A0A096MF51_POEFO Loading...

Transcription factor 4

AlphaFold DB , UniProt , Accession A0A096MF51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 697 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.5Very low46.5Very low231 Ų231148.7 Ų148.7100%1.13878%0.78SS**  0101.30-61.8165.5-178.500106
2F43.7Very low46Very low212 Ų212150.9 Ų150.993%0.9378%0.782SS**  cis67.346.117.8-87.5-66.9000115.5
3V51.7Low45.6Very low151 Ų151152.2 Ų152.292%0.91578%0.782SS**  trans-145.3128.6143.9-174.50000106.5
4G46.9Very low45.8Very low51 Ų51152.1 Ų152.153%0.52678%0.777SS.*SBendtrans179.7-77.3-177.500000114L6G4-L6 PolarHBondContact O-N 2.91Å
5D49.9Very low45.5Very low148 Ų148157.1 Ų157.179%0.79178%0.782SS**THydrogen-bonded Turntrans-79.9-10.7-161.9-63.8-61.7000116.6A7 K8D5-A7 PolarHBondContact O-N 3.49Å; D5-K8 PolarHBondContact O-N 3.07Å
6L47.7Very low45.3Very low154 Ų154158.4 Ų158.481%0.80679%0.788SS**Hα-helixtrans-68.9-16.6-179.5-156.765.9000113.3G4G4-L6 PolarHBondContact O-N 2.91Å
7A51.7Low45.3Very low79 Ų79155.1 Ų155.165%0.65379%0.791SS**Hα-helixtrans-78.9-18.4-178.700000114.7D5D5-A7 PolarHBondContact O-N 3.49Å
8K45.4Very low45.3Very low180 Ų180151.4 Ų151.478%0.78379%0.789SS**Hα-helixtrans-92.7-22-175-91.9175.1176.6170.30115D5D5-K8 PolarHBondContact O-N 3.07Å
9M43.6Very low45Very low147 Ų147153.1 Ų153.172%0.72480%0.797SS**Hα-helixtrans-73-37.8-177.8-161-171.6-61.100112.7H11M9-H11 VanDerWaalsContact C-N 3.33Å; M9-H11 PolarHBondContact O-N 3.04Å
10H44.5Very low44.8Very low128 Ų128149.5 Ų149.559%0.59380%0.799SS**THydrogen-bonded Turntrans-73.2-22.1-170.9-154.5174.9000113.7H12H10-H12 PolarHBondContact O-N 3.35Å
11H45Very low44.7Very low155 Ų155148.5 Ų148.572%0.71880%0.799SS**THydrogen-bonded Turntrans-81.8-10.6-169.4-128.6-42.9000115.3M9M9-H11 VanDerWaalsContact C-N 3.33Å; M9-H11 PolarHBondContact O-N 3.04Å
12H40Very low45.2Very low175 Ų175142.1 Ų142.181%0.8177%0.769SS**THydrogen-bonded Turntrans-95.2-29.5178.9-164.562.9000113.1H10 Q14H10-H12 PolarHBondContact O-N 3.35Å; H12-Q14 VanDerWaalsContact C-N 3.29Å; H12-Q14 PolarHBondContact O-N 3.3Å
13Q41.6Very low45.7Very low167 Ų167140.1 Ų140.178%0.7876%0.76SS**THydrogen-bonded Turntrans-81.7-3.4-173-155.8168.218.500114.2
14Q47.5Very low45.6Very low152 Ų152141 Ų14171%0.7175%0.754SS**THydrogen-bonded Turntrans-112.731.6-170.5-139.2173.244.600114.2H12H12-Q14 VanDerWaalsContact C-N 3.29Å; H12-Q14 PolarHBondContact O-N 3.3Å
15R41.1Very low45.7Very low226 Ų226143.9 Ų143.985%0.85376%0.757SS**  trans-13251.2168.6-104.9-170.2-66.7-158.3-1.4113.3
16M42.5Very low45.7Very low178 Ų178140.2 Ų140.288%0.87774%0.743SS**  trans-95.3154.2152.2-81.3-70.4-80.800109.5
17A46.6Very low46.1Very low102 Ų102139.6 Ų139.684%0.84374%0.74SS**  trans65.284.2176.400000117.6
18A44.5Very low46Very low90 Ų90142 Ų14274%0.74474%0.742SS**  trans-166114.5137.300000112.7
19L39.3Very low46.5Very low183 Ų183140.4 Ų140.496%0.95874%0.741SS**  trans55.9126.1144.5-52.5171.7000120.3
20G41.9Very low46.3Very low80 Ų80139.5 Ų139.583%0.82574%0.739SS**  trans157.590.4165.800000112.7
21T42.6Very low46.5Very low130 Ų130142.6 Ų142.680%0.79875%0.751SS**  trans-64.4140-177.249.80000112.9
22D51.4Low46.4Very low97 Ų97140.2 Ų140.252%0.51975%0.752SS.*  trans-47.3140.5156.717120.6000110.8E24 L25D22-E24 PolarHBondContact OD1-N 3.38Å; D22-L25 PolarHBondContact OD1-N 3.49Å; D22-L25 VanDerWaalsContact OD1-N 3.16Å; D22-L25 VanDerWaalsContact OD2-CB 3.32Å; D22-L25 WeakPolarHBondContact OD2-CB 3.39Å; D22-L25 WeakPolarHBondContact OD2-CD1 3.33Å; D22-L25 VanDerWaalsContact OD2-CG 3.25Å; D22-L25 WeakPolarHBondContact OD2-CG 3.4Å
23K54.7Low46.4Very low169 Ų169136.5 Ų136.574%0.73575%0.751SS**  trans-145.710.9178.9-150.5-178.1177.8-177.50112.8
24E49.5Very low46.3Very low169 Ų169137.2 Ų137.279%0.7976%0.757SS**SBendtrans-113.1-20.9-178.3-65.8-171168.500112D22 S26D22-E24 PolarHBondContact OD1-N 3.38Å; E24-S26 VanDerWaalsContact C-N 3.32Å
25L48Very low46.1Very low113 Ų113135.1 Ų135.159%0.59276%0.757SS**SBendtrans-78.6-14170.5-56.9-172.5000113.7D22D22-L25 PolarHBondContact OD1-N 3.49Å; D22-L25 VanDerWaalsContact OD1-N 3.16Å; D22-L25 VanDerWaalsContact OD2-CB 3.32Å; D22-L25 WeakPolarHBondContact OD2-CB 3.39Å; D22-L25 WeakPolarHBondContact OD2-CD1 3.33Å; D22-L25 VanDerWaalsContact OD2-CG 3.25Å; D22-L25 WeakPolarHBondContact OD2-CG 3.4Å
26S51.4Low46Very low71 Ų71132.1 Ų132.150%0.49776%0.757SS.*SBendtrans-67-42179.8-540000113.1E24 L28E24-S26 VanDerWaalsContact C-N 3.32Å; S26-L28 VanDerWaalsContact C-N 3.25Å; S26-L28 PolarHBondContact O-N 2.85Å
27D55.4Low45.7Very low140 Ų140128 Ų12875%0.74975%0.746SS**THydrogen-bonded Turntrans-78.3-7.5-169.8-69.97.3000113.3
28L50.2Low45.1Very low130 Ų130130.6 Ų130.668%0.68175%0.746SS**THydrogen-bonded Turntrans-90.9-0.9179.3-73.5172.5000114.4S26S26-L28 VanDerWaalsContact C-N 3.25Å; S26-L28 PolarHBondContact O-N 2.85Å
29L54.3Low44.7Very low147 Ų147133.8 Ų133.877%0.7775%0.749SS**SBendtrans-111.7-12.7-174.8-67.2176.6000115.1F31L29-F31 PolarHBondContact O-N 3.49Å
30D40.9Very low44.5Very low127 Ų127133 Ų13368%0.67974%0.738SS**  trans-89.885.4-178.6-165.1-10.5000113.2S32D30-S32 VanDerWaalsContact C-N 3.34Å; D30-S32 PolarHBondContact O-N 3.06Å; D30-S32 PolarHBondContact OD1-N 3.44Å; D30-S32 VanDerWaalsContact OD1-N 3.12Å
31F48.3Very low44Very low194 Ų194137.2 Ų137.285%0.85174%0.739SS**  trans-88.255.4169.5-82.4-91.2000112.3L29L29-F31 PolarHBondContact O-N 3.49Å
32S41.6Very low43.8Very low105 Ų105139.3 Ų139.373%0.73474%0.737SS**  trans-148.360.8178.1-83.20000116.6D30D30-S32 VanDerWaalsContact C-N 3.34Å; D30-S32 PolarHBondContact O-N 3.06Å; D30-S32 PolarHBondContact OD1-N 3.44Å; D30-S32 VanDerWaalsContact OD1-N 3.12Å
33A41.1Very low43.4Very low96 Ų96140.6 Ų140.679%0.79375%0.751SS**  trans-13961.8172.200000115P35A33-P35 WeakPolarHBondContact O-CD 3.32Å
