266%0.65663%0.634SS**Hα-helixtrans-60.6-29.1177.755.50000111.4T389 L390 L391T387-T389 VanDerWaalsContact C-N 3.34Å; T387-L390 PolarHBondContact O-N 3.24Å; T387-L391 WeakPolarHBondContact O-CB 3.23Å; T387-L391 VanDerWaalsContact O-CG 3.31Å; T387-L391 WeakPolarHBondContact O-CG 3.35Å; T387-L391 PolarHBondContact O-N 3.39Å
388A80.1Confident71.1Confident55 Ų55108.9 Ų108.946%0.45562%0.62SS.*Hα-helixtrans-67.3-30.8171.100000113.1D386 K392D386-A388 PolarHBondContact O-N 3.27Å; D386-A388 PolarHBondContact OD1-N 3.19Å; A388-K392 WeakPolarHBondContact O-CB 3.38Å; A388-K392 PolarHBondContact O-N 2.88Å
389T84.3Confident73.1Confident59 Ų59100.2 Ų100.236%0.36260%0.599SS.*Hα-helixtrans-75.1-43.9172.955.50000111.8M385 D386 T387 L391 K392 D393M385-T389 WeakPolarHBondContact CG-OG1 3.41Å; D386-T389 HydrophobicContact CB-CG2 4.13Å; D386-T389 PolarHBondContact N-OG1 2.86Å; D386-T389 WeakPolarHBondContact O-CA 3.45Å; D386-T389 PolarHBondContact O-N 3.07Å; D386-T389 PolarHBondContact O-OG1 2.94Å; T387-T389 VanDerWaalsContact C-N 3.34Å; T389-L391 VanDerWaalsContact C-N 3.32Å; T389-L391 PolarHBondContact O-N 3.01Å; T389-K392 WeakPolarHBondContact O-CB 3.29Å; T389-K392 PolarHBondContact O-N 3.4Å; T389-D393 PolarHBondContact O-N 3.04Å
390L85.3Confident75.9Confident91 Ų91101.4 Ų101.448%0.47659%0.591SS.*Hα-helixtrans-59.9-40.5177.2179.761.5000112.7M385 D386 T387 T394M385-L390 HydrophobicContact CE-CD1 4.37Å; D386-L390 PolarHBondContact O-N 3.49Å; T387-L390 PolarHBondContact O-N 3.24Å; L390-T394 WeakPolarHBondContact O-CB 3.5Å; L390-T394 PolarHBondContact O-N 3.26Å; L390-T394 PolarHBondContact O-OG1 2.86Å
391L89.7Confident78.4Confident124 Ų12498.6 Ų98.665%0.64958%0.576SS**Hα-helixtrans-64.8-39.7174-73.5170.8000111.8T387 T389 T394 E395T387-L391 WeakPolarHBondContact O-CB 3.23Å; T387-L391 VanDerWaalsContact O-CG 3.31Å; T387-L391 WeakPolarHBondContact O-CG 3.35Å; T387-L391 PolarHBondContact O-N 3.39Å; T389-L391 VanDerWaalsContact C-N 3.32Å; T389-L391 PolarHBondContact O-N 3.01Å; L391-T394 WeakPolarHBondContact O-CB 3.46Å; L391-T394 PolarHBondContact O-N 2.82Å; L391-E395 PolarHBondContact O-N 3.13Å
392K89.7Confident80.9Confident142 Ų14298 Ų9862%0.61756%0.561SS**Hα-helixtrans-69.5-37.2178.2-121.6173.6-177.51730113.5A388 T389 T394 E395 A396A388-K392 WeakPolarHBondContact O-CB 3.38Å; A388-K392 PolarHBondContact O-N 2.88Å; T389-K392 WeakPolarHBondContact O-CB 3.29Å; T389-K392 PolarHBondContact O-N 3.4Å; K392-T394 VanDerWaalsContact C-N 3.3Å; K392-E395 PolarHBondContact O-N 3.48Å; K392-A396 VanDerWaalsContact O-CB 3.31Å; K392-A396 WeakPolarHBondContact O-CB 3.34Å; K392-A396 PolarHBondContact O-N 2.92Å
393D93.2Very high82.5Confident92 Ų9292.9 Ų92.949%0.49254%0.535SS..Hα-helixtrans-69.6-34.2175.1-70.4-11.3000110.3T389 A396 V397T389-D393 PolarHBondContact O-N 3.04Å; D393-A396 PolarHBondContact O-N 3.44Å; D393-V397 WeakPolarHBondContact O-CB 3.31Å; D393-V397 VanDerWaalsContact O-CG2 3.25Å; D393-V397 WeakPolarHBondContact O-CG2 3.2Å; D393-V397 PolarHBondContact O-N 3.39Å
394T93.3Very high84.4Confident69 Ų6996.6 Ų96.642%0.42353%0.534SS..Hα-helixtrans-65.9-45171.8-54.40000111.4L390 L391 K392 V397 M398L390-T394 WeakPolarHBondContact O-CB 3.5Å; L390-T394 PolarHBondContact O-N 3.26Å; L390-T394 PolarHBondContact O-OG1 2.86Å; L391-T394 WeakPolarHBondContact O-CB 3.46Å; L391-T394 PolarHBondContact O-N 2.82Å; K392-T394 VanDerWaalsContact C-N 3.3Å; T394-V397 PolarHBondContact O-N 3.4Å; T394-M398 HydrophobicContact CG2-CE 4.41Å; T394-M398 WeakPolarHBondContact O-CG 3.49Å; T394-M398 PolarHBondContact O-N 2.89Å
395E90.3Very high85.5Confident125 Ų12595.7 Ų95.758%0.58452%0.52SS*.Hα-helixtrans-58-46.4172.3-175.6-175.6-173.200111.4L391 K392 V397 M398 A399L391-E395 PolarHBondContact O-N 3.13Å; K392-E395 PolarHBondContact O-N 3.48Å; E395-V397 PolarHBondContact O-N 2.94Å; E395-M398 PolarHBondContact O-N 3.06Å; E395-A399 WeakPolarHBondContact O-CB 3.35Å; E395-A399 PolarHBondContact O-N 2.95Å
396A92.7Very high85.8Confident56 Ų5696.7 Ų96.746%0.46352%0.516SS..Hα-helixtrans-65.4-37.9178.900000112.9K392 D393 F400K392-A396 VanDerWaalsContact O-CB 3.31Å; K392-A396 WeakPolarHBondContact O-CB 3.34Å; K392-A396 PolarHBondContact O-N 2.92Å; D393-A396 PolarHBondContact O-N 3.44Å; A396-F400 VanDerWaalsContact O-CB 3.28Å; A396-F400 WeakPolarHBondContact O-CB 3.19Å; A396-F400 PolarHBondContact O-N 3.32Å
397V94.4Very high85.3Confident89 Ų8997.3 Ų97.354%0.53952%0.519SS..Hα-helixtrans-66.4-42.7174.6166.30000111.2D393 T394 E395 F400 L401D393-V397 WeakPolarHBondContact O-CB 3.31Å; D393-V397 VanDerWaalsContact O-CG2 3.25Å; D393-V397 WeakPolarHBondContact O-CG2 3.2Å; D393-V397 PolarHBondContact O-N 3.39Å; T394-V397 PolarHBondContact O-N 3.4Å; E395-V397 PolarHBondContact O-N 2.94Å; V397-F400 PolarHBondContact O-N 3.34Å; V397-L401 HydrophobicContact CG1-CD1 4.15Å; V397-L401 WeakPolarHBondContact O-CG 3.39Å; V397-L401 PolarHBondContact O-N 3.06Å
398M89.9Confident84.5Confident118 Ų11897.8 Ų97.858%0.58151%0.514SS*.Hα-helixtrans-64.7-44.6174.5-69.7-169.7-61.900111.8T394 E395 F400 L401 E402T394-M398 HydrophobicContact CG2-CE 4.41Å; T394-M398 WeakPolarHBondContact O-CG 3.49Å; T394-M398 PolarHBondContact O-N 2.89Å; E395-M398 PolarHBondContact O-N 3.06Å; M398-F400 VanDerWaalsContact C-N 3.32Å; M398-F400 PolarHBondContact O-N 2.84Å; M398-L401 PolarHBondContact O-N 3.47Å; M398-E402 PolarHBondContact O-N 3.43Å
399A87.9Confident83.3Confident56 Ų5699.6 Ų99.646%0.46352%0.516SS..Hα-helixtrans-63.2-35.9176.500000112.5E395 A403E395-A399 WeakPolarHBondContact O-CB 3.35Å; E395-A399 PolarHBondContact O-N 2.95Å; A399-A403 VanDerWaalsContact O-CB 3.23Å; A399-A403 WeakPolarHBondContact O-CB 3.35Å; A399-A403 PolarHBondContact O-N 3.14Å
400F92.6Very high81.8Confident131 Ų131103 Ų10358%0.57553%0.526SS*.Hα-helixtrans-67.7-40.7173.4178.1-101.9000112.3A396 V397 M398 A403 K404A396-F400 VanDerWaalsContact O-CB 3.28Å; A396-F400 WeakPolarHBondContact O-CB 3.19Å; A396-F400 PolarHBondContact O-N 3.32Å; V397-F400 PolarHBondContact O-N 3.34Å; M398-F400 VanDerWaalsContact C-N 3.32Å; M398-F400 PolarHBondContact O-N 2.84Å; F400-A403 PolarHBondContact O-N 3.11Å; F400-K404 HydrophobicContact CE1-CD 4.27Å; F400-K404 HydrophobicContact CZ-CD 4.42Å; F400-K404 VanDerWaalsContact O-CB 3.27Å; F400-K404 WeakPolarHBondContact O-CB 3.45Å; F400-K404 PolarHBondContact O-N 2.68Å
401L92.1Very high80.1Confident96 Ų96105.4 Ų105.450%0.50354%0.539SS..Hα-helixtrans-64.4-44.1174.7-73.2167.7000111.5V397 M398 K404 L405V397-L401 HydrophobicContact CG1-CD1 4.15Å; V397-L401 WeakPolarHBondContact O-CG 3.39Å; V397-L401 PolarHBondContact O-N 3.06Å; M398-L401 PolarHBondContact O-N 3.47Å; L401-K404 PolarHBondContact O-N 2.92Å; L401-L405 WeakPolarHBondContact O-CG 3.35Å; L401-L405 PolarHBondContact O-N 3.45Å
402E86.9Confident78.2Confident98 Ų98105.1 Ų105.146%0.45854%0.538SS..Hα-helixtrans-62.7-48.4174.9-159.9-157.2145.300111.1M398 K404 L405 R406M398-E402 PolarHBondContact O-N 3.43Å; E402-K404 VanDerWaalsContact C-N 3.26Å; E402-K404 PolarHBondContact O-N 3.11Å; E402-L405 PolarHBondContact O-N 3.45Å; E402-R406 HydrophobicContact CG-CG 4.27Å; E402-R406 WeakPolarHBondContact O-CB 3.42Å; E402-R406 WeakPolarHBondContact O-CG 3.36Å; E402-R406 PolarHBondContact O-N 2.91Å; E402-R406 IonicContact OE1-CZ 2.75Å; E402-R406 IonicContact OE1-NE 3.44Å; E402-R406 PolarHBondContact OE1-NE 2.64Å; E402-R406 IonicContact OE1-NH2 2.71Å; E402-R406 PolarHBondContact OE1-NH2 3.36Å
403A81.6Confident76Confident46 Ų46105.7 Ų105.738%0.3854%0.543SS..Hα-helixtrans-56.8-40.8177.300000112A399 F400 R406 D407A399-A403 VanDerWaalsContact O-CB 3.23Å; A399-A403 WeakPolarHBondContact O-CB 3.35Å; A399-A403 PolarHBondContact O-N 3.14Å; F400-A403 PolarHBondContact O-N 3.11Å; A403-R406 WeakPolarHBondContact O-CB 3.48Å; A403-R406 PolarHBondContact O-N 3.44Å; A403-D407 WeakPolarHBondContact O-CB 3.47Å; A403-D407 PolarHBondContact O-N 3.09Å
404K82.8Confident73.4Confident135 Ų135110.8 Ų110.859%0.58756%0.56SS**Hα-helixtrans-67.5-39.7179.1-163.5174.9-176.4-174.60112.8F400 L401 E402 D407 E408F400-K404 HydrophobicContact CE1-CD 4.27Å; F400-K404 HydrophobicContact CZ-CD 4.42Å; F400-K404 VanDerWaalsContact O-CB 3.27Å; F400-K404 WeakPolarHBondContact O-CB 3.45Å; F400-K404 PolarHBondContact O-N 2.68Å; L401-K404 PolarHBondContact O-N 2.92Å; E402-K404 VanDerWaalsContact C-N 3.26Å; E402-K404 PolarHBondContact O-N 3.11Å; K404-D407 PolarHBondContact O-N 3.48Å; K404-E408 PolarHBondContact O-N 2.93Å
405L74.6Confident70.6Confident102 Ų102111.6 Ų111.653%0.53457%0.569SS.*Hα-helixtrans-67.2-35.2171.9-71.9165.4000112.2L401 E402 N409L401-L405 WeakPolarHBondContact O-CG 3.35Å; L401-L405 PolarHBondContact O-N 3.45Å; E402-L405 PolarHBondContact O-N 3.45Å; L405-N409 WeakPolarHBondContact O-CB 3.27Å; L405-N409 PolarHBondContact O-N 3.03Å; L405-N409 PolarHBondContact O-ND2 3.28Å
406R69.4Low68Low151 Ų151113.1 Ų113.157%0.5758%0.58SS**Hα-helixtrans-69.4-31.8175.4-64.7-88.6-165.2178.23.5112.1E402 A403 K410E402-R406 HydrophobicContact CG-CG 4.27Å; E402-R406 WeakPolarHBondContact O-CB 3.42Å; E402-R406 WeakPolarHBondContact O-CG 3.36Å; E402-R406 PolarHBondContact O-N 2.91Å; E402-R406 IonicContact OE1-CZ 2.75Å; E402-R406 IonicContact OE1-NE 3.44Å; E402-R406 PolarHBondContact OE1-NE 2.64Å; E402-R406 IonicContact OE1-NH2 2.71Å; E402-R406 PolarHBondContact OE1-NH2 3.36Å; A403-R406 WeakPolarHBondContact O-CB 3.48Å; A403-R406 PolarHBondContact O-N 3.44Å; R406-K410 VanDerWaalsContact O-CE 3.28Å; R406-K410 WeakPolarHBondContact O-CE 3.25Å; R406-K410 VanDerWaalsContact O-CG 3.27Å; R406-K410 WeakPolarHBondContact O-CG 3.36Å; R406-K410 PolarHBondContact O-N 2.86Å
407D63.7Low65Low101 Ų101119.4 Ų119.454%0.5460%0.597SS.*Hα-helixtrans-83.6-34178.6-80.4-10.8000113.1A403 K404 K410 L411A403-D407 WeakPolarHBondContact O-CB 3.47Å; A403-D407 PolarHBondContact O-N 3.09Å; K404-D407 PolarHBondContact O-N 3.48Å; D407-K410 WeakPolarHBondContact O-CB 3.35Å; D407-K410 PolarHBondContact O-N 2.86Å; D407-K410 VanDerWaalsContact O-N 3.12Å; D407-K410 WeakPolarHBondContact OD1-CD 3.04Å; D407-K410 WeakPolarHBondContact OD1-CE 3.33Å; D407-L411 PolarHBondContact O-N 3.49Å
408E59.8Low62Low117 Ų117120.5 Ų120.555%0.54760%0.604SS.*Hα-helixtrans-56-52.2165.7-178.5-179.6-123.400110.4K404 K410 L411K404-E408 PolarHBondContact O-N 2.93Å; E408-K410 PolarHBondContact O-N 3.39Å; E408-L411 PolarHBondContact O-N 2.77Å
409N55.4Low59.9Low93 Ų93120.1 Ų120.150%0.49761%0.61SS.*Hα-helixtrans-60.5-10.3175.8-89.2-92.2000115L405 Q413L405-N409 WeakPolarHBondContact O-CB 3.27Å; L405-N409 PolarHBondContact O-N 3.03Å; L405-N409 PolarHBondContact O-ND2 3.28Å; N409-Q413 WeakPolarHBondContact O-CG 3.19Å; N409-Q413 PolarHBondContact O-NE2 3.11Å
410K53.4Low57.7Low131 Ų131122.7 Ų122.757%0.5762%0.622SS**Hα-helixtrans-93-24.1173-72.9167.2-155-58.80113.1R406 D407 E408R406-K410 VanDerWaalsContact O-CE 3.28Å; R406-K410 WeakPolarHBondContact O-CE 3.25Å; R406-K410 VanDerWaalsContact O-CG 3.27Å; R406-K410 WeakPolarHBondContact O-CG 3.36Å; R406-K410 PolarHBondContact O-N 2.86Å; D407-K410 WeakPolarHBondContact O-CB 3.35Å; D407-K410 PolarHBondContact O-N 2.86Å; D407-K410 VanDerWaalsContact O-N 3.12Å; D407-K410 WeakPolarHBondContact OD1-CD 3.04Å; D407-K410 WeakPolarHBondContact OD1-CE 3.33Å; E408-K410 PolarHBondContact O-N 3.39Å
411L49.7Very low54.6Low141 Ų141122.5 Ų122.574%0.73864%0.637SS**Hα-helixtrans-73.6-45.5-179.9-126.7167000110.2D407 E408 Q413 K414D407-L411 PolarHBondContact O-N 3.49Å; E408-L411 PolarHBondContact O-N 2.77Å; L411-Q413 PolarHBondContact O-N 2.93Å; L411-K414 PolarHBondContact O-N 3.12Å
412D49.3Very low51.8Low118 Ų118121.9 Ų121.963%0.63165%0.645SS**G310 helixtrans-64.7-26.3178.1-68.1-19.4000113.3K414D412-K414 VanDerWaalsContact C-N 3.27Å; D412-K414 PolarHBondContact O-N 3.24Å
413Q43.6Very low49.1Very low155 Ų155122 Ų12272%0.72466%0.657SS**G310 helixtrans-80.14.8-178.5-75.7-173.567.600115.2N409 L411N409-Q413 WeakPolarHBondContact O-CG 3.19Å; N409-Q413 PolarHBondContact O-NE2 3.11Å; L411-Q413 PolarHBondContact O-N 2.93Å
414K37.6Very low46.6Very low198 Ų198128.2 Ų128.286%0.86168%0.682SS**G310 helixtrans-100-2.7177.7-157.5154.9-175.6176.60115.5L411 D412L411-K414 PolarHBondContact O-N 3.12Å; D412-K414 VanDerWaalsContact C-N 3.27Å; D412-K414 PolarHBondContact O-N 3.24Å
415S34.4Very low43.9Very low87 Ų87125 Ų12561%0.60869%0.688SS**SBendtrans-126111.2152.754.20000106.7
416I35.6Very low42.1Very low157 Ų157129.2 Ų129.281%0.80571%0.71SS**  -154.2143.965.3-79.9146.2000111.7
417K30.6Very low40.1Very low188 Ų188126.6 Ų126.682%0.81772%0.721SS**  trans-145.5139.9156.5-94.5-165.3174.3-178.70107.1
418T31.3Very low38.2Very low112 Ų112125.6 Ų125.669%0.68773%0.726SS**  cis-172.3-171.7-716.80000105.4
419P44.9Very low36.7Very low110 Ų110130.9 Ų130.971%0.71474%0.741SS**  -126.1-143.2-72.744.3-24.7000108
420P42Very low35.3Very low109 Ų109131.1 Ų131.171%0.70875%0.746SS**  cis-127.2145.1-2333.9-16.3000115
421S27.6Very low34.1Very low128 Ų128131.3 Ų131.390%0.89575%0.754SS**  -124.9149.3126.2-170.60000108.1
422A33.6Very low33.8Very low82 Ų82129.9 Ų129.968%0.67876%0.755SS**  trans-162.9155-16400000108.9
423S29.8Very low33Very low102 Ų102131.3 Ų131.371%0.71376%0.761SS**  cis-167.2-154.7-12.553.60000106.9
424I29.3Very low32.7Very low175 Ų175128.4 Ų128.490%0.89776%0.758SS**  trans77.2130.5-179.3-46.1162000112.4
425G26.1Very low33.8Very low69 Ų69122.2 Ų122.271%0.71174%0.738SS**  cis179.8153.4-6.800000113.3
426L36.4Very low33.7Very low189 Ų189121.4 Ų121.499%0.9973%0.725SS**  trans-77119.4174.6-88.3155000111.5
427A26.9Very low34.1Very low97 Ų97118 Ų11880%0.80272%0.715SS**  trans-166.3134.6162.100000109
428A25.5Very low35Very low80 Ų80116 Ų11666%0.66171%0.714SS**  cis-152.9169.5-1100000108.5
429R27Very low35.6Very low227 Ų227115.9 Ų115.986%0.85771%0.712SS**  43.9128.2101.7-56.9-179.194167.26.7113.9
430T27.5Very low35.2Very low99 Ų99117.7 Ų117.761%0.60772%0.716SS**  cis-169156.917.110.60000111.5
431D28.1Very low35Very low135 Ų135118.9 Ų118.972%0.72272%0.721SS**  trans45115.1140.9-44.6-20.6000122.1
432S41.9Very low35.2Very low110 Ų110116.9 Ų116.977%0.76971%0.712SS**  trans68.4163.4139.3-45.50000118.1
433I33.6Very low35.3Very low148 Ų148118.3 Ų118.376%0.75972%0.717SS**  cis-147.21669-13.276.4000109.9
434S37Very low35.5Very low94 Ų94120 Ų12066%0.65772%0.723SS**  trans-71.4177.8165-35.60000112.4
435P60.7Low35.5Very low68 Ų68115.7 Ų115.744%0.44271%0.714SS.*  cis-147.2-161.315.540.3-16.1000116.6L525 D526P435-L525 CarbonylContact O-C 3.07Å; P435-D526 PolarHBondContact O-N 2.87Å
436E31.7Very low35.7Very low70 Ų70117.3 Ų117.333%0.32772%0.715SS.*  trans64145.1160.162.4-179.874.200119.9Q522 P523 S524E436-Q522 VanDerWaalsContact CD-NE2 3.3Å; E436-Q522 PolarHBondContact OE1-NE2 3.46Å; E436-Q522 PolarHBondContact OE2-NE2 2.56Å; E436-P523 VanDerWaalsContact OE2-C 3.3Å; E436-P523 WeakPolarHBondContact OE2-CA 3.42Å; E436-S524 PolarHBondContact OE2-N 2.92Å
437S44.2Very low35.3Very low87 Ų87118 Ų11861%0.60871%0.712SS**  cis-173.4142.9-12.554.10000113.4
438D49.5Very low35.5Very low146 Ų146118 Ų11878%0.78171%0.713SS**  trans58.3143.7141-142.615.1000124.6
439V44.8Very low35.7Very low108 Ų108119.4 Ų119.466%0.65572%0.724SS**  trans26.4128.2167.7-74.60000125.6
440D36.3Very low35.8Very low149 Ų149113 Ų11380%0.79772%0.72SS**  trans38.2137132.4-67.9-39000123.7
441T36.6Very low35.9Very low134 Ų134117 Ų11782%0.82273%0.732SS**  137.1135.6128-57.20000114.8
442A33.3Very low36.1Very low85 Ų85115.4 Ų115.470%0.70274%0.737SS**  trans67.9124.7172.700000116.3
443S34.1Very low35.6Very low112 Ų112114 Ų11478%0.78374%0.74SS**  cis7697.938.2-560000115.4
444T34.2Very low35.5Very low137 Ų137110.2 Ų110.284%0.8474%0.738SS**  trans-177.4131.5131.632.10000107
445A31.2Very low35.4Very low85 Ų85115.1 Ų115.170%0.70275%0.747SS**  59132.56300000112.4
446S28.9Very low33.9Very low104 Ų104118.3 Ų118.373%0.72777%0.765SS**  cis-166.3168-7.6-86.20000106.7
447H29.1Very low33.9Very low203 Ų203119.1 Ų119.194%0.9478%0.784SS**  trans-148.2133.9143.9-105.2-70000111.8
448A29.9Very low33.3Very low98 Ų98122 Ų12281%0.8180%0.798SS**  trans-132.6137.817300000109.1
449A30.2Very low32.5Very low108 Ų108118.9 Ų118.989%0.89380%0.8SS**  trans-155.9156.8164.100000107.5
450A30.1Very low31.7Very low93 Ų93117.6 Ų117.677%0.76981%0.809SS**  trans-122.2179.1-170.300000112.2
451E29.3Very low31.5Very low184 Ų184116.8 Ų116.886%0.8681%0.809SS**  trans57.595.2151.4-81.7-76.399.400118.1
452A32.1Very low31.4Very low100 Ų100118 Ų11883%0.82681%0.805SS**  -179.9145.6115.400000110.9
453G31.7Very low31.3Very low81 Ų81122.4 Ų122.484%0.83581%0.809SS**  trans-95.7128.6-177.300000115.4
454G31.7Very low31.6Very low69 Ų69125.6 Ų125.671%0.71180%0.803SS**  trans124156.3132.500000120.2
455K33Very low31.7Very low196 Ų196127.4 Ų127.485%0.85280%0.8SS**  trans82.3135.4152.1-43.4177-161.7177.60119.2
456T30.6Very low31.6Very low135 Ų135128.5 Ų128.583%0.82880%0.802SS**  trans71.3111.1146.545.50000123.1
457A31.1Very low31.8Very low88 Ų88131 Ų13173%0.72781%0.807SS**  93.8117.711200000123.5
458V31.3Very low31.7Very low147 Ų147126.8 Ų126.889%0.89180%0.8SS**  63.9107.4127.1-175.30000121.4
459G32.3Very low31.8Very low81 Ų81126.5 Ų126.584%0.83579%0.792SS**  87.5153.7117.400000120.9
460G29Very low31.9Very low81 Ų81129.5 Ų129.584%0.83579%0.789SS**  trans154.3120166.800000115.8
461V32.9Very low31.8Very low131 Ų131132 Ų13279%0.79479%0.785SS**  trans-131.1135.7177.2172.40000110.6
462Q32.7Very low32.4Very low160 Ų160131.8 Ų131.875%0.74878%0.776SS**  trans179138.2138.4-96.1157.879.500112.5
463K31.9Very low32.3Very low178 Ų178132.8 Ų132.877%0.77476%0.764SS**  79.1121.653.8-132.5-166.2-176.61700111.9
464R40.7Very low32.8Very low179 Ų179137 Ų13768%0.67576%0.759SS**  179.6169.653.7-69.8166.8-90.5-171-9.4111.7
465K36.2Very low32.7Very low175 Ų175139.3 Ų139.376%0.76176%0.764SS**  trans124.5112.6134.2-69.4145.1-175.7178.40118.9
466S29.1Very low32.6Very low107 Ų107137.4 Ų137.475%0.74876%0.763SS**  50.9151.8116.8-52.60000123.7
467L32.5Very low32.4Very low158 Ų158139.2 Ų139.283%0.82776%0.764SS**  cis-174.5162.7-10.9-106.1172.8000110.9
468S28.4Very low32.3Very low114 Ų114140 Ų14080%0.79777%0.765SS**  trans71.3152.8150.71530000119.6
469S30.3Very low32.1Very low91 Ų91138.9 Ų138.964%0.63676%0.759SS**  cis-176.4171.2-16-174.70000111.2
470M33.7Very low32Very low172 Ų172140.9 Ų140.985%0.84776%0.755SS**  trans70.2154158.2-82.5156.258.200119.4
471H27.2Very low31.9Very low145 Ų145142.4 Ų142.467%0.67175%0.753SS**  cis-155.8177.9-9180-96.3000110.8
472R42.2Very low31.8Very low180 Ų180145.3 Ų145.368%0.67975%0.754SS**  trans-60.3178174.7-40.9173.2-179.31802.7114.2
473E29.5Very low31.7Very low120 Ų120143.2 Ų143.256%0.56175%0.753SS**  cis-159.4-166.926.8-152.6142.5177.200115.9
474K42.7Very low31.6Very low170 Ų170140.7 Ų140.774%0.73975%0.752SS**  trans-97.7159-169.2-4389.954-174.10114.9
475S29.4Very low31.1Very low117 Ų117136.3 Ų136.382%0.81875%0.749SS**  trans-164.5154.1137.548.60000114.1
476N30.6Very low30.8Very low156 Ų156130.2 Ų130.283%0.83474%0.736SS**  trans-110.7168.8170.9-63.6-22.7000109.5
477M27.3Very low30.8Very low173 Ų173131.3 Ų131.385%0.85273%0.733SS**  trans-164.4148.3138.4-98.6-91.978.400110.7
478S27.7Very low30.7Very low106 Ų106125.9 Ų125.974%0.74172%0.716SS**  trans-164150.1177.256.50000111.2
479T28.9Very low31.1Very low123 Ų123125.4 Ų125.476%0.75571%0.713SS**  trans-146.9120.8-178.542.10000114.3
480T28.5Very low31.2Very low123 Ų123122.7 Ų122.776%0.75570%0.696SS**  trans50109.3144.357.90000120.5
481S28.4Very low31.4Very low113 Ų113123.7 Ų123.779%0.7969%0.69SS**  77.7141.287.8-65.60000115.4
482K30.3Very low31.5Very low191 Ų191122.8 Ų122.883%0.8369%0.686SS**  cis-16417225.9-133.1172.9-176.1178.60113
483T30.1Very low31.4Very low117 Ų117123.1 Ų123.172%0.71869%0.687SS**  trans65.397.6154.250.40000125.4
484T29.9Very low31.9Very low124 Ų124123.1 Ų123.176%0.76169%0.691SS**  39.7119.6120.453.80000127.1
485S30Very low31.3Very low88 Ų88120.2 Ų120.262%0.61568%0.68SS**  71.5132.6125-49.70000125.6
486G29.9Very low31.8Very low47 Ų47124.7 Ų124.749%0.48568%0.679SS.*  trans155.393.4148.900000123.6H41H41-G486 PolarHBondContact O-N 2.84Å
487N30.3Very low32.3Very low129 Ų129126.8 Ų126.869%0.6968%0.68SS**  trans21.9141.1145.1-66.23.5000127.8P39 P42P39-N487 WeakPolarHBondContact CG-O 3.45Å; P42-N487 WeakPolarHBondContact CD-OD1 3.44Å
488G28.7Very low33.2Very low44 Ų44123 Ų12345%0.45468%0.677SS.*  trans83.3106.4140.700000119.4P36 P39P36-G488 CarbonylContact O-C 3.52Å; P39-G488 WeakPolarHBondContact CD-O 3.36Å
489S37.8Very low34Very low105 Ų105128.3 Ų128.373%0.73469%0.686SS**  83.258.154.1-156.30000115.6P36P36-S489 WeakPolarHBondContact CB-O 3.45Å; P36-S489 WeakPolarHBondContact CG-O 3.18Å; P36-S489 CarbonylContact O-C 3.49Å; P36-S489 WeakPolarHBondContact O-CA 3.22Å; P36-S489 PolarHBondContact O-N 3.35Å