34M39.5Very low42.3Very low183 Ų183137.6 Ų137.690%0.90175%0.747SS**  trans-105.1108.5164.2-87.9-166.3172.300112
35P42.6Very low41.5Very low108 Ų108134.8 Ų134.870%0.70175%0.746SS**  trans-93.9134.6158.932.9-28000111.3A33A33-P35 WeakPolarHBondContact O-CD 3.32Å
36N40.3Very low41Very low163 Ų163138 Ų13887%0.87276%0.76SS**  trans-91.5103.1174.6-96.6-101.4000111.2
37S35.7Very low40.1Very low92 Ų92143 Ų14364%0.64378%0.778SS**  trans-165.8131.5166.448.60000108.1
38D33.9Very low39Very low156 Ų156145.7 Ų145.783%0.83478%0.783SS**  cis-126.8149.515.5-71.1-56.7000114
39L36.8Very low38.4Very low156 Ų156143.7 Ų143.782%0.81778%0.78SS**  trans-141126.2167.4-164.879.6000109.5
40K34.9Very low37.5Very low166 Ų166142.2 Ų142.272%0.72278%0.779SS**  trans80.2140.4-169.5-48.4151.9-173.51700111.8
41M31.5Very low37.7Very low170 Ų170142 Ų14284%0.83778%0.784SS**  cis-128159.818.1-79.2-69-175.100115.4
42F36.7Very low37.2Very low173 Ų173139.3 Ų139.376%0.75978%0.784SS**  trans-66.4166.4169.4-76.5-82000112.9
43P43.4Very low36.9Very low124 Ų124140.3 Ų140.381%0.80579%0.791SS**  cis-121.3150.942.6168.8000115.6
44T33.1Very low36.5Very low106 Ų106141.9 Ų141.965%0.6580%0.796SS**  cis89134.946.7-56.20000113.2
45S32.3Very low36.2Very low111 Ų111136.3 Ų136.378%0.77679%0.785SS**  trans75.8143.5-171.9880000114.3
46M36.2Very low36.1Very low181 Ų181140 Ų14089%0.89279%0.79SS**  cis-128.6157.8-3-73.7-171.5-73.800111.4
47M33.8Very low36Very low175 Ų175139.5 Ų139.586%0.86279%0.787SS**  trans-84.2147.6166-62.2-176.57400110.8
48F31Very low35.9Very low197 Ų197138.9 Ų138.986%0.86480%0.796SS**  trans-147.5126156.4-152.1-98.3000111.7
49S38.3Very low37Very low87 Ų87137 Ų13761%0.60879%0.792SS**PPolyproline II helixtrans-93.1158.4175.2-69.60000110.6
50P36.5Very low37.1Very low116 Ų116136.4 Ų136.475%0.75380%0.795SS**PPolyproline II helixtrans-63.5152.1-177.626-35.6000113
51P44.8Very low37Very low122 Ų122134 Ų13479%0.79280%0.799SS**PPolyproline II helixtrans-73.2137.7-17429.5-35.4000113
52V37.8Very low37.6Very low138 Ų138134.1 Ų134.184%0.83680%0.802SS**  trans-106.2152.2165.2-68.90000110.4
53S35.4Very low37.3Very low127 Ų127129.6 Ų129.689%0.88880%0.804SS**  trans-71.1150.2-177.247.30000113
54S31.6Very low37Very low129 Ų129129.8 Ų129.890%0.90281%0.809SS**  trans-108144.1-165.1-177.70000114.9
55G33.8Very low37.1Very low65 Ų65127.9 Ų127.967%0.6781%0.81SS**  trans131.4134.6165.400000113.8
56K39.9Very low37.4Very low185 Ų185131.6 Ų131.680%0.80482%0.815SS**  cis-167.7152.8-2.8-140.5-178.3178.9176.80110.6
57N39Very low37.1Very low153 Ų153133 Ų13382%0.81882%0.816SS**  trans83.6130.8160.7-39.1-34.4000121.2
58G33Very low37.1Very low79 Ų79129.8 Ų129.881%0.81481%0.811SS**  trans111.7122146.700000120.8
59P58.2Low37.1Very low118 Ų118123.7 Ų123.777%0.76680%0.804SS**  trans-130.5-171.5-179.843.2-29.8000118.2
60T37.9Very low37.1Very low143 Ų143125.3 Ų125.388%0.87782%0.815SS**  trans94.9150.7175.772.30000116.8
61S32.6Very low36.7Very low115 Ų115124.8 Ų124.880%0.80481%0.814SS**  cis-147.9-161.410-1570000114.5
62L44.7Very low36.1Very low172 Ų172127.3 Ų127.390%0.90182%0.818SS**  trans-122158.5-154.7-64.2166.5000119.6
63G30.9Very low36.2Very low78 Ų78129 Ų12980%0.80482%0.816SS**  trans100.7166.514100000120.2
64S37.1Very low35.9Very low128 Ų128131 Ų13190%0.89581%0.812SS**  cis-175.3140.4-23.4-169.50000113.8
65G33.7Very low35.9Very low66 Ų66135.2 Ų135.268%0.6881%0.808SS**  trans76.3178.3153.900000121.1
66H39.4Very low35.7Very low189 Ų189139.3 Ų139.388%0.87582%0.82SS**  cis178.1128.3-39.1-130.4-119.6000111.4
67F29.5Very low35.2Very low210 Ų210138.1 Ų138.192%0.92182%0.822SS**  trans-170.7-176.4146.4-131-104.1000115.7
68S34.8Very low34.8Very low109 Ų109135 Ų13576%0.76282%0.818SS**  trans-155.6164-151.5-172.90000116.7
69G31.2Very low34.6Very low69 Ų69135.6 Ų135.671%0.71182%0.815SS**  trans104157.2162.300000117.6
70S37Very low33Very low120 Ų120134.9 Ų134.984%0.83981%0.813SS**  cis-169.4144.5-15.355.40000113.9
71S28Very low32.6Very low105 Ų105139.5 Ų139.573%0.73482%0.815SS**  trans-8144.4162.9-168.50000123
72M32.8Very low32.3Very low176 Ų176138.7 Ų138.787%0.86782%0.815SS**  -162.4151.4117.4-164.3161.3-175.400112.6
73E39Very low31.5Very low173 Ų173136.2 Ų136.281%0.80881%0.812SS**  trans-132.6141179.9-63.7158.891.400111.7
74E30.1Very low31.4Very low169 Ų169136.1 Ų136.179%0.7981%0.811SS**  trans-148.8103.5155.7-167.5147.2-143.900115.7
75R32.4Very low31.1Very low217 Ų217133.9 Ų133.982%0.81980%0.795SS**  trans20.5130.2136.7-53.8165.1-175.5-96.3-7.6120
76T28.8Very low30.9Very low151 Ų151141.3 Ų141.393%0.92680%0.803SS**  -158.1144.6111.53.70000111.4
77N29.3Very low30.4Very low160 Ų160137.7 Ų137.786%0.85680%0.799SS**  trans-160.1122.5-178.1-179.46.1000111.2
78A30.6Very low30.6Very low87 Ų87133.3 Ų133.372%0.71979%0.794SS**  trans-166113.6161.100000107.8
79A28Very low30.4Very low92 Ų92137.7 Ų137.776%0.7680%0.799SS**  82.1152.896.200000113.1
80S25.7Very low30.1Very low103 Ų103139.3 Ų139.372%0.7280%0.8SS**  cis-159.9-178.79.9-151.20000112.8
81W28.3Very low29.7Very low241 Ų241144.6 Ų144.691%0.91380%0.803SS**  trans87.996.7163.1-60.57.5000119.7
82A27.9Very low29.8Very low98 Ų98144.2 Ų144.281%0.8181%0.806SS**  -4.3159.6116.100000118.6
83S26.5Very low29.5Very low119 Ų119144 Ų14483%0.83281%0.808SS**  cis-171.4154.4-7.7166.20000108.8
84G28.9Very low29.1Very low77 Ų77138.5 Ų138.579%0.79480%0.798SS**  trans-157.7131.8172.200000110.9
85S30.8Very low29.1Very low81 Ų81136.4 Ų136.457%0.56680%0.803SS**  trans-134.8173-172.261.20000112.4
86R30.7Very low29.1Very low222 Ų222134.6 Ų134.684%0.83880%0.803SS**  trans52.7121.116068-163162.3-145.5-8.1116.8
87S27.7Very low29.2Very low112 Ų112137.6 Ų137.678%0.78380%0.804SS**  -169.7146.869.3-62.30000112.6