490A32.3Very low34Very low34 Ų34125.8 Ų125.828%0.28169%0.685SS.*  trans-119162.7-166.60000096.9C35 P36 Q37C35-A490 WeakPolarHBondContact O-CB 3.36Å; P36-A490 VanDerWaalsContact C-C 3.43Å; P36-A490 CarbonylContact C-O 3.47Å; P36-A490 HydrophobicContact CB-CB 2.28Å; P36-A490 HydrophobicContact CG-CB 2.29Å; P36-A490 WeakPolarHBondContact O-CA 3.25Å; P36-A490 PolarHBondContact O-N 3.3Å; Q37-A490 VanDerWaalsContact CA-O 3.28Å; Q37-A490 WeakPolarHBondContact CA-O 3.28Å; Q37-A490 WeakPolarHBondContact CB-O 3.23Å; Q37-A490 WeakPolarHBondContact CG-O 3.44Å; Q37-A490 PolarHBondContact N-O 3.28Å
491R37.8Very low34.5Very low192 Ų192131 Ų13173%0.72569%0.691SS**  trans-126.1-175-160-71.9173.5150.8154.2-6.4115C35C35-R491 WeakPolarHBondContact CA-O 3.32Å; C35-R491 WeakPolarHBondContact CB-O 3.35Å; C35-R491 PolarHBondContact SG-O 3.32Å
492E29.4Very low34.8Very low126 Ų126131.2 Ų131.259%0.58969%0.687SS**  trans103.994.7130.6-165.5147.1-147.200122.1
493R40.8Very low34.9Very low187 Ų187128 Ų12871%0.70668%0.683SS**  53.9160.2126.8-56.9-179.866.9108.612.5124E495R493-E495 IonicContact NH2-OE1 2.56Å
494L38.9Very low35Very low121 Ų121130.9 Ų130.963%0.63469%0.689SS**  trans73.4144.3159.7-65.3127.7000117.6
495E31.2Very low35.1Very low109 Ų109129.4 Ų129.451%0.50969%0.689SS.*  cis174.3159.1-38.3-104.7171-118.900107.5R493R493-E495 IonicContact NH2-OE1 2.56Å
496R38.4Very low35.3Very low210 Ų210132 Ų13279%0.79270%0.702SS**  trans77.184.3159.6-30.3-159.3-179.1149.46.2121.8
497K42.4Very low35.2Very low200 Ų200133 Ų13387%0.8771%0.711SS**  5694.4108.9-163.696.883.4175.20121.6
498A45.3Very low35.3Very low94 Ų94137.9 Ų137.978%0.77772%0.72SS**  61.4146.3128.400000125.4
499K44.6Very low35.3Very low218 Ų218140 Ų14095%0.94872%0.724SS**  148.7150106.4-167.7163.6-176.5178.70116.4
500G29.1Very low35Very low70 Ų70145.3 Ų145.372%0.72273%0.728SS**  trans148.5150.4164.800000112.5
501R39.4Very low34.7Very low232 Ų232148.6 Ų148.688%0.87575%0.749SS**  cis-159165.2-10.8-176.6174.4177-126.5-0.1109.6
502T33.7Very low34.2Very low117 Ų117143.6 Ų143.672%0.71875%0.749SS**  trans-70.7172.6172.441.50000113.7
503V32.5Very low34.3Very low124 Ų124146.1 Ų146.175%0.75276%0.76SS**  -157.517453.1171.80000112.5
504E33.2Very low34.6Very low178 Ų178142.9 Ų142.983%0.83276%0.764SS**  trans-69.6169.8-168.4-42.3-178.9133.900120.5
505A31.5Very low34Very low93 Ų93141 Ų14177%0.76977%0.773SS**  -171120.4122.300000116.5
506T33.4Very low33.9Very low143 Ų143140.6 Ų140.688%0.87779%0.789SS**  trans31.2115.6142.3-47.30000125.2
507G29.3Very low33.4Very low66 Ų66135.7 Ų135.768%0.6879%0.787SS**  110.5126113.200000124
508R32.3Very low32.8Very low233 Ų233131.2 Ų131.288%0.87978%0.781SS**  trans65.2154.3158.3-69.5-175.8138.6-161.6-0.7117.9
509T28.6Very low32.1Very low88 Ų88137.8 Ų137.854%0.5479%0.785SS.*  cis-162.7149.6-8.1160000111.1
510R30.3Very low31.2Very low216 Ų216131.5 Ų131.582%0.81577%0.774SS**  trans46.3150.4141.3-66.7-177.6-63.3-174.33121.5
511S27.2Very low31.3Very low103 Ų103139.7 Ų139.772%0.7278%0.783SS**  cis-179.4149.3-14.851.40000111.9
512A27.7Very low31Very low87 Ų87134.9 Ų134.972%0.71977%0.771SS**  trans66.7120.5150.500000122.4
513Q29.5Very low31.3Very low179 Ų179134.5 Ų134.584%0.83677%0.771SS**  36.9160.8113.1-66.6-68.1-20.200121.6
514P47.3Very low31Very low119 Ų119132.1 Ų132.177%0.77376%0.759SS**  cis-130.7-171.6-14.438.6-20.5000113.6
515G26.2Very low31Very low81 Ų81130 Ų13084%0.83575%0.753SS**  trans175.1145.2166.200000115.1
516A29.2Very low31Very low101 Ų101130.5 Ų130.584%0.83574%0.743SS**  trans-127.4150.3-165.800000116.2
517S28.3Very low31.2Very low108 Ų108129.4 Ų129.476%0.75573%0.731SS**  trans67.4124.3139.4-151.30000123.6
518S30.2Very low31.7Very low105 Ų105132.2 Ų132.273%0.73474%0.735SS**  trans88.6132.8136.380.20000123
519R30.8Very low31.7Very low232 Ų232128.6 Ų128.688%0.87573%0.733SS**  131.594.8108.5-160.9163.3-168.8152.14.9119.5
520A25.5Very low32.1Very low87 Ų87131 Ų13172%0.71974%0.743SS**  74.9158.1129.600000124.5
521R30.5Very low32.4Very low242 Ų242126.2 Ų126.291%0.91373%0.733SS**  trans90.6116.6160.9-62.3179.3178.8-90.13.2119.6
522Q34.9Very low32.7Very low130 Ų130128 Ų12861%0.60773%0.73SS**  trans-90.7172155-63.2-95-132.300108E436E436-Q522 VanDerWaalsContact CD-NE2 3.3Å; E436-Q522 PolarHBondContact OE1-NE2 3.46Å; E436-Q522 PolarHBondContact OE2-NE2 2.56Å
523P38.7Very low32.7Very low110 Ų110129.9 Ų129.971%0.71473%0.733SS**  cis-148.9168.837.843.6-23.2000120E436E436-P523 VanDerWaalsContact OE2-C 3.3Å; E436-P523 WeakPolarHBondContact OE2-CA 3.42Å
524S26.8Very low32.6Very low74 Ų74125.8 Ų125.852%0.51772%0.724SS.*  152.3151.5104.556.40000117.7E436E436-S524 PolarHBondContact OE2-N 2.92Å
525L32.5Very low31.9Very low134 Ų134124.3 Ų124.370%0.70272%0.717SS**  trans96.265.6150.5-81.5159.2000122.8P435P435-L525 CarbonylContact O-C 3.07Å
526D32Very low32.3Very low103 Ų103129.2 Ų129.255%0.55172%0.715SS**  trans4.9135.5132.3-167.427.4000121.2P435P435-D526 PolarHBondContact O-N 2.87Å
527L38.5Very low33.4Very low119 Ų119130.1 Ų130.162%0.62371%0.712SS**  165.3116.5118.2-87.4173.1000115.8
528T38.3Very low33.4Very low125 Ų125132 Ų13277%0.76771%0.713SS**  trans60.5163.714958.80000119.7
529D32.9Very low33.4Very low157 Ų157131.4 Ų131.484%0.8471%0.709SS**  cis-138.41796.6-161.212.5000111.5
530D36.3Very low33.4Very low140 Ų140127.2 Ų127.275%0.74970%0.703SS**  trans-107163.9-152.9-151.2-3.8000117.8
531D37.4Very low33.9Very low115 Ų115130.1 Ų130.162%0.61571%0.705SS**  trans84.7148.7138.5-139.87.5000124.4
532Q32.5Very low34Very low139 Ų139126.1 Ų126.165%0.6570%0.701SS**  trans52.3108.2165.3-49-56.1-26.300120.8
533T29.2Very low33.7Very low128 Ų128126.3 Ų126.379%0.78572%0.717SS**  172.1133.695.335.30000116.4
534S27.6Very low33.5Very low92 Ų92126.5 Ų126.564%0.64372%0.721SS**  trans42.798.3141.370.80000123.8
535S32.8Very low33.7Very low89 Ų89129 Ų12962%0.62273%0.729SS**  64170.7114.5660000124.2
536F34.6Very low33.7Very low184 Ų184129.8 Ų129.881%0.80773%0.729SS**  trans83.6165168.8-47.9-61.5000117.9
537P51.3Low33.6Very low119 Ų119132.2 Ų132.277%0.77374%0.737SS**  cis-102.9-145.4-13.818.65.3000110.2
538I27.9Very low33.4Very low148 Ų148131.2 Ų131.276%0.75974%0.736SS**  cis-147128.65.8-55.6167000105.2
539S31.3Very low32.9Very low93 Ų93135.2 Ų135.265%0.6574%0.738SS**  75.4109.766.4-115.60000117.4
540D30.5Very low32.6Very low143 Ų143132.9 Ų132.977%0.76573%0.734SS**  trans62.2153.8145.5-45-55.7000119.1
541I34.9Very low32Very low148 Ų148129.6 Ų129.676%0.75973%0.733SS**  -161.2142.853.4-80.6176.3000111.9
542L33.9Very low31.9Very low158 Ų158129.1 Ų129.183%0.82774%0.736SS**  trans18.2133.4152.5-52.8171.1000122.2
543S27.3Very low31.7Very low135 Ų135130.7 Ų130.794%0.94475%0.748SS**  -170.2161.1128.5-86.60000114
544S35.4Very low31.8Very low113 Ų113127.6 Ų127.679%0.7974%0.742SS**  trans-153.3128.3177.2164.30000109.5
545D30.9Very low31.8Very low128 Ų128130.6 Ų130.668%0.68475%0.751SS**  trans-170.4170.3132-136.7-3.8000115.7
546Q31.8Very low31.4Very low150 Ų150130.8 Ų130.870%0.70175%0.752SS**  trans-4.9156.9149.7-70.8174.295.100120.5
547E31.3Very low31.1Very low154 Ų154127.1 Ų127.172%0.7275%0.745SS**  cis-160.2166.20.4-115.3-92.77900113.6
548T33.6Very low30Very low98 Ų98128.5 Ų128.560%0.60174%0.74SS**  trans-42.1135.5175-56.40000119.1
549Y27Very low29.8Very low209 Ų209131 Ų13182%0.8274%0.74SS**  179.6131.1117.6-116.8-88.3000116.9
550S26.5Very low29.7Very low108 Ų108137.4 Ų137.476%0.75575%0.75SS**  trans54.8136.2160.148.20000120.2
551G24Very low29.5Very low70 Ų70133.7 Ų133.772%0.72275%0.746SS**  cis89.8145.99.500000113.8
552P35.7Very low28.9Very low105 Ų105131.5 Ų131.568%0.68274%0.744SS**  cis-137.8-169.63.641.3-21.5000115.6
553L29.1Very low28.5Very low172 Ų172132 Ų13290%0.90174%0.742SS**  trans78.9137.4170.6-52.8152.9000116.2
554G30.7Very low28.5Very low64 Ų64132.8 Ų132.866%0.6674%0.735SS**  cis159.1156.5-12.200000115.3
555N26.5Very low28.2Very low155 Ų155135.8 Ų135.883%0.82973%0.734SS**  trans72116.3167.2-59-1.2000117.2
556S26.3Very low28.2Very low92 Ų92136.2 Ų136.264%0.64374%0.736SS**  66.1116.388.6-168.50000114.2
557V28.3Very low28Very low108 Ų108137 Ų13766%0.65574%0.74SS**  -168.7139.485.8157.70000106.3
558H26.5Very low27.8Very low147 Ų147134.9 Ų134.968%0.68174%0.742SS**  cis77.974.640.6-145.899.9000117.4
559R25.3Very low27.5Very low202 Ų202139.2 Ų139.276%0.76275%0.752SS**  trans62.9103.2149.5-171.1-146.6-66.7-101.62.6119.7
560R28.2Very low27.6Very low226 Ų226137.7 Ų137.785%0.85376%0.757SS**  -170.5154.8128.4-119.4171.4-87.8-117.9-5.7109.6
561G25.7Very low27.6Very low65 Ų65139.5 Ų139.567%0.6776%0.758SS**  cis106.8125.4-000000113.1
562S23.4Very low27.8Very low103 Ų103140.7 Ų140.772%0.7276%0.756SS**SBendtrans-155.7123.1-172.9169.80000106.6
563E25.3Very low27.6Very low169 Ų169146.6 Ų146.679%0.7976%0.764SS**  cis-128.9141.1-9-62.6-60.4136.400110.2
564D26.8Very low27.6Very low151 Ų151143.1 Ų143.181%0.80776%0.755SS**  trans-161.3156.9163.917443.9000110.1
565F29.4Very low27.5Very low175 Ų175145 Ų14577%0.76876%0.757SS**  trans-147.2-43.3-153.7-151.6-128.1000119.6H567F565-H567 PolarHBondContact O-N 3.22Å
566L30.2Very low27.8Very low137 Ų137146 Ų14672%0.71776%0.755SS**  trans-100.399.6-152.2-62179.3000118.5
567H28Very low27.9Very low168 Ų168147.6 Ų147.678%0.77876%0.761SS**  trans64.2178.2131.1-68.8-70.6000123.4F565F565-H567 PolarHBondContact O-N 3.22Å
568S26.6Very low27.9Very low109 Ų109147.3 Ų147.376%0.76276%0.763SS**  trans-112.3162.9-144.152.70000116.3
569K27.5Very low28Very low189 Ų189147.3 Ų147.382%0.82277%0.765SS**  trans-48145.7171-57.2-178.2176.3-169.60115
570L29.8Very low28.1Very low177 Ų177142 Ų14293%0.92776%0.759SS**  -144.7173.9127.6-83.5-169.6000109.5
571D26Very low28.2Very low145 Ų145132.9 Ų132.978%0.77574%0.736SS**  trans-104.7161-155.5-89.9-75.3000117.3
572S28.4Very low28.2Very low96 Ų96133.6 Ų133.667%0.67174%0.735SS**  trans83.2110.9145.3-760000124
573R30.8Very low28.6Very low228 Ų228133.6 Ų133.686%0.8674%0.735SS**  82130.6121.9-63.3173.873.6-175.73.7122.6
574S29.4Very low28.7Very low100 Ų100134.8 Ų134.870%0.69974%0.738SS**  trans87.2102.1139.1-110.70000123.3
575S29.7Very low28.9Very low102 Ų102134.2 Ų134.271%0.71374%0.74SS**  47.791.1120.1640000122.3
576K32.5Very low28.8Very low178 Ų178129.6 Ų129.677%0.77473%0.729SS**  60.7101.1111.9-172.9161.3-177.7170.30121.9
577T28.8Very low29Very low125 Ų125133 Ų13377%0.76773%0.732SS**  trans64.1157141.762.80000119.5
578S27.3Very low29.1Very low101 Ų101131.1 Ų131.171%0.70673%0.728SS**  cis-159.5152.123.358.40000116.2
579M29Very low29.4Very low148 Ų148129 Ų12973%0.72971%0.708SS**  trans67.7121.4144.3-71.9-67.2-146.900124.3P207P207-M579 HydrophobicContact CG-CE 4.39Å; P207-M579 HydrophobicContact CG-SD 3.62Å
580S27.7Very low29.5Very low90 Ų90123.8 Ų123.863%0.62969%0.686SS**  trans73.7147.7133-159.60000122.7S210S210-S580 CarbonylContact O-C 3.55Å
581G29Very low29.6Very low35 Ų35118.3 Ų118.336%0.36167%0.666SS.*  trans137.846.3164.700000118.7S210S210-G581 CarbonylContact C-O 3.45Å; S210-G581 WeakPolarHBondContact CA-O 3.45Å; S210-G581 PolarHBondContact N-O 3.22Å; S210-G581 VanDerWaalsContact N-O 3.11Å; S210-G581 CarbonylContact O-C 3.37Å; S210-G581 WeakPolarHBondContact O-CA 3.11Å; S210-G581 PolarHBondContact O-N 3.49Å; S210-G581 PolarHBondContact OG-O 2.9Å
582A27.6Very low29.7Very low79 Ų79115.5 Ų115.565%0.65366%0.664SS**  trans-40.2141.7-172.700000119.7
583S30.5Very low29.9Very low104 Ų104117.1 Ų117.173%0.72767%0.67SS**  trans-163.5157.8161.4-89.50000112.7S210S210-S583 PolarHBondContact OG-N 2.9Å
584K28.4Very low29.9Very low194 Ų194110.7 Ų110.784%0.84367%0.665SS**  trans-118.4-172.1-170.1-67.1174178.6169.50111.4
585T30.2Very low30.1Very low138 Ų138111.8 Ų111.885%0.84767%0.673SS**  trans86.2139.2169.179.50000115.2
586S27.2Very low30.2Very low78 Ų78112.7 Ų112.755%0.54568%0.679SS.*  cis-161.7167.3-13.454.50000113.7
587R34Very low30.4Very low209 Ų209112.5 Ų112.579%0.78969%0.686SS**  trans74.5103.6149.8-78.4170-73.4171-4.4120.2
588N30.9Very low30.5Very low128 Ų128113.7 Ų113.768%0.68469%0.687SS**  105.2115.3113.1-794.2000121.7
589L32.3Very low31Very low64 Ų64117.5 Ų117.534%0.33569%0.691SS.*  trans67.2100.6132.6-54.4169.2000116.7K723 L724L589-K723 HydrophobicContact CB-CG 4.29Å; L589-K723 HydrophobicContact CD1-CD 3.94Å; L589-K723 HydrophobicContact CD1-CG 3.89Å; L589-K723 HydrophobicContact CG-CG 4.46Å; L589-L724 HydrophobicContact CD2-CD1 3.88Å
590Q30.2Very low31.2Very low80 Ų80118.8 Ų118.837%0.37470%0.696SS.*  59.6114.186.9-66.3174.3-3600111.2S722 K723 L724 N725Q590-S722 CarbonylContact O-C 3.42Å; Q590-S722 WeakPolarHBondContact O-CA 3.5Å; Q590-S722 PolarHBondContact O-OG 3.38Å; Q590-S722 VanDerWaalsContact O-OG 3.07Å; Q590-K723 PolarHBondContact O-N 2.95Å; Q590-L724 VanDerWaalsContact OE1-CA 3.24Å; Q590-N725 PolarHBondContact NE2-O 3.43Å; Q590-N725 VanDerWaalsContact OE1-N 3.14Å
591A30.9Very low31.4Very low62 Ų62118.8 Ų118.851%0.51270%0.701SS.*  65.9152.679.600000113.6S722 K723A591-S722 CarbonylContact O-C 3.46Å; A591-S722 WeakPolarHBondContact O-CA 3.06Å; A591-K723 CarbonylContact O-C 3.02Å; A591-K723 PolarHBondContact O-N 3.15Å
592A29.5Very low31.6Very low87 Ų87122.8 Ų122.872%0.71972%0.723SS**  cis-167134.1-30.100000111
593T31.8Very low32.4Very low130 Ų130126.6 Ų126.680%0.79873%0.732SS**  trans-144.9148.1165.937.50000111.9
594A31.1Very low33Very low92 Ų92127.4 Ų127.476%0.7673%0.734SS**  trans48.8104.6165.200000119.9
595S33.2Very low34.1Very low123 Ų123126.2 Ų126.286%0.8673%0.732SS**  trans-16.9120.3153.353.40000119.4
596S33Very low35.3Very low121 Ų121124.9 Ų124.985%0.84673%0.725SS**  trans-158.8134130.552.50000110.2
597L35.5Very low37.2Very low174 Ų174132.2 Ų132.291%0.91174%0.741SS**PPolyproline II helixtrans-91.4141.1-178.7-173.959.8000111.2
598N30.3Very low39Very low150 Ų150125.7 Ų125.780%0.80273%0.726SS**PPolyproline II helixtrans-72.4139-168.1-165.48.9000113.2
599K38.3Very low41.2Very low181 Ų181124 Ų12479%0.78772%0.721SS**PPolyproline II helixtrans-100.3121.4171-75.3-175.6177.5-178.90110.5
600Q34.6Very low43.6Very low176 Ų176130.9 Ų130.982%0.82274%0.742SS**  trans-155.5147.8142.4-93-38.6-69.300113.7
601A30.7Very low45.7Very low89 Ų89129.9 Ų129.974%0.73675%0.747SS**  trans48.374.4151.200000119.3
602S33.4Very low48Very low120 Ų120129 Ų12984%0.83974%0.737SS**PPolyproline II helixtrans-88.1141.4140.954.70000109.8
603L45.1Very low50.6Low159 Ų159129.2 Ų129.283%0.83273%0.726SS**PPolyproline II helixtrans-71.8155.9176.9-74165.7000111Q605L603-Q605 PolarHBondContact O-N 3.38Å; L603-Q605 VanDerWaalsContact O-N 3.11Å
604P41.6Very low53Low120 Ų120126.4 Ų126.478%0.77971%0.706SS**PPolyproline II helixtrans-60.9117.1-178.523.9-34.2000111.8
605Q52Low55.3Low170 Ų170128.5 Ų128.579%0.79469%0.694SS**PPolyproline II helixtrans-53.9132.5170.9-79.3-79.60.300110.3L603 R607L603-Q605 PolarHBondContact O-N 3.38Å; L603-Q605 VanDerWaalsContact O-N 3.11Å; Q605-R607 PolarHBondContact O-N 2.95Å
606P55.3Low57.5Low109 Ų109128.2 Ų128.271%0.70867%0.674SS**PPolyproline II helixtrans-64.9123.9177.526.7-33.5000109.9
607R66.9Low59.3Low233 Ų233126.2 Ų126.288%0.87967%0.665SS**PPolyproline II helixtrans-50.7128.9179.9-69.4178.7177.2146-2.4110.2Q605 T609Q605-R607 PolarHBondContact O-N 2.95Å; R607-T609 PolarHBondContact O-N 3.49Å; R607-T609 VanDerWaalsContact O-N 3.1Å
608P72.6Confident61.2Low72 Ų72127.4 Ų127.447%0.46866%0.657SS.*PPolyproline II helixtrans-61.4118.6-17623.8-33.3000110
609T77.6Confident63.2Low93 Ų93126.3 Ų126.357%0.57165%0.651SS**PPolyproline II helixtrans-62.1154.3-179.256.20000111.1R607 A611 S612 L613R607-T609 PolarHBondContact O-N 3.49Å; R607-T609 VanDerWaalsContact O-N 3.1Å; T609-A611 PolarHBondContact O-N 2.75Å; T609-S612 WeakPolarHBondContact O-CA 3.12Å; T609-S612 WeakPolarHBondContact O-CB 3.44Å; T609-S612 PolarHBondContact O-N 2.82Å; T609-L613 PolarHBondContact O-N 3.1Å
610R81.8Confident64.4Low208 Ų208120.3 Ų120.379%0.78564%0.64SS**Hα-helixtrans-51.7-30175.3-174.8174.9175.9178.6-0.9112.6L614R610-L614 HydrophobicContact CG-CD1 3.94Å; R610-L614 HydrophobicContact CG-CG 4.35Å; R610-L614 VanDerWaalsContact O-CB 3.28Å; R610-L614 WeakPolarHBondContact O-CB 3.45Å; R610-L614 WeakPolarHBondContact O-CG 3.39Å; R610-L614 PolarHBondContact O-N 2.98Å
611A74.6Confident64.9Low59 Ų59117.2 Ų117.249%0.48863%0.629SS.*Hα-helixtrans-69.7-38.8173.400000113.5T609 R615T609-A611 PolarHBondContact O-N 2.75Å; A611-R615 WeakPolarHBondContact O-CB 3.45Å; A611-R615 WeakPolarHBondContact O-CG 3.29Å; A611-R615 PolarHBondContact O-N 3.16Å
612S79.5Confident66.2Low43 Ų43119.8 Ų119.830%0.30164%0.636SS.*Hα-helixtrans-65.1-46.4171.5177.10000111T609 L614 R615 R616T609-S612 WeakPolarHBondContact O-CA 3.12Å; T609-S612 WeakPolarHBondContact O-CB 3.44Å; T609-S612 PolarHBondContact O-N 2.82Å; S612-L614 PolarHBondContact O-N 3.25Å; S612-R615 PolarHBondContact O-N 2.79Å; S612-R615 VanDerWaalsContact O-N 3.11Å; S612-R616 PolarHBondContact O-N 2.96Å; S612-R616 PolarHBondContact OG-NH1 3.44Å; S612-R616 VanDerWaalsContact OG-NH1 3.17Å
613L82.9Confident66.6Low91 Ų91118.5 Ų118.548%0.47663%0.627SS.*Hα-helixtrans-59.1-45177.7-121.8158.2000112T609 R616 A617T609-L613 PolarHBondContact O-N 3.1Å; L613-R616 PolarHBondContact O-N 3.41Å; L613-A617 WeakPolarHBondContact O-CB 3.41Å; L613-A617 PolarHBondContact O-N 3Å
614L83.3Confident66.2Low72 Ų72118.5 Ų118.538%0.37763%0.628SS.*Hα-helixtrans-72.6-21.5175.3-71.4171.6000114.2R610 S612 R618R610-L614 HydrophobicContact CG-CD1 3.94Å; R610-L614 HydrophobicContact CG-CG 4.35Å; R610-L614 VanDerWaalsContact O-CB 3.28Å; R610-L614 WeakPolarHBondContact O-CB 3.45Å; R610-L614 WeakPolarHBondContact O-CG 3.39Å; R610-L614 PolarHBondContact O-N 2.98Å; S612-L614 PolarHBondContact O-N 3.25Å; L614-R618 WeakPolarHBondContact O-CB 3.42Å; L614-R618 VanDerWaalsContact O-CD 3.31Å; L614-R618 WeakPolarHBondContact O-CD 3.08Å; L614-R618 WeakPolarHBondContact O-CG 3.47Å; L614-R618 PolarHBondContact O-N 2.98Å
615R79.2Confident66.5Low136 Ų136119.1 Ų119.151%0.51363%0.629SS.*Hα-helixtrans-73.3-48.5169.7-81.1176.9-178.4170.7-2.8110.7A611 S612 A617 R618 L619A611-R615 WeakPolarHBondContact O-CB 3.45Å; A611-R615 WeakPolarHBondContact O-CG 3.29Å; A611-R615 PolarHBondContact O-N 3.16Å; S612-R615 PolarHBondContact O-N 2.79Å; S612-R615 VanDerWaalsContact O-N 3.11Å; R615-A617 VanDerWaalsContact C-N 3.33Å; R615-A617 PolarHBondContact O-N 3.1Å; R615-R618 PolarHBondContact O-N 3.06Å; R615-L619 PolarHBondContact O-N 3.42Å
616R79.4Confident65.8Low116 Ų116117.7 Ų117.744%0.43863%0.628SS.*Hα-helixtrans-57.4-46176.1-63.2-162.8-54.8-98.213.8111.5S612 L613 R618 L619 G620S612-R616 PolarHBondContact O-N 2.96Å; S612-R616 PolarHBondContact OG-NH1 3.44Å; S612-R616 VanDerWaalsContact OG-NH1 3.17Å; L613-R616 PolarHBondContact O-N 3.41Å; R616-R618 PolarHBondContact O-N 2.95Å; R616-R618 VanDerWaalsContact O-N 3.15Å; R616-L619 PolarHBondContact O-N 3.09Å; R616-G620 PolarHBondContact O-N 3.31Å
617A70.3Confident64.9Low80 Ų80120.8 Ų120.866%0.66164%0.637SS**Hα-helixtrans-65.5-12.9176.500000115.2L613 R615L613-A617 WeakPolarHBondContact O-CB 3.41Å; L613-A617 PolarHBondContact O-N 3Å; R615-A617 VanDerWaalsContact C-N 3.33Å; R615-A617 PolarHBondContact O-N 3.1Å
618R75.3Confident63.6Low199 Ų199114.1 Ų114.175%0.75163%0.632SS**Hα-helixtrans-102.7-27.7175.7-76.5172.7-179.8151.3-5.3113.7L614 R615 R616L614-R618 WeakPolarHBondContact O-CB 3.42Å; L614-R618 VanDerWaalsContact O-CD 3.31Å; L614-R618 WeakPolarHBondContact O-CD 3.08Å; L614-R618 WeakPolarHBondContact O-CG 3.47Å; L614-R618 PolarHBondContact O-N 2.98Å; R615-R618 PolarHBondContact O-N 3.06Å; R616-R618 PolarHBondContact O-N 2.95Å; R616-R618 VanDerWaalsContact O-N 3.15Å
619L72.4Confident61.8Low127 Ų127118.1 Ų118.167%0.66565%0.649SS**Hα-helixtrans-84.4-15.6178.2-70.8169.4000112.7R615 R616 D621R615-L619 PolarHBondContact O-N 3.42Å; R616-L619 PolarHBondContact O-N 3.09Å; L619-D621 VanDerWaalsContact C-N 3.25Å; L619-D621 PolarHBondContact O-N 3.1Å
620G63.8Low59.8Low54 Ų54117.7 Ų117.756%0.55766%0.655SS**  trans76.77.1174.700000114.8R616 T622R616-G620 PolarHBondContact O-N 3.31Å; G620-T622 PolarHBondContact O-N 3.32Å
621D45.2Very low57.8Low112 Ų112113.7 Ų113.760%0.59965%0.649SS**  trans-61.591178.5-78.6-49.1000112.2L619L619-D621 VanDerWaalsContact C-N 3.25Å; L619-D621 PolarHBondContact O-N 3.1Å
622T58.7Low56.2Low142 Ų142116.9 Ų116.987%0.87165%0.649SS**  trans-96.484.1169.356.10000110.2G620G620-T622 PolarHBondContact O-N 3.32Å
623S42.2Very low54.1Low94 Ų94120.1 Ų120.166%0.65767%0.666SS**  trans-150.266.1175.644.80000111.3
624D37Very low51.9Low159 Ų159121.7 Ų121.785%0.8569%0.685SS**  trans-92.4134.6153.8-164.5-1.9000108.1
625T47Very low49.5Very low132 Ų132124.7 Ų124.781%0.8171%0.706SS**  trans-13376.9-17858.90000110.7
626D37.1Very low47.2Very low141 Ų141122.7 Ų122.775%0.75472%0.719SS**  trans-144.1150.1151-154.4-3.4000111.2
627L36.6Very low45Very low173 Ų173122.1 Ų122.191%0.90673%0.732SS**  trans-124.496.3-179.7-84.6173.1000109.6
628A39.4Very low43.2Very low93 Ų93126.5 Ų126.577%0.76974%0.739SS**  trans-129.683.6174.900000111.3
629D34.6Very low41.1Very low156 Ų156123.8 Ų123.883%0.83475%0.745SS**  trans-46.8139.1167.4174.624.6000114.2
630A35.2Very low39.2Very low85 Ų85123.1 Ų123.170%0.70275%0.75SS**  trans-167.498.6147.900000112.7R632A630-R632 PolarHBondContact O-N 2.94Å
631D41.1Very low37.7Very low123 Ų123126.7 Ų126.766%0.65876%0.762SS**  trans-62119.9162161.338.8000111.7V633D631-V633 PolarHBondContact OD1-N 3.4Å
632R40.2Very low37.1Very low127 Ų127127.2 Ų127.248%0.47977%0.769SS.*  trans-139.189.4167.1-75.5-65.286.7177.2-1.1112.5A630A630-R632 PolarHBondContact O-N 2.94Å
633V34.8Very low35.6Very low110 Ų110125.4 Ų125.467%0.66776%0.762SS**  trans63.9122.6143-56.90000120.3D631D631-V633 PolarHBondContact OD1-N 3.4Å
634S38.3Very low35.1Very low125 Ų125126.3 Ų126.387%0.87477%0.768SS**  trans-72.9138.5167.9-43.20000112.6
635V31.2Very low34.8Very low135 Ų135124.8 Ų124.882%0.81877%0.765SS**  trans-140148.5160.4-175.80000108.7
636A31.6Very low34.1Very low94 Ų94123.6 Ų123.678%0.77776%0.762SS**  trans64.475.1171.100000117.7
637S32.6Very low34.1Very low103 Ų103126.4 Ų126.472%0.7277%0.768SS**  -60.6156.9125.6-166.30000107.4
638E32.3Very low34.8Very low173 Ų173123.9 Ų123.981%0.80876%0.761SS**  -168.3148.355-70.9171.2170.700110.8
639V32Very low35.1Very low142 Ų142125.2 Ų125.286%0.86176%0.762SS**  -160.6131.1122.31370000107.3
640S33.4Very low35.5Very low112 Ų112124 Ų12478%0.78377%0.766SS**  trans-127.3137.6-178.5-67.80000111.4
641T31.4Very low35.6Very low130 Ų130123.4 Ų123.480%0.79877%0.769SS**  trans-141.3114.516453.20000107.4
642T32.5Very low35.9Very low123 Ų123128.6 Ų128.676%0.75578%0.779SS**  cis-148152.94.552.10000112.2
643S28.3Very low36.7Very low104 Ų104132.5 Ų132.573%0.72780%0.799SS**  18.1139.9128.2-46.10000119.5
644S30.1Very low37.8Very low112 Ų112130.8 Ų130.878%0.78380%0.804SS**  cis-171.11531.9-93.90000111.2
645T31Very low39Very low128 Ų128129.9 Ų129.979%0.78579%0.788SS**  168.5149.2120.5-165.90000114.5
646S31.6Very low40.4Very low107 Ų107126.8 Ų126.875%0.74877%0.772SS**  trans46.7140160.259.80000123.7
647K37.8Very low42.2Very low200 Ų200132.4 Ų132.487%0.8777%0.773SS**  trans-129.6-179.3170.5-65.9-179.8178.8176.50108.3
648P51.7Low43.9Very low119 Ų119133.9 Ų133.977%0.77377%0.772SS**  -118.9-159.8-6443.3-27.5000109
649P46.2Very low45.6Very low121 Ų121129.2 Ų129.279%0.78675%0.753SS**  -143.6177.159.238.7-17.4000116.6
650S42.2Very low47.4Very low130 Ų130127.2 Ų127.291%0.90974%0.736SS**  trans-27.4127.9170.5-174.60000117.9
651G38.3Very low48.9Very low74 Ų74126.9 Ų126.976%0.76373%0.725SS**  trans-161.6112.7175.600000114.8
652R46.6Very low50.5Low232 Ų232124.4 Ų124.488%0.87572%0.718SS**  trans-39.9142-179.4-63.1169.5173.8-155.7-4117.8
653K57.5Low52.2Low208 Ų208123.8 Ų123.890%0.90471%0.706SS**  trans53.2104.9142-64.2-178.9177-172.80118.4
654G57Low53.5Low75 Ų75124.4 Ų124.477%0.77371%0.708SS**  trans-156.8131.9157.400000111.1
655M62.9Low54.7Low106 Ų106128.3 Ų128.352%0.52271%0.705SS.*  trans-69.6144.5164.724.9170.350.600109.3D659 L660M655-D659 HydrophobicContact CB-CB 4.21Å; M655-D659 WeakPolarHBondContact CB-OD2 3.45Å; M655-L660 HydrophobicContact CB-CD1 4.02Å; M655-L660 HydrophobicContact CG-CD1 3.61Å; M655-L660 HydrophobicContact SD-CD1 3.74Å; M655-L660 HydrophobicContact SD-CG 4.46Å
656S62.7Low55.8Low69 Ų69133.3 Ų133.348%0.48371%0.71SS.*  trans-63.1153.2-175.9179.20000111.6L658 D659 L660S656-L658 PolarHBondContact O-N 2.89Å; S656-L658 VanDerWaalsContact O-N 3.12Å; S656-L658 PolarHBondContact OG-N 3.14Å; S656-D659 WeakPolarHBondContact O-CA 3.24Å; S656-D659 VanDerWaalsContact O-CB 3.32Å; S656-D659 WeakPolarHBondContact O-CB 3.32Å; S656-D659 PolarHBondContact O-N 3.46Å; S656-L660 WeakPolarHBondContact O-CD1 3.3Å; S656-L660 PolarHBondContact O-N 2.86Å
657R68Low56Low213 Ų213135.8 Ų135.880%0.80472%0.715SS**Hα-helixtrans-57.4-26.4172179.9171.2169.5159.4-4112.4L661R657-L661 WeakPolarHBondContact O-CD1 3.34Å; R657-L661 WeakPolarHBondContact O-CG 3.38Å; R657-L661 PolarHBondContact O-N 2.85Å
658L69.6Low56.2Low134 Ų134138 Ų13870%0.70272%0.717SS**Hα-helixtrans-72.3-37.6172.9-59.5176.4000112.2S656 L661 A662S656-L658 PolarHBondContact O-N 2.89Å; S656-L658 VanDerWaalsContact O-N 3.12Å; S656-L658 PolarHBondContact OG-N 3.14Å; L658-L661 PolarHBondContact O-N 2.97Å; L658-A662 PolarHBondContact O-N 2.84Å
659D67.8Low55.4Low75 Ų75138.9 Ų138.940%0.40172%0.72SS.*Hα-helixtrans-69.5-39.8178-17025.2000111M655 S656 L661 A662 Q663M655-D659 HydrophobicContact CB-CB 4.21Å; M655-D659 WeakPolarHBondContact CB-OD2 3.45Å; S656-D659 WeakPolarHBondContact O-CA 3.24Å; S656-D659 VanDerWaalsContact O-CB 3.32Å; S656-D659 WeakPolarHBondContact O-CB 3.32Å; S656-D659 PolarHBondContact O-N 3.46Å; D659-L661 PolarHBondContact O-N 3.44Å; D659-A662 PolarHBondContact O-N 3.13Å; D659-Q663 PolarHBondContact O-N 3.35Å
660L69.1Low54.9Low99 Ų99135.9 Ų135.952%0.51871%0.712SS.*Hα-helixtrans-61.4-27169.5-91.780.5000113.8M655 S656M655-L660 HydrophobicContact CB-CD1 4.02Å; M655-L660 HydrophobicContact CG-CD1 3.61Å; M655-L660 HydrophobicContact SD-CD1 3.74Å; M655-L660 HydrophobicContact SD-CG 4.46Å; S656-L660 WeakPolarHBondContact O-CD1 3.3Å; S656-L660 PolarHBondContact O-N 2.86Å
661L65.2Low54.3Low106 Ų106135.4 Ų135.456%0.55571%0.709SS**Hα-helixtrans-85.9-24.8178.2-74.6169.3000112.7R657 L658 D659R657-L661 WeakPolarHBondContact O-CD1 3.34Å; R657-L661 WeakPolarHBondContact O-CG 3.38Å; R657-L661 PolarHBondContact O-N 2.85Å; L658-L661 PolarHBondContact O-N 2.97Å; D659-L661 PolarHBondContact O-N 3.44Å
662A64.7Low54.2Low77 Ų77138.7 Ų138.764%0.63671%0.714SS**Hα-helixtrans-82.4-11.7-179.100000114.3L658 D659L658-A662 PolarHBondContact O-N 2.84Å; D659-A662 PolarHBondContact O-N 3.13Å
663Q67.9Low53.4Low110 Ų110133.1 Ų133.151%0.51471%0.71SS.*SBendtrans-68.6128.4-179.6-66.1-156-20.300112.5D659 R665D659-Q663 PolarHBondContact O-N 3.35Å; Q663-R665 PolarHBondContact O-N 3.43Å
664P55.6Low52.1Low117 Ų117127.1 Ų127.176%0.7670%0.7SS**  trans-67110.4175.127-33.2000109.8R666P664-R666 VanDerWaalsContact C-N 3.33Å; P664-R666 PolarHBondContact O-N 3.34Å
665R54.5Low50.8Low194 Ų194134.6 Ų134.673%0.73270%0.704SS**  trans-66.685.6-179.1-69.1-175.5176.584.40.6111.3Q663 N667Q663-R665 PolarHBondContact O-N 3.43Å; R665-N667 PolarHBondContact O-N 2.95Å
666R54.3Low49.2Very low234 Ų234132.9 Ų132.988%0.88370%0.703SS**  trans-64122.4163.5-66.3-176.567.9163.51.5108.2P664 R668P664-R666 VanDerWaalsContact C-N 3.33Å; P664-R666 PolarHBondContact O-N 3.34Å; R666-R668 PolarHBondContact O-N 3.47Å
667N37.3Very low47.8Very low158 Ų158136.4 Ų136.485%0.84572%0.716SS**  trans-57.7105.9-177.8-73.4-15.5000111.3R665R665-N667 PolarHBondContact O-N 2.95Å
668R41Very low46.5Very low246 Ų246130.2 Ų130.293%0.92871%0.705SS**  trans-86.7116.6170.2-171.7178.1-176.4-176.40.3108R666R666-R668 PolarHBondContact O-N 3.47Å
669V34.6Very low45Very low138 Ų138132.2 Ų132.284%0.83671%0.711SS**  trans-76.7129.4-170.3177.10000112.5
670G35.7Very low43.2Very low59 Ų59133.5 Ų133.561%0.60873%0.725SS**  trans83.1177.6138.800000119.7
671S31.1Very low41.4Very low120 Ų120134.3 Ų134.384%0.83973%0.734SS**  trans76.9127.5-169.5-36.10000113
672V35Very low39.8Very low143 Ų143135.5 Ų135.587%0.86775%0.746SS**  cis-144.8165.21.1-113.70000107.9
673S30Very low38Very low114 Ų114136.1 Ų136.180%0.79775%0.745SS**  cis-165.217947.4-162.90000113
674A31Very low36.5Very low83 Ų83141.7 Ų141.769%0.68676%0.761SS**  trans67.6106.3-175.700000114.4
675R29.8Very low36.1Very low232 Ų232140.6 Ų140.688%0.87575%0.754SS**  75.6136.364.6-65.7-176.783142.67.3112.5
676S29.4Very low35Very low70 Ų70136.5 Ų136.549%0.4976%0.755SS.*  cis-156.8160.514.4-1360000112
677D32.5Very low33.9Very low142 Ų142132 Ų13276%0.75975%0.754SS**  trans57.7146.6147.3-47.7-33.2000120.5
678S40Very low33.6Very low83 Ų83128.4 Ų128.458%0.5875%0.747SS**  cis-163.4164-8.1-110.30000111.4
679E38Very low33.2Very low177 Ų177121 Ų12183%0.82773%0.732SS**  trans46.8154.3148.179-161.788.400120.9
680C30.7Very low33.9Very low102 Ų102120.5 Ų120.569%0.68973%0.732SS**  cis165.8150.16.4149.20000104.6
681T31.6Very low33.9Very low115 Ų115127.8 Ų127.871%0.70674%0.741SS**  cis-161.9175.9-14.6400000109
682V31.6Very low34Very low132 Ų132130 Ų13080%0.874%0.743SS**  trans54.5138.3139.2159.70000120
683S26.3Very low33.9Very low89 Ų89128.1 Ų128.162%0.62274%0.736SS**  cis-165.2149.5-3.5-102.60000108.5
684R37.6Very low34Very low228 Ų228127.1 Ų127.186%0.8673%0.734SS**  55.7154.380.5-91.7-173.1150.7-134-1.1115.9
685P45.5Very low34Very low94 Ų94131.7 Ų131.761%0.6174%0.741SS**  cis-146.9179.9-23.742.4-24.4000116.9
686S31.2Very low34.1Very low108 Ų108126.3 Ų126.376%0.75573%0.734SS**  trans63.5153.1145.7-65.20000121.4
687T32.4Very low34.2Very low138 Ų138127.1 Ų127.185%0.84775%0.745SS**  cis-139-161.15.2-14.60000109.7
688A31.4Very low34.5Very low84 Ų84127.5 Ų127.569%0.69475%0.747SS**  cis-134.4-173.213.900000110
689S30.9Very low34.3Very low90 Ų90132.9 Ų132.963%0.62975%0.754SS**  cis70.2147.925.1-100.90000116
690P49.2Very low34Very low127 Ų127131.5 Ų131.583%0.82575%0.752SS**  cis-93.4-157.32.239.9-37.6000114.1
691R36.7Very low34Very low212 Ų212130.1 Ų130.180%0.875%0.754SS**  trans-157.5151.3-176-42.4175.6-159.4139.55.5113.8
692L34.1Very low34Very low168 Ų168131.2 Ų131.288%0.8876%0.755SS**  trans-143.3133.5143.3-70.2-178000107.3
693S31.7Very low34Very low103 Ų103135.6 Ų135.672%0.7276%0.757SS**  cis88.7131.227.7-58.80000113.6
694A32.6Very low34Very low92 Ų92135.8 Ų135.876%0.7676%0.759SS**  cis-161.7168.8-4.400000111.3
695E30.5Very low33.7Very low179 Ų179130.3 Ų130.384%0.83675%0.751SS**  trans-177.6156147.1-107.2-70.982.600111.2
696T32.8Very low32.8Very low119 Ų119131.7 Ų131.773%0.7376%0.758SS**  trans-150.6130.4-168.151.40000118.6
697A31.5Very low33.3Very low87 Ų87131.2 Ų131.272%0.71975%0.752SS**  trans72.8166.4138.400000122.1
698L37.3Very low33.1Very low151 Ų151129.4 Ų129.479%0.79174%0.741SS**  trans78.4147.9167-44.5-171.8000117.2
699R35.8Very low33Very low196 Ų196132 Ų13274%0.7474%0.739SS**  cis-157.3129.6-17.2-107.717187.1112.8-1108.6
700L32.6Very low32.9Very low148 Ų148132.9 Ų132.978%0.77574%0.737SS**  61.6122.595.6-62.8-173.1000118.4
701G29.9Very low31.8Very low72 Ų72134 Ų13474%0.74273%0.731SS**  trans150.8116.9156.200000112.5
702L32.3Very low31.7Very low139 Ų139130.6 Ų130.673%0.72873%0.727SS**  cis109.8132.918.3-76.6171.8000113
703R31.6Very low31.4Very low223 Ų223127.1 Ų127.184%0.84272%0.718SS**  trans74.3157.3155.5-66.1159.9-167.6-76.8-0.1117
704S27Very low31.9Very low94 Ų94127.6 Ų127.666%0.65772%0.718SS**  cis-173.3178.1-22.3-170.80000110.4
705T30.9Very low31.8Very low113 Ų113133 Ų13369%0.69372%0.719SS**  trans64.8107.915649.90000121.5
706T26.1Very low31.7Very low123 Ų123130.9 Ų130.976%0.75571%0.71SS**  24.3160.4105.960.90000120.9
707P41.2Very low31.5Very low97 Ų97135 Ų13563%0.6371%0.712SS**  cis-138.9-170.5-30.136.6-16.6000113.3
708T29.3Very low31.2Very low100 Ų100134.7 Ų134.761%0.61371%0.71SS**  trans64.5169.8168.4700000115.1
709E28.8Very low30.7Very low140 Ų140135.2 Ų135.265%0.65471%0.714SS**  cis-149.6169-1.3-148.5-165.4112.500110.8
710N28.8Very low30.5Very low108 Ų108131.4 Ų131.458%0.57872%0.717SS**  trans13.7128.5151.3-81.9-24.4000123.3
711Q27.4Very low30.3Very low150 Ų150130.6 Ų130.670%0.70172%0.718SS**  66.6137122-64.8-76.333.400122.8
712L34.1Very low30.4Very low140 Ų140129.8 Ų129.873%0.73370%0.701SS**  trans58.3100.1145.1-60.3169.2000119.9
713S28.5Very low30.7Very low96 Ų96129.6 Ų129.667%0.67169%0.694SS**  16.5152.8116.273.20000120.6
714P41.3Very low30.6Very low112 Ų112124.2 Ų124.273%0.72768%0.682SS**  cis-148.9-167.119.336.7-12.1000116.8
715R30Very low30.7Very low206 Ų206125.1 Ų125.178%0.77768%0.679SS**  trans84.1106.6133.8-159.2176.6-163100.52122.1
716M29Very low30.4Very low134 Ų134126.6 Ų126.666%0.6668%0.678SS**  trans58.1142.5141.1-50.916876.200118.3
717R27.5Very low30.9Very low205 Ų205125.3 Ų125.377%0.77467%0.672SS**  -177.5129.451.6176.4-175.9-74.5109.1-10.4112.4
718A26.8Very low30.4Very low82 Ų82128.7 Ų128.768%0.67868%0.676SS**  trans51.7146.9142.200000125.6
719N27.1Very low30.3Very low162 Ų162129.5 Ų129.587%0.86668%0.682SS**  trans85.7132.9142.2-70.93.9000123.3
720S29.8Very low30.2Very low115 Ų115131.6 Ų131.680%0.80469%0.688SS**  trans-94.2157.4-176.4-270000114.1
721V29.3Very low30Very low132 Ų132132.3 Ų132.380%0.870%0.697SS**  trans-173.8172.3146-91.70000108.4
722S32.9Very low30Very low54 Ų54130.7 Ų130.738%0.37870%0.698SS.*  cis-176.5157-45-179.50000109.2Q590 A591Q590-S722 CarbonylContact O-C 3.42Å; Q590-S722 WeakPolarHBondContact O-CA 3.5Å; Q590-S722 PolarHBondContact O-OG 3.38Å; Q590-S722 VanDerWaalsContact O-OG 3.07Å; A591-S722 CarbonylContact O-C 3.46Å; A591-S722 WeakPolarHBondContact O-CA 3.06Å
723K37Very low29.6Very low136 Ų136130 Ų13059%0.59170%0.7SS**  trans73.3148.2176.8-40.9-172.3-176.1174.80114.3L589 Q590 A591L589-K723 HydrophobicContact CB-CG 4.29Å; L589-K723 HydrophobicContact CD1-CD 3.94Å; L589-K723 HydrophobicContact CD1-CG 3.89Å; L589-K723 HydrophobicContact CG-CG 4.46Å; Q590-K723 PolarHBondContact O-N 2.95Å; A591-K723 CarbonylContact O-C 3.02Å; A591-K723 PolarHBondContact O-N 3.15Å
724L30.5Very low29.6Very low110 Ų110131 Ų13158%0.57671%0.706SS**  cis-141.3-1666.3-148.771.4000106.5L589 Q590L589-L724 HydrophobicContact CD2-CD1 3.88Å; Q590-L724 VanDerWaalsContact OE1-CA 3.24Å
725N29.2Very low28.9Very low112 Ų112128.6 Ų128.660%0.59970%0.702SS**  cis-152.5-175.8-5.6-162.713.8000110.6Q590Q590-N725 PolarHBondContact NE2-O 3.43Å; Q590-N725 VanDerWaalsContact OE1-N 3.14Å
726E23.6Very low28.6Very low145 Ų145129.9 Ų129.968%0.67871%0.708SS**  trans-102.1-163.9155.5-52.1-164.6162.800110.1
727P38.2Very low28.5Very low95 Ų95128.5 Ų128.562%0.61771%0.711SS**  cis-142163.6-9.840.9-22.1000118.9
728K29.5Very low28.8Very low168 Ų168123.8 Ų123.873%0.7371%0.709SS**  trans61.1142.2136.4-74.3166.4-174.4151.20123.6
729T27.3Very low29.2Very low118 Ų118125.1 Ų125.172%0.72471%0.711SS**  trans72.8154.6144.8610000119.7
730K27.2Very low29.2Very low183 Ų183123.2 Ų123.280%0.79671%0.706SS**  cis-171.3161.6-26.9-103.4-177.3-175.4-179.90108
731T24.3Very low28.9Very low123 Ų123123.2 Ų123.276%0.75570%0.701SS**  trans80.5150.9152.9-7.90000121.6
732T27.3Very low29Very low117 Ų117122.4 Ų122.472%0.71870%0.7SS**  trans72.895.1150.227.20000122
733T25.5Very low28.7Very low126 Ų126125.3 Ų125.377%0.77372%0.721SS**  48.3100.7105.8-450000119.8
734S29.5Very low28.2Very low116 Ų116124.2 Ų124.281%0.81173%0.73SS**  14.4126.3125.8164.80000119.4
735G25.7Very low28Very low62 Ų62122.3 Ų122.364%0.63973%0.726SS**  trans156.2119.9136.700000117.4
736Y24.2Very low27.9Very low232 Ų232126.6 Ų126.691%0.9173%0.734SS**  trans63.1160.8159.1-83.9-118.4000115.8
737C27.1Very low28Very low105 Ų105129.1 Ų129.171%0.70974%0.737SS**  cis-138.513613.6-161.80000112
738S33.6Very low28.1Very low106 Ų106135.9 Ų135.974%0.74175%0.751SS**  trans-96.3147.7157.3-44.30000108
739P35.4Very low28.2Very low111 Ų111136.6 Ų136.672%0.72175%0.749SS**  -145-166.69035.1-13000111.4
740T26.2Very low28.3Very low122 Ų122138 Ų13875%0.74875%0.751SS**  cis-158.9161.627.2-23.20000113.8
741V23.9Very low29.1Very low115 Ų115132.8 Ų132.870%0.69774%0.736SS**  trans-22.1143.2175.7-63.30000121.5
742S31.6Very low29.6Very low114 Ų114133.3 Ų133.380%0.79774%0.741SS**  trans151.189.6135.9-70.50000109.4
743S25.3Very low29.7Very low116 Ų116135.3 Ų135.381%0.81174%0.743SS**  cis70.167.227.7-670000116.6
744S27.7Very low29.9Very low113 Ų113141 Ų14179%0.7975%0.752SS**  trans-154.5104.9138.2-1610000109.1
745S26.6Very low29.8Very low70 Ų70138.5 Ų138.549%0.4974%0.744SS.*  71.9117.171.9-83.70000115.7
746R26.3Very low30.1Very low202 Ų202141.6 Ų141.676%0.76276%0.756SS**  trans65.1136.2144.2-63.9162.5-101.3-154.6-1.6115.5
747W26.2Very low30.7Very low197 Ų197136.5 Ų136.575%0.74675%0.75SS**  cis-148.7160.939.3-79.184000113.6
748R40.2Very low31Very low238 Ų238136.1 Ų136.190%0.89875%0.748SS**  trans-71.2132.1148-64.7-168.2-60.6-124.24.9108.5
749R30.3Very low31Very low183 Ų183139 Ų13969%0.69175%0.75SS**  trans175.1153.4161-102175.9-121.1-844.9108.9
750L30.3Very low31Very low146 Ų146141 Ų14176%0.76475%0.749SS**  cis-158.4-154.9-27.4-122.3-170.7000106.9
751P43Very low31.7Very low75 Ų75142.6 Ų142.649%0.48775%0.748SS.*  trans-89.3177.7-170.142-36.2000112.2E753P751-E753 HydrophobicContact CG-CG 4.09Å
752P36.6Very low32.3Very low133 Ų133146.5 Ų146.586%0.86476%0.756SS**  trans-81.3105.1149.117.7-1000109.4
753E28.2Very low32.3Very low160 Ų160144.6 Ų144.675%0.74876%0.755SS**  trans-92.9120.5156.4-80.7172.8-128.400108P751P751-E753 HydrophobicContact CG-CG 4.09Å
754Y29.8Very low32.5Very low245 Ų245144.2 Ų144.296%0.96175%0.752SS**  trans179.4130.6146.1-113.1-80.3000107.9
755G27.9Very low32.6Very low64 Ų64143.3 Ų143.366%0.6675%0.746SS**  cis-166.5174.2-6.400000112.1
756S32.1Very low33Very low126 Ų126150.7 Ų150.788%0.88176%0.763SS**  trans-70.1137.6177.1-49.10000112
757T35.9Very low33.3Very low126 Ų126148.6 Ų148.677%0.77377%0.767SS**  trans-93.6125.1148.151.80000108.2
758S33.2Very low33.2Very low96 Ų96144.8 Ų144.867%0.67177%0.77SS**  trans40.3153.4140.149.80000122.1
759E35.1Very low32.7Very low168 Ų168137.1 Ų137.179%0.78576%0.758SS**  cis-147.8-151.35.5-137.6148.298.300112
760E34.6Very low32.6Very low152 Ų152136.8 Ų136.871%0.7176%0.761SS**  trans-63.1172.3176.362.2-174.6-153.800114
761E41.4Very low32.7Very low155 Ų155138.1 Ų138.172%0.72476%0.763SS**  cis-153123.338-161.3-172169.100115.3
762F36.3Very low32.1Very low197 Ų197138 Ų13886%0.86478%0.775SS**  trans58.3172.9150.7-76.9-121.2000120.8
763G30.6Very low31.7Very low75 Ų75136 Ų13677%0.77377%0.77SS**  trans124.89.1169.500000118
764S29.6Very low31.9Very low108 Ų108139.5 Ų139.576%0.75578%0.777SS**  trans-25.9124.8154.6176.70000116.6
765S30.2Very low32.2Very low93 Ų93132.9 Ų132.965%0.6576%0.764SS**  -176.1121.9117.6-86.50000116
766R34.8Very low32.3Very low226 Ų226138.5 Ų138.585%0.85377%0.773SS**  45.8120.6126.7-55.3162.6174.7-133.6-2.8117.1
767N32.2Very low32.4Very low157 Ų157138 Ų13884%0.8476%0.764SS**  -159.4143.358.744.816.1000115
768S25.7Very low32.1Very low117 Ų117142.9 Ų142.982%0.81877%0.768SS**  trans-83.5175156.955.80000108.7
769A29.5Very low32.2Very low78 Ų78143 Ų14365%0.64577%0.767SS**  cis-161.6147.534.300000109.4
770K27.3Very low31.9Very low175 Ų175142.8 Ų142.876%0.76177%0.765SS**  82.8145.976.8-162.9-176-176.3-179.90112.6
771H32.7Very low31.6Very low174 Ų174143.7 Ų143.781%0.80677%0.769SS**  trans74.5136.4-173.8-50.3-92.2000114.2
772G29.9Very low31Very low72 Ų72144.1 Ų144.174%0.74278%0.775SS**  cis-169.1159.3-6.100000114.7
773A28.4Very low30.8Very low91 Ų91140.2 Ų140.275%0.75277%0.767SS**  trans-21.6145.9162.800000115.9
774R33.9Very low30.8Very low234 Ų234142 Ų14288%0.88377%0.766SS**  cis176.8-170.624.8-117.1172-170.4-171.93.2106.6
775P35Very low30.7Very low107 Ų107144.5 Ų144.570%0.69577%0.765SS**  cis-132.9141.6-26.432.4-14.4000113.9
776H31Very low30.8Very low182 Ų182151 Ų15184%0.84378%0.775SS**  trans-154.1176133.8-136-111.2000114.4R778H776-R778 PolarHBondContact O-N 2.71Å
777V33.7Very low30.4Very low116 Ų116145 Ų14570%0.70377%0.768SS**  trans-74.8108.7-153.9177.70000115
778R29.8Very low30.3Very low228 Ų228141.9 Ų141.986%0.8676%0.758SS**  trans52.7121.8130.1-145.1178.8-142.61212.5120.4H776H776-R778 PolarHBondContact O-N 2.71Å
779P34.9Very low30.4Very low98 Ų98148 Ų14864%0.63676%0.764SS**  trans-112.3-175.6177.836-23.2000115.5
780H27.7Very low30.4Very low164 Ų164152.6 Ų152.676%0.75978%0.777SS**  trans75.6138.6167.8-54.6-71.9000120.2
781H29.8Very low30.4Very low170 Ų170148.3 Ų148.379%0.78778%0.782SS**  trans45.5111.4146.476.4-17000119.9
782L27.3Very low30.7Very low164 Ų164146.2 Ų146.286%0.85979%0.787SS**  trans-139.6127.9145.8-81.4-177.8000110.8
783V33.2Very low30.7Very low115 Ų115147.6 Ų147.670%0.69779%0.791SS**PPolyproline II helixtrans-89.4126151.2170.60000107
784P29.5Very low31.3Very low114 Ų114149.1 Ų149.174%0.7480%0.796SS**PPolyproline II helixtrans-100.2124.5145.5-16.233.3000111.1
785H28.5Very low31.1Very low160 Ų160143.9 Ų143.974%0.74180%0.795SS**PPolyproline II helixtrans-82.7154.8158.7-72.1-84.3000109.5
786R31.8Very low31.2Very low229 Ų229144.4 Ų144.486%0.86480%0.802SS**  trans44.1136.9143.5-65.8178.3172.6-120.1-0.8117.9
787S26.6Very low31.3Very low99 Ų99139.4 Ų139.469%0.69280%0.8SS**  cis-173.8160.744.6-152.30000112.6