88S34.3Very low29.3Very low118 Ų118137.9 Ų137.983%0.82580%0.802SS**  trans-78.7144.4158.6-49.30000110.3
89K30.2Very low29.3Very low201 Ų201138 Ų13887%0.87480%0.803SS**  trans-158.1131.6153.7-117.5168.4-174.4179.40111.5
90S25.5Very low29.4Very low103 Ų103138.1 Ų138.172%0.7280%0.799SS**  trans-79160.416645.10000110.7
91Y28Very low29.7Very low231 Ų231141.2 Ų141.291%0.90680%0.801SS**  trans-133.3146.8148.8-102.9-85.4000108.2
92A30.3Very low29.8Very low97 Ų97135.9 Ų135.980%0.80279%0.79SS**  trans-143.1132.5178.600000108.8
93D27.1Very low29.9Very low171 Ų171136.6 Ų136.691%0.91479%0.79SS**  trans-164.1145.9166.2-146.728.9000106.3
94G30.4Very low30.4Very low58 Ų58138.7 Ų138.760%0.59879%0.791SS**  cis148.474-400000112.7
95S29.2Very low30.5Very low126 Ų126140.1 Ų140.188%0.88179%0.788SS**  trans-158.9139.116328.10000111.3
96Q32.8Very low31Very low178 Ų178141.3 Ų141.383%0.83279%0.794SS**  trans-113.3146.1178.2-61.5167.8-27.200108.2
97F31Very low31.8Very low215 Ų215136.9 Ų136.994%0.94379%0.794SS**  trans-152.7166132.6-107.6-70.5000109.7
98M32.3Very low31.9Very low166 Ų166141.8 Ų141.882%0.81880%0.797SS**  trans-106.3169-157-72.1-92.29300114.2
99A30Very low31.8Very low90 Ų90140.5 Ų140.574%0.74479%0.788SS**  trans80.3143.6159.400000117.9
100S29.8Very low31.8Very low94 Ų94138.1 Ų138.166%0.65779%0.785SS**  cis-170.6152.9-18.5-100.10000109.4
101H31.8Very low32Very low167 Ų167137.1 Ų137.177%0.77378%0.778SS**  trans63.9151.5165-64.1-57.6000117.1
102D29.8Very low32.1Very low129 Ų129136.8 Ų136.869%0.6978%0.775SS**  cis-159.1173.2-33.8-134.9-55.8000109.6
103S31.1Very low32.4Very low113 Ų113140.7 Ų140.779%0.7978%0.781SS**  trans55.9138.2165.1670000121
104L37.5Very low32.8Very low164 Ų164139 Ų13986%0.85978%0.777SS**  trans-110.9132.1-179-81.9155.9000112.2
105S30.3Very low32.8Very low106 Ų106140.1 Ų140.174%0.74179%0.789SS**  trans63.7-156.7143.6-51.60000116.7
106P41.8Very low32.9Very low106 Ų106143.7 Ų143.769%0.68879%0.789SS**  -118.3175.4-101.637.6-20.2000114
107P46.4Very low33Very low129 Ų129141 Ų14184%0.83879%0.79SS**  trans-83.4151.6-159.132.7-36.5000115.2
108Y29.8Very low32.9Very low215 Ų215139.6 Ų139.684%0.84379%0.786SS**  trans-123.6129.4169.8-92.1-82.3000113.3
109S32.6Very low32.8Very low91 Ų91141.2 Ų141.264%0.63678%0.783SS**  trans21.5126.5141.1-54.20000121.1
110N30.8Very low32.7Very low151 Ų151141.8 Ų141.881%0.80778%0.782SS**  159.1162.5120.1-88.4-56.4000111.7
111S30Very low32.8Very low82 Ų82142.6 Ų142.657%0.57379%0.788SS**  cis-169.4147.9-36.8-110.70000109.7
112R29.4Very low32.6Very low224 Ų224142.8 Ų142.885%0.84578%0.782SS**  trans43.2115.2148.7-55.9174.4-175.1-135.70.3119.4
113L37.4Very low33.3Very low179 Ų179142 Ų14294%0.93779%0.785SS**  trans-124.3150.8135.5-79.3179.8000110.2
114T34.2Very low33.1Very low135 Ų135147.6 Ų147.683%0.82879%0.79SS**  trans-106.194.9-166.343.40000112.4
115G31.7Very low33.2Very low82 Ų82142.9 Ų142.985%0.84578%0.781SS**  trans-95.497.117600000113
116K30.1Very low33.3Very low202 Ų202148.4 Ų148.488%0.87879%0.785SS**  trans-76.4141.6168.547177.7171.5175.40110.5
117S35.1Very low32.8Very low122 Ų122149.4 Ų149.485%0.85378%0.781SS**  trans-57.2137.3-178.7-50.90000113.1
118E28.3Very low32Very low185 Ų185149.3 Ų149.386%0.86478%0.783SS**  162.6112.8108.3-177.8171.4-164.800111.7
119R30.8Very low32.1Very low199 Ų199145.5 Ų145.575%0.75178%0.778SS**  -176.8148.6118.1-159.4156.5-146.1-128.8-6.7111Y122R119-Y122 PolarHBondContact NH2-OH 2.99Å
120S28.6Very low32.7Very low103 Ų103146.6 Ų146.672%0.7278%0.782SS**  trans-86165.2176.4-161.80000112.7
121S30.6Very low32.7Very low111 Ų111147.6 Ų147.678%0.77678%0.782SS**  trans-55.6152.2176.1-45.20000113.7
122Y27.7Very low32.9Very low170 Ų170149 Ų14967%0.66779%0.79SS**  trans-111.9138.8157.1-83.8-89.7000110R119R119-Y122 PolarHBondContact NH2-OH 2.99Å
123P45.2Very low32.9Very low113 Ų113146.2 Ų146.273%0.73479%0.787SS**  trans-89.7156.3177.536.1-34.3000112
124Y26.8Very low32.6Very low231 Ų231145.9 Ų145.991%0.90678%0.78SS**  trans-129.8150.7149.1-101.8-78.8000108.7
125G39.4Very low32.5Very low64 Ų64143.6 Ų143.666%0.6678%0.775SS**  trans-155.4168.9166.700000108.7
126R32.7Very low32.6Very low223 Ų223145.5 Ų145.584%0.84277%0.77SS**  trans-142.6141.8160.2-99.3-152-172.6-106.29111.9
127E31.7Very low32.9Very low126 Ų126144 Ų14459%0.58977%0.771SS**  trans-63.4157.3169.860.7-66.9149.400115.3
128S28.7Very low32.8Very low127 Ų127141.8 Ų141.889%0.88877%0.767SS**  -166.1151.4129.2-83.60000111.9
129N32.6Very low32.9Very low136 Ų136136.5 Ų136.573%0.72776%0.762SS**  trans-145.9144.4178.617178.2000109.6
130P44.5Very low32.9Very low114 Ų114135.2 Ų135.274%0.7477%0.765SS**  trans-137117.4154.633.6-16.6000115.6
131H31.7Very low33.2Very low172 Ų172138 Ų13880%0.79677%0.771SS**  49.1147.5129.7-73.491.1000125
132C33.2Very low33.1Very low111 Ų111136.4 Ų136.475%0.7577%0.765SS**  trans-102.4167.9-177.1-39.60000113.8
133H30.1Very low33.2Very low166 Ų166137.5 Ų137.577%0.76978%0.778SS**  trans-143131.5156.3-71.2-64.3000107.9
134Q31.3Very low32.4Very low172 Ų172136 Ų13680%0.80478%0.783SS**  77.6141.865.2-74.4179.1-67.800113.5
135A32.5Very low32.7Very low87 Ų87130.6 Ų130.672%0.71978%0.779SS**  cis-173.3-177.9-1.500000108.8
136V33.5Very low32.9Very low121 Ų121133 Ų13373%0.73378%0.783SS**  cis-168.2145.60.31060000111.2
137L36.6Very low32.6Very low171 Ų171127.7 Ų127.790%0.89578%0.78SS**  trans46.3161.4152.9-52.9170.1000122.7
138G32.7Very low32.6Very low75 Ų75126.6 Ų126.677%0.77379%0.792SS**  cis159.7170-8.300000115.1
139G30.8Very low32.8Very low75 Ų75125.3 Ų125.377%0.77379%0.79SS**  trans99.4163.917100000116.5
140E30.6Very low32.7Very low172 Ų172124.5 Ų124.580%0.80480%0.795SS**  cis-173.3164.9-19.3-110.5-65.2166.400107.4
141L34.5Very low32.7Very low161 Ų161125 Ų12584%0.84380%0.798SS**  trans64.6165.2178-45.4177000117.8