788S29.8Very low31.7Very low92 Ų92139.9 Ų139.964%0.64381%0.805SS**  trans35.2127.2139.1-173.60000120.5
789R27.6Very low31.9Very low247 Ų247134 Ų13493%0.93281%0.805SS**  -146.9153.9121.9-110.1163.5-151.8-90-0.5112.4
790L30.9Very low31.9Very low174 Ų174133 Ų13391%0.91181%0.812SS**  trans-84.3157.4178.8-64.5153.3000110.4
791G26.7Very low32.2Very low85 Ų85132.2 Ų132.288%0.87682%0.819SS**  trans-170.185.6174.100000113.7
792S38.5Very low32.8Very low129 Ų129129 Ų12990%0.90282%0.822SS**  trans-131104.2163.5-179.10000109
793A30.7Very low33.3Very low102 Ų102125.7 Ų125.784%0.84382%0.818SS**  trans-163.7143.516600000109.7
794S39.5Very low33.5Very low122 Ų122127.8 Ų127.885%0.85382%0.824SS**  trans-74.8149.1175.751.50000113.5
795S30.1Very low34.1Very low124 Ų124128.9 Ų128.987%0.86783%0.831SS**  trans-138158.5152.163.30000109.9
796S37.1Very low34.8Very low118 Ų118124.3 Ų124.383%0.82583%0.827SS**  trans-135.3106.7-159.256.30000114.5
797G34Very low35.3Very low78 Ų78116 Ų11680%0.80481%0.813SS**  trans70.1178.7166.600000116.7
798P41.8Very low36.5Very low126 Ų126115.3 Ų115.382%0.81881%0.813SS**  cis-124.6170-141.2-27.7000115.6
799A34.5Very low37.5Very low103 Ų103113.2 Ų113.285%0.85181%0.806SS**  trans36.5131.8150.100000123.4
800G34.1Very low38.8Very low77 Ų77106.8 Ų106.879%0.79479%0.789SS**  trans89144.8166.800000113.8
801V34.5Very low40Very low148 Ų148106.2 Ų106.290%0.89778%0.779SS**  cis-129.5160.59.8173.10000109.8
802A42.9Very low41.4Very low102 Ų102108 Ų10884%0.84376%0.764SS**  trans-64146.4-17700000114.4
803A36Very low42.4Very low95 Ų95110.5 Ų110.579%0.78575%0.754SS**  trans-124.5142167.400000109.9
804I37.7Very low44Very low159 Ų159111.6 Ų111.682%0.81574%0.743SS**  trans-75.5132.3-164.4-59.9163.8000111.6G806I804-G806 VanDerWaalsContact C-N 3.3Å; I804-G806 PolarHBondContact O-N 3.44Å
805P42.6Very low45.8Very low138 Ų138111.6 Ų111.690%0.89673%0.728SS**THydrogen-bonded Turntrans-77.973.5179.233.3-36.3000112.1
806G43.3Very low48.1Very low64 Ų64110.7 Ų110.766%0.6671%0.71SS**THydrogen-bonded Turntrans-141.5-21.1176.800000116.3I804 A808I804-G806 VanDerWaalsContact C-N 3.3Å; I804-G806 PolarHBondContact O-N 3.44Å; G806-A808 PolarHBondContact O-N 3Å
807G43Very low50.2Low55 Ų55111 Ų11157%0.56770%0.698SS**SBendtrans-86.2-2.2-169.500000117.5
808A50.5Low52.6Low83 Ų83112.3 Ų112.369%0.68668%0.683SS**Hα-helixtrans-77-44.4-166.600000114.3G806 I810 K811 H812G806-A808 PolarHBondContact O-N 3Å; A808-I810 VanDerWaalsContact C-N 3.35Å; A808-I810 PolarHBondContact O-N 3.09Å; A808-K811 PolarHBondContact O-N 3.29Å; A808-H812 PolarHBondContact O-N 2.86Å
809G51.8Low54.7Low48 Ų48109.3 Ų109.350%0.49566%0.659SS.*Hα-helixtrans-63.9-33.7-170.500000114.7H812 R813G809-H812 WeakPolarHBondContact O-CB 3.34Å; G809-H812 PolarHBondContact O-N 2.66Å; G809-R813 PolarHBondContact O-N 3Å
810I54.7Low57.5Low113 Ų113111.8 Ų111.858%0.57965%0.647SS**Hα-helixtrans-68.6-43.6177.2-60.2174.2000110.2A808 H812 R813 M814A808-I810 VanDerWaalsContact C-N 3.35Å; A808-I810 PolarHBondContact O-N 3.09Å; I810-H812 VanDerWaalsContact C-N 3.28Å; I810-H812 PolarHBondContact O-N 3.34Å; I810-R813 PolarHBondContact O-N 3.08Å; I810-M814 HydrophobicContact CG2-SD 4.04Å; I810-M814 WeakPolarHBondContact O-CG 3.15Å; I810-M814 PolarHBondContact O-N 3.12Å
811K55.2Low60.3Low162 Ų162111.9 Ų111.970%0.70463%0.628SS**Hα-helixtrans-68.5-26176.3-67.7-163.3176.1-170.50112.9A808 K815A808-K811 PolarHBondContact O-N 3.29Å; K811-K815 VanDerWaalsContact O-CB 3.26Å; K811-K815 WeakPolarHBondContact O-CB 3.37Å; K811-K815 PolarHBondContact O-N 3.45Å
812H57.5Low63.1Low122 Ų122109.8 Ų109.857%0.56560%0.604SS**Hα-helixtrans-62.5-59.3169.4-162.1-77.2000110.7A808 G809 I810 M814 K815 E816A808-H812 PolarHBondContact O-N 2.86Å; G809-H812 WeakPolarHBondContact O-CB 3.34Å; G809-H812 PolarHBondContact O-N 2.66Å; I810-H812 VanDerWaalsContact C-N 3.28Å; I810-H812 PolarHBondContact O-N 3.34Å; H812-M814 VanDerWaalsContact C-N 3.29Å; H812-M814 PolarHBondContact O-N 2.84Å; H812-K815 PolarHBondContact O-N 3.14Å; H812-E816 IonicContact CE1-OE2 3.81Å; H812-E816 PolarHBondContact CE1-OE2 2.98Å; H812-E816 IonicContact ND1-OE2 2.67Å; H812-E816 PolarHBondContact ND1-OE2 2.88Å; H812-E816 VanDerWaalsContact O-CB 3.23Å; H812-E816 WeakPolarHBondContact O-CB 3.35Å; H812-E816 PolarHBondContact O-N 3.29Å
813R58.9Low65.5Low182 Ų182109.6 Ų109.669%0.68759%0.589SS**Hα-helixtrans-58.2-38.2-178.9-73.7-160.4-67.4-124.73.3113.3G809 I810 E816 Q817G809-R813 PolarHBondContact O-N 3Å; I810-R813 PolarHBondContact O-N 3.08Å; R813-E816 PolarHBondContact O-N 3.14Å; R813-Q817 VanDerWaalsContact O-CB 3.31Å; R813-Q817 WeakPolarHBondContact O-CB 3.32Å; R813-Q817 PolarHBondContact O-N 3.28Å
814M65.4Low68.3Low125 Ų125112.7 Ų112.762%0.61658%0.581SS**Hα-helixtrans-66.3-41.8174.9-66.417777.600112.4I810 H812 E818I810-M814 HydrophobicContact CG2-SD 4.04Å; I810-M814 WeakPolarHBondContact O-CG 3.15Å; I810-M814 PolarHBondContact O-N 3.12Å; H812-M814 VanDerWaalsContact C-N 3.29Å; H812-M814 PolarHBondContact O-N 2.84Å; M814-E818 WeakPolarHBondContact O-CB 3.13Å; M814-E818 PolarHBondContact O-N 3.2Å
815K75.8Confident71Confident121 Ų121108.5 Ų108.553%0.52656%0.563SS.*Hα-helixtrans-67.8-37.1176.1-179.4179.7176.2-68.70111.9K811 H812 E818 E819K811-K815 VanDerWaalsContact O-CB 3.26Å; K811-K815 WeakPolarHBondContact O-CB 3.37Å; K811-K815 PolarHBondContact O-N 3.45Å; H812-K815 PolarHBondContact O-N 3.14Å; K815-E818 CarbonylContact O-C 3.55Å; K815-E818 WeakPolarHBondContact O-CB 3.48Å; K815-E818 PolarHBondContact O-N 3.44Å; K815-E819 IonicContact NZ-OE2 3.67Å; K815-E819 PolarHBondContact NZ-OE2 2.79Å; K815-E819 WeakPolarHBondContact O-CB 3.2Å; K815-E819 PolarHBondContact O-N 2.89Å
816E78.2Confident73.6Confident105 Ų105104.5 Ų104.549%0.49154%0.541SS..Hα-helixtrans-70.1-38.3179-174.8173.1-172.700111.4H812 R813 E819 Y820H812-E816 IonicContact CE1-OE2 3.81Å; H812-E816 PolarHBondContact CE1-OE2 2.98Å; H812-E816 IonicContact ND1-OE2 2.67Å; H812-E816 PolarHBondContact ND1-OE2 2.88Å; H812-E816 VanDerWaalsContact O-CB 3.23Å; H812-E816 WeakPolarHBondContact O-CB 3.35Å; H812-E816 PolarHBondContact O-N 3.29Å; R813-E816 PolarHBondContact O-N 3.14Å; E816-E819 WeakPolarHBondContact O-CB 3.29Å; E816-E819 PolarHBondContact O-N 2.83Å; E816-Y820 WeakPolarHBondContact O-CB 3.45Å; E816-Y820 PolarHBondContact O-N 2.95Å
817Q82.1Confident76.2Confident124 Ų124106.6 Ų106.658%0.57953%0.533SS*.Hα-helixtrans-66.2-39.7168.9-173.5176.9-1.100111.9R813 Y820 I821R813-Q817 VanDerWaalsContact O-CB 3.31Å; R813-Q817 WeakPolarHBondContact O-CB 3.32Å; R813-Q817 PolarHBondContact O-N 3.28Å; Q817-Y820 PolarHBondContact O-N 3.06Å; Q817-I821 HydrophobicContact CG-CD1 4.01Å; Q817-I821 WeakPolarHBondContact O-CB 3.49Å; Q817-I821 VanDerWaalsContact O-CG1 3.22Å; Q817-I821 WeakPolarHBondContact O-CG1 3.49Å; Q817-I821 PolarHBondContact O-N 3.42Å
818E83.6Confident78.6Confident106 Ų106106.5 Ų106.550%0.49552%0.524SS..Hα-helixtrans-67.5-32.4172.9-17868-136.300112.4M814 K815 R822M814-E818 WeakPolarHBondContact O-CB 3.13Å; M814-E818 PolarHBondContact O-N 3.2Å; K815-E818 CarbonylContact O-C 3.55Å; K815-E818 WeakPolarHBondContact O-CB 3.48Å; K815-E818 PolarHBondContact O-N 3.44Å; E818-R822 WeakPolarHBondContact O-CB 3.38Å; E818-R822 WeakPolarHBondContact O-CG 3.41Å; E818-R822 PolarHBondContact O-N 3.31Å; E818-R822 VanDerWaalsContact O-N 3.07Å; E818-R822 PolarHBondContact O-NE 2.82Å; E818-R822 VanDerWaalsContact O-NE 3.08Å
819E87.3Confident80.8Confident64 Ų64108.4 Ų108.430%0.29952%0.519SS..Hα-helixtrans-66.2-51.6170.4-147.3103-109.300109.8K815 E816 I821 R822 D823K815-E819 IonicContact NZ-OE2 3.67Å; K815-E819 PolarHBondContact NZ-OE2 2.79Å; K815-E819 WeakPolarHBondContact O-CB 3.2Å; K815-E819 PolarHBondContact O-N 2.89Å; E816-E819 WeakPolarHBondContact O-CB 3.29Å; E816-E819 PolarHBondContact O-N 2.83Å; E819-I821 VanDerWaalsContact C-N 3.33Å; E819-I821 PolarHBondContact O-N 2.96Å; E819-R822 VanDerWaalsContact CA-NH2 3.31Å; E819-R822 PolarHBondContact O-N 3.48Å; E819-R822 VanDerWaalsContact O-N 3.13Å; E819-R822 IonicContact OE1-CZ 2.66Å; E819-R822 VanDerWaalsContact OE1-CZ 3.29Å; E819-R822 IonicContact OE1-NH1 3.27Å; E819-R822 PolarHBondContact OE1-NH1 2.72Å; E819-R822 IonicContact OE1-NH2 3.68Å; E819-R822 PolarHBondContact OE1-NH2 3.48Å; E819-R822 IonicContact OE2-NH2 3.76Å; E819-D823 WeakPolarHBondContact O-CB 3.45Å; E819-D823 VanDerWaalsContact O-CG 3.29Å; E819-D823 PolarHBondContact O-N 3.34Å
820Y92.9Very high82.9Confident155 Ų155110 Ų11061%0.60851%0.514SS*.Hα-helixtrans-58.6-40.1176.7-177.6-93.7000112.8E816 Q817 W824E816-Y820 WeakPolarHBondContact O-CB 3.45Å; E816-Y820 PolarHBondContact O-N 2.95Å; Q817-Y820 PolarHBondContact O-N 3.06Å; Y820-W824 WeakPolarHBondContact O-CB 3.29Å; Y820-W824 PolarHBondContact O-N 2.85Å
821I92.1Very high84.9Confident78 Ų78108.6 Ų108.640%0.451%0.506SS..Hα-helixtrans-68.2-40.5176.1-71.3165.3000111.1Q817 E819 T825Q817-I821 HydrophobicContact CG-CD1 4.01Å; Q817-I821 WeakPolarHBondContact O-CB 3.49Å; Q817-I821 VanDerWaalsContact O-CG1 3.22Å; Q817-I821 WeakPolarHBondContact O-CG1 3.49Å; Q817-I821 PolarHBondContact O-N 3.42Å; E819-I821 VanDerWaalsContact C-N 3.33Å; E819-I821 PolarHBondContact O-N 2.96Å; I821-T825 VanDerWaalsContact O-CB 3.3Å; I821-T825 WeakPolarHBondContact O-CB 3.23Å; I821-T825 PolarHBondContact O-N 2.79Å; I821-T825 PolarHBondContact O-OG1 3.43Å
822R93Very high86.9Confident104 Ų104103.7 Ų103.739%0.39250%0.496SS..Hα-helixtrans-67.1-41.9174.9-78.5-179.9-69.3116-6.4112.5E818 E819 T825 A826E818-R822 WeakPolarHBondContact O-CB 3.38Å; E818-R822 WeakPolarHBondContact O-CG 3.41Å; E818-R822 PolarHBondContact O-N 3.31Å; E818-R822 VanDerWaalsContact O-N 3.07Å; E818-R822 PolarHBondContact O-NE 2.82Å; E818-R822 VanDerWaalsContact O-NE 3.08Å; E819-R822 VanDerWaalsContact CA-NH2 3.31Å; E819-R822 PolarHBondContact O-N 3.48Å; E819-R822 VanDerWaalsContact O-N 3.13Å; E819-R822 IonicContact OE1-CZ 2.66Å; E819-R822 VanDerWaalsContact OE1-CZ 3.29Å; E819-R822 IonicContact OE1-NH1 3.27Å; E819-R822 PolarHBondContact OE1-NH1 2.72Å; E819-R822 IonicContact OE1-NH2 3.68Å; E819-R822 PolarHBondContact OE1-NH2 3.48Å; E819-R822 IonicContact OE2-NH2 3.76Å; R822-T825 WeakPolarHBondContact O-CB 3.09Å; R822-T825 PolarHBondContact O-N 2.61Å; R822-A826 WeakPolarHBondContact O-CB 3.49Å; R822-A826 PolarHBondContact O-N 2.97Å
823D94.9Very high88.8Confident99 Ų99103 Ų10353%0.52949%0.488SS..Hα-helixtrans-70.7-38.4179.4-68.4-10.2000110.9E819 A826 H827E819-D823 WeakPolarHBondContact O-CB 3.45Å; E819-D823 VanDerWaalsContact O-CG 3.29Å; E819-D823 PolarHBondContact O-N 3.34Å; D823-A826 PolarHBondContact O-N 3.11Å; D823-H827 VanDerWaalsContact O-CB 3.24Å; D823-H827 WeakPolarHBondContact O-CB 3.46Å; D823-H827 PolarHBondContact O-N 3.29Å
824W94.4Very high90.7Very high159 Ų15998.8 Ų98.860%0.60248%0.478SS*.Hα-helixtrans-61.1-43.6168.3178.1-96.1000111.8Y820 H827 S828Y820-W824 WeakPolarHBondContact O-CB 3.29Å; Y820-W824 PolarHBondContact O-N 2.85Å; W824-H827 PolarHBondContact O-N 3.35Å; W824-S828 WeakPolarHBondContact O-CB 3.46Å; W824-S828 PolarHBondContact O-N 3.37Å
825T94.6Very high92.2Very high72 Ų7296 Ų9644%0.44247%0.471SS..Hα-helixtrans-62.7-47.7176.6-58.30000110.6I821 R822 H827 S828 E829I821-T825 VanDerWaalsContact O-CB 3.3Å; I821-T825 WeakPolarHBondContact O-CB 3.23Å; I821-T825 PolarHBondContact O-N 2.79Å; I821-T825 PolarHBondContact O-OG1 3.43Å; R822-T825 WeakPolarHBondContact O-CB 3.09Å; R822-T825 PolarHBondContact O-N 2.61Å; T825-H827 PolarHBondContact O-N 3.37Å; T825-S828 PolarHBondContact O-N 3.06Å; T825-S828 PolarHBondContact O-OG 3.13Å; T825-E829 PolarHBondContact O-N 3.35Å
826A96.1Very high93.3Very high53 Ų5395.9 Ų95.944%0.43847%0.473SS..Hα-helixtrans-63.4-38.2176.900000112.4R822 D823 E829 E830R822-A826 WeakPolarHBondContact O-CB 3.49Å; R822-A826 PolarHBondContact O-N 2.97Å; D823-A826 PolarHBondContact O-N 3.11Å; A826-E829 PolarHBondContact O-N 2.61Å; A826-E830 WeakPolarHBondContact O-CB 3.44Å; A826-E830 PolarHBondContact O-N 3.27Å
827H97.4Very high94.2Very high108 Ų10894.5 Ų94.550%0.547%0.468SS..Hα-helixtrans-66.5-38.8173.5-173.151000111.9D823 W824 T825 E830 I831D823-H827 VanDerWaalsContact O-CB 3.24Å; D823-H827 WeakPolarHBondContact O-CB 3.46Å; D823-H827 PolarHBondContact O-N 3.29Å; W824-H827 PolarHBondContact O-N 3.35Å; T825-H827 PolarHBondContact O-N 3.37Å; H827-E830 WeakPolarHBondContact O-CB 3.34Å; H827-E830 PolarHBondContact O-N 3.34Å; H827-I831 VanDerWaalsContact O-CG1 3.31Å; H827-I831 WeakPolarHBondContact O-CG1 3.36Å; H827-I831 PolarHBondContact O-N 2.71Å
828S94.4Very high95Very high54 Ų5493.4 Ų93.438%0.37847%0.466SS..Hα-helixtrans-67.1-35.6174.480.50000112.2W824 T825 A832W824-S828 WeakPolarHBondContact O-CB 3.46Å; W824-S828 PolarHBondContact O-N 3.37Å; T825-S828 PolarHBondContact O-N 3.06Å; T825-S828 PolarHBondContact O-OG 3.13Å; S828-A832 VanDerWaalsContact O-CB 3.31Å; S828-A832 WeakPolarHBondContact O-CB 3.42Å; S828-A832 PolarHBondContact O-N 3.32Å
829E96.4Very high95.6Very high123 Ų12391 Ų9158%0.57546%0.464SS*.Hα-helixtrans-66.9-42.5172.3-172.1-179.2166.800111.2T825 A826 A832 R833T825-E829 PolarHBondContact O-N 3.35Å; A826-E829 PolarHBondContact O-N 2.61Å; E829-A832 PolarHBondContact O-N 3.34Å; E829-R833 WeakPolarHBondContact O-CG 3.27Å; E829-R833 PolarHBondContact O-N 3.13Å
830E97Very high96.1Very high81 Ų8192.1 Ų92.138%0.37947%0.468SS..Hα-helixtrans-58.2-49.2173.9-167.364.4-13300111.3A826 H827 A832 R833 I834A826-E830 WeakPolarHBondContact O-CB 3.44Å; A826-E830 PolarHBondContact O-N 3.27Å; H827-E830 WeakPolarHBondContact O-CB 3.34Å; H827-E830 PolarHBondContact O-N 3.34Å; E830-A832 VanDerWaalsContact C-N 3.32Å; E830-A832 PolarHBondContact O-N 3.36Å; E830-R833 PolarHBondContact O-N 3.43Å; E830-R833 IonicContact OE1-CZ 2.84Å; E830-R833 IonicContact OE1-NH1 3.6Å; E830-R833 IonicContact OE1-NH2 2.87Å; E830-R833 PolarHBondContact OE1-NH2 3.02Å; E830-R833 IonicContact OE2-CZ 3.93Å; E830-R833 IonicContact OE2-NH2 2.98Å; E830-R833 PolarHBondContact OE2-NH2 3.11Å; E830-I834 HydrophobicContact CG-CD1 3.97Å; E830-I834 WeakPolarHBondContact O-CB 3.34Å; E830-I834 VanDerWaalsContact O-CG1 3.29Å; E830-I834 WeakPolarHBondContact O-CG1 3.37Å; E830-I834 PolarHBondContact O-N 2.97Å
831I96.6Very high96.4Very high84 Ų8489.7 Ų89.743%0.43147%0.466SS..Hα-helixtrans-59.9-42.3175.3-69.2165000110.8H827 I834 S835H827-I831 VanDerWaalsContact O-CG1 3.31Å; H827-I831 WeakPolarHBondContact O-CG1 3.36Å; H827-I831 PolarHBondContact O-N 2.71Å; I831-I834 PolarHBondContact O-N 3.18Å; I831-S835 VanDerWaalsContact O-CB 3.26Å; I831-S835 WeakPolarHBondContact O-CB 3.2Å; I831-S835 PolarHBondContact O-N 3.26Å; I831-S835 PolarHBondContact O-OG 3.28Å
832A97.3Very high96.7Very high58 Ų5890.8 Ų90.848%0.47947%0.472SS..Hα-helixtrans-64.5-40.8177.900000112.2S828 E829 E830 S835 Q836S828-A832 VanDerWaalsContact O-CB 3.31Å; S828-A832 WeakPolarHBondContact O-CB 3.42Å; S828-A832 PolarHBondContact O-N 3.32Å; E829-A832 PolarHBondContact O-N 3.34Å; E830-A832 VanDerWaalsContact C-N 3.32Å; E830-A832 PolarHBondContact O-N 3.36Å; A832-S835 PolarHBondContact O-N 2.91Å; A832-Q836 WeakPolarHBondContact O-CB 3.29Å; A832-Q836 PolarHBondContact O-N 2.99Å
833R97.4Very high96.8Very high109 Ų10988.2 Ų88.241%0.41147%0.472SS..Hα-helixtrans-66.5-46174.8-68.2-164-59.290.9-5.7112.2E829 E830 S835 Q836 D837E829-R833 WeakPolarHBondContact O-CG 3.27Å; E829-R833 PolarHBondContact O-N 3.13Å; E830-R833 PolarHBondContact O-N 3.43Å; E830-R833 IonicContact OE1-CZ 2.84Å; E830-R833 IonicContact OE1-NH1 3.6Å; E830-R833 IonicContact OE1-NH2 2.87Å; E830-R833 PolarHBondContact OE1-NH2 3.02Å; E830-R833 IonicContact OE2-CZ 3.93Å; E830-R833 IonicContact OE2-NH2 2.98Å; E830-R833 PolarHBondContact OE2-NH2 3.11Å; R833-S835 VanDerWaalsContact C-N 3.28Å; R833-S835 PolarHBondContact O-N 3.41Å; R833-Q836 WeakPolarHBondContact O-CB 3.26Å; R833-Q836 PolarHBondContact O-N 2.87Å; R833-Q836 VanDerWaalsContact O-N 3.1Å; R833-D837 PolarHBondContact O-N 3.49Å
834I97.8Very high96.8Very high93 Ų9387.8 Ų87.848%0.47747%0.469SS..Hα-helixtrans-60.1-41.6176.3-68.1166.8000110.3E830 I831 Q836 D837 L838E830-I834 HydrophobicContact CG-CD1 3.97Å; E830-I834 WeakPolarHBondContact O-CB 3.34Å; E830-I834 VanDerWaalsContact O-CG1 3.29Å; E830-I834 WeakPolarHBondContact O-CG1 3.37Å; E830-I834 PolarHBondContact O-N 2.97Å; I831-I834 PolarHBondContact O-N 3.18Å; I834-Q836 VanDerWaalsContact C-N 3.34Å; I834-Q836 PolarHBondContact O-N 2.9Å; I834-D837 PolarHBondContact O-N 3.44Å; I834-L838 VanDerWaalsContact O-CB 3.32Å; I834-L838 WeakPolarHBondContact O-CB 3.29Å; I834-L838 PolarHBondContact O-N 3.14Å
835S97.1Very high96.9Very high67 Ų6784.3 Ų84.347%0.46946%0.462SS..Hα-helixtrans-64.7-37.2175-570000112.1I831 A832 R833 A839I831-S835 VanDerWaalsContact O-CB 3.26Å; I831-S835 WeakPolarHBondContact O-CB 3.2Å; I831-S835 PolarHBondContact O-N 3.26Å; I831-S835 PolarHBondContact O-OG 3.28Å; A832-S835 PolarHBondContact O-N 2.91Å; R833-S835 VanDerWaalsContact C-N 3.28Å; R833-S835 PolarHBondContact O-N 3.41Å; S835-A839 VanDerWaalsContact O-CB 3.31Å; S835-A839 WeakPolarHBondContact O-CB 3.48Å; S835-A839 PolarHBondContact O-N 2.87Å
836Q97.8Very high97Very high118 Ų11883 Ų8355%0.55146%0.459SS*.Hα-helixtrans-69.6-39.3176.5-157.7-158.148.300112.2A832 R833 I834 A839 K840A832-Q836 WeakPolarHBondContact O-CB 3.29Å; A832-Q836 PolarHBondContact O-N 2.99Å; R833-Q836 WeakPolarHBondContact O-CB 3.26Å; R833-Q836 PolarHBondContact O-N 2.87Å; R833-Q836 VanDerWaalsContact O-N 3.1Å; I834-Q836 VanDerWaalsContact C-N 3.34Å; I834-Q836 PolarHBondContact O-N 2.9Å; Q836-A839 PolarHBondContact O-N 2.73Å; Q836-K840 WeakPolarHBondContact O-CE 3.38Å; Q836-K840 VanDerWaalsContact O-CG 3.3Å; Q836-K840 WeakPolarHBondContact O-CG 3.49Å; Q836-K840 PolarHBondContact O-N 2.94Å; Q836-K840 VanDerWaalsContact OE1-CE 3.29Å
837D98Very high96.8Very high75 Ų7587.8 Ų87.840%0.40147%0.465SS..Hα-helixtrans-69.4-42.9175.3-75.8-19.2000111.2R833 I834 A839 K840 D841R833-D837 PolarHBondContact O-N 3.49Å; I834-D837 PolarHBondContact O-N 3.44Å; D837-A839 VanDerWaalsContact C-N 3.28Å; D837-A839 PolarHBondContact O-N 3.26Å; D837-K840 WeakPolarHBondContact O-CA 3.5Å; D837-K840 WeakPolarHBondContact O-CB 3.27Å; D837-K840 PolarHBondContact O-N 2.84Å; D837-K840 IonicContact OD1-NZ 3.29Å; D837-K840 PolarHBondContact OD1-NZ 2.93Å; D837-D841 PolarHBondContact O-N 3.47Å
838L98.2Very high96.7Very high102 Ų10288.1 Ų88.153%0.53447%0.467SS..Hα-helixtrans-60.4-36.6172.6-175.3145.9000112.1I834 D841 L842I834-L838 VanDerWaalsContact O-CB 3.32Å; I834-L838 WeakPolarHBondContact O-CB 3.29Å; I834-L838 PolarHBondContact O-N 3.14Å; L838-D841 PolarHBondContact O-N 3.16Å; L838-L842 HydrophobicContact CD2-CD1 3.64Å; L838-L842 HydrophobicContact CD2-CG 4.19Å; L838-L842 WeakPolarHBondContact O-CB 3.24Å; L838-L842 WeakPolarHBondContact O-CG 3.35Å; L838-L842 PolarHBondContact O-N 2.88Å
839A97.9Very high96.6Very high54 Ų5490.3 Ų90.345%0.44647%0.473SS..Hα-helixtrans-67.9-33172.900000113S835 Q836 D837 A843S835-A839 VanDerWaalsContact O-CB 3.31Å; S835-A839 WeakPolarHBondContact O-CB 3.48Å; S835-A839 PolarHBondContact O-N 2.87Å; Q836-A839 PolarHBondContact O-N 2.73Å; D837-A839 VanDerWaalsContact C-N 3.28Å; D837-A839 PolarHBondContact O-N 3.26Å; A839-A843 VanDerWaalsContact O-CB 3.32Å; A839-A843 WeakPolarHBondContact O-CB 3.21Å; A839-A843 PolarHBondContact O-N 3.18Å
840K97.7Very high96.3Very high88 Ų8891 Ų9138%0.38348%0.476SS..Hα-helixtrans-67.6-46.3171.3-67161-151.71620110.5Q836 D837 L842 A843 I844Q836-K840 WeakPolarHBondContact O-CE 3.38Å; Q836-K840 VanDerWaalsContact O-CG 3.3Å; Q836-K840 WeakPolarHBondContact O-CG 3.49Å; Q836-K840 PolarHBondContact O-N 2.94Å; Q836-K840 VanDerWaalsContact OE1-CE 3.29Å; D837-K840 WeakPolarHBondContact O-CA 3.5Å; D837-K840 WeakPolarHBondContact O-CB 3.27Å; D837-K840 PolarHBondContact O-N 2.84Å; D837-K840 IonicContact OD1-NZ 3.29Å; D837-K840 PolarHBondContact OD1-NZ 2.93Å; K840-L842 PolarHBondContact O-N 2.74Å; K840-A843 CarbonylContact O-C 3.55Å; K840-A843 PolarHBondContact O-N 2.84Å; K840-A843 VanDerWaalsContact O-N 3.11Å; K840-I844 VanDerWaalsContact O-CG1 3.27Å; K840-I844 WeakPolarHBondContact O-CG1 3.42Å; K840-I844 PolarHBondContact O-N 3.16Å
841D98.3Very high95.8Very high105 Ų10592.2 Ų92.256%0.56149%0.486SS*.Hα-helixtrans-63.7-41.1-180-72.4-11.6000111.5D837 L838 A843 I844 L845D837-D841 PolarHBondContact O-N 3.47Å; L838-D841 PolarHBondContact O-N 3.16Å; D841-A843 PolarHBondContact O-N 3.04Å; D841-I844 PolarHBondContact O-N 3.44Å; D841-L845 VanDerWaalsContact O-CB 3.29Å; D841-L845 WeakPolarHBondContact O-CB 3.18Å; D841-L845 PolarHBondContact O-N 3.4Å