142A28.2Very low32.7Very low78 Ų78122.5 Ų122.565%0.64580%0.795SS**  cis-172.3161.6-46.500000109.8
143M29.7Very low32.8Very low193 Ų193126.6 Ų126.695%0.95180%0.8SS**  trans70.2145.9165.9-56.5-68.1-81.200119.3
144G29.5Very low33.3Very low82 Ų82124.6 Ų124.685%0.84580%0.802SS**  trans122.583.9157.500000117.6
145S32.6Very low33.4Very low116 Ų116121.3 Ų121.381%0.81180%0.804SS**  trans-132.9141.7163.2176.50000110
146P42.4Very low33.3Very low114 Ų114120.7 Ų120.774%0.7481%0.806SS**  trans-141.4148.6142.536.1-21.8000115.3
147S26.6Very low33.1Very low113 Ų113122.1 Ų122.179%0.7981%0.805SS**  trans37.2126.5149.6-560000120.7
148A32.8Very low32.8Very low102 Ų102123.4 Ų123.484%0.84380%0.799SS**  cis70.2110.433.100000116
149A32Very low32.6Very low101 Ų101128.9 Ų128.984%0.83580%0.798SS**  trans-154.4133.8164.900000110.5
150S31.5Very low32.4Very low118 Ų118131.9 Ų131.983%0.82579%0.791SS**  trans-143.6145.8-177.7-57.10000111.8
151P43Very low32.2Very low124 Ų124131.5 Ų131.581%0.80579%0.789SS**  trans-105.991.6171.935.5-28.2000114.2
152T32.2Very low32Very low120 Ų120134.8 Ų134.874%0.73679%0.792SS**  trans38.4137.1135.552.20000124.7
153K36.2Very low32.1Very low197 Ų197134.4 Ų134.486%0.85780%0.796SS**  trans94.5144.3153.7-67.1166.9-178.9178.40118.5
154P41.1Very low32.1Very low125 Ų125130.1 Ų130.181%0.81279%0.785SS**  cis-133.2-179.1-36.237.5-19.8000114.3
155A32.1Very low32.4Very low103 Ų103133.7 Ų133.785%0.85179%0.785SS**  trans-64.3167.8-175.500000115.6
156G29.9Very low32.7Very low73 Ų73133.7 Ų133.775%0.75378%0.782SS**  cis-168.2-159.94.700000110
157Q29.8Very low32.2Very low152 Ų152138.7 Ų138.771%0.7179%0.786SS**  cis-158.4163.46.4-103.1-68.719.200109.5
158Y30.1Very low32.6Very low198 Ų198144.6 Ų144.678%0.77679%0.791SS**  trans54.984.3165.1-64.7-66.5000123
159Y28.8Very low32.6Very low190 Ų190150.4 Ų150.475%0.74579%0.791SS**  44.5103.9111-156.8-105.5000122.3
160Q26.1Very low32.4Very low137 Ų137149.9 Ų149.964%0.6479%0.787SS**  -171.3156.2114.8-106.5-62.27.400112.4
161H28.1Very low32.2Very low165 Ų165152.4 Ų152.476%0.76479%0.79SS**  trans-127.9122.8178.2-73.4-87.3000112.7
162Y30.3Very low31.5Very low229 Ų229154.8 Ų154.890%0.89879%0.79SS**  trans-146.1139.6143.7-85.5-81.5000107.9
163G30.3Very low31.4Very low71 Ų71156 Ų15673%0.73279%0.789SS**  cis112.277.30.900000112.4
164S28Very low30.9Very low103 Ų103154.2 Ų154.272%0.7279%0.789SS**  trans-139.8107.7176.1-173.40000112
165N36.6Very low30.3Very low156 Ų156151.8 Ų151.883%0.83478%0.78SS**  trans172.789139.3-96.3-48.9000113
166P38.6Very low30.5Very low116 Ų116155.3 Ų155.375%0.75378%0.781SS**  trans-98.8114.7152.833-23.8000109.2
167R31.3Very low30.3Very low220 Ų220160.5 Ų160.583%0.8379%0.785SS**  71.8122.668.3-172.7-179.2-71.9-179.5-1.9113.9
168R35.2Very low30.7Very low236 Ų236159.3 Ų159.389%0.89179%0.788SS**  trans-32141168.6-74173.4161.9-101.85.6116.1
169R32.8Very low30.7Very low225 Ų225158.2 Ų158.285%0.84979%0.79SS**  trans-172.2166.4142.6-99.9178.4-105.999.5-7.3105.7
170A27.9Very low30.9Very low89 Ų89155 Ų15574%0.73679%0.789SS**  cis-172.8160.3-30.500000105.1
171L28.8Very low31.5Very low172 Ų172158 Ų15890%0.90180%0.801SS**  trans-80.1154.8-178.6-66.3174000112.5
172H26.8Very low31.9Very low174 Ų174159.9 Ų159.981%0.80681%0.807SS**  trans-131.4157.5170.5-170.149000108.9
173M30Very low32.3Very low145 Ų145155.5 Ų155.571%0.71480%0.803SS**  trans-121.1133.2-173-66.8-85.991.800110.1
174D27.1Very low32.7Very low160 Ų160163.5 Ų163.586%0.85681%0.811SS**  trans166.1160.8156.9-97.1-11.8000107.9
175A28.2Very low33.2Very low74 Ų74167.5 Ų167.561%0.61282%0.816SS**  cis-157.7175.1-22.100000107.9
176M35.1Very low33.6Very low177 Ų177166.2 Ų166.287%0.87281%0.813SS**  trans-73.8134.5-177.750.4-80.6152.300114.6
177E26Very low33.9Very low182 Ų182166 Ų16685%0.8581%0.811SS**  trans-154.7163.5144.8-136.2-170.7158.600112.8
178V38.3Very low34.3Very low126 Ų126161.9 Ų161.976%0.76481%0.814SS**  trans-118.7133.8-174.5173.60000110.1
179H31.2Very low34.6Very low176 Ų176154 Ų15482%0.81581%0.805SS**  trans-146162.6163.242.1-119.4000113.7
180T33Very low35Very low121 Ų121151.7 Ų151.774%0.74281%0.809SS**  trans-113.7156.3-146.351.10000116.1
181K38.5Very low35.7Very low202 Ų202153.3 Ų153.388%0.87881%0.812SS**  trans-29.2126.6169.2-57.3168.8-178.3174.40114.3
182K36.2Very low35.8Very low204 Ų204150 Ų15089%0.88780%0.803SS**  trans-132.5114.8154.5-74.8-172.9178.1171.50111.5
183V38.7Very low36.3Very low136 Ų136146.8 Ų146.882%0.82480%0.8SS**  trans-75.4141177171.60000110.4
184R37.8Very low36.3Very low240 Ų240145.9 Ų145.991%0.90680%0.802SS**  trans-149.7105158.2-132.8175-173.592.3-2.1114.5
185K39.9Very low36.5Very low187 Ų187147.9 Ų147.981%0.81380%0.799SS**  trans41.4106145.7-166.78078.3170.90118.3
186V43.7Very low36.5Very low129 Ų129149 Ų14978%0.78281%0.809SS**PPolyproline II helixtrans-81.9144.1159.3-1740000109.8
187P45.7Very low36.4Very low110 Ų110145 Ų14571%0.71480%0.796SS**PPolyproline II helixtrans-68.4147.8171.5-18.832.9000112.9
188P40.4Very low36.7Very low135 Ų135142 Ų14288%0.87780%0.796SS**PPolyproline II helixtrans-86.9129.9-179.133.3-32.7000112.7
189G40.4Very low36.4Very low69 Ų69140.5 Ų140.571%0.71180%0.796SS**  trans168.6126.4169.100000113.6
190L40.5Very low36.3Very low178 Ų178137.5 Ų137.593%0.93280%0.795SS**SBendtrans71.1154.4175.3-63.9163.1000115.5
191P43.4Very low36.6Very low122 Ų122137.7 Ų137.779%0.79280%0.796SS**  trans-91.6157.1-137.133.3-37000116.2
192S30.8Very low36.4Very low102 Ų102132.6 Ų132.671%0.71379%0.792SS**  trans-79.8164.717255.60000113.5
193S38.2Very low36.4Very low107 Ų107129.5 Ų129.575%0.74879%0.785SS**  trans85.4144.7151.2-65.70000119.2
194V29.8Very low35.9Very low126 Ų126133.6 Ų133.676%0.76479%0.787SS**  cis-168.9159.3-31.6108.90000108.5
195Y30.5Very low35.6Very low202 Ų202129 Ų12979%0.79278%0.781SS**  trans67.2125.1164.9-122.9-124.4000119.6P197Y195-P197 HydrophobicContact CD1-CG 4.31Å; Y195-P197 HydrophobicContact CE1-CB 4.08Å; Y195-P197 HydrophobicContact CE1-CG 3.95Å
196A28.1Very low36.1Very low98 Ų98130.7 Ų130.781%0.8178%0.782SS**  -145.613012800000107.7
197P34.1Very low35.5Very low93 Ų93131.9 Ų131.960%0.60478%0.784SS**  trans-88.1167-18036.2-34.6000111.9Y195Y195-P197 HydrophobicContact CD1-CG 4.31Å; Y195-P197 HydrophobicContact CE1-CB 4.08Å; Y195-P197 HydrophobicContact CE1-CG 3.95Å
198S32Very low35.2Very low120 Ų120132.5 Ų132.584%0.83979%0.791SS**  trans-82.9134.5165.5-570000111.1
199A31.3Very low35.2Very low94 Ų94131.8 Ų131.878%0.77779%0.786SS**  158.8141.211700000113.9
200S29.4Very low35.1Very low112 Ų112131.9 Ų131.978%0.78379%0.787SS**  trans68.5144147.3-1490000121.8
201T39.9Very low34.8Very low125 Ų125134 Ų13477%0.76779%0.785SS**  trans45.3108.9150.4-1640000121.3
202A34.5Very low34.5Very low96 Ų96134 Ų13479%0.79378%0.784SS**  trans-176.1146.9130.900000111.4
203D34.6Very low34.5Very low138 Ų138134.7 Ų134.774%0.73879%0.789SS**  trans-93.3166.5176.4-64.2-91.8000113.6
204Y29.7Very low34.2Very low223 Ų223135.1 Ų135.188%0.87579%0.792SS**  trans65.8147.6173.8-59.3-85.7000115.5
205N31Very low34.5Very low144 Ų144138.4 Ų138.477%0.7780%0.796SS**  cis-147.8-173.811.8-160.2-9.7000110
206R49.2Very low34.7Very low222 Ų222134.2 Ų134.284%0.83879%0.794SS**  trans-57.6137.3166.2-68.6178.3171.3-174.8-2.6111.7
207D32.6Very low35.3Very low154 Ų154136.1 Ų136.182%0.82480%0.797SS**  -172.1155112.3-94-29.1000111.6P209D207-P209 WeakPolarHBondContact O-CD 3.42Å
208S38.4Very low35.4Very low123 Ų123137.7 Ų137.786%0.8681%0.811SS**  trans-92.4119-170.3-64.20000113.3G210S208-G210 PolarHBondContact O-N 3.15Å
209P40.3Very low35.5Very low119 Ų119136.9 Ų136.977%0.77381%0.811SS**  trans-79.5108171.631.1-32.3000111D207D207-P209 WeakPolarHBondContact O-CD 3.42Å
210G38.9Very low35.4Very low72 Ų72136 Ų13674%0.74281%0.812SS**  trans-77.5151174.200000113.3S208S208-G210 PolarHBondContact O-N 3.15Å
211Y34.5Very low35.8Very low223 Ų223140.4 Ų140.488%0.87582%0.817SS**  trans-123151.7167.4-96.3-99.3000110.6
212P36.9Very low36.3Very low121 Ų121139.9 Ų139.979%0.78682%0.816SS**PPolyproline II helixtrans-86.1148.3-161.533.5-35.5000113.9
213S29.7Very low36Very low117 Ų117140.5 Ų140.582%0.81881%0.814SS**PPolyproline II helixtrans-102.6124.6170.2-178.30000111
214S32.8Very low36Very low115 Ų115138.5 Ų138.580%0.80481%0.811SS**PPolyproline II helixtrans-89.4116.3-178.853.50000112.1
215K36.6Very low36.1Very low196 Ų196136.9 Ų136.985%0.85281%0.809SS**PPolyproline II helixtrans-83.7145.1178.4-65.8-178.8176.9179.30113.3
216P33.8Very low36.4Very low114 Ų114139.6 Ų139.674%0.7481%0.814SS**PPolyproline II helixtrans-80.9161.314534.3-30.8000111.1
217P41.4Very low36.1Very low137 Ų137136.7 Ų136.789%0.8981%0.812SS**PPolyproline II helixtrans-82.9156.1-163.832.5-36.7000115.2
218S34.9Very low36.5Very low126 Ų126134.9 Ų134.988%0.88181%0.809SS**  trans-125.8151.2162.1-178.50000109
219A34.3Very low36.1Very low103 Ų103136.3 Ų136.385%0.85181%0.807SS**  trans-128.8134.4-178.700000110.6
220G31Very low35.7Very low76 Ų76133.5 Ų133.578%0.78480%0.799SS**  trans140.7110.6178.700000113.2
221F38Very low35.4Very low205 Ų205138.9 Ų138.990%0.89981%0.805SS**  trans-90.7177.9177.2-71.2-86.6000111.3
222P48.4Very low35.6Very low113 Ų113137.1 Ų137.173%0.73480%0.804SS**  cis-139.6-165.8-42.638.6-21.1000113.5
223S28.8Very low35.4Very low109 Ų109137.1 Ų137.176%0.76281%0.807SS**  trans85.4142.3156.2-154.20000118.1
224S35.2Very low35.5Very low96 Ų96135.4 Ų135.467%0.67181%0.808SS**  cis-160.8150.9-22.6-89.90000111.8
225F32.2Very low35.6Very low190 Ų190136.7 Ų136.783%0.83381%0.806SS**  trans12.1116.9157.3-73.7-96.6000121
226F37Very low35.8Very low200 Ų200132.7 Ų132.788%0.87780%0.8SS**  -164.6168.293.5-119.9-94.8000111.5
227M41.9Very low36Very low162 Ų162137.8 Ų137.880%0.79880%0.804SS**  trans-122168.6179-78.9-158.581.600109.4
228P42Very low35.5Very low116 Ų116136.9 Ų136.975%0.75380%0.801SS**  cis-148.2176.828.445.2-25.6000120
229D29.8Very low35.2Very low153 Ų153136.7 Ų136.782%0.81880%0.8SS**  trans68.1157.6150.9-150.29.4000120.5
230G31Very low34.9Very low60 Ų60137.1 Ų137.162%0.61980%0.796SS**  trans120.597.1172.400000115.7
231H33.8Very low35Very low185 Ų185138.4 Ų138.486%0.85679%0.794SS**  trans-82.6121.3172-67.6-73.7000113
232H39Very low34.8Very low185 Ų185134.1 Ų134.186%0.85679%0.789SS**  trans-156.8143.8144.722.1-78.9000112.6
233S32.3Very low33.9Very low122 Ų122134.8 Ų134.885%0.85380%0.796SS**PPolyproline II helixtrans-89.3126.8178.751.20000111.7
234G32.5Very low34.1Very low80 Ų80138.2 Ų138.283%0.82580%0.802SS**PPolyproline II helixtrans-96.1123.9168.400000111.8
235D33.7Very low34Very low143 Ų143138 Ų13877%0.76580%0.801SS**PPolyproline II helixtrans-88.9129.6170.4-167.333.3000108.9W237D235-W237 PolarHBondContact O-N 2.96Å
236P39.9Very low33.8Very low112 Ų112135.9 Ų135.973%0.72779%0.794SS**SBendtrans-84.930.7-156.833.8-36.7000115.4
237W39.3Very low33.5Very low220 Ų220135 Ų13583%0.83379%0.792SS**  trans-129.672.9-173.1-72.586.2000114.2D235D235-W237 PolarHBondContact O-N 2.96Å
238S30.7Very low32.8Very low119 Ų119130.3 Ų130.383%0.83279%0.785SS**SBendtrans-175.6107.1136.7-83.50000113.5
239S27.7Very low32.2Very low121 Ų121135.1 Ų135.185%0.84679%0.79SS**  trans32.5119.1148.4-54.50000122.3
240S29.3Very low32.2Very low112 Ų112135.9 Ų135.978%0.78379%0.788SS**  trans-32.8149.6143.2-56.20000114.7
241S33.1Very low32.1Very low104 Ų104138.5 Ų138.573%0.72780%0.797SS**  cis-168.2165.93.739.90000112.5
242S33.4Very low32Very low114 Ų114134.6 Ų134.680%0.79779%0.791SS**  trans75.984.1155.5-53.70000118.5