842L97.7Very high95.1Very high101 Ų10193.9 Ų93.953%0.52950%0.499SS..Hα-helixtrans-63.6-37.6171.2-73.1178.2000112.5L838 K840 A846L838-L842 HydrophobicContact CD2-CD1 3.64Å; L838-L842 HydrophobicContact CD2-CG 4.19Å; L838-L842 WeakPolarHBondContact O-CB 3.24Å; L838-L842 WeakPolarHBondContact O-CG 3.35Å; L838-L842 PolarHBondContact O-N 2.88Å; K840-L842 PolarHBondContact O-N 2.74Å; L842-A846 WeakPolarHBondContact O-CB 3.32Å; L842-A846 PolarHBondContact O-N 3.49Å
843A95.9Very high93.9Very high49 Ų4994 Ų9441%0.40550%0.5SS..Hα-helixtrans-72.9-29.4176.100000113.2A839 K840 D841 R847A839-A843 VanDerWaalsContact O-CB 3.32Å; A839-A843 WeakPolarHBondContact O-CB 3.21Å; A839-A843 PolarHBondContact O-N 3.18Å; K840-A843 CarbonylContact O-C 3.55Å; K840-A843 PolarHBondContact O-N 2.84Å; K840-A843 VanDerWaalsContact O-N 3.11Å; D841-A843 PolarHBondContact O-N 3.04Å; A843-R847 WeakPolarHBondContact O-CB 3.32Å; A843-R847 PolarHBondContact O-N 3.32Å; A843-R847 VanDerWaalsContact O-N 3.16Å
844I95.9Very high92Very high91 Ų9189.9 Ų89.947%0.46749%0.492SS..Hα-helixtrans-71-49.2171.5-69.8162000109.4K840 D841 A846 R847 E848K840-I844 VanDerWaalsContact O-CG1 3.27Å; K840-I844 WeakPolarHBondContact O-CG1 3.42Å; K840-I844 PolarHBondContact O-N 3.16Å; D841-I844 PolarHBondContact O-N 3.44Å; I844-A846 PolarHBondContact O-N 3.4Å; I844-R847 CarbonylContact O-C 3.17Å; I844-R847 WeakPolarHBondContact O-CA 3.4Å; I844-R847 WeakPolarHBondContact O-CB 3.32Å; I844-R847 PolarHBondContact O-N 3.12Å; I844-R847 VanDerWaalsContact O-N 3.11Å; I844-E848 PolarHBondContact O-N 3.28Å
845L96.5Very high90Very high85 Ų8593 Ų9345%0.44550%0.504SS..Hα-helixtrans-62.2-42.2177.7178.761.8000111.9D841 R847 E848 I849D841-L845 VanDerWaalsContact O-CB 3.29Å; D841-L845 WeakPolarHBondContact O-CB 3.18Å; D841-L845 PolarHBondContact O-N 3.4Å; L845-R847 VanDerWaalsContact C-N 3.29Å; L845-R847 PolarHBondContact O-N 3Å; L845-E848 PolarHBondContact O-N 2.9Å; L845-I849 HydrophobicContact CD1-CD1 3.99Å; L845-I849 HydrophobicContact CD1-CG1 4.22Å; L845-I849 HydrophobicContact CG-CD1 3.88Å; L845-I849 WeakPolarHBondContact O-CB 3.47Å; L845-I849 VanDerWaalsContact O-CG1 3.23Å; L845-I849 WeakPolarHBondContact O-CG1 3.37Å; L845-I849 PolarHBondContact O-N 3.49Å
846A94.9Very high88Confident45 Ų4596.7 Ų96.737%0.37252%0.517SS..Hα-helixtrans-61.7-38.4173.800000111.6L842 I844 H850L842-A846 WeakPolarHBondContact O-CB 3.32Å; L842-A846 PolarHBondContact O-N 3.49Å; I844-A846 PolarHBondContact O-N 3.4Å; A846-H850 WeakPolarHBondContact O-CB 3.32Å; A846-H850 PolarHBondContact O-CD2 2.79Å; A846-H850 PolarHBondContact O-N 2.86Å
847R93.5Very high86Confident153 Ų15397.2 Ų97.258%0.57752%0.524SS*.Hα-helixtrans-68.2-45173.7-170.2178.2-58.5128.612.6112A843 I844 L845 I849 H850 D851A843-R847 WeakPolarHBondContact O-CB 3.32Å; A843-R847 PolarHBondContact O-N 3.32Å; A843-R847 VanDerWaalsContact O-N 3.16Å; I844-R847 CarbonylContact O-C 3.17Å; I844-R847 WeakPolarHBondContact O-CA 3.4Å; I844-R847 WeakPolarHBondContact O-CB 3.32Å; I844-R847 PolarHBondContact O-N 3.12Å; I844-R847 VanDerWaalsContact O-N 3.11Å; L845-R847 VanDerWaalsContact C-N 3.29Å; L845-R847 PolarHBondContact O-N 3Å; R847-I849 VanDerWaalsContact C-N 3.32Å; R847-I849 PolarHBondContact O-N 3.42Å; R847-H850 CarbonylContact O-C 3.54Å; R847-H850 WeakPolarHBondContact O-CA 3.3Å; R847-H850 PolarHBondContact O-N 3.04Å; R847-D851 WeakPolarHBondContact O-CB 3.47Å; R847-D851 PolarHBondContact O-N 3.11Å
848E94.7Very high83.7Confident116 Ų11698.3 Ų98.354%0.54254%0.538SS..Hα-helixtrans-61.2-41177.1-174.7175-175.700111.4I844 L845 D851 V852I844-E848 PolarHBondContact O-N 3.28Å; L845-E848 PolarHBondContact O-N 2.9Å; E848-D851 PolarHBondContact O-N 3.06Å; E848-V852 HydrophobicContact CG-CG2 4.48Å; E848-V852 VanDerWaalsContact O-CB 3.3Å; E848-V852 WeakPolarHBondContact O-CB 3.34Å; E848-V852 VanDerWaalsContact O-CG2 3.24Å; E848-V852 WeakPolarHBondContact O-CG2 3.31Å; E848-V852 PolarHBondContact O-N 2.89Å
849I91.1Very high81.1Confident99 Ų9999.5 Ų99.551%0.50855%0.549SS..Hα-helixtrans-62.7-42.1171.8-69.1166.9000110.8L845 R847 A853L845-I849 HydrophobicContact CD1-CD1 3.99Å; L845-I849 HydrophobicContact CD1-CG1 4.22Å; L845-I849 HydrophobicContact CG-CD1 3.88Å; L845-I849 WeakPolarHBondContact O-CB 3.47Å; L845-I849 VanDerWaalsContact O-CG1 3.23Å; L845-I849 WeakPolarHBondContact O-CG1 3.37Å; L845-I849 PolarHBondContact O-N 3.49Å; R847-I849 VanDerWaalsContact C-N 3.32Å; R847-I849 PolarHBondContact O-N 3.42Å; I849-A853 WeakPolarHBondContact O-CB 3.24Å; I849-A853 PolarHBondContact O-N 2.64Å
850H90.1Very high78.8Confident137 Ų137101.5 Ų101.563%0.63456%0.56SS**Hα-helixtrans-69.6-32175.3-87.3-66000113.9A846 R847 G854A846-H850 WeakPolarHBondContact O-CB 3.32Å; A846-H850 PolarHBondContact O-CD2 2.79Å; A846-H850 PolarHBondContact O-N 2.86Å; R847-H850 CarbonylContact O-C 3.54Å; R847-H850 WeakPolarHBondContact O-CA 3.3Å; R847-H850 PolarHBondContact O-N 3.04Å; H850-G854 WeakPolarHBondContact O-CA 3.36Å; H850-G854 PolarHBondContact O-N 3.01Å
851D86.4Confident76.3Confident108 Ų108103 Ų10358%0.57858%0.581SS**Hα-helixtrans-73.2-41.1176.6-67.3-21.8000109.9R847 E848R847-D851 WeakPolarHBondContact O-CB 3.47Å; R847-D851 PolarHBondContact O-N 3.11Å; E848-D851 PolarHBondContact O-N 3.06Å
852V82Confident73.6Confident118 Ų118104.2 Ų104.272%0.71560%0.598SS**Hα-helixtrans-75.2-34.8178.5171.90000113E848E848-V852 HydrophobicContact CG-CG2 4.48Å; E848-V852 VanDerWaalsContact O-CB 3.3Å; E848-V852 WeakPolarHBondContact O-CB 3.34Å; E848-V852 VanDerWaalsContact O-CG2 3.24Å; E848-V852 WeakPolarHBondContact O-CG2 3.31Å; E848-V852 PolarHBondContact O-N 2.89Å
853A72.4Confident70.8Confident60 Ų60102.8 Ų102.850%0.49661%0.607SS.*Hα-helixtrans-99.9-17.4-178.600000114.3I849 I856I849-A853 WeakPolarHBondContact O-CB 3.24Å; I849-A853 PolarHBondContact O-N 2.64Å; A853-I856 WeakPolarHBondContact O-CG1 3.39Å
854G59.1Low67.9Low23 Ų23107.1 Ų107.124%0.23763%0.629CS.*Hα-helixtrans-99.2-2.5-175.600000115.5H850 I856 D857H850-G854 WeakPolarHBondContact O-CA 3.36Å; H850-G854 PolarHBondContact O-N 3.01Å; G854-I856 PolarHBondContact O-N 3.23Å; G854-D857 PolarHBondContact O-N 3.11Å; G854-D857 VanDerWaalsContact O-N 3.14Å
855E54.8Low64.9Low159 Ų159107.3 Ų107.374%0.74364%0.644SS**THydrogen-bonded Turntrans-59.7-18.5173.7-158.2176.3-140.100112.2D857E855-D857 VanDerWaalsContact C-N 3.34Å; E855-D857 PolarHBondContact O-N 2.77Å
856I55.9Low62.2Low144 Ų144109.4 Ų109.474%0.73866%0.663SS**THydrogen-bonded Turntrans-67.5-22.7175.463.1179.7000115.2A853 G854A853-I856 WeakPolarHBondContact O-CG1 3.39Å; G854-I856 PolarHBondContact O-N 3.23Å
857D55.5Low59.1Low130 Ų130112 Ų11270%0.69568%0.679SS**THydrogen-bonded Turntrans-110.4-19.3-174.9-140.87.2000112.7G854 E855 V859 S860G854-D857 PolarHBondContact O-N 3.11Å; G854-D857 VanDerWaalsContact O-N 3.14Å; E855-D857 VanDerWaalsContact C-N 3.34Å; E855-D857 PolarHBondContact O-N 2.77Å; D857-V859 PolarHBondContact O-N 3.33Å; D857-V859 VanDerWaalsContact O-N 3.12Å; D857-S860 PolarHBondContact O-N 3.26Å
858S48.9Very low56.3Low98 Ų98110.3 Ų110.369%0.68569%0.685SS**G310 helixtrans-68.7-9-179.2-65.30000114.8S860S858-S860 PolarHBondContact O-N 3.01Å
859V43.4Very low53.4Low126 Ų126110.8 Ų110.876%0.76470%0.696SS**G310 helixtrans-72.3-7.1177-92.50000114.5D857D857-V859 PolarHBondContact O-N 3.33Å; D857-V859 VanDerWaalsContact O-N 3.12Å
860S49.6Very low50.7Low97 Ų97112 Ų11268%0.67871%0.708SS**G310 helixtrans-103.938.4-177.1-66.80000115.6D857 S858D857-S860 PolarHBondContact O-N 3.26Å; S858-S860 PolarHBondContact O-N 3.01Å
861S46.4Very low47.8Very low119 Ų119110.3 Ų110.383%0.83271%0.711SS**SBendtrans-16164.5163.8-88.30000116.8
862S41.5Very low45.2Very low130 Ų130111 Ų11191%0.90972%0.72SS**  trans-170.5102.7143.9-170.80000110.2
863G38.8Very low42.7Very low71 Ų71110.3 Ų110.373%0.73273%0.726SS**  trans-159.97.4-162.900000119.9
864T34.1Very low40.7Very low141 Ų141111.4 Ų111.487%0.86574%0.735SS**  trans-158.9115.6164.1-16.80000113.9
865A32.6Very low39.5Very low95 Ų95116.9 Ų116.979%0.78576%0.764SS**  trans-106.7132.2149.700000107.3
866P40.8Very low38.5Very low128 Ų128115.5 Ų115.583%0.83177%0.767SS**  trans-83.1132.8-173.531.5-33.7000111.8
867S28.9Very low37.8Very low101 Ų101114.5 Ų114.571%0.70677%0.77SS**  trans-141.5101.9159.9-160.80000112.5
868T34.7Very low36.6Very low117 Ų117111.6 Ų111.672%0.71877%0.771SS**  trans65.2132.1135.657.30000121.9
869T35.4Very low35.7Very low125 Ų125112.6 Ų112.677%0.76778%0.778SS**  trans8998.9148.649.20000122.4
870V32.6Very low35.1Very low124 Ų124110.2 Ų110.275%0.75277%0.771SS**  79.2106.2121176.60000119.7
871S29.3Very low34.3Very low102 Ų102113 Ų11371%0.71378%0.777SS**  trans69.1146.4141.3-62.90000120.4
872T32.3Very low33.7Very low123 Ų123113.4 Ų113.476%0.75577%0.77SS**  cis-164.5140.6-8.216.10000110.1
873A29.7Very low33.3Very low103 Ų103112.6 Ų112.685%0.85176%0.76SS**  trans60.9153.3155.600000118.9
874A29.9Very low33.1Very low83 Ų83119.1 Ų119.169%0.68676%0.762SS**  cis-163.7-173.6-20.800000109.7
875T34.1Very low33.4Very low138 Ų138119.9 Ų119.985%0.84776%0.756SS**  trans61.996.7163.6580000119.9
876T34.9Very low33.6Very low130 Ų130123.9 Ų123.980%0.79876%0.758SS**  -78.2159.5128.5-6.40000108.3
877P41.2Very low33.8Very low123 Ų123123 Ų12380%0.79975%0.746SS**  -112.2178.456.8321.2000112.2
878G29.8Very low34Very low69 Ų69125.9 Ų125.971%0.71176%0.759SS**  cis85.5138.435.300000110.3
879S29.7Very low34.1Very low120 Ų120126 Ų12684%0.83976%0.755SS**  cis-169.6164.2-6.8-172.90000108
880A31.3Very low34.3Very low75 Ų75130.1 Ų130.162%0.6276%0.757SS**  trans69.3140.1153.600000121.5
881I32.8Very low34.5Very low156 Ų156130.8 Ų130.880%0.876%0.761SS**  trans59.8168.6150.169164.2000118.7
882D32.8Very low34.6Very low128 Ų128136 Ų13668%0.68477%0.771SS**  cis-137-178.5-5.1-145.4-42.8000111.4
883T33.7Very low34.3Very low113 Ų113137.9 Ų137.969%0.69378%0.776SS**  trans-67.1168.1174.754.20000115.5
884R34.5Very low34.5Very low208 Ų208141.4 Ų141.479%0.78578%0.775SS**  trans90.8133148.9-109.4-178.9108.2175.90.8118.9
885E40.7Very low34.5Very low156 Ų156141.7 Ų141.773%0.72977%0.772SS**  trans67.171.4154.1-50.2-168.117600118.3
886E36.4Very low34.8Very low179 Ų179141.7 Ų141.784%0.83677%0.766SS**  trans-118113.6151.5-162.9172.7-160.200111.2
887L45.8Very low34.6Very low111 Ų111142.5 Ų142.558%0.58176%0.759SS**  trans25.990.5161.1-75.767.4000118.7D889 R890L887-D889 HydrophobicContact CB-CB 4.36Å; L887-D889 HydrophobicContact CG-CB 4.46Å; L887-D889 PolarHBondContact O-N 3.26Å; L887-R890 VanDerWaalsContact CD2-NH2 3.26Å
888V32.9Very low34.2Very low160 Ų160146.1 Ų146.197%0.9776%0.762SS**  trans-77.655.8149.7-173.10000108.8
889D36.9Very low34.6Very low120 Ų120150 Ų15064%0.64276%0.756SS**  trans-153.879.1-165.9-153.94.3000114.3L887L887-D889 HydrophobicContact CB-CB 4.36Å; L887-D889 HydrophobicContact CG-CB 4.46Å; L887-D889 PolarHBondContact O-N 3.26Å
890R38.2Very low34.8Very low211 Ų211150.8 Ų150.880%0.79674%0.744SS**SBendtrans-179.76.2148.2-110.1165.4-67.8-177.82.8118.4L887L887-R890 VanDerWaalsContact CD2-NH2 3.26Å
891V37.4Very low35.2Very low139 Ų139153 Ų15384%0.84274%0.744SS**SBendtrans-124.933.9-179.3-153.80000113
892F30.7Very low35.6Very low212 Ų212150.5 Ų150.593%0.9374%0.738SS**SBendtrans-154.562.4163.9-113.4-65.2000112.9
893D26Very low35.7Very low161 Ų161149.7 Ų149.786%0.86174%0.74SS**  trans-151.4177.1149.7-146.2-21.2000110.8
894E33.8Very low35.5Very low177 Ų177150.1 Ų150.183%0.82774%0.742SS**  trans66.966.6-177.3-157.6158.3-148.900116.5
895S31.4Very low35.3Very low90 Ų90147.8 Ų147.863%0.62974%0.743SS**  trans-56.9172.5152.566.60000114.2
896L38.8Very low34.7Very low137 Ų137145.2 Ų145.272%0.71774%0.742SS**  trans85.1119.4172.5-52.2161.1000115.1
897K31.8Very low34.3Very low148 Ų148141.9 Ų141.964%0.64374%0.739SS**  cis-144.4165.219.2-53.688.3-162.6144.70107.6
898F33.7Very low33.3Very low199 Ų199143.2 Ų143.287%0.87375%0.747SS**  cis-155.8173.240.4-75.4-87.1000112.2
899R36.3Very low33.1Very low151 Ų151144.6 Ų144.657%0.5774%0.74SS**  trans-113.4158.4167.4-71.4174.565.2-168.2-5.7111E329 N331E329-R899 VanDerWaalsContact CD-NH2 3.28Å; E329-R899 IonicContact OE1-CZ 2.6Å; E329-R899 IonicContact OE1-NH1 3.28Å; E329-R899 IonicContact OE1-NH2 3.05Å; E329-R899 PolarHBondContact OE1-NH2 3.04Å; E329-R899 IonicContact OE2-NH2 2.64Å; E329-R899 PolarHBondContact OE2-NH2 3.46Å; N331-R899 PolarHBondContact ND2-NH2 3.46Å; N331-R899 VanDerWaalsContact ND2-NH2 3.19Å; N331-R899 PolarHBondContact OD1-NE 3.05Å; N331-R899 PolarHBondContact OD1-NH2 3.2Å
900K35.5Very low33Very low136 Ų136143.7 Ų143.759%0.59174%0.741SS**  trans118.6103.4137-135.788.9177.5-171.30118E329E329-K900 IonicContact OE2-NZ 3.62Å; E329-K900 PolarHBondContact OE2-NZ 3.2Å
901I38.8Very low33.3Very low121 Ų121139.3 Ų139.362%0.62174%0.739SS**  trans-42.9167.3150.728.4168.7000114.6
902P40.6Very low32.8Very low104 Ų104141 Ų14168%0.67574%0.738SS**  cis-151.8-173.733.346.3-26.5000119.2
903P35.8Very low32.9Very low111 Ų111137.1 Ų137.172%0.72173%0.725SS**  trans-115158.3138.337.3-29.2000112.4
904V29.3Very low33Very low122 Ų122137.1 Ų137.174%0.73973%0.726SS**  cis88.7105.59.4-177.60000114.5
905I30.6Very low32.9Very low159 Ų159132.3 Ų132.382%0.81572%0.724SS**  cis-140.3-126.2-11.3-35.5175.4000110.9
906S28Very low32.9Very low101 Ų101137.8 Ų137.871%0.70674%0.736SS**  trans-149.6176.1-168.7-39.20000114.3
907S27.7Very low32.8Very low110 Ų110136.5 Ų136.577%0.76974%0.736SS**  trans78.3150.116588.50000116.4
908N25.7Very low32.6Very low139 Ų139135 Ų13574%0.74374%0.739SS**  cis-136.1-175.610.1-114.9-80.5000109.3
909K28.9Very low32.2Very low188 Ų188132.7 Ų132.782%0.81773%0.731SS**  cis-149.1-177.96.1-129.4-150.9169-171.40108.4
910P34.8Very low31.9Very low102 Ų102132.5 Ų132.566%0.66274%0.736SS**  trans-97.8167.3-168.739.7-38000116
911P43.1Very low31.7Very low118 Ų118133.1 Ų133.177%0.76674%0.741SS**  trans-86.3140162.635-31.6000112.1
912E27.3Very low31.2Very low175 Ų175133.2 Ų133.282%0.81875%0.749SS**  trans177.1152.2138.7-106.4-179.2176.700113.9
913I33.5Very low30.6Very low130 Ų130139 Ų13967%0.66776%0.757SS**  trans49.2107.2152.5-56160.3000118.3
914N28.4Very low30.4Very low162 Ų162137.6 Ų137.687%0.86676%0.756SS**  -174.6143119.7-103.6-60000113.5
915G30.5Very low30.9Very low76 Ų76137.1 Ų137.178%0.78476%0.755SS**  trans92.2136.2153.600000118.9
916K31.7Very low30.7Very low204 Ų204137.4 Ų137.489%0.88776%0.758SS**  trans-93.7179.3153.5-45.1-175.5-179.5-177.50107.8
917P37.4Very low30.8Very low110 Ų110135.9 Ų135.971%0.71476%0.759SS**  cis-138.9-174.8-0.840.5-20.1000115
918V27.4Very low30.9Very low116 Ų116142.6 Ų142.670%0.70377%0.767SS**  trans58.4119.6134.3159.10000121.7
919E25.6Very low31.2Very low151 Ų151142.1 Ų142.171%0.70676%0.76SS**  trans86152.2139.2-83.6179.8140.100126.1
920H29.8Very low31.6Very low147 Ų147139.2 Ų139.268%0.68176%0.761SS**  trans65.899152.9-60.3-18.9000122.4
921Q31.3Very low31.7Very low150 Ų150144.3 Ų144.370%0.70177%0.767SS**  44.4118100.2-170.991.966.200118.5
922P28.8Very low31.6Very low122 Ų122143 Ų14379%0.79277%0.766SS**  trans-97.7155.3135.9-14.631.7000111.9
923R26.3Very low31.9Very low225 Ų225142.3 Ų142.385%0.84977%0.767SS**  trans-124.9153.9173.1-169.7172.5177.1104.5-2.3109.4
924A31.8Very low32.5Very low83 Ų83148 Ų14869%0.68678%0.78SS**  trans-50163.3168.500000112.7
925P41.1Very low33.2Very low112 Ų112150.4 Ų150.473%0.72778%0.777SS**  cis-145.4174.329.244.4-26.2000117.9
926D25.1Very low33.8Very low165 Ų165156.5 Ų156.588%0.88278%0.776SS**  -172.7172.6113.9-104.3-19.3000110.5
927G31Very low34.4Very low69 Ų69153.2 Ų153.271%0.71177%0.774SS**  trans-169.5165.7179.600000117
928R30.3Very low34.8Very low250 Ų250157.2 Ų157.294%0.94378%0.775SS**  trans-160.4154.7163.5-102.4153.8-162.8-89.5-0109.8
929E31.4Very low36.2Very low129 Ų129154.8 Ų154.860%0.60376%0.758SS**  trans-68161.4-179.7-65.4-173.9145.400112.6R931E929-R931 VanDerWaalsContact CD-NE 3.27Å; E929-R931 IonicContact OE1-CZ 3.35Å; E929-R931 IonicContact OE1-NE 2.64Å; E929-R931 PolarHBondContact OE1-NE 3.05Å; E929-R931 IonicContact OE1-NH2 3.09Å; E929-R931 PolarHBondContact OE1-NH2 2.95Å; E929-R931 VanDerWaalsContact OE1-NH2 3.09Å; E929-R931 VanDerWaalsContact OE2-CD 3.25Å; E929-R931 WeakPolarHBondContact OE2-CD 3.31Å; E929-R931 VanDerWaalsContact OE2-CG 3.3Å; E929-R931 WeakPolarHBondContact OE2-CG 3.46Å; E929-R931 IonicContact OE2-CZ 3.87Å; E929-R931 IonicContact OE2-NE 2.74Å; E929-R931 PolarHBondContact OE2-NE 3.45Å
930P36.3Very low38.1Very low127 Ų127157.6 Ų157.683%0.82576%0.762SS**  -124116.6115.334-31.4000113.6A932P930-A932 PolarHBondContact O-N 2.8Å
931R36.6Very low39.8Very low209 Ų209158.1 Ų158.179%0.78977%0.765SS**  trans-79.4106.2165.7-79.5176.1-170.9-165.55.5110.8E929E929-R931 VanDerWaalsContact CD-NE 3.27Å; E929-R931 IonicContact OE1-CZ 3.35Å; E929-R931 IonicContact OE1-NE 2.64Å; E929-R931 PolarHBondContact OE1-NE 3.05Å; E929-R931 IonicContact OE1-NH2 3.09Å; E929-R931 PolarHBondContact OE1-NH2 2.95Å; E929-R931 VanDerWaalsContact OE1-NH2 3.09Å; E929-R931 VanDerWaalsContact OE2-CD 3.25Å; E929-R931 WeakPolarHBondContact OE2-CD 3.31Å; E929-R931 VanDerWaalsContact OE2-CG 3.3Å; E929-R931 WeakPolarHBondContact OE2-CG 3.46Å; E929-R931 IonicContact OE2-CZ 3.87Å; E929-R931 IonicContact OE2-NE 2.74Å; E929-R931 PolarHBondContact OE2-NE 3.45Å
932A41.9Very low41.6Very low91 Ų91154.7 Ų154.775%0.75275%0.749SS**  trans-146.410.2172.800000117.7P930P930-A932 PolarHBondContact O-N 2.8Å
933L33.5Very low43.7Very low161 Ų161150.6 Ų150.684%0.84373%0.725SS**  trans-152135162-151.362.3000115.6R935L933-R935 PolarHBondContact O-N 3.46Å
934R45.2Very low46.2Very low248 Ų248144.3 Ų144.394%0.93671%0.712SS**  trans-72.6101.8171.6-80178159.3-161.5-3.2111.1
935R44.2Very low48.4Very low214 Ų214144.2 Ų144.281%0.80870%0.699SS**  trans-131.2138.9145.1-67.5-166.9-172.5-125.20.5109.7L933 T937L933-R935 PolarHBondContact O-N 3.46Å; R935-T937 PolarHBondContact O-N 2.7Å; R935-T937 VanDerWaalsContact O-N 3.16Å
936R43.9Very low50.4Low203 Ų203140.1 Ų140.177%0.76667%0.671SS**  trans-65107.9-179.8174.4-178.5175.5107.8-9.4108.4W938R936-W938 PolarHBondContact O-N 2.93Å
937T43.4Very low53.3Low136 Ų136135.8 Ų135.883%0.83465%0.654SS**  trans-60.4109.4166470000107.6R935R935-T937 PolarHBondContact O-N 2.7Å; R935-T937 VanDerWaalsContact O-N 3.16Å
938W45Very low56.1Low194 Ų194137.5 Ų137.574%0.73565%0.646SS**  trans-61.5140171.3-83.691.4000109R936 R940R936-W938 PolarHBondContact O-N 2.93Å; W938-R940 PolarHBondContact O-N 3.32Å
939N58Low58.8Low65 Ų65126.5 Ų126.535%0.34861%0.606SS.*  trans-69.298174.7-169.9-13.6000108.2E941 E942 A943N939-E941 VanDerWaalsContact C-N 3.33Å; N939-E941 PolarHBondContact O-N 3.1Å; N939-E941 WeakPolarHBondContact OD1-CG 3.47Å; N939-E942 HydrophobicContact CB-CB 4.07Å; N939-E942 HydrophobicContact CB-CG 4.47Å; N939-E942 VanDerWaalsContact ND2-CD 3.29Å; N939-E942 VanDerWaalsContact ND2-CG 3.34Å; N939-E942 WeakPolarHBondContact ND2-CG 3.41Å; N939-E942 PolarHBondContact ND2-OE2 3.46Å; N939-E942 PolarHBondContact O-N 3.47Å; N939-E942 PolarHBondContact OD1-N 2.85Å; N939-A943 VanDerWaalsContact O-CB 3.23Å; N939-A943 WeakPolarHBondContact O-CB 3.29Å; N939-A943 PolarHBondContact O-N 3.45Å
940R64.6Low61.5Low210 Ų210125 Ų12579%0.79260%0.601SS**Hα-helixtrans-68.5-33.5-169.3-175.2175.9174.4119.2-1.5112.1W938 V944W938-R940 PolarHBondContact O-N 3.32Å; R940-V944 WeakPolarHBondContact O-CB 3.47Å; R940-V944 WeakPolarHBondContact O-CG2 3.49Å; R940-V944 PolarHBondContact O-N 3.49Å
941E66.6Low64.1Low158 Ų158124.5 Ų124.574%0.73859%0.587SS**Hα-helixtrans-72.1-45.8176.547.8-171.4-141.100111.7N939 V944 L945N939-E941 VanDerWaalsContact C-N 3.33Å; N939-E941 PolarHBondContact O-N 3.1Å; N939-E941 WeakPolarHBondContact OD1-CG 3.47Å; E941-V944 PolarHBondContact O-N 2.91Å; E941-L945 WeakPolarHBondContact O-CB 3.5Å; E941-L945 PolarHBondContact O-N 3.41Å
942E68.4Low66.7Low77 Ų77116.3 Ų116.336%0.3656%0.563SS.*Hα-helixtrans-63.4-42.2171.7-75.8-172.2124.500112N939 V944 L945 D946 S1001N939-E942 HydrophobicContact CB-CB 4.07Å; N939-E942 HydrophobicContact CB-CG 4.47Å; N939-E942 VanDerWaalsContact ND2-CD 3.29Å; N939-E942 VanDerWaalsContact ND2-CG 3.34Å; N939-E942 WeakPolarHBondContact ND2-CG 3.41Å; N939-E942 PolarHBondContact ND2-OE2 3.46Å; N939-E942 PolarHBondContact O-N 3.47Å; N939-E942 PolarHBondContact OD1-N 2.85Å; E942-V944 VanDerWaalsContact C-N 3.32Å; E942-V944 PolarHBondContact O-N 2.88Å; E942-L945 PolarHBondContact O-N 3.26Å; E942-D946 WeakPolarHBondContact O-CB 3.5Å; E942-D946 PolarHBondContact O-N 2.9Å; E942-S1001 VanDerWaalsContact OE1-CB 3.23Å; E942-S1001 WeakPolarHBondContact OE1-CB 3.42Å; E942-S1001 PolarHBondContact OE1-OG 3.39Å
943A73.6Confident69.2Low37 Ų37113.3 Ų113.331%0.30653%0.534SS..Hα-helixtrans-65.9-32.818000000112.9N939 S947N939-A943 VanDerWaalsContact O-CB 3.23Å; N939-A943 WeakPolarHBondContact O-CB 3.29Å; N939-A943 PolarHBondContact O-N 3.45Å; A943-S947 VanDerWaalsContact O-CB 3.29Å; A943-S947 WeakPolarHBondContact O-CB 3.3Å; A943-S947 PolarHBondContact O-N 2.9Å; A943-S947 PolarHBondContact O-OG 2.97Å
944V77.4Confident72Confident93 Ų93108.5 Ų108.556%0.56451%0.514SS*.Hα-helixtrans-72-40.9172.7165.60000110.8R940 E941 E942 S947 L948R940-V944 WeakPolarHBondContact O-CB 3.47Å; R940-V944 WeakPolarHBondContact O-CG2 3.49Å; R940-V944 PolarHBondContact O-N 3.49Å; E941-V944 PolarHBondContact O-N 2.91Å; E942-V944 VanDerWaalsContact C-N 3.32Å; E942-V944 PolarHBondContact O-N 2.88Å; V944-S947 PolarHBondContact O-N 2.64Å; V944-L948 WeakPolarHBondContact O-CB 3.46Å; V944-L948 PolarHBondContact O-N 2.7Å
945L79.5Confident74.3Confident80 Ų80102.4 Ų102.442%0.41950%0.497SS..Hα-helixtrans-63.8-44.1175.3-177.161.3000111.8E941 E942 L948 L949E941-L945 WeakPolarHBondContact O-CB 3.5Å; E941-L945 PolarHBondContact O-N 3.41Å; E942-L945 PolarHBondContact O-N 3.26Å; L945-L948 PolarHBondContact O-N 3.21Å; L945-L949 HydrophobicContact CG-CD1 4.26Å; L945-L949 VanDerWaalsContact O-CG 3.29Å; L945-L949 WeakPolarHBondContact O-CG 3.41Å; L945-L949 PolarHBondContact O-N 2.85Å
946D82.8Confident76.7Confident26 Ų2693 Ų9314%0.13946%0.462CS..Hα-helixtrans-65.4-38.9175.3-78.8-16.1000111.5E942 L948 L949 I950 N1002 I1005E942-D946 WeakPolarHBondContact O-CB 3.5Å; E942-D946 PolarHBondContact O-N 2.9Å; D946-L948 VanDerWaalsContact C-N 3.31Å; D946-L948 PolarHBondContact O-N 2.86Å; D946-L949 PolarHBondContact O-N 3.16Å; D946-I950 WeakPolarHBondContact O-CB 3.42Å; D946-I950 WeakPolarHBondContact O-CD1 3.31Å; D946-I950 VanDerWaalsContact O-CG1 3.23Å; D946-I950 WeakPolarHBondContact O-CG1 3.33Å; D946-I950 PolarHBondContact O-N 3.07Å; D946-N1002 WeakPolarHBondContact OD1-CB 3.26Å; D946-N1002 PolarHBondContact OD2-ND2 3.41Å; D946-I1005 HydrophobicContact CB-CD1 4.42Å
947S85.8Confident79.1Confident75 Ų7584.4 Ų84.452%0.52443%0.433SS..Hα-helixtrans-61.1-39.9172.7-62.20000111.8A943 V944 I950 H951A943-S947 VanDerWaalsContact O-CB 3.29Å; A943-S947 WeakPolarHBondContact O-CB 3.3Å; A943-S947 PolarHBondContact O-N 2.9Å; A943-S947 PolarHBondContact O-OG 2.97Å; V944-S947 PolarHBondContact O-N 2.64Å; S947-I950 PolarHBondContact O-N 3.27Å; S947-H951 WeakPolarHBondContact O-CB 3.24Å; S947-H951 PolarHBondContact O-N 2.65Å
948L89.5Confident81.4Confident104 Ų10480.3 Ų80.355%0.54541%0.408SS..Hα-helixtrans-69.8-36.5175.6-177.561.7000112.2V944 L945 D946 H951 S952V944-L948 WeakPolarHBondContact O-CB 3.46Å; V944-L948 PolarHBondContact O-N 2.7Å; L945-L948 PolarHBondContact O-N 3.21Å; D946-L948 VanDerWaalsContact C-N 3.31Å; D946-L948 PolarHBondContact O-N 2.86Å; L948-H951 PolarHBondContact O-N 3Å; L948-S952 WeakPolarHBondContact O-CB 3.31Å; L948-S952 PolarHBondContact O-N 2.87Å; L948-S952 PolarHBondContact O-OG 3.42Å
949L87.1Confident83.7Confident20 Ų2077 Ų7711%0.10540%0.399CS..Hα-helixtrans-66.6-42.9173.2-70.2166.4000111.4L945 D946 S952 V953 T1000 I1005 L1009L945-L949 HydrophobicContact CG-CD1 4.26Å; L945-L949 VanDerWaalsContact O-CG 3.29Å; L945-L949 WeakPolarHBondContact O-CG 3.41Å; L945-L949 PolarHBondContact O-N 2.85Å; D946-L949 PolarHBondContact O-N 3.16Å; L949-S952 WeakPolarHBondContact O-CB 3.28Å; L949-S952 PolarHBondContact O-N 3.21Å; L949-V953 WeakPolarHBondContact O-CB 3.45Å; L949-V953 WeakPolarHBondContact O-CG2 3.34Å; L949-V953 PolarHBondContact O-N 3.37Å; L949-T1000 HydrophobicContact CD1-CG2 3.81Å; L949-T1000 HydrophobicContact CD2-CG2 4.44Å; L949-I1005 HydrophobicContact CB-CG2 3.79Å; L949-L1009 HydrophobicContact CD2-CD2 3.92Å
950I87.9Confident85.4Confident96 Ų9674.6 Ų74.649%0.49239%0.386SS..Hα-helixtrans-63.9-41.5174.7-69.3163.8000110.6D946 S947 V953 S954 I1005D946-I950 WeakPolarHBondContact O-CB 3.42Å; D946-I950 WeakPolarHBondContact O-CD1 3.31Å; D946-I950 VanDerWaalsContact O-CG1 3.23Å; D946-I950 WeakPolarHBondContact O-CG1 3.33Å; D946-I950 PolarHBondContact O-N 3.07Å; S947-I950 PolarHBondContact O-N 3.27Å; I950-V953 PolarHBondContact O-N 2.69Å; I950-S954 WeakPolarHBondContact O-CB 3.4Å; I950-S954 PolarHBondContact O-N 2.83Å; I950-I1005 HydrophobicContact CD1-CD1 4.11Å; I950-I1005 HydrophobicContact CG1-CD1 4.01Å; I950-I1005 HydrophobicContact CG1-CG2 4.17Å
951H91.5Very high86.7Confident117 Ų11770.7 Ų70.754%0.54237%0.371SS..Hα-helixtrans-62.4-43173.2-171.780.9000111.6S947 L948 S954 Q955S947-H951 WeakPolarHBondContact O-CB 3.24Å; S947-H951 PolarHBondContact O-N 2.65Å; L948-H951 PolarHBondContact O-N 3Å; H951-S954 PolarHBondContact O-N 3.45Å; H951-Q955 WeakPolarHBondContact O-CB 3.4Å; H951-Q955 PolarHBondContact O-N 3.34Å
952S91.5Very high87.7Confident38 Ų3869 Ų6927%0.26636%0.363SS..Hα-helixtrans-62.9-42.5176.1-57.10000112.3L948 L949 L956L948-S952 WeakPolarHBondContact O-CB 3.31Å; L948-S952 PolarHBondContact O-N 2.87Å; L948-S952 PolarHBondContact O-OG 3.42Å; L949-S952 WeakPolarHBondContact O-CB 3.28Å; L949-S952 PolarHBondContact O-N 3.21Å; S952-L956 WeakPolarHBondContact O-CB 3.46Å; S952-L956 PolarHBondContact O-N 2.88Å
953V94.3Very high88.8Confident27 Ų2766.2 Ų66.216%0.16435%0.352CS..Hα-helixtrans-61.4-45.6173.3162.20000110.6L949 I950 L956 S957 I1005 I1008 L1009 L1012L949-V953 WeakPolarHBondContact O-CB 3.45Å; L949-V953 WeakPolarHBondContact O-CG2 3.34Å; L949-V953 PolarHBondContact O-N 3.37Å; I950-V953 PolarHBondContact O-N 2.69Å; V953-L956 PolarHBondContact O-N 2.9Å; V953-S957 VanDerWaalsContact O-CB 3.28Å; V953-S957 WeakPolarHBondContact O-CB 3.49Å; V953-S957 PolarHBondContact O-N 3.18Å; V953-I1005 HydrophobicContact CG2-CG2 4.18Å; V953-I1008 HydrophobicContact CG1-CG2 3.76Å; V953-I1008 HydrophobicContact CG2-CG2 4.15Å; V953-L1009 HydrophobicContact CG2-CB 3.75Å; V953-L1009 HydrophobicContact CG2-CD1 3.91Å; V953-L1009 HydrophobicContact CG2-CG 4.36Å; V953-L1012 HydrophobicContact CB-CD1 4.46Å; V953-L1012 HydrophobicContact CG1-CD1 3.87Å
954S90.8Very high89.7Confident60 Ų6067.7 Ų67.742%0.4236%0.358SS..Hα-helixtrans-62.2-53178.8-173.70000111.7I950 H951 L956 S957 T958I950-S954 WeakPolarHBondContact O-CB 3.4Å; I950-S954 PolarHBondContact O-N 2.83Å; H951-S954 PolarHBondContact O-N 3.45Å; S954-L956 VanDerWaalsContact C-N 3.32Å; S954-L956 PolarHBondContact O-N 2.86Å; S954-S957 PolarHBondContact O-N 2.83Å; S954-S957 VanDerWaalsContact O-N 3.11Å; S954-S957 PolarHBondContact O-OG 2.95Å; S954-T958 PolarHBondContact O-N 3.24Å; S954-T958 PolarHBondContact O-OG1 2.84Å
955Q94.8Very high90.1Very high121 Ų12167.8 Ų67.857%0.56536%0.355SS*.Hα-helixtrans-59.4-40.1178.3-173.3-173.619.900112.4H951 T958 K959H951-Q955 WeakPolarHBondContact O-CB 3.4Å; H951-Q955 PolarHBondContact O-N 3.34Å; Q955-T958 PolarHBondContact O-OG1 3.08Å; Q955-K959 WeakPolarHBondContact O-CB 3.5Å; Q955-K959 PolarHBondContact O-N 2.9Å; Q955-K959 VanDerWaalsContact O-N 3.09Å
956L94.2Very high90.5Very high15 Ų1569.5 Ų69.58%0.07936%0.356CS..Hα-helixtrans-70.4-39.2176-176.154.7000111.2S952 V953 S954 T958 K959 I960 L1009 L1012 K1013 E1016S952-L956 WeakPolarHBondContact O-CB 3.46Å; S952-L956 PolarHBondContact O-N 2.88Å; V953-L956 PolarHBondContact O-N 2.9Å; S954-L956 VanDerWaalsContact C-N 3.32Å; S954-L956 PolarHBondContact O-N 2.86Å; L956-T958 PolarHBondContact O-N 2.98Å; L956-K959 PolarHBondContact O-N 2.88Å; L956-I960 HydrophobicContact CD1-CD1 3.99Å; L956-I960 HydrophobicContact CD1-CG1 4.23Å; L956-I960 HydrophobicContact CG-CD1 3.81Å; L956-I960 HydrophobicContact CG-CG1 4.5Å; L956-I960 WeakPolarHBondContact O-CB 3.3Å; L956-I960 WeakPolarHBondContact O-CD1 3.05Å; L956-I960 VanDerWaalsContact O-CG1 3.25Å; L956-I960 WeakPolarHBondContact O-CG1 2.88Å; L956-I960 PolarHBondContact O-N 3.37Å; L956-L1009 HydrophobicContact CD2-CD1 4.02Å; L956-L1012 HydrophobicContact CD2-CB 3.62Å; L956-L1012 HydrophobicContact CG-CB 3.97Å; L956-K1013 HydrophobicContact CD2-CB 4.33Å; L956-K1013 HydrophobicContact CD2-CG 3.46Å; L956-K1013 VanDerWaalsContact CD2-CG 3.46Å; L956-E1016 HydrophobicContact CD1-CB 4.11Å; L956-E1016 VanDerWaalsContact CD1-CD 3.45Å; L956-E1016 HydrophobicContact CD1-CG 4.21Å; L956-E1016 WeakPolarHBondContact CD1-OE2 3.34Å
957S94.3Very high90.8Very high24 Ų2468.4 Ų68.417%0.16835%0.35CS..Hα-helixtrans-64.5-38.3176.584.50000112.9V953 S954 R961V953-S957 VanDerWaalsContact O-CB 3.28Å; V953-S957 WeakPolarHBondContact O-CB 3.49Å; V953-S957 PolarHBondContact O-N 3.18Å; S954-S957 PolarHBondContact O-N 2.83Å; S954-S957 VanDerWaalsContact O-N 3.11Å; S954-S957 PolarHBondContact O-OG 2.95Å; S957-R961 VanDerWaalsContact C-NH1 3.29Å; S957-R961 VanDerWaalsContact CB-NH1 3.32Å; S957-R961 WeakPolarHBondContact O-CG 3.48Å; S957-R961 PolarHBondContact O-N 3.23Å; S957-R961 PolarHBondContact O-NH1 2.97Å; S957-R961 VanDerWaalsContact O-NH1 3.1Å; S957-R961 PolarHBondContact OG-NH1 3.28Å
958T91.1Very high90.8Very high50 Ų5066.6 Ų66.631%0.30734%0.34SS..Hα-helixtrans-68.1-44.5175.253.50000110.7S954 Q955 L956 I960 R961 H962S954-T958 PolarHBondContact O-N 3.24Å; S954-T958 PolarHBondContact O-OG1 2.84Å; Q955-T958 PolarHBondContact O-OG1 3.08Å; L956-T958 PolarHBondContact O-N 2.98Å; T958-I960 VanDerWaalsContact C-N 3.32Å; T958-I960 PolarHBondContact O-N 2.82Å; T958-R961 VanDerWaalsContact CG2-NH2 3.28Å; T958-R961 PolarHBondContact O-N 2.86Å; T958-H962 PolarHBondContact O-CD2 3.35Å; T958-H962 PolarHBondContact O-N 3.04Å
959K94.6Very high90.4Very high123 Ų12362.5 Ų62.554%0.53532%0.322SS..Hα-helixtrans-57.9-42.9174.7-172.8-176.5178.1-166.80112Q955 L956 S963 E1016Q955-K959 WeakPolarHBondContact O-CB 3.5Å; Q955-K959 PolarHBondContact O-N 2.9Å; Q955-K959 VanDerWaalsContact O-N 3.09Å; L956-K959 PolarHBondContact O-N 2.88Å; K959-S963 VanDerWaalsContact O-CB 3.29Å; K959-S963 WeakPolarHBondContact O-CB 3.36Å; K959-S963 PolarHBondContact O-N 3.45Å; K959-E1016 WeakPolarHBondContact CD-OE1 3.28Å; K959-E1016 WeakPolarHBondContact CE-OE1 3.34Å; K959-E1016 IonicContact NZ-OE1 2.7Å; K959-E1016 PolarHBondContact NZ-OE1 2.9Å
960I94.3Very high90.3Very high16 Ų1661.7 Ų61.78%0.08232%0.318CS..Hα-helixtrans-64-49.3175.9-72162.3000110.5L956 T958 H962 S963 V964 L1012 V1015 E1016 L1019L956-I960 HydrophobicContact CD1-CD1 3.99Å; L956-I960 HydrophobicContact CD1-CG1 4.23Å; L956-I960 HydrophobicContact CG-CD1 3.81Å; L956-I960 HydrophobicContact CG-CG1 4.5Å; L956-I960 WeakPolarHBondContact O-CB 3.3Å; L956-I960 WeakPolarHBondContact O-CD1 3.05Å; L956-I960 VanDerWaalsContact O-CG1 3.25Å; L956-I960 WeakPolarHBondContact O-CG1 2.88Å; L956-I960 PolarHBondContact O-N 3.37Å; T958-I960 VanDerWaalsContact C-N 3.32Å; T958-I960 PolarHBondContact O-N 2.82Å; I960-H962 PolarHBondContact O-N 3.05Å; I960-S963 CarbonylContact O-C 3.56Å; I960-S963 WeakPolarHBondContact O-CA 3.43Å; I960-S963 WeakPolarHBondContact O-CB 3.1Å; I960-S963 PolarHBondContact O-N 2.91Å; I960-V964 HydrophobicContact CG2-CG2 4.27Å; I960-V964 WeakPolarHBondContact O-CG2 3.31Å; I960-V964 PolarHBondContact O-N 3.19Å; I960-L1012 HydrophobicContact CD1-CB 3.9Å; I960-L1012 HydrophobicContact CD1-CD2 3.84Å; I960-L1012 HydrophobicContact CD1-CG 4.44Å; I960-L1012 WeakPolarHBondContact CD1-O 3.4Å; I960-V1015 HydrophobicContact CD1-CB 4.49Å; I960-V1015 HydrophobicContact CD1-CG1 4.38Å; I960-V1015 HydrophobicContact CG2-CG1 3.87Å; I960-E1016 HydrophobicContact CD1-CB 4.26Å; I960-E1016 HydrophobicContact CG1-CB 4.17Å; I960-L1019 HydrophobicContact CG2-CD2 4.1Å
961R89.9Confident90Very high128 Ų12858.7 Ų58.748%0.48330%0.302SS..Hα-helixtrans-54.5-53.8176.7-74.1-171.1-62-79.79.5111.7S957 T958 S963 V964 D965S957-R961 VanDerWaalsContact C-NH1 3.29Å; S957-R961 VanDerWaalsContact CB-NH1 3.32Å; S957-R961 WeakPolarHBondContact O-CG 3.48Å; S957-R961 PolarHBondContact O-N 3.23Å; S957-R961 PolarHBondContact O-NH1 2.97Å; S957-R961 VanDerWaalsContact O-NH1 3.1Å; S957-R961 PolarHBondContact OG-NH1 3.28Å; T958-R961 VanDerWaalsContact CG2-NH2 3.28Å; T958-R961 PolarHBondContact O-N 2.86Å; R961-S963 PolarHBondContact O-N 3.31Å; R961-S963 VanDerWaalsContact O-N 3.08Å; R961-V964 WeakPolarHBondContact O-CA 3.49Å; R961-V964 WeakPolarHBondContact O-CB 3.47Å; R961-V964 PolarHBondContact O-N 2.74Å; R961-D965 PolarHBondContact O-N 3.49Å; R961-D965 VanDerWaalsContact O-OD2 3.07Å
962H89.4Confident89.5Confident121 Ų12161.2 Ų61.256%0.5631%0.307SS*.Hα-helixtrans-63.2-17.2176.2-62.9-46000114.6T958 I960 D965 R966T958-H962 PolarHBondContact O-CD2 3.35Å; T958-H962 PolarHBondContact O-N 3.04Å; I960-H962 PolarHBondContact O-N 3.05Å; H962-D965 IonicContact ND1-OD2 3.88Å; H962-R966 WeakPolarHBondContact O-CG 3.47Å; H962-R966 PolarHBondContact O-NE 2.71Å
963S90.6Very high89Confident20 Ų2062.3 Ų62.314%0.1431%0.309CS..Hα-helixtrans-87.6-33.2171.8-1610000112.3K959 I960 R961 R966 T967K959-S963 VanDerWaalsContact O-CB 3.29Å; K959-S963 WeakPolarHBondContact O-CB 3.36Å; K959-S963 PolarHBondContact O-N 3.45Å; I960-S963 CarbonylContact O-C 3.56Å; I960-S963 WeakPolarHBondContact O-CA 3.43Å; I960-S963 WeakPolarHBondContact O-CB 3.1Å; I960-S963 PolarHBondContact O-N 2.91Å; R961-S963 PolarHBondContact O-N 3.31Å; R961-S963 VanDerWaalsContact O-N 3.08Å; S963-R966 PolarHBondContact OG-NH2 2.81Å; S963-R966 VanDerWaalsContact OG-NH2 3.1Å; S963-T967 VanDerWaalsContact O-CB 3.32Å; S963-T967 WeakPolarHBondContact O-CB 3.47Å; S963-T967 PolarHBondContact O-N 3.03Å; S963-T967 PolarHBondContact O-OG1 3.16Å
964V92.1Very high88Confident68 Ų6864.7 Ų64.741%0.41232%0.321SS..Hα-helixtrans-65.5-47.5170174.70000109.1I960 R961 R966 T967 A968 L1019I960-V964 HydrophobicContact CG2-CG2 4.27Å; I960-V964 WeakPolarHBondContact O-CG2 3.31Å; I960-V964 PolarHBondContact O-N 3.19Å; R961-V964 WeakPolarHBondContact O-CA 3.49Å; R961-V964 WeakPolarHBondContact O-CB 3.47Å; R961-V964 PolarHBondContact O-N 2.74Å; V964-R966 VanDerWaalsContact C-N 3.34Å; V964-R966 PolarHBondContact O-N 3.05Å; V964-T967 PolarHBondContact O-N 3.24Å; V964-T967 VanDerWaalsContact O-N 3.16Å; V964-A968 WeakPolarHBondContact O-CB 3.49Å; V964-A968 PolarHBondContact O-N 2.84Å; V964-L1019 HydrophobicContact CB-CD2 4.48Å; V964-L1019 HydrophobicContact CG2-CD1 4.1Å; V964-L1019 HydrophobicContact CG2-CD2 3.52Å; V964-L1019 HydrophobicContact CG2-CG 4.48Å
965D86.6Confident86.9Confident94 Ų9465 Ų6550%0.50332%0.315SS..Hα-helixtrans-58.2-43.5-179.6-60.8-36.1000112.2R961 H962 G969R961-D965 PolarHBondContact O-N 3.49Å; R961-D965 VanDerWaalsContact O-OD2 3.07Å; H962-D965 IonicContact ND1-OD2 3.88Å; D965-G969 PolarHBondContact O-N 2.83Å
966R87.7Confident85.4Confident116 Ų11666.4 Ų66.444%0.43832%0.319SS..Hα-helixtrans-65.9-47.8174.2-75.5-178.3-61.4114.61.4112H962 S963 V964 A968 G969 K970H962-R966 WeakPolarHBondContact O-CG 3.47Å; H962-R966 PolarHBondContact O-NE 2.71Å; S963-R966 PolarHBondContact OG-NH2 2.81Å; S963-R966 VanDerWaalsContact OG-NH2 3.1Å; V964-R966 VanDerWaalsContact C-N 3.34Å; V964-R966 PolarHBondContact O-N 3.05Å; R966-A968 VanDerWaalsContact C-N 3.34Å; R966-A968 PolarHBondContact O-N 3.39Å; R966-G969 WeakPolarHBondContact O-CA 3.48Å; R966-G969 PolarHBondContact O-N 3.35Å; R966-K970 WeakPolarHBondContact O-CG 3.3Å; R966-K970 PolarHBondContact O-N 3.42Å
967T89.4Confident83.3Confident4 Ų472.4 Ų72.43%0.02535%0.351CS..Hα-helixtrans-63.1-41.2179.9-51.70000111S963 V964 G969 K970 I971 L1019 I1022 N1023 V1026S963-T967 VanDerWaalsContact O-CB 3.32Å; S963-T967 WeakPolarHBondContact O-CB 3.47Å; S963-T967 PolarHBondContact O-N 3.03Å; S963-T967 PolarHBondContact O-OG1 3.16Å; V964-T967 PolarHBondContact O-N 3.24Å; V964-T967 VanDerWaalsContact O-N 3.16Å; T967-G969 VanDerWaalsContact C-N 3.31Å; T967-G969 PolarHBondContact O-N 3.29Å; T967-K970 PolarHBondContact O-N 2.84Å; T967-I971 HydrophobicContact CG2-CD1 4.02Å; T967-I971 WeakPolarHBondContact O-CB 3.23Å; T967-I971 VanDerWaalsContact O-CG1 3.24Å; T967-I971 WeakPolarHBondContact O-CG1 3.38Å; T967-I971 PolarHBondContact O-N 2.84Å; T967-L1019 HydrophobicContact CG2-CD1 4.35Å; T967-I1022 HydrophobicContact CG2-CG2 3.82Å; T967-N1023 HydrophobicContact CG2-CB 4.49Å; T967-V1026 HydrophobicContact CG2-CG2 4.27Å
968A84.7Confident81.5Confident37 Ų3779.7 Ų79.731%0.30638%0.38SS..Hα-helixtrans-67.3-28.3172.300000112.7V964 R966 R972V964-A968 WeakPolarHBondContact O-CB 3.49Å; V964-A968 PolarHBondContact O-N 2.84Å; R966-A968 VanDerWaalsContact C-N 3.34Å; R966-A968 PolarHBondContact O-N 3.39Å; A968-R972 WeakPolarHBondContact O-CB 3.41Å; A968-R972 VanDerWaalsContact O-CG 3.24Å; A968-R972 WeakPolarHBondContact O-CG 3.43Å; A968-R972 PolarHBondContact O-N 3.27Å; A968-R972 PolarHBondContact O-NE 2.67Å
969G80.9Confident79.7Confident17 Ų1784.9 Ų84.918%0.17541%0.406CS..Hα-helixtrans-60.9-55.6165.800000111.7D965 R966 T967 I971 R972 I973D965-G969 PolarHBondContact O-N 2.83Å; R966-G969 WeakPolarHBondContact O-CA 3.48Å; R966-G969 PolarHBondContact O-N 3.35Å; T967-G969 VanDerWaalsContact C-N 3.31Å; T967-G969 PolarHBondContact O-N 3.29Å; G969-I971 PolarHBondContact O-N 2.8Å; G969-R972 PolarHBondContact O-N 2.87Å; G969-I973 WeakPolarHBondContact O-CG1 3.42Å; G969-I973 PolarHBondContact O-N 3.33Å
970K85.8Confident78Confident4 Ų487.9 Ų87.92%0.01741%0.414CS..Hα-helixtrans-58-46.2177.2-63179.1171.7-163.80112.7R966 T967 R972 I973 L974 N1023 V1026 D1027 L1032 D1033R966-K970 WeakPolarHBondContact O-CG 3.3Å; R966-K970 PolarHBondContact O-N 3.42Å; T967-K970 PolarHBondContact O-N 2.84Å; K970-R972 PolarHBondContact O-N 3.07Å; K970-I973 WeakPolarHBondContact O-CB 3.48Å; K970-I973 PolarHBondContact O-N 2.69Å; K970-L974 PolarHBondContact O-N 2.98Å; K970-N1023 WeakPolarHBondContact CD-OD1 3.26Å; K970-N1023 VanDerWaalsContact CE-OD1 3.29Å; K970-N1023 WeakPolarHBondContact CE-OD1 3.47Å; K970-N1023 PolarHBondContact NZ-OD1 3.34Å; K970-V1026 HydrophobicContact CB-CG1 3.53Å; K970-V1026 HydrophobicContact CD-CG1 4.18Å; K970-D1027 HydrophobicContact CD-CB 3.81Å; K970-D1027 VanDerWaalsContact CE-OD2 3.29Å; K970-D1027 WeakPolarHBondContact CE-OD2 3.32Å; K970-D1027 IonicContact NZ-OD2 2.63Å; K970-D1027 PolarHBondContact NZ-OD2 3.21Å; K970-L1032 HydrophobicContact CB-CB 4.2Å; K970-L1032 HydrophobicContact CB-CD1 3.98Å; K970-L1032 HydrophobicContact CD-CB 4.14Å; K970-L1032 HydrophobicContact CG-CB 3.79Å; K970-L1032 HydrophobicContact CG-CD1 4.46Å; K970-D1033 WeakPolarHBondContact CE-OD1 3.42Å; K970-D1033 WeakPolarHBondContact CE-OD2 3.28Å; K970-D1033 IonicContact NZ-OD1 2.69Å; K970-D1033 PolarHBondContact NZ-OD1 2.94Å; K970-D1033 IonicContact NZ-OD2 3.89Å; K970-D1033 PolarHBondContact NZ-OD2 3.12Å
971I82.4Confident76.4Confident32 Ų3291.8 Ų91.816%0.16444%0.435CS..Hα-helixtrans-56-49.3175-74169.8000110.1T967 G969 I973 L974 F975 W982 V1026T967-I971 HydrophobicContact CG2-CD1 4.02Å; T967-I971 WeakPolarHBondContact O-CB 3.23Å; T967-I971 VanDerWaalsContact O-CG1 3.24Å; T967-I971 WeakPolarHBondContact O-CG1 3.38Å; T967-I971 PolarHBondContact O-N 2.84Å; G969-I971 PolarHBondContact O-N 2.8Å; I971-I973 PolarHBondContact O-N 2.63Å; I971-L974 PolarHBondContact O-N 3.35Å; I971-F975 HydrophobicContact CB-CD2 4.21Å; I971-F975 HydrophobicContact CG1-CD2 4.49Å; I971-F975 HydrophobicContact CG1-CE2 4.49Å; I971-F975 HydrophobicContact CG2-CD2 3.72Å; I971-F975 HydrophobicContact CG2-CE2 4.41Å; I971-F975 WeakPolarHBondContact O-CB 3.4Å; I971-F975 VanDerWaalsContact O-CD2 3.31Å; I971-F975 WeakPolarHBondContact O-CD2 3.32Å; I971-F975 PolarHBondContact O-N 3.13Å; I971-W982 HydrophobicContact CD1-CH2 4.14Å; I971-V1026 HydrophobicContact CD1-CG2 4.03Å; I971-V1026 HydrophobicContact CG1-CG1 3.95Å; I971-V1026 HydrophobicContact CG1-CG2 3.73Å
972R79.8Confident74.8Confident170 Ų17092.9 Ų92.964%0.64244%0.439SS*.Hα-helixtrans-64.8-23.1176.2-73.6176.4-64.5152.7-1.5114.3A968 G969 K970A968-R972 WeakPolarHBondContact O-CB 3.41Å; A968-R972 VanDerWaalsContact O-CG 3.24Å; A968-R972 WeakPolarHBondContact O-CG 3.43Å; A968-R972 PolarHBondContact O-N 3.27Å; A968-R972 PolarHBondContact O-NE 2.67Å; G969-R972 PolarHBondContact O-N 2.87Å; K970-R972 PolarHBondContact O-N 3.07Å
973I81.3Confident73.4Confident61 Ų6192.2 Ų92.231%0.31344%0.44SS..Hα-helixtrans-77.1-41.1175.7-68.5164000111.1G969 K970 I971 K976 L1032G969-I973 WeakPolarHBondContact O-CG1 3.42Å; G969-I973 PolarHBondContact O-N 3.33Å; K970-I973 WeakPolarHBondContact O-CB 3.48Å; K970-I973 PolarHBondContact O-N 2.69Å; I971-I973 PolarHBondContact O-N 2.63Å; I973-K976 PolarHBondContact O-NZ 3.08Å; I973-K976 VanDerWaalsContact O-NZ 3.16Å; I973-L1032 HydrophobicContact CG2-CD2 3.89Å
974L73.9Confident72.4Confident77 Ų7796.7 Ų96.740%0.40346%0.458SS..Hα-helixtrans-72.7-57176.9-73.3161.4000112.8K970 I971 K976 V1026 L1032K970-L974 PolarHBondContact O-N 2.98Å; I971-L974 PolarHBondContact O-N 3.35Å; L974-K976 PolarHBondContact O-N 2.77Å; L974-V1026 HydrophobicContact CD1-CG1 3.7Å; L974-V1026 VanDerWaalsContact CD1-O 3.27Å; L974-V1026 WeakPolarHBondContact CD1-O 3.38Å; L974-L1032 HydrophobicContact CD1-CD1 3.53Å; L974-L1032 HydrophobicContact CD2-CD1 3.87Å; L974-L1032 HydrophobicContact CG-CD1 3.51Å