243S30.1Very low31.7Very low127 Ų127134.2 Ų134.289%0.88879%0.791SS**  trans-82.3140.6139.853.50000109.3
244M32.4Very low32.1Very low181 Ų181136.8 Ų136.889%0.89280%0.795SS**  trans-132.8131.9175.8-175.8170.370.700111.5
245S33.1Very low32.1Very low92 Ų92136.8 Ų136.864%0.64380%0.795SS**  trans106.2171.9158.283.30000118.3
246Q27.8Very low32.1Very low146 Ų146134.2 Ų134.268%0.68280%0.802SS**  trans75.8126.8-178.4-48.6-47.9-61.300115
247Q30.9Very low31.7Very low181 Ų181132.1 Ų132.185%0.84680%0.801SS**  cis-142.4168.3-11.7-70-149-30.400111
248G25.9Very low31.3Very low63 Ų63129.3 Ų129.365%0.64980%0.802SS**  trans-164113.5163.400000113.2
249Y30.3Very low31.5Very low218 Ų218128.3 Ų128.386%0.85580%0.795SS**  trans71.397.1164.5-62-84.5000121.5
250H29.7Very low31.6Very low168 Ų168127.5 Ų127.578%0.77880%0.796SS**  37.3116.9121.9-64-83.4000122.2
251S29.5Very low31.7Very low116 Ų116131 Ų13181%0.81180%0.8SS**  160.7138.4125.3-73.30000109.7
252S32.3Very low31.4Very low102 Ų102129 Ų12971%0.71379%0.794SS**  cis113.114320.9-78.60000112.1
253M32.8Very low31.3Very low177 Ų177128.1 Ų128.187%0.87280%0.795SS**  trans75116.9179.9-44.4-175-163.200114.2
254L40Very low31.2Very low176 Ų176126.4 Ų126.492%0.92179%0.788SS**  cis81.3128.728.5-59.8172.6000116.6
255G31.5Very low30.9Very low81 Ų81126.3 Ų126.384%0.83579%0.786SS**  trans89.3124.9170.100000114.8
256G34.7Very low30.9Very low88 Ų88127.3 Ų127.391%0.90779%0.793SS**  cis101.7118.7-6.600000115
257G31.5Very low31.2Very low68 Ų68125.5 Ų125.570%0.70180%0.796SS**  trans161.6137.3167.200000116.9
258N30.7Very low31.2Very low162 Ų162122 Ų12287%0.86679%0.792SS**  trans69.9154.4154.6-6315.4000120.6
259S33.9Very low31.5Very low98 Ų98130.1 Ų130.169%0.68580%0.804SS**  cis-175.2138.4-31.4-96.80000111.2
260A31.3Very low31.6Very low104 Ų104125.8 Ų125.886%0.8680%0.804SS**  trans58.5169.7149.600000120.3
261H31.6Very low31.6Very low186 Ų186121.4 Ų121.486%0.86181%0.805SS**  cis-167.3148-43.4175.771.9000110.4
262G27.1Very low31.8Very low60 Ų60123 Ų12362%0.61980%0.803SS**  trans95.8155.3160.400000116.5
263A30.3Very low32.1Very low97 Ų97126.4 Ų126.480%0.80281%0.807SS**  cis-164.5171.5-1200000111.5
264A27.7Very low32.3Very low91 Ų91123.2 Ų123.275%0.75280%0.799SS**  trans86.8121.2150.800000122
265Q27Very low32Very low179 Ų179122.8 Ų122.884%0.83679%0.792SS**  trans77.1106.9137-58.4-77.92.200122.3
266S31.5Very low32.3Very low113 Ų113124.9 Ų124.979%0.7979%0.785SS**  trans75.2136.9133.3-154.80000123.4
267S34.1Very low32.5Very low107 Ų107131.3 Ų131.375%0.74878%0.781SS**  trans93.1143.9149.9-146.90000121.8
268S32.8Very low32.8Very low109 Ų109135.1 Ų135.176%0.76279%0.785SS**  trans61.378.6158-64.40000122.3
269Y30.4Very low32.5Very low233 Ų233132.9 Ų132.991%0.91478%0.782SS**  trans60.2147.7141.9-116.9-92.6000121.7
270C33.4Very low32.3Very low126 Ų126138.5 Ų138.585%0.85179%0.79SS**  trans-128.6155.5-171.3-48.40000112.3
271G30.1Very low32.6Very low77 Ų77139.3 Ų139.379%0.79479%0.786SS**  trans145.9106.5172.800000111.6
272I32.6Very low32.3Very low150 Ų150134.1 Ų134.177%0.76977%0.771SS**  trans-97.5128.1-169.6-49.1176.1000110.4
273H39.1Very low32.5Very low172 Ų172139.2 Ų139.280%0.79678%0.778SS**  trans171112.5131.8-95.2-67.3000112.2
274P37.9Very low32.6Very low110 Ų110140.2 Ų140.271%0.71478%0.779SS**  trans-97130.2149.634.1-26.5000109.1
275H33.4Very low32.7Very low168 Ų168141.5 Ų141.578%0.77878%0.783SS**  85.9128.957.7-88.4-57.6000116
276D36.7Very low32.7Very low125 Ų125138.3 Ų138.367%0.66878%0.78SS**  trans-29.2152.3160.8-43-101.5000116.6
277R38.8Very low33.4Very low222 Ų222136.6 Ų136.684%0.83877%0.773SS**  171.8155.9101.1-97-179.7-167.5-101.3-7.1117
278L38.7Very low33.3Very low148 Ų148138.5 Ų138.578%0.77578%0.775SS**  trans90.5138.2138-84.3160.3000123.6
279S24.5Very low33.5Very low116 Ų116140.5 Ų140.581%0.81178%0.775SS**  trans87.2142.2150.6-64.50000121.1
280Y28.6Very low33.5Very low215 Ų215134.3 Ų134.384%0.84377%0.766SS**  trans-125.8169-167.3-124.2-82.1000110
281P37.9Very low33.3Very low121 Ų121133.2 Ų133.279%0.78676%0.76SS**  -141.1141.8115.436.1-23.4000116.9
282S26.2Very low33.3Very low77 Ų77135.1 Ų135.154%0.53876%0.761SS.*  trans-44.3168.3157.1-70.50000116.8
283H30.4Very low33.8Very low168 Ų168135.6 Ų135.678%0.77876%0.764SS**  cis-168.6169.7-6.7-96.9-29.9000109.8
284S32.1Very low33.8Very low118 Ų118132.6 Ų132.683%0.82576%0.76SS**  trans69.5156.9155.7-64.30000118.4
285S30.4Very low34.1Very low117 Ų117133.3 Ų133.382%0.81876%0.764SS**  cis-150.6177.6-8.240.60000107.8
286S26.7Very low34Very low112 Ų112134 Ų13478%0.78377%0.77SS**  cis-153.5169.423.3-169.60000111.9
287A46.2Very low33.7Very low77 Ų77132.7 Ų132.764%0.63677%0.771SS**  trans-88.6162.9162.500000111.5
288D31.9Very low33.4Very low148 Ų148126.5 Ų126.579%0.79176%0.762SS**  171.1164.2121.4-94-29.6000115.8
289I37.4Very low33Very low151 Ų151128.8 Ų128.877%0.77477%0.766SS**  trans58.4108.4157.659.5164.2000124.2
290S30.1Very low33.4Very low102 Ų102132.5 Ų132.571%0.71377%0.77SS**  53.4124.2129.270.30000123.5
291S29.7Very low33.7Very low103 Ų103133.1 Ų133.172%0.7277%0.771SS**  151.9101.1109.2-70.50000116.1
292S30.7Very low33.4Very low117 Ų117130.5 Ų130.582%0.81877%0.766SS**  trans65.7150.8161.182.30000117.6
293L41.7Very low33.7Very low161 Ų161130.3 Ų130.384%0.84378%0.776SS**  cis-126.8170.73.4-83174.9000110.8
294P40.7Very low33.9Very low108 Ų108126.4 Ų126.470%0.70178%0.781SS**PPolyproline II helixtrans-103.7155.9-154.238.6-36.4000117
295P43.2Very low33.8Very low125 Ų125125 Ų12581%0.81279%0.786SS**PPolyproline II helixtrans-79.3150.5148.234.9-31.7000110.8
296M31.2Very low33.9Very low184 Ų184123.7 Ų123.791%0.90679%0.791SS**PPolyproline II helixtrans-78.4141.7-174.8-70.1172.65900113.9S298M296-S298 PolarHBondContact O-N 3.01Å
297S30.5Very low34.1Very low96 Ų96122 Ų12267%0.67179%0.791SS**PPolyproline II helixtrans-58.2124.6162.7-161.50000108.9
298S31.9Very low33.4Very low93 Ų93122.5 Ų122.565%0.6580%0.795SS**  59.4109.262.8-171.60000113.7M296M296-S298 PolarHBondContact O-N 3.01Å
299F30.6Very low33.4Very low195 Ų195121.4 Ų121.486%0.85579%0.789SS**  trans-15590.5151.3-86.3-60.7000110.5
300H34.1Very low33Very low195 Ų195121 Ų12190%0.90378%0.784SS**  trans-100.6113.7150.2-76.8-75.7000107.4
301R33.4Very low33.1Very low227 Ų227127.7 Ų127.786%0.85780%0.795SS**  trans-101.2100.6-178.8-161.5-176.5-156.7-71.42.3110.7
302G32.7Very low33.1Very low66 Ų66128.3 Ų128.368%0.6880%0.799SS**  trans-61.4156.1162.400000111.6
303G33.2Very low32.9Very low74 Ų74129.8 Ų129.876%0.76380%0.804SS**  trans-110.9165.2-178.100000114
304G33.4Very low32.3Very low86 Ų86126.1 Ų126.189%0.88780%0.796SS**  trans90.2146.5164.200000116.7
305G31.1Very low31.8Very low89 Ų89126.7 Ų126.792%0.91880%0.803SS**  trans100.6109.4172.200000114.2
306G31.9Very low31.2Very low89 Ų89125.7 Ų125.792%0.91880%0.797SS**  trans-109.5174.6-17900000114.3
307G29.7Very low31.2Very low77 Ų77123.4 Ų123.479%0.79479%0.794SS**  trans164.8132.4172.800000113.5
308A31.5Very low31.2Very low87 Ų87123 Ų12372%0.71980%0.797SS**  trans6.3146.9153.300000121.1
309N32.3Very low31.8Very low125 Ų125124.4 Ų124.467%0.66880%0.804SS**  cis-166.8158.60.3-112.3-8.5000113.6
310H30.3Very low31.9Very low143 Ų143121.8 Ų121.866%0.66280%0.804SS**  trans33.1121.9155.1-50-59.2000123.1
311Y30.8Very low32Very low242 Ų242120.6 Ų120.695%0.94980%0.804SS**  -144168.4115.1-43.8-74.2000108.9
312S30.5Very low31.9Very low115 Ų115112.3 Ų112.380%0.80479%0.79SS**  trans-127.4143.8-163.3-51.20000115.7
313T25.2Very low32.2Very low149 Ų149116 Ų11691%0.91480%0.799SS**  trans-175.4162.6136.4-171.50000110.4
314A30.5Very low32Very low83 Ų83119.5 Ų119.569%0.68680%0.8SS**  trans-152156.5-160.300000118
315S29.3Very low32Very low120 Ų120120.4 Ų120.484%0.83979%0.793SS**  trans69.7160.8154.6-57.10000118
316C30.3Very low32.1Very low104 Ų104121.5 Ų121.570%0.70378%0.782SS**  cis-156.1150.522.755.20000115.5
317T32.8Very low32.1Very low136 Ų136125.8 Ų125.883%0.83478%0.78SS**  trans47.8155.2138.154.50000123.3
318A30.3Very low32.2Very low89 Ų89126.4 Ų126.474%0.73678%0.777SS**  cis-156.6165.54.200000112.9
319P43.1Very low32.3Very low122 Ų122129.7 Ų129.779%0.79278%0.783SS**  trans-113.1165.8172.840.8-32.1000115.3
320T34.2Very low32.1Very low140 Ų140134.3 Ų134.386%0.85979%0.791SS**  trans-147.2162.1163.462.10000108.7
321N34.7Very low32.1Very low169 Ų169131.4 Ų131.490%0.90479%0.792SS**  cis-146174.93.7-151.21.1000110.2
322G32.2Very low32.3Very low54 Ų54127.7 Ų127.756%0.55778%0.783SS**  trans-132.7-150.7-170.900000118
323T38.9Very low32.5Very low143 Ų143127.6 Ų127.688%0.87778%0.783SS**  trans84.9145.2-165.277.30000115.3
324D29.2Very low32.7Very low147 Ų147124.2 Ų124.279%0.78678%0.778SS**  cis-142.2-178.45.1-139.8-44.6000113.1
325S33.7Very low32.7Very low105 Ų105125.4 Ų125.473%0.73479%0.787SS**  trans-119.8-178-170.6-64.20000115.4
326V32.8Very low32.9Very low113 Ų113124.4 Ų124.469%0.68579%0.786SS**  trans128.9118.6141.9173.70000117.9
327M31.9Very low33Very low179 Ų179124.3 Ų124.388%0.88279%0.787SS**  trans58161154.2-74.5-170.5-77.700121
328A30.6Very low33.3Very low89 Ų89123.5 Ų123.574%0.73679%0.787SS**  cis-160.8153.1-25.100000113.8
329N33.6Very low34.1Very low156 Ų156124 Ų12483%0.83479%0.785SS**  trans-31.5133.7163.6-179.613.7000119.6
330R29.9Very low33.8Very low222 Ų222125.8 Ų125.884%0.83878%0.783SS**  -169.4157.2127.9-159.5157.5-179.7150.4-0.3112.8
331A30Very low34.7Very low83 Ų83125.3 Ų125.369%0.68678%0.78SS**  trans-137165.6-178.500000113.3
332Q34.3Very low35.9Very low163 Ų163120 Ų12076%0.76277%0.765SS**  trans-179.3115.8153.7-100.9165.7-82.100109.2
333S34.3Very low37.2Very low113 Ų113122 Ų12279%0.7976%0.763SS**  73.8128.784.673.20000114.9
334G29.6Very low38Very low79 Ų79118.6 Ų118.681%0.81475%0.749SS**  cis-154.5-161-1.200000109.8
335A30.3Very low39.2Very low107 Ų107117.3 Ų117.388%0.88474%0.742SS**  cis-152.4-159.65.700000111.5
336A34.2Very low40.6Very low99 Ų99114.9 Ų114.982%0.81873%0.734SS**  trans-58.6168.1-169.400000116.6
337S33Very low41.9Very low103 Ų103117.2 Ų117.272%0.7274%0.735SS**  cis-160.9145.728.856.90000118.2
338S38.1Very low43Very low118 Ų118111.6 Ų111.683%0.82572%0.716SS**  trans55.5132.8144.958.10000123.7
339S46.6Very low44.2Very low101 Ų101112.5 Ų112.571%0.70671%0.708SS**  trans-85.4158.2-173.3-30.90000117.2
340Q38.6Very low45Very low158 Ų158108.7 Ų108.774%0.73870%0.698SS**  trans-156.2110.2140.9-173.8176.74.600112D343Q340-D343 WeakPolarHBondContact CG-OD2 3.46Å; Q340-D343 PolarHBondContact NE2-OD2 3.29Å
341T53.1Low46.2Very low130 Ų130103.2 Ų103.280%0.79869%0.694SS**  trans-156.519170.2-270000114.5
342G59Low47.5Very low58 Ų58104.6 Ų104.660%0.59869%0.689SS**SBendtrans-79.5-31.5179.200000114.2A344 L345G342-A344 VanDerWaalsContact C-N 3.31Å; G342-A344 PolarHBondContact O-N 3.49Å; G342-L345 PolarHBondContact O-N 3.42Å
343D58.3Low48.1Very low95 Ų95106.4 Ų106.451%0.50869%0.69SS.*Hα-helixtrans-71.9-20.6-161.8-47.5-58.8000114.6Q340Q340-D343 WeakPolarHBondContact CG-OD2 3.46Å; Q340-D343 PolarHBondContact NE2-OD2 3.29Å
344A57.3Low48.4Very low72 Ų72106.2 Ų106.260%0.59569%0.689SS**Hα-helixtrans-73.5-38.1-178.800000112.7G342 K347 A348G342-A344 VanDerWaalsContact C-N 3.31Å; G342-A344 PolarHBondContact O-N 3.49Å; A344-K347 PolarHBondContact O-N 2.91Å; A344-A348 PolarHBondContact O-N 2.91Å
345L54.3Low49.2Very low121 Ų121108.3 Ų108.363%0.63469%0.688SS**Hα-helixtrans-75.6-38.1-172.3-140.6165.7000111.3G342 K347 A348 L349G342-L345 PolarHBondContact O-N 3.42Å; L345-K347 PolarHBondContact O-N 3.48Å; L345-A348 PolarHBondContact O-N 3.16Å; L345-L349 HydrophobicContact CD2-CD1 3.77Å; L345-L349 HydrophobicContact CD2-CG 4.2Å; L345-L349 PolarHBondContact O-N 3.23Å