975F66.6Low71.3Confident68 Ų6895 Ų9530%0.29845%0.447SS..  trans-87.939.9-173.8-59.7-68.6000111.1I971 D977 K978 R980I971-F975 HydrophobicContact CB-CD2 4.21Å; I971-F975 HydrophobicContact CG1-CD2 4.49Å; I971-F975 HydrophobicContact CG1-CE2 4.49Å; I971-F975 HydrophobicContact CG2-CD2 3.72Å; I971-F975 HydrophobicContact CG2-CE2 4.41Å; I971-F975 WeakPolarHBondContact O-CB 3.4Å; I971-F975 VanDerWaalsContact O-CD2 3.31Å; I971-F975 WeakPolarHBondContact O-CD2 3.32Å; I971-F975 PolarHBondContact O-N 3.13Å; F975-D977 PolarHBondContact O-N 3.11Å; F975-K978 WeakPolarHBondContact CD1-O 3.44Å; F975-R980 HydrophobicContact CE1-CB 3.62Å; F975-R980 HydrophobicContact CE1-CG 3.68Å; F975-R980 HydrophobicContact CZ-CB 3.95Å; F975-R980 HydrophobicContact CZ-CG 4.25Å
976K63.5Low70.1Confident149 Ų14995.3 Ų95.365%0.64845%0.445SS*.SBendtrans-72.4-13.4177.5-145.5151.559.2-131.40112I973 L974I973-K976 PolarHBondContact O-NZ 3.08Å; I973-K976 VanDerWaalsContact O-NZ 3.16Å; L974-K976 PolarHBondContact O-N 2.77Å
977D51.4Low68.8Low142 Ų14293.6 Ų93.676%0.75945%0.451SS*.SBendtrans-148.1143.3152.6-84.3-56.7000109.3F975F975-D977 PolarHBondContact O-N 3.11Å
978K55.3Low67.5Low177 Ų17798.3 Ų98.377%0.7747%0.471SS*.  trans75.7130170.5-56.1171.2-175.9177.40118.4F975F975-K978 WeakPolarHBondContact CD1-O 3.44Å
979D54.1Low66.5Low159 Ų15998.3 Ų98.385%0.8547%0.466SS*.  trans-68.3148179.2-46.3-91.9000113.4
980R59Low64.7Low185 Ų185103.4 Ų103.470%0.69848%0.483SS*.  trans-118.6152.6160.2-90.4-174.9170.4118.5-10.5110F975F975-R980 HydrophobicContact CE1-CB 3.62Å; F975-R980 HydrophobicContact CE1-CG 3.68Å; F975-R980 HydrophobicContact CZ-CB 3.95Å; F975-R980 HydrophobicContact CZ-CG 4.25Å
981N59.4Low63.1Low99 Ų99107.8 Ų107.853%0.52951%0.514SS..  trans-60.8133.4-177.3-177.5-88.6000112.3D983 E984N981-D983 PolarHBondContact ND2-OD2 2.73Å; N981-D983 WeakPolarHBondContact OD1-CB 3.27Å; N981-D983 PolarHBondContact OD1-N 3.12Å; N981-D983 PolarHBondContact OD1-OD2 3.41Å; N981-E984 PolarHBondContact OD1-N 2.82Å
982W56.8Low61.3Low150 Ų150111 Ų11157%0.56853%0.528SS*.SBendtrans-94.6-20.3179.5-7594.2000113.5I971 E984 I985 E986I971-W982 HydrophobicContact CD1-CH2 4.14Å; W982-E984 PolarHBondContact O-N 3.5Å; W982-I985 HydrophobicContact CE3-CD1 4.22Å; W982-I985 WeakPolarHBondContact O-CB 3.44Å; W982-I985 PolarHBondContact O-N 3.37Å; W982-I985 VanDerWaalsContact O-N 3.12Å; W982-E986 PolarHBondContact O-N 3.43Å; W982-E986 VanDerWaalsContact O-N 3.13Å
983D60.5Low59.5Low108 Ų108105 Ų10558%0.57851%0.513SS*.Hα-helixtrans-66.7-36.7-170.6-49.4-60.6000112.4N981 I985 E986 S987N981-D983 PolarHBondContact ND2-OD2 2.73Å; N981-D983 WeakPolarHBondContact OD1-CB 3.27Å; N981-D983 PolarHBondContact OD1-N 3.12Å; N981-D983 PolarHBondContact OD1-OD2 3.41Å; D983-I985 VanDerWaalsContact C-N 3.27Å; D983-I985 PolarHBondContact O-N 2.87Å; D983-E986 PolarHBondContact O-N 2.85Å; D983-S987 PolarHBondContact O-N 3.39Å
984E68.8Low57.6Low114 Ų114111.6 Ų111.653%0.53354%0.542SS..Hα-helixtrans-64.5-33.3175.9-154.7-156.613900112.1N981 W982 K988N981-E984 PolarHBondContact OD1-N 2.82Å; W982-E984 PolarHBondContact O-N 3.5Å; E984-K988 PolarHBondContact O-N 3.01Å; E984-K988 IonicContact OE1-NZ 3.76Å; E984-K988 PolarHBondContact OE1-NZ 3.08Å
985I68.6Low56.1Low32 Ų32112 Ų11216%0.16456%0.556CS.*Hα-helixtrans-70.5-45.7177.7-56.6178.3000109.5W982 D983 S987 K988 L989 I1022 M1025W982-I985 HydrophobicContact CE3-CD1 4.22Å; W982-I985 WeakPolarHBondContact O-CB 3.44Å; W982-I985 PolarHBondContact O-N 3.37Å; W982-I985 VanDerWaalsContact O-N 3.12Å; D983-I985 VanDerWaalsContact C-N 3.27Å; D983-I985 PolarHBondContact O-N 2.87Å; I985-S987 VanDerWaalsContact C-N 3.3Å; I985-S987 PolarHBondContact O-N 2.9Å; I985-K988 PolarHBondContact O-N 3.34Å; I985-L989 HydrophobicContact CG2-CD1 4.26Å; I985-L989 WeakPolarHBondContact O-CB 3.33Å; I985-L989 PolarHBondContact O-N 3.35Å; I985-I1022 HydrophobicContact CG2-CD1 4.23Å; I985-I1022 HydrophobicContact CG2-CG1 3.8Å; I985-M1025 HydrophobicContact CG1-CE 3.97Å
986E62.4Low55.2Low100 Ų100114.2 Ų114.247%0.46758%0.578SS.*Hα-helixtrans-59.3-38.3175.4-79.4-151.7-172.600113.2W982 D983 L989 K990W982-E986 PolarHBondContact O-N 3.43Å; W982-E986 VanDerWaalsContact O-N 3.13Å; D983-E986 PolarHBondContact O-N 2.85Å; E986-L989 WeakPolarHBondContact O-CB 3.31Å; E986-L989 PolarHBondContact O-N 2.87Å; E986-K990 WeakPolarHBondContact O-CD 3.28Å; E986-K990 VanDerWaalsContact O-CG 3.26Å; E986-K990 WeakPolarHBondContact O-CG 3.1Å; E986-K990 PolarHBondContact O-N 3.35Å; E986-K990 VanDerWaalsContact O-N 3.13Å; E986-K990 WeakPolarHBondContact OE2-CE 3.44Å; E986-K990 IonicContact OE2-NZ 2.64Å; E986-K990 PolarHBondContact OE2-NZ 2.87Å
987S59.7Low54.2Low80 Ų80114.4 Ų114.456%0.55959%0.585SS**Hα-helixtrans-62.1-44.9179.2-172.40000112.2D983 I985 K990 S991D983-S987 PolarHBondContact O-N 3.39Å; I985-S987 VanDerWaalsContact C-N 3.3Å; I985-S987 PolarHBondContact O-N 2.9Å; S987-K990 PolarHBondContact O-N 3.2Å; S987-S991 PolarHBondContact O-OG 3.27Å
988K61.9Low54.1Low103 Ų103113.5 Ų113.545%0.44858%0.58SS.*Hα-helixtrans-69-35.1174.8-72.8167.7176.1166.50112.1E984 I985 K990 S991E984-K988 PolarHBondContact O-N 3.01Å; E984-K988 IonicContact OE1-NZ 3.76Å; E984-K988 PolarHBondContact OE1-NZ 3.08Å; I985-K988 PolarHBondContact O-N 3.34Å; K988-K990 VanDerWaalsContact C-N 3.29Å; K988-K990 PolarHBondContact O-N 2.87Å; K988-S991 PolarHBondContact O-N 3.02Å; K988-S991 PolarHBondContact O-OG 2.85Å
989L64.9Low53.7Low37 Ų37115.1 Ų115.119%0.19459%0.586CS.*Hα-helixtrans-59.8-36.2175-119.468.3000113.8I985 E986 Q1018 I1022I985-L989 HydrophobicContact CG2-CD1 4.26Å; I985-L989 WeakPolarHBondContact O-CB 3.33Å; I985-L989 PolarHBondContact O-N 3.35Å; E986-L989 WeakPolarHBondContact O-CB 3.31Å; E986-L989 PolarHBondContact O-N 2.87Å; L989-Q1018 HydrophobicContact CD1-CB 3.86Å; L989-Q1018 HydrophobicContact CD1-CG 4.21Å; L989-Q1018 HydrophobicContact CD2-CB 4.15Å; L989-Q1018 HydrophobicContact CD2-CG 4.36Å; L989-Q1018 HydrophobicContact CG-CB 3.72Å; L989-Q1018 HydrophobicContact CG-CG 3.68Å; L989-Q1018 PolarHBondContact O-NE2 3.26Å; L989-I1022 HydrophobicContact CD1-CD1 3.92Å; L989-I1022 HydrophobicContact CD1-CG1 4Å; L989-I1022 HydrophobicContact CD2-CD1 4.43Å
990K42.7Very low53.9Low125 Ų125109.1 Ų109.154%0.54356%0.556SS.*Hα-helixtrans-83.1-16.7-174.1-70162.3-169.1170.80113.6E986 S987 K988 S993E986-K990 WeakPolarHBondContact O-CD 3.28Å; E986-K990 VanDerWaalsContact O-CG 3.26Å; E986-K990 WeakPolarHBondContact O-CG 3.1Å; E986-K990 PolarHBondContact O-N 3.35Å; E986-K990 VanDerWaalsContact O-N 3.13Å; E986-K990 WeakPolarHBondContact OE2-CE 3.44Å; E986-K990 IonicContact OE2-NZ 2.64Å; E986-K990 PolarHBondContact OE2-NZ 2.87Å; S987-K990 PolarHBondContact O-N 3.2Å; K988-K990 VanDerWaalsContact C-N 3.29Å; K988-K990 PolarHBondContact O-N 2.87Å; K990-S993 PolarHBondContact O-OG 2.84Å
991S51.8Low53.8Low95 Ų95103.6 Ų103.666%0.66455%0.546SS*.Hα-helixtrans-96.8-14.3-173.135.80000115.1S987 K988S987-S991 PolarHBondContact O-OG 3.27Å; K988-S991 PolarHBondContact O-N 3.02Å; K988-S991 PolarHBondContact O-OG 2.85Å
992E44.3Very low54.5Low99 Ų99101.4 Ų101.446%0.46353%0.534SS..SBendtrans-974.4-177-149.7-147.613300114.9K1017E992-K1017 IonicContact OE1-NZ 2.63Å; E992-K1017 PolarHBondContact OE1-NZ 2.82Å
993S43Very low55.7Low45 Ų45102.3 Ų102.332%0.31554%0.542SS..  trans-99.710.1-156.355.70000118.6K990 R1014K990-S993 PolarHBondContact O-OG 2.84Å; S993-R1014 PolarHBondContact OG-NE 3.06Å; S993-R1014 PolarHBondContact OG-NH2 2.89Å
994E41.9Very low56.9Low200 Ų200104.5 Ų104.594%0.93555%0.548SS*.  trans-98.8102.4-177.8-167165.5-169.700112.7
995A41.2Very low57.7Low84 Ų84100.3 Ų100.369%0.69453%0.53SS*.  trans-148.2154.8178.500000111.7
996P48.2Very low58.4Low116 Ų11699.2 Ų99.275%0.75353%0.525SS*.PPolyproline II helixtrans-84.7157.6-150.231.3-37.1000117L998P996-L998 PolarHBondContact O-N 3.48Å
997L43Very low59.6Low153 Ų15398.1 Ų98.180%0.80153%0.528SS*.PPolyproline II helixtrans-71.9122.4-174.3-63.683.2000113.5
998L48.2Very low61.2Low123 Ų12398.6 Ų98.664%0.64452%0.523SS*.PPolyproline II helixtrans-74.7137.7158.5-69.5172.8000110.2P996P996-L998 PolarHBondContact O-N 3.48Å
999K46.9Very low62.6Low210 Ų21094.6 Ų94.691%0.91351%0.507SS*.  trans-111.272-159.6-153.9163.1-169.3165.70112.8
1000T59.3Low63.8Low33 Ų3395.9 Ų95.920%0.20251%0.513CS..  trans-89.3165.6174.670.10000110.8L949 N1002 S1006L949-T1000 HydrophobicContact CD1-CG2 3.81Å; L949-T1000 HydrophobicContact CD2-CG2 4.44Å; T1000-N1002 PolarHBondContact OG1-O 2.81Å; T1000-S1006 WeakPolarHBondContact CG2-OG 3.48Å; T1000-S1006 PolarHBondContact OG1-OG 3.02Å
1001S57.3Low66.2Low70 Ų7094.2 Ų94.249%0.4951%0.508SS..SBendtrans-71.7-36.2169.842.10000111.7E942 K1003E942-S1001 VanDerWaalsContact OE1-CB 3.23Å; E942-S1001 WeakPolarHBondContact OE1-CB 3.42Å; E942-S1001 PolarHBondContact OE1-OG 3.39Å; S1001-K1003 PolarHBondContact O-N 3.03Å; S1001-K1003 VanDerWaalsContact O-N 3.09Å
1002N73.9Confident68.3Low52 Ų5291.5 Ų91.528%0.27849%0.485SS..  trans-87.675.6-177.9-139.7-34.9000112.6D946 T1000 E1004 I1005 S1006D946-N1002 WeakPolarHBondContact OD1-CB 3.26Å; D946-N1002 PolarHBondContact OD2-ND2 3.41Å; T1000-N1002 PolarHBondContact OG1-O 2.81Å; N1002-E1004 VanDerWaalsContact C-N 3.27Å; N1002-E1004 PolarHBondContact O-N 3.37Å; N1002-I1005 HydrophobicContact CB-CD1 4.1Å; N1002-I1005 HydrophobicContact CB-CG1 4.4Å; N1002-I1005 PolarHBondContact O-N 3.21Å; N1002-S1006 PolarHBondContact O-N 3.36Å
1003K81.6Confident70.5Confident169 Ų16991.6 Ų91.674%0.73548%0.484SS*.Hα-helixtrans-55.9-35.8-174.2-64.7-178.9-177.8177.90114.1S1001 S1006 S1007S1001-K1003 PolarHBondContact O-N 3.03Å; S1001-K1003 VanDerWaalsContact O-N 3.09Å; K1003-S1006 PolarHBondContact O-N 3Å; K1003-S1007 WeakPolarHBondContact O-CB 3.25Å; K1003-S1007 PolarHBondContact O-N 3.24Å
1004E86.1Confident73Confident154 Ų15493 Ų9372%0.7248%0.483SS*.Hα-helixtrans-66.8-49.8-177.1-67.8170.1-163.900110.7N1002 S1006 S1007 I1008N1002-E1004 VanDerWaalsContact C-N 3.27Å; N1002-E1004 PolarHBondContact O-N 3.37Å; E1004-S1006 VanDerWaalsContact C-N 3.29Å; E1004-S1006 PolarHBondContact O-N 3.4Å; E1004-S1007 WeakPolarHBondContact O-CB 3.4Å; E1004-S1007 PolarHBondContact O-N 3.37Å; E1004-S1007 VanDerWaalsContact O-N 3.14Å; E1004-I1008 WeakPolarHBondContact O-CG1 3.29Å; E1004-I1008 PolarHBondContact O-N 3.02Å
1005I84.8Confident75.5Confident27 Ų2785.9 Ų85.914%0.13845%0.453CS..Hα-helixtrans-61.5-39.1177-50.7177.1000110.7D946 L949 I950 V953 N1002 I1008 L1009D946-I1005 HydrophobicContact CB-CD1 4.42Å; L949-I1005 HydrophobicContact CB-CG2 3.79Å; I950-I1005 HydrophobicContact CD1-CD1 4.11Å; I950-I1005 HydrophobicContact CG1-CD1 4.01Å; I950-I1005 HydrophobicContact CG1-CG2 4.17Å; V953-I1005 HydrophobicContact CG2-CG2 4.18Å; N1002-I1005 HydrophobicContact CB-CD1 4.1Å; N1002-I1005 HydrophobicContact CB-CG1 4.4Å; N1002-I1005 PolarHBondContact O-N 3.21Å; I1005-I1008 PolarHBondContact O-N 2.87Å; I1005-L1009 WeakPolarHBondContact O-CB 3.48Å; I1005-L1009 PolarHBondContact O-N 3.41Å
1006S83.4Confident78Confident9 Ų984 Ų846%0.06343%0.43CS..Hα-helixtrans-72.1-32.1176.2-64.30000113.5T1000 N1002 K1003 E1004 L1009 L1010T1000-S1006 WeakPolarHBondContact CG2-OG 3.48Å; T1000-S1006 PolarHBondContact OG1-OG 3.02Å; N1002-S1006 PolarHBondContact O-N 3.36Å; K1003-S1006 PolarHBondContact O-N 3Å; E1004-S1006 VanDerWaalsContact C-N 3.29Å; E1004-S1006 PolarHBondContact O-N 3.4Å; S1006-L1009 PolarHBondContact O-N 3.41Å; S1006-L1010 WeakPolarHBondContact O-CB 3.37Å; S1006-L1010 VanDerWaalsContact O-CG 3.27Å; S1006-L1010 WeakPolarHBondContact O-CG 3.29Å; S1006-L1010 PolarHBondContact O-N 3.34Å
1007S87.6Confident80.1Confident77 Ų7783.1 Ų83.154%0.53841%0.414SS..Hα-helixtrans-66.4-40.7172-163.40000111.2K1003 E1004 L1010 E1011K1003-S1007 WeakPolarHBondContact O-CB 3.25Å; K1003-S1007 PolarHBondContact O-N 3.24Å; E1004-S1007 WeakPolarHBondContact O-CB 3.4Å; E1004-S1007 PolarHBondContact O-N 3.37Å; E1004-S1007 VanDerWaalsContact O-N 3.14Å; S1007-L1010 PolarHBondContact O-N 3.46Å; S1007-E1011 PolarHBondContact O-N 2.79Å
1008I92.4Very high82.5Confident90 Ų9076.9 Ų76.946%0.46238%0.381SS..Hα-helixtrans-62.8-44.9173.6-66163.1000110.2V953 E1004 I1005 L1010 E1011 L1012V953-I1008 HydrophobicContact CG1-CG2 3.76Å; V953-I1008 HydrophobicContact CG2-CG2 4.15Å; E1004-I1008 WeakPolarHBondContact O-CG1 3.29Å; E1004-I1008 PolarHBondContact O-N 3.02Å; I1005-I1008 PolarHBondContact O-N 2.87Å; I1008-L1010 VanDerWaalsContact C-N 3.34Å; I1008-L1010 PolarHBondContact O-N 2.98Å; I1008-E1011 PolarHBondContact O-N 3.4Å; I1008-L1012 HydrophobicContact CG2-CD1 3.91Å; I1008-L1012 HydrophobicContact CG2-CG 4.35Å; I1008-L1012 WeakPolarHBondContact O-CB 3.22Å; I1008-L1012 VanDerWaalsContact O-CG 3.25Å; I1008-L1012 WeakPolarHBondContact O-CG 3.31Å; I1008-L1012 PolarHBondContact O-N 3.04Å
1009L91.8Very high84.6Confident18 Ų1871.7 Ų71.79%0.09435%0.354CS..Hα-helixtrans-64.5-36177.9-172.162.2000112.8L949 V953 L956 I1005 S1006 K1013L949-L1009 HydrophobicContact CD2-CD2 3.92Å; V953-L1009 HydrophobicContact CG2-CB 3.75Å; V953-L1009 HydrophobicContact CG2-CD1 3.91Å; V953-L1009 HydrophobicContact CG2-CG 4.36Å; L956-L1009 HydrophobicContact CD2-CD1 4.02Å; I1005-L1009 WeakPolarHBondContact O-CB 3.48Å; I1005-L1009 PolarHBondContact O-N 3.41Å; S1006-L1009 PolarHBondContact O-N 3.41Å; L1009-K1013 WeakPolarHBondContact O-CG 3.23Å; L1009-K1013 PolarHBondContact O-N 2.87Å
1010L90.1Very high86.8Confident64 Ų6467.8 Ų67.834%0.33534%0.339SS..Hα-helixtrans-69-47.1175.4-75.3168.2000111.7S1006 S1007 I1008 L1012 K1013 R1014S1006-L1010 WeakPolarHBondContact O-CB 3.37Å; S1006-L1010 VanDerWaalsContact O-CG 3.27Å; S1006-L1010 WeakPolarHBondContact O-CG 3.29Å; S1006-L1010 PolarHBondContact O-N 3.34Å; S1007-L1010 PolarHBondContact O-N 3.46Å; I1008-L1010 VanDerWaalsContact C-N 3.34Å; I1008-L1010 PolarHBondContact O-N 2.98Å; L1010-L1012 VanDerWaalsContact C-N 3.35Å; L1010-L1012 PolarHBondContact O-N 3.21Å; L1010-K1013 PolarHBondContact O-N 2.88Å; L1010-K1013 VanDerWaalsContact O-N 3.13Å; L1010-R1014 PolarHBondContact O-N 3.05Å
1011E93.4Very high88.4Confident91 Ų9168.6 Ų68.643%0.42534%0.344SS..Hα-helixtrans-67.6-35.9178.9-164.262.7-161.600111.6S1007 I1008 K1013 R1014 V1015S1007-E1011 PolarHBondContact O-N 2.79Å; I1008-E1011 PolarHBondContact O-N 3.4Å; E1011-K1013 PolarHBondContact O-N 3.12Å; E1011-R1014 VanDerWaalsContact O-CB 3.32Å; E1011-R1014 WeakPolarHBondContact O-CB 3.49Å; E1011-R1014 PolarHBondContact O-N 3.04Å; E1011-R1014 WeakPolarHBondContact OE1-CD 3.26Å; E1011-R1014 IonicContact OE1-CZ 3.66Å; E1011-R1014 IonicContact OE1-NE 3.65Å; E1011-R1014 IonicContact OE1-NH1 3.33Å; E1011-R1014 PolarHBondContact OE1-NH1 3.21Å; E1011-R1014 WeakPolarHBondContact OE2-CD 3.14Å; E1011-R1014 IonicContact OE2-NH1 3.44Å; E1011-V1015 WeakPolarHBondContact O-CG2 3.45Å; E1011-V1015 PolarHBondContact O-N 3.31Å
1012L95.1Very high89.9Confident37 Ų3766.5 Ų66.519%0.19433%0.327CS..Hα-helixtrans-63.3-39.7170.4-71.1174.7000111.7V953 L956 I960 I1008 L1010 R1014 V1015 E1016V953-L1012 HydrophobicContact CB-CD1 4.46Å; V953-L1012 HydrophobicContact CG1-CD1 3.87Å; L956-L1012 HydrophobicContact CD2-CB 3.62Å; L956-L1012 HydrophobicContact CG-CB 3.97Å; I960-L1012 HydrophobicContact CD1-CB 3.9Å; I960-L1012 HydrophobicContact CD1-CD2 3.84Å; I960-L1012 HydrophobicContact CD1-CG 4.44Å; I960-L1012 WeakPolarHBondContact CD1-O 3.4Å; I1008-L1012 HydrophobicContact CG2-CD1 3.91Å; I1008-L1012 HydrophobicContact CG2-CG 4.35Å; I1008-L1012 WeakPolarHBondContact O-CB 3.22Å; I1008-L1012 VanDerWaalsContact O-CG 3.25Å; I1008-L1012 WeakPolarHBondContact O-CG 3.31Å; I1008-L1012 PolarHBondContact O-N 3.04Å; L1010-L1012 VanDerWaalsContact C-N 3.35Å; L1010-L1012 PolarHBondContact O-N 3.21Å; L1012-R1014 VanDerWaalsContact C-N 3.31Å; L1012-R1014 PolarHBondContact O-N 2.95Å; L1012-V1015 PolarHBondContact O-N 2.66Å; L1012-E1016 WeakPolarHBondContact O-CB 3.34Å; L1012-E1016 PolarHBondContact O-N 3.19Å
1013K91.9Very high90.5Very high102 Ų10265.1 Ų65.144%0.44332%0.319SS..Hα-helixtrans-67.1-31.1174-78.9-171.8175.8-173.60113L956 L1009 L1010 E1011 K1017L956-K1013 HydrophobicContact CD2-CB 4.33Å; L956-K1013 HydrophobicContact CD2-CG 3.46Å; L956-K1013 VanDerWaalsContact CD2-CG 3.46Å; L1009-K1013 WeakPolarHBondContact O-CG 3.23Å; L1009-K1013 PolarHBondContact O-N 2.87Å; L1010-K1013 PolarHBondContact O-N 2.88Å; L1010-K1013 VanDerWaalsContact O-N 3.13Å; E1011-K1013 PolarHBondContact O-N 3.12Å; K1013-K1017 WeakPolarHBondContact O-CG 3.4Å; K1013-K1017 PolarHBondContact O-N 3.04Å
1014R95.3Very high90.8Very high74 Ų7461.1 Ų61.128%0.27931%0.309SS..Hα-helixtrans-63.2-54.1170-170.2-155-171.8-179.79.7110S993 L1010 E1011 L1012 E1016 K1017 Q1018S993-R1014 PolarHBondContact OG-NE 3.06Å; S993-R1014 PolarHBondContact OG-NH2 2.89Å; L1010-R1014 PolarHBondContact O-N 3.05Å; E1011-R1014 VanDerWaalsContact O-CB 3.32Å; E1011-R1014 WeakPolarHBondContact O-CB 3.49Å; E1011-R1014 PolarHBondContact O-N 3.04Å; E1011-R1014 WeakPolarHBondContact OE1-CD 3.26Å; E1011-R1014 IonicContact OE1-CZ 3.66Å; E1011-R1014 IonicContact OE1-NE 3.65Å; E1011-R1014 IonicContact OE1-NH1 3.33Å; E1011-R1014 PolarHBondContact OE1-NH1 3.21Å; E1011-R1014 WeakPolarHBondContact OE2-CD 3.14Å; E1011-R1014 IonicContact OE2-NH1 3.44Å; L1012-R1014 VanDerWaalsContact C-N 3.31Å; L1012-R1014 PolarHBondContact O-N 2.95Å; R1014-E1016 VanDerWaalsContact C-N 3.27Å; R1014-E1016 PolarHBondContact O-N 3.49Å; R1014-K1017 PolarHBondContact O-N 3.27Å; R1014-K1017 VanDerWaalsContact O-N 3.12Å; R1014-Q1018 HydrophobicContact CG-CG 4.37Å; R1014-Q1018 WeakPolarHBondContact O-CB 3.35Å; R1014-Q1018 VanDerWaalsContact O-CG 3.23Å; R1014-Q1018 WeakPolarHBondContact O-CG 3.48Å; R1014-Q1018 PolarHBondContact O-N 2.67Å
1015V94.2Very high90.8Very high51 Ų5157.8 Ų57.831%0.30929%0.294SS..Hα-helixtrans-58.4-37178.1171.60000111.8I960 E1011 L1012 L1019I960-V1015 HydrophobicContact CD1-CB 4.49Å; I960-V1015 HydrophobicContact CD1-CG1 4.38Å; I960-V1015 HydrophobicContact CG2-CG1 3.87Å; E1011-V1015 WeakPolarHBondContact O-CG2 3.45Å; E1011-V1015 PolarHBondContact O-N 3.31Å; L1012-V1015 PolarHBondContact O-N 2.66Å; V1015-L1019 WeakPolarHBondContact O-CB 3.45Å; V1015-L1019 PolarHBondContact O-N 2.91Å
1016E93.1Very high90.7Very high45 Ų4557.5 Ų57.521%0.2129%0.293CS..Hα-helixtrans-59.6-49.6173.5-179.6178.8-14200112.4L956 K959 I960 L1012 R1014 L1019 Q1020L956-E1016 HydrophobicContact CD1-CB 4.11Å; L956-E1016 VanDerWaalsContact CD1-CD 3.45Å; L956-E1016 HydrophobicContact CD1-CG 4.21Å; L956-E1016 WeakPolarHBondContact CD1-OE2 3.34Å; K959-E1016 WeakPolarHBondContact CD-OE1 3.28Å; K959-E1016 WeakPolarHBondContact CE-OE1 3.34Å; K959-E1016 IonicContact NZ-OE1 2.7Å; K959-E1016 PolarHBondContact NZ-OE1 2.9Å; I960-E1016 HydrophobicContact CD1-CB 4.26Å; I960-E1016 HydrophobicContact CG1-CB 4.17Å; L1012-E1016 WeakPolarHBondContact O-CB 3.34Å; L1012-E1016 PolarHBondContact O-N 3.19Å; R1014-E1016 VanDerWaalsContact C-N 3.27Å; R1014-E1016 PolarHBondContact O-N 3.49Å; E1016-L1019 PolarHBondContact O-N 3.37Å; E1016-Q1020 WeakPolarHBondContact O-CB 3.35Å; E1016-Q1020 PolarHBondContact O-N 3.36Å
1017K92.8Very high90.8Very high96 Ų9657.7 Ų57.742%0.41729%0.294SS..Hα-helixtrans-64-46.7177.7-67.5170.893.6-102.20111.1E992 K1013 R1014 L1019 Q1020 V1021E992-K1017 IonicContact OE1-NZ 2.63Å; E992-K1017 PolarHBondContact OE1-NZ 2.82Å; K1013-K1017 WeakPolarHBondContact O-CG 3.4Å; K1013-K1017 PolarHBondContact O-N 3.04Å; R1014-K1017 PolarHBondContact O-N 3.27Å; R1014-K1017 VanDerWaalsContact O-N 3.12Å; K1017-L1019 VanDerWaalsContact C-N 3.32Å; K1017-L1019 PolarHBondContact O-N 2.89Å; K1017-Q1020 WeakPolarHBondContact O-CB 3.38Å; K1017-Q1020 PolarHBondContact O-N 2.94Å; K1017-Q1020 VanDerWaalsContact O-N 3.1Å; K1017-V1021 PolarHBondContact O-N 3.05Å
1018Q93.9Very high90.5Very high22 Ų2258.4 Ų58.410%0.10330%0.296CS..Hα-helixtrans-58.2-44.1178.1-70.7176.2-37.300111.7L989 R1014 V1021 I1022L989-Q1018 HydrophobicContact CD1-CB 3.86Å; L989-Q1018 HydrophobicContact CD1-CG 4.21Å; L989-Q1018 HydrophobicContact CD2-CB 4.15Å; L989-Q1018 HydrophobicContact CD2-CG 4.36Å; L989-Q1018 HydrophobicContact CG-CB 3.72Å; L989-Q1018 HydrophobicContact CG-CG 3.68Å; L989-Q1018 PolarHBondContact O-NE2 3.26Å; R1014-Q1018 HydrophobicContact CG-CG 4.37Å; R1014-Q1018 WeakPolarHBondContact O-CB 3.35Å; R1014-Q1018 VanDerWaalsContact O-CG 3.23Å; R1014-Q1018 WeakPolarHBondContact O-CG 3.48Å; R1014-Q1018 PolarHBondContact O-N 2.67Å; Q1018-V1021 PolarHBondContact O-N 3.18Å; Q1018-I1022 WeakPolarHBondContact O-CG1 3.24Å; Q1018-I1022 PolarHBondContact O-N 2.97Å
1019L92.9Very high89.8Confident15 Ų1560.6 Ų60.68%0.07931%0.309CS..Hα-helixtrans-69.5-31.2176-178.658.6000112.9I960 V964 T967 V1015 E1016 K1017 I1022 N1023I960-L1019 HydrophobicContact CG2-CD2 4.1Å; V964-L1019 HydrophobicContact CB-CD2 4.48Å; V964-L1019 HydrophobicContact CG2-CD1 4.1Å; V964-L1019 HydrophobicContact CG2-CD2 3.52Å; V964-L1019 HydrophobicContact CG2-CG 4.48Å; T967-L1019 HydrophobicContact CG2-CD1 4.35Å; V1015-L1019 WeakPolarHBondContact O-CB 3.45Å; V1015-L1019 PolarHBondContact O-N 2.91Å; E1016-L1019 PolarHBondContact O-N 3.37Å; K1017-L1019 VanDerWaalsContact C-N 3.32Å; K1017-L1019 PolarHBondContact O-N 2.89Å; L1019-I1022 PolarHBondContact O-N 3.18Å; L1019-N1023 WeakPolarHBondContact O-CB 3.42Å; L1019-N1023 PolarHBondContact O-N 3.03Å
1020Q91.6Very high89.1Confident128 Ų12861.4 Ų61.460%0.59832%0.322SS*.Hα-helixtrans-65.8-42.6171-173.8175.71.900111.3E1016 K1017 N1023 V1024E1016-Q1020 WeakPolarHBondContact O-CB 3.35Å; E1016-Q1020 PolarHBondContact O-N 3.36Å; K1017-Q1020 WeakPolarHBondContact O-CB 3.38Å; K1017-Q1020 PolarHBondContact O-N 2.94Å; K1017-Q1020 VanDerWaalsContact O-N 3.1Å; Q1020-N1023 PolarHBondContact O-N 3.29Å; Q1020-V1024 WeakPolarHBondContact O-CG2 3.27Å; Q1020-V1024 PolarHBondContact O-N 3.5Å; Q1020-V1024 VanDerWaalsContact O-N 3.09Å
1021V93.5Very high88.6Confident50 Ų5062.1 Ų62.130%0.30333%0.329SS..Hα-helixtrans-61.1-46.3173.1173.80000110.7K1017 Q1018 N1023 V1024 M1025K1017-V1021 PolarHBondContact O-N 3.05Å; Q1018-V1021 PolarHBondContact O-N 3.18Å; V1021-N1023 PolarHBondContact O-N 2.88Å; V1021-V1024 PolarHBondContact O-N 3.4Å; V1021-M1025 HydrophobicContact CG1-CG 4.42Å; V1021-M1025 HydrophobicContact CG1-SD 4.09Å; V1021-M1025 WeakPolarHBondContact O-CG 3.48Å; V1021-M1025 PolarHBondContact O-N 3.25Å
1022I88.3Confident87.7Confident26 Ų2658.6 Ų58.613%0.13331%0.313CS..Hα-helixtrans-59.6-45.2175.6-64.5165.6000110.8T967 I985 L989 Q1018 L1019 V1024 M1025 V1026T967-I1022 HydrophobicContact CG2-CG2 3.82Å; I985-I1022 HydrophobicContact CG2-CD1 4.23Å; I985-I1022 HydrophobicContact CG2-CG1 3.8Å; L989-I1022 HydrophobicContact CD1-CD1 3.92Å; L989-I1022 HydrophobicContact CD1-CG1 4Å; L989-I1022 HydrophobicContact CD2-CD1 4.43Å; Q1018-I1022 WeakPolarHBondContact O-CG1 3.24Å; Q1018-I1022 PolarHBondContact O-N 2.97Å; L1019-I1022 PolarHBondContact O-N 3.18Å; I1022-V1024 VanDerWaalsContact C-N 3.26Å; I1022-V1024 PolarHBondContact O-N 2.89Å; I1022-M1025 PolarHBondContact O-N 2.85Å; I1022-M1025 VanDerWaalsContact O-N 3.14Å; I1022-V1026 HydrophobicContact CG2-CG2 3.96Å; I1022-V1026 VanDerWaalsContact O-CB 3.29Å; I1022-V1026 WeakPolarHBondContact O-CB 3.23Å; I1022-V1026 WeakPolarHBondContact O-CG2 3.27Å; I1022-V1026 PolarHBondContact O-N 2.94Å
1023N87.6Confident86.8Confident23 Ų2359.6 Ų59.612%0.12332%0.319CS..Hα-helixtrans-61.6-32.2178.9-175.757.4000113T967 K970 L1019 Q1020 V1021 D1027T967-N1023 HydrophobicContact CG2-CB 4.49Å; K970-N1023 WeakPolarHBondContact CD-OD1 3.26Å; K970-N1023 VanDerWaalsContact CE-OD1 3.29Å; K970-N1023 WeakPolarHBondContact CE-OD1 3.47Å; K970-N1023 PolarHBondContact NZ-OD1 3.34Å; L1019-N1023 WeakPolarHBondContact O-CB 3.42Å; L1019-N1023 PolarHBondContact O-N 3.03Å; Q1020-N1023 PolarHBondContact O-N 3.29Å; V1021-N1023 PolarHBondContact O-N 2.88Å; N1023-D1027 PolarHBondContact O-N 3.03Å; N1023-D1027 VanDerWaalsContact O-N 3.09Å
1024V87.8Confident85.9Confident85 Ų8556.9 Ų56.952%0.51532%0.315SS..Hα-helixtrans-77.3-36.1173.4173.90000112.1Q1020 V1021 I1022 V1026 D1027 P1028Q1020-V1024 WeakPolarHBondContact O-CG2 3.27Å; Q1020-V1024 PolarHBondContact O-N 3.5Å; Q1020-V1024 VanDerWaalsContact O-N 3.09Å; V1021-V1024 PolarHBondContact O-N 3.4Å; I1022-V1024 VanDerWaalsContact C-N 3.26Å; I1022-V1024 PolarHBondContact O-N 2.89Å; V1024-V1026 VanDerWaalsContact C-N 3.33Å; V1024-D1027 CarbonylContact O-C 3.47Å; V1024-P1028 WeakPolarHBondContact O-CA 3.49Å; V1024-P1028 WeakPolarHBondContact O-CB 3.06Å; V1024-P1028 VanDerWaalsContact O-N 3.07Å
1025M84.8Confident84.4Confident84 Ų8458 Ų5841%0.41433%0.326SS..Hα-helixtrans-69.3-31.8174.1-72-17864.300112.8I985 V1021 I1022I985-M1025 HydrophobicContact CG1-CE 3.97Å; V1021-M1025 HydrophobicContact CG1-CG 4.42Å; V1021-M1025 HydrophobicContact CG1-SD 4.09Å; V1021-M1025 WeakPolarHBondContact O-CG 3.48Å; V1021-M1025 PolarHBondContact O-N 3.25Å; I1022-M1025 PolarHBondContact O-N 2.85Å; I1022-M1025 VanDerWaalsContact O-N 3.14Å
1026V84.1Confident82.9Confident20 Ų2058.4 Ų58.412%0.12133%0.334CS..Hα-helixtrans-75.5-39.3176.8166.30000111.1T967 K970 I971 L974 I1022 V1024T967-V1026 HydrophobicContact CG2-CG2 4.27Å; K970-V1026 HydrophobicContact CB-CG1 3.53Å; K970-V1026 HydrophobicContact CD-CG1 4.18Å; I971-V1026 HydrophobicContact CD1-CG2 4.03Å; I971-V1026 HydrophobicContact CG1-CG1 3.95Å; I971-V1026 HydrophobicContact CG1-CG2 3.73Å; L974-V1026 HydrophobicContact CD1-CG1 3.7Å; L974-V1026 VanDerWaalsContact CD1-O 3.27Å; L974-V1026 WeakPolarHBondContact CD1-O 3.38Å; I1022-V1026 HydrophobicContact CG2-CG2 3.96Å; I1022-V1026 VanDerWaalsContact O-CB 3.29Å; I1022-V1026 WeakPolarHBondContact O-CB 3.23Å; I1022-V1026 WeakPolarHBondContact O-CG2 3.27Å; I1022-V1026 PolarHBondContact O-N 2.94Å; V1024-V1026 VanDerWaalsContact C-N 3.33Å
1027D85.2Confident81.3Confident13 Ų1360.6 Ų60.67%0.0736%0.355CS..  trans-138.569.5-174.7-174.929.8000111.2K970 N1023 V1024 D1029 G1030 T1031 L1032 D1033K970-D1027 HydrophobicContact CD-CB 3.81Å; K970-D1027 VanDerWaalsContact CE-OD2 3.29Å; K970-D1027 WeakPolarHBondContact CE-OD2 3.32Å; K970-D1027 IonicContact NZ-OD2 2.63Å; K970-D1027 PolarHBondContact NZ-OD2 3.21Å; N1023-D1027 PolarHBondContact O-N 3.03Å; N1023-D1027 VanDerWaalsContact O-N 3.09Å; V1024-D1027 CarbonylContact O-C 3.47Å; D1027-D1029 PolarHBondContact O-N 2.95Å; D1027-G1030 PolarHBondContact O-N 2.67Å; D1027-G1030 VanDerWaalsContact O-N 3.15Å; D1027-G1030 PolarHBondContact OD1-N 2.78Å; D1027-G1030 VanDerWaalsContact OD2-C 3.29Å; D1027-G1030 WeakPolarHBondContact OD2-CA 3.47Å; D1027-T1031 PolarHBondContact OD1-N 2.91Å; D1027-L1032 HydrophobicContact CB-CB 4.19Å; D1027-L1032 HydrophobicContact CB-CD1 4.12Å; D1027-L1032 HydrophobicContact CB-CG 4.39Å; D1027-L1032 VanDerWaalsContact CG-N 3.32Å; D1027-L1032 PolarHBondContact OD1-N 3.18Å; D1027-L1032 WeakPolarHBondContact OD2-CB 3.42Å; D1027-L1032 PolarHBondContact OD2-N 3.27Å; D1027-L1032 VanDerWaalsContact OD2-N 3.14Å; D1027-D1033 PolarHBondContact OD2-N 3.3Å
1028P79.9Confident79.7Confident92 Ų9262 Ų6260%0.59737%0.366SS*.THydrogen-bonded Turntrans-64.3-30-173.525.6-35000112.7V1024V1024-P1028 WeakPolarHBondContact O-CA 3.49Å; V1024-P1028 WeakPolarHBondContact O-CB 3.06Å; V1024-P1028 VanDerWaalsContact O-N 3.07Å
1029D78.4Confident77.4Confident137 Ų13765.7 Ų65.773%0.73340%0.395SS*.THydrogen-bonded Turntrans-93.95.2-179.5-54.6-55.7000113D1027 T1031D1027-D1029 PolarHBondContact O-N 2.95Å; D1029-T1031 PolarHBondContact O-N 3.05Å; D1029-T1031 PolarHBondContact O-OG1 3.01Å
1030G78.4Confident75.2Confident35 Ų3572.4 Ų72.436%0.36143%0.43SS..SBendtrans60.711.2-179.200000115.5D1027 A1034D1027-G1030 PolarHBondContact O-N 2.67Å; D1027-G1030 VanDerWaalsContact O-N 3.15Å; D1027-G1030 PolarHBondContact OD1-N 2.78Å; D1027-G1030 VanDerWaalsContact OD2-C 3.29Å; D1027-G1030 WeakPolarHBondContact OD2-CA 3.47Å; G1030-A1034 PolarHBondContact O-N 2.96Å
1031T77.7Confident72.6Confident78 Ų7872.5 Ų72.548%0.47944%0.439SS..Hα-helixtrans-76.7-27.3-170.4-64.90000111.8D1027 D1029 L1035D1027-T1031 PolarHBondContact OD1-N 2.91Å; D1029-T1031 PolarHBondContact O-N 3.05Å; D1029-T1031 PolarHBondContact O-OG1 3.01Å; T1031-L1035 HydrophobicContact CG2-CD1 4.22Å; T1031-L1035 WeakPolarHBondContact O-CG 3.27Å; T1031-L1035 PolarHBondContact O-N 2.77Å
1032L76.3Confident69.4Low18 Ų1875 Ų759%0.09446%0.459CS..Hα-helixtrans-79.8-32.3176-56.1173.3000112.5K970 I973 L974 D1027 A1034 L1035 A1036K970-L1032 HydrophobicContact CB-CB 4.2Å; K970-L1032 HydrophobicContact CB-CD1 3.98Å; K970-L1032 HydrophobicContact CD-CB 4.14Å; K970-L1032 HydrophobicContact CG-CB 3.79Å; K970-L1032 HydrophobicContact CG-CD1 4.46Å; I973-L1032 HydrophobicContact CG2-CD2 3.89Å; L974-L1032 HydrophobicContact CD1-CD1 3.53Å; L974-L1032 HydrophobicContact CD2-CD1 3.87Å; L974-L1032 HydrophobicContact CG-CD1 3.51Å; D1027-L1032 HydrophobicContact CB-CB 4.19Å; D1027-L1032 HydrophobicContact CB-CD1 4.12Å; D1027-L1032 HydrophobicContact CB-CG 4.39Å; D1027-L1032 VanDerWaalsContact CG-N 3.32Å; D1027-L1032 PolarHBondContact OD1-N 3.18Å; D1027-L1032 WeakPolarHBondContact OD2-CB 3.42Å; D1027-L1032 PolarHBondContact OD2-N 3.27Å; D1027-L1032 VanDerWaalsContact OD2-N 3.14Å; L1032-A1034 VanDerWaalsContact C-N 3.32Å; L1032-L1035 HydrophobicContact CD2-CD1 4.37Å; L1032-L1035 PolarHBondContact O-N 2.76Å; L1032-A1036 WeakPolarHBondContact O-CB 3.46Å; L1032-A1036 PolarHBondContact O-N 3.03Å
1033D76.1Confident66.9Low58 Ų5879.9 Ų79.931%0.3149%0.493SS..Hα-helixtrans-61.4-42.6167-92.9-34000110.3K970 D1027 A1036 S1037K970-D1033 WeakPolarHBondContact CE-OD1 3.42Å; K970-D1033 WeakPolarHBondContact CE-OD2 3.28Å; K970-D1033 IonicContact NZ-OD1 2.69Å; K970-D1033 PolarHBondContact NZ-OD1 2.94Å; K970-D1033 IonicContact NZ-OD2 3.89Å; K970-D1033 PolarHBondContact NZ-OD2 3.12Å; D1027-D1033 PolarHBondContact OD2-N 3.3Å; D1033-A1036 PolarHBondContact O-N 3.28Å; D1033-S1037 WeakPolarHBondContact O-CB 3.47Å; D1033-S1037 PolarHBondContact O-N 3.33Å
1034A73.1Confident64.2Low45 Ų4584.2 Ų84.237%0.37252%0.52SS..Hα-helixtrans-60.3-50.3174.600000112.3G1030 L1032 A1036 S1037 L1038G1030-A1034 PolarHBondContact O-N 2.96Å; L1032-A1034 VanDerWaalsContact C-N 3.32Å; A1034-A1036 VanDerWaalsContact C-N 3.34Å; A1034-A1036 PolarHBondContact O-N 3.45Å; A1034-S1037 PolarHBondContact O-N 2.87Å; A1034-S1037 PolarHBondContact O-OG 3.18Å; A1034-L1038 WeakPolarHBondContact O-CG 3.21Å; A1034-L1038 PolarHBondContact O-N 3.33Å; A1034-L1038 VanDerWaalsContact O-N 3.13Å
1035L62.2Low61.8Low98 Ų9889.8 Ų89.851%0.51354%0.537SS..Hα-helixtrans-64.7-35.3178.2-72.2169.3000112.9T1031 L1032 L1038T1031-L1035 HydrophobicContact CG2-CD1 4.22Å; T1031-L1035 WeakPolarHBondContact O-CG 3.27Å; T1031-L1035 PolarHBondContact O-N 2.77Å; L1032-L1035 HydrophobicContact CD2-CD1 4.37Å; L1032-L1035 PolarHBondContact O-N 2.76Å; L1035-L1038 PolarHBondContact O-N 3.27Å
1036A62.9Low59.2Low58 Ų5892.1 Ų92.148%0.47956%0.556SS.*Hα-helixtrans-66.6-38.7173.100000111.8L1032 D1033 A1034 L1038 S1039L1032-A1036 WeakPolarHBondContact O-CB 3.46Å; L1032-A1036 PolarHBondContact O-N 3.03Å; D1033-A1036 PolarHBondContact O-N 3.28Å; A1034-A1036 VanDerWaalsContact C-N 3.34Å; A1034-A1036 PolarHBondContact O-N 3.45Å; A1036-L1038 PolarHBondContact O-N 3.37Å; A1036-S1039 PolarHBondContact O-N 3.27Å
1037S59.8Low56.8Low92 Ų9296.7 Ų96.764%0.64359%0.586SS**Hα-helixtrans-67.1-22.8175.5800000113.9D1033 A1034 S1039D1033-S1037 WeakPolarHBondContact O-CB 3.47Å; D1033-S1037 PolarHBondContact O-N 3.33Å; A1034-S1037 PolarHBondContact O-N 2.87Å; A1034-S1037 PolarHBondContact O-OG 3.18Å; S1037-S1039 VanDerWaalsContact C-N 3.32Å
1038L58.6Low54.2Low125 Ų125103.2 Ų103.265%0.65463%0.626SS**THydrogen-bonded Turntrans-90.26.3179.7-69.1170.5000113.5A1034 L1035 A1036 L1040A1034-L1038 WeakPolarHBondContact O-CG 3.21Å; A1034-L1038 PolarHBondContact O-N 3.33Å; A1034-L1038 VanDerWaalsContact O-N 3.13Å; L1035-L1038 PolarHBondContact O-N 3.27Å; A1036-L1038 PolarHBondContact O-N 3.37Å; L1038-L1040 PolarHBondContact O-N 3.48Å
1039S45.6Very low51.9Low100 Ų100103.8 Ų103.870%0.69964%0.639SS**THydrogen-bonded Turntrans45.760.7160.968.40000116.7A1036 S1037A1036-S1039 PolarHBondContact O-N 3.27Å; S1037-S1039 VanDerWaalsContact C-N 3.32Å
1040L46.7Very low49.5Very low155 Ų155107.5 Ų107.581%0.81265%0.649SS**  trans-110.6144.4154.5-70179.3000110.2L1038L1038-L1040 PolarHBondContact O-N 3.48Å
1041T37.7Very low47.1Very low131 Ų131110.9 Ų110.980%0.80467%0.673SS**  trans74.480-179.467.80000117.7
1042S26.9Very low44.8Very low102 Ų102113.7 Ų113.771%0.71369%0.691SS**  -63.9147.7127.2-73.50000109.1T1044S1042-T1044 PolarHBondContact O-N 2.73Å
1043P36.2Very low42.7Very low129 Ų129118.2 Ų118.284%0.83872%0.721SS**  trans-79.961.8-175.534-37.1000112.7
1044T31Very low40.6Very low114 Ų114121.5 Ų121.570%0.69975%0.745SS**  trans-73.9126169.1-53.60000109.3S1042 V1046S1042-T1044 PolarHBondContact O-N 2.73Å; T1044-V1046 PolarHBondContact O-N 3.15Å
1045K36.8Very low38.4Very low201 Ų201125.9 Ų125.987%0.87477%0.768SS**  trans-59.1129.3176-61.7176-178.7176.90110
1046V30.5Very low36.8Very low133 Ų133125.9 Ų125.981%0.80678%0.782SS**  trans-120.4117172.2-167.80000109.2T1044T1044-V1046 PolarHBondContact O-N 3.15Å
1047P33.4Very low35.2Very low117 Ų117129.7 Ų129.776%0.7680%0.799SS**  trans-75.4151.3173.631.7-33.9000111.2A1049P1047-A1049 PolarHBondContact O-N 2.72Å
1048T30.6Very low33.8Very low149 Ų149130.5 Ų130.591%0.91481%0.805SS**  trans-69.9124.6-177.149.50000113.2
1049A30.5Very low32.8Very low104 Ų104130.9 Ų130.986%0.8682%0.815SS**  trans-140.4156.9161.800000109.8P1047P1047-A1049 PolarHBondContact O-N 2.72Å
1050K28.7Very low31.7Very low215 Ų215130.6 Ų130.694%0.93582%0.818SS**  trans-129.4111.6-156.7-177.8-176.3-177.4-179.50112
1051A27.6Very low30.9Very low107 Ų107132.4 Ų132.488%0.88482%0.82SS**  trans-153.5147.7170.100000112
1052T30.6Very low30.3Very low137 Ų137134.7 Ų134.784%0.8482%0.821SS**PPolyproline II helixtrans-93.4161.2179.117.20000112.5
1053P32Very low30.3Very low112 Ų112135.3 Ų135.373%0.72783%0.825SS**PPolyproline II helixtrans-86.5155.3-170.134.9-36.2000114.1
1054P31.5Very low29.8Very low127 Ų127136.7 Ų136.783%0.82583%0.825SS**PPolyproline II helixtrans-84.9137167.833.7-32.2000112
1055T26.1Very low30.2Very low138 Ų138136.1 Ų136.185%0.84782%0.823SS**PPolyproline II helixtrans-84.3134.9169.7-57.70000110.5
1056A28.3Very low29.6Very low98 Ų98134.6 Ų134.681%0.8182%0.819SS**  trans-128.4156.8166.600000110.1
1057V31.3Very low29.4Very low138 Ų138135.2 Ų135.284%0.83682%0.816SS**  trans-110.4155.5-158-171.10000112.9
1058S28.6Very low29.2Very low109 Ų109137 Ų13776%0.76282%0.818SS**  trans-56.5159.3-176.8-49.40000115.9
1059P37.8Very low29.6Very low133 Ų133136 Ų13686%0.86481%0.814SS**  trans-91.4169.8-165.537.2-38.4000115.6
1060A24.1Very low29.4Very low93 Ų93134 Ų13477%0.76980%0.804SS**  trans-142.9118.717400000114.1
1061K30Very low29.9Very low194 Ų194129.6 Ų129.684%0.84380%0.798SS**  trans43161.6141.4-63.9-170.9176.6-174.30124
1062E23.2Very low29.9Very low179 Ų179132.7 Ų132.784%0.83680%0.799SS**  trans65.2142.9176.9-98.979-14100115.8
1063S27.4Very low29.7Very low114 Ų114129.4 Ų129.480%0.79779%0.793SS**  cis-153.2167.3-0.753.40000112.7
1064L25.4Very low29.5Very low159 Ų159130.2 Ų130.283%0.83280%0.801SS**  trans-84.6-177.9169.1-92.2170.6000111.1
1065P41.2Very low29.3Very low102 Ų102128.5 Ų128.566%0.66280%0.798SS**  cis-118.3-163.73.945.9-32.1000112.5
1066E22.9Very low29.4Very low168 Ų168127.1 Ų127.179%0.78580%0.8SS**  cis-149.7-1591.6-139.6157.391.200106.8
1067I27.3Very low29.2Very low147 Ų147127.4 Ų127.475%0.75480%0.797SS**  cis-140.416013-60.6171.6000108.2
1068L29.5Very low29.1Very low153 Ų153127.1 Ų127.180%0.80180%0.795SS**  trans-111.4156.8172.1-67.5174.5000112.5
1069P37.8Very low28.9Very low128 Ų128132.7 Ų132.783%0.83180%0.799SS**  -119.4161.982.8-0.221.9000112.3
1070G26.3Very low28.5Very low63 Ų63131.5 Ų131.565%0.64979%0.789SS**  cis99.1140.623.600000110.4
1071P39.5Very low28.6Very low123 Ų123135.4 Ų135.480%0.79979%0.792SS**  cis-127.6168.923.942.4-29.6000115.7
1072D27.3Very low28.4Very low171 Ų171131 Ų13191%0.91479%0.786SS**  -162.8146.7125.7-117.1-22.5000109.4
1073G26.5Very low28.7Very low68 Ų68127.8 Ų127.870%0.70178%0.783SS**  trans147.795.8171.400000118.4
1074S27.3Very low28.8Very low129 Ų129127 Ų12790%0.90278%0.783SS**  trans-167.4138.6150.8-88.70000109.7
1075A27.5Very low29Very low92 Ų92123.9 Ų123.976%0.7678%0.78SS**  cis-159-175.6-2.500000111.5
1076A27.9Very low28.3Very low108 Ų108123.6 Ų123.689%0.89378%0.781SS**  trans78.2156.4167.700000117.9
1077S25.2Very low28.6Very low105 Ų105120.7 Ų120.773%0.73478%0.775SS**  trans-140.9-179.5-164.7-179.20000110.4
1078T28.5Very low28.7Very low131 Ų131122.8 Ų122.880%0.80478%0.781SS**  trans81.7146.6177.6740000116.1
1079R25.5Very low28.6Very low227 Ų227118.8 Ų118.886%0.85778%0.777SS**  cis-174.1171.7-19.1179-176.9176.9-170.8-0.1106.5
1080V27.6Very low28.3Very low108 Ų108123 Ų12366%0.65578%0.776SS**  trans9198.8161.7-168.80000117.5
1081Q27.6Very low28.3Very low174 Ų174127.6 Ų127.681%0.81378%0.781SS**  43.1135.4128.2-59.2178.1-41.500123.8
1082S26.3Very low27.8Very low103 Ų103125.1 Ų125.172%0.7278%0.777SS**  82.3117.4129.861.90000122.8
1083S28Very low27.9Very low111 Ų111124.6 Ų124.678%0.77677%0.773SS**  82.496.8126.9-640000121.9
1084A29.1Very low28.1Very low96 Ų96128.5 Ų128.579%0.79378%0.783SS**  84.6164106.300000120.5
1085A29.5Very low28.1Very low95 Ų95125.7 Ų125.779%0.78578%0.775SS**  trans66145.2177.300000116.6
1086S26.8Very low28.2Very low95 Ų95129.8 Ų129.866%0.66478%0.783SS**  cis178.3-178.5-3548.60000106.7
1087T30.9Very low28.3Very low108 Ų108130 Ų13066%0.66378%0.778SS**  trans63.3113.4160.240.80000116.2
1088E28.2Very low28.4Very low191 Ų191132.6 Ų132.689%0.89378%0.782SS**  65.4137.697.5-66.8-171.4127.300115
1089G27.4Very low28.5Very low69 Ų69130.5 Ų130.571%0.71178%0.778SS**  cis162.5162.6-5.300000113.2
1090R30.6Very low28.6Very low215 Ų215130.6 Ų130.681%0.81178%0.779SS**  trans70.4132.4165.5-57.217970.5161.6-2.1119.9
1091E27.5Very low28.7Very low161 Ų161131 Ų13175%0.75278%0.781SS**  trans66.5135141.5-69.3160.7-137.700121.3
1092G28.9Very low28.8Very low70 Ų70129.2 Ų129.272%0.72278%0.782SS**  trans162.854.6173.400000120.5
1093I28.8Very low29Very low161 Ų161127.4 Ų127.483%0.82678%0.78SS**  trans48.6119.9136.6-65.1174.9000120.8
1094V30.7Very low29.3Very low149 Ų149130.5 Ų130.590%0.90379%0.787SS**  trans70.5135.5151.3171.20000120.4
1095G28.4Very low30.1Very low71 Ų71130.5 Ų130.573%0.73278%0.779SS**  trans157.9115157.900000115.2
1096L29Very low30.1Very low178 Ų178135.1 Ų135.193%0.93278%0.781SS**  trans-80.7139.9168.5-82.864.9000110.4
1097S29.1Very low30.3Very low113 Ų113135.1 Ų135.179%0.7978%0.781SS**  -179.6113.9126.2-165.10000115
1098L29.1Very low30.5Very low158 Ų158141.3 Ų141.383%0.82779%0.793SS**  trans52.1108.2133.9-154.965.5000123.1
1099A28.9Very low30.8Very low87 Ų87143.8 Ų143.872%0.71979%0.794SS**  trans59.3117.2137.900000123.3
1100R28.2Very low31.5Very low229 Ų229151.5 Ų151.586%0.86480%0.801SS**  -162.9134.4113.7-119.1-165.7163.4106.5-5115
1101V29.5Very low32.1Very low116 Ų116147 Ų14770%0.70380%0.8SS**  41.8118.8126.1172.10000120.2
1102V30.4Very low32.3Very low137 Ų137144.5 Ų144.583%0.8380%0.8SS**  trans63.5101.6148.4178.40000118.9
1103G30.1Very low32.6Very low66 Ų66145 Ų14568%0.6881%0.805SS**  76.5124.4106.100000120.4
1104L33.3Very low32.9Very low175 Ų175146.2 Ų146.292%0.91681%0.807SS**  trans-164.2155.8138.9-98155000108.3
1105P46.2Very low33.2Very low97 Ų97148 Ų14863%0.6381%0.806SS**  trans-95.7168.7-172.837.8-34.7000113.2
1106F30.5Very low33.7Very low192 Ų192148.5 Ų148.584%0.84280%0.803SS**  -176.5153.4122.5-118.8-96.3000115.3
1107S31.4Very low34.2Very low94 Ų94148.1 Ų148.166%0.65780%0.8SS**  trans39.5105.9154.456.50000122.9
1108R34.3Very low34.8Very low239 Ų239147.6 Ų147.690%0.90280%0.803SS**  32.6111.7107.8-176.2-162.7-67.5-131.7-0.9118.2
1109R35.2Very low35.2Very low243 Ų243149.2 Ų149.292%0.91781%0.806SS**  trans-141.8154.4138.8-70.1-165.8-170.7-105-0.1110.8
1110R40.7Very low35.9Very low231 Ų231158.1 Ų158.187%0.87283%0.829SS**  trans-83.1154163.9-75.2178.2170.9171.1-5.6109.5
1111P44Very low36.3Very low119 Ų119154.6 Ų154.677%0.77383%0.827SS**  -116.7157.3105.733.1-31.8000111.3
1112S31.8Very low36.6Very low109 Ų109156.6 Ų156.676%0.76283%0.833SS**  cis64.498.610.279.50000116.9
1113G34.2Very low37Very low81 Ų81157.7 Ų157.784%0.83583%0.834SS**  trans15889.9178.200000111.7
1114E36.4Very low37.4Very low186 Ų186163.1 Ų163.187%0.86984%0.843SS**  trans-64.8-178.8162.5-174.3167.9-17500111.7
1115E37.5Very low37.6Very low187 Ų187162.4 Ų162.487%0.87484%0.838SS**  trans70.3157.2179.8-56.7-166.5136.200117.4
1116A38.5Very low37.1Very low81 Ų81166.7 Ų166.767%0.66985%0.852SS**  cis-168.3149-37.800000109.3
1117I39.5Very low37.5Very low171 Ų171164.9 Ų164.988%0.87785%0.852SS**  trans15.1109.1147.9-49.3169.1000117.4
1118A40.9Very low38Very low101 Ų101170.4 Ų170.484%0.83587%0.867SS**  trans-148.1139.6151.900000111.3
1119Q38.4Very low38.3Very low192 Ų192164.7 Ų164.790%0.89787%0.865SS**  trans-78.9146.9-172.8-58.7155.7-3700112.7
1120K42.4Very low38.6Very low275 Ų275157.5 Ų157.5100%1.19686%0.86SS**  -155.70119.3-143.8171.8-175.7176.70112.6

Retrieved 1,120 of 1,120 residues in 808.6 ms (Link to these results)