346G63Low49.5Very low54 Ų54109.8 Ų109.856%0.55768%0.681SS**Hα-helixtrans-62.6-38.8173.500000113.3A350G346-A350 PolarHBondContact O-N 2.87Å
347K59.8Low49.8Very low162 Ų162113.3 Ų113.370%0.70468%0.68SS**Hα-helixtrans-69.5-39.4177-71.6-174.1178.5-173.70112.7A344 L345 L349 A350A344-K347 PolarHBondContact O-N 2.91Å; L345-K347 PolarHBondContact O-N 3.48Å; K347-L349 VanDerWaalsContact C-N 3.33Å; K347-L349 PolarHBondContact O-N 3.14Å; K347-A350 PolarHBondContact O-N 3.21Å
348A54.5Low50Low60 Ų60114.4 Ų114.450%0.49668%0.683SS.*Hα-helixtrans-64.1-34.8179.900000113.3A344 L345A344-A348 PolarHBondContact O-N 2.91Å; L345-A348 PolarHBondContact O-N 3.16Å
349L57.1Low49.7Very low109 Ų109116.2 Ų116.257%0.57168%0.683SS**Hα-helixtrans-78.7-25.2-179.5-67.1174.1000113.6L345 K347 S351 I352L345-L349 HydrophobicContact CD2-CD1 3.77Å; L345-L349 HydrophobicContact CD2-CG 4.2Å; L345-L349 PolarHBondContact O-N 3.23Å; K347-L349 VanDerWaalsContact C-N 3.33Å; K347-L349 PolarHBondContact O-N 3.14Å; L349-S351 VanDerWaalsContact C-N 3.32Å; L349-S351 PolarHBondContact O-N 3.45Å; L349-I352 HydrophobicContact CD2-CD1 4.14Å
350A49.7Very low49.3Very low75 Ų75118.2 Ų118.262%0.6269%0.686SS**Hα-helixtrans-67.2-31.3175.400000112.7G346 K347 I352G346-A350 PolarHBondContact O-N 2.87Å; K347-A350 PolarHBondContact O-N 3.21Å; A350-I352 PolarHBondContact O-N 2.99Å; A350-I352 VanDerWaalsContact O-N 3.14Å
351S54.6Low48.9Very low108 Ų108115.7 Ų115.776%0.75569%0.686SS**THydrogen-bonded Turntrans-73.72.6-177.9-58.70000115.4L349L349-S351 VanDerWaalsContact C-N 3.32Å; L349-S351 PolarHBondContact O-N 3.45Å
352I57.2Low47.9Very low111 Ų111119.3 Ų119.357%0.56969%0.691SS**THydrogen-bonded Turntrans-105.8-7.3-173.6-33.2-178.6000112.5L349 A350L349-I352 HydrophobicContact CD2-CD1 4.14Å; A350-I352 PolarHBondContact O-N 2.99Å; A350-I352 VanDerWaalsContact O-N 3.14Å
353Y47.2Very low47Very low202 Ų202121.9 Ų121.979%0.79270%0.699SS**SBendtrans-139.872.7-178.8-85.1-78.2000114.1
354S41Very low45.7Very low109 Ų109123.5 Ų123.576%0.76272%0.718SS**  trans65.1172.1153.9-48.60000118.2
355P45.4Very low44.4Very low122 Ų122127.4 Ų127.479%0.79273%0.729SS**  cis-109.7-167.9-35.939.4-26.8000110.6
356D38.3Very low44.3Very low139 Ų139126.3 Ų126.374%0.74373%0.729SS**  trans-62.7140.6166.6-64.4-85.8000112.9
357H38.9Very low42.9Very low172 Ų172129.3 Ų129.380%0.79674%0.742SS**  169.9121.1119.4-85.3-1.5000115.2
358T37.4Very low41.6Very low127 Ų127128 Ų12878%0.77975%0.747SS**  trans50.6122.9136.868.10000124.2
359N31.7Very low41.5Very low156 Ų156130.2 Ų130.283%0.83476%0.757SS**  trans87.8155.1136.1-137.9-14.2000121
360N38Very low40.3Very low142 Ų142132 Ų13276%0.75977%0.772SS**  trans-92.4149.3-167.1-69.9-56.9000114.3
361S31.9Very low39.4Very low105 Ų105131.6 Ų131.673%0.73478%0.775SS**  172.4128.6113.1-79.20000115.3
362F31.4Very low38.3Very low207 Ų207132 Ų13291%0.90878%0.778SS**  trans51.2155148.1-69.6-78.6000123.5
363S39.6Very low37.6Very low111 Ų111131.7 Ų131.778%0.77678%0.783SS**  trans-93.4156.9-157.6-40.60000116.3
364S31.3Very low38Very low129 Ų129127.4 Ų127.490%0.90278%0.78SS**  trans-160.7160.1141.2-84.50000112.5
365N29.6Very low37.5Very low155 Ų155128.1 Ų128.183%0.82979%0.785SS**  trans-115.2-174.3-178.6-143.913.2000108.2
366P53.7Low36.8Very low98 Ų98130 Ų13064%0.63679%0.787SS**  cis-134.9174.8-13.742.3-26.7000115.4
367S32.2Very low36.4Very low117 Ų117129.3 Ų129.382%0.81879%0.788SS**  169.1165129.7-76.80000114.9
368T33.8Very low35.9Very low133 Ų133125.8 Ų125.882%0.81679%0.789SS**  trans-105.3-174.1-16753.60000111.7
369P51.5Low35.4Very low107 Ų107123.7 Ų123.770%0.69579%0.785SS**  cis-155.7-174.519.349-27.7000121.3
370V31.6Very low35.1Very low147 Ų147121.6 Ų121.689%0.89178%0.782SS**  trans69.4141.1159.9-177.50000119.3
371G31.5Very low34.6Very low66 Ų66120.2 Ų120.268%0.6878%0.784SS**  trans-177.6-38.3166.500000122.6
372S31.7Very low34.5Very low118 Ų118119.9 Ų119.983%0.82579%0.787SS**  trans64.3155.8-179.4-62.30000119.5
373P42Very low34.6Very low103 Ų103115 Ų11567%0.66977%0.774SS**  trans-111.6-159.5178.846.8-37.6000111.3
374P55.9Low34.2Very low112 Ų112121.5 Ų121.573%0.72778%0.782SS**  cis-134.5-173-8.843.8-27.4000114.8
375S31Very low34.1Very low124 Ų124120.8 Ų120.887%0.86778%0.777SS**  trans-165.2160.5143.3-86.60000112.5
376L29.2Very low34.1Very low162 Ų162124.8 Ų124.885%0.84878%0.78SS**  trans-131.7138-171.7-78.4174.1000113.5
377T30.8Very low33Very low125 Ų125127.7 Ų127.777%0.76779%0.79SS**  trans68.1135.1140.9-54.60000121.3
378A28.3Very low33Very low97 Ų97125.7 Ų125.780%0.80279%0.788SS**  trans73.6153.4165.200000117.5
379A26.5Very low32.8Very low84 Ų84123.1 Ų123.169%0.69479%0.788SS**  cis-142.2145.18.700000115
380S26.3Very low32Very low111 Ų111127.7 Ų127.778%0.77680%0.8SS**  trans43.4126.9142.562.40000122.6
381S27.4Very low32.1Very low114 Ų114124.6 Ų124.680%0.79780%0.798SS**  -159.3129.8108.352.30000113.3
382A29.7Very low32.1Very low98 Ų98126 Ų12681%0.8180%0.803SS**  trans56.8160.3159.100000118.7
383V32.6Very low32.2Very low104 Ų104126.1 Ų126.163%0.6380%0.804SS**  cis-136.3140.9-0.8176.90000108.7
384W31.9Very low31.7Very low248 Ų248126.7 Ų126.794%0.93981%0.81SS**  trans37.9126.9164.8-52.9-37.3000122.3
385S29.8Very low31.2Very low113 Ų113127.2 Ų127.279%0.7981%0.814SS**  trans-95.2153.6179.2-39.50000114.4
386R29.6Very low31.1Very low239 Ų239129.3 Ų129.390%0.90282%0.815SS**  trans-146.8125.6134.3-115.7179.3-174.6-88.60.1111.2
387N30.1Very low31.6Very low160 Ų160132.1 Ų132.186%0.85682%0.816SS**  trans-70.3157.7167.3-70.32.5000110.1
388G31.1Very low31.9Very low74 Ų74135.3 Ų135.376%0.76382%0.823SS**  cis142.3160.8-500000113.2
389G31.3Very low32.8Very low80 Ų80134.9 Ų134.983%0.82582%0.819SS**  trans89.6137.6-179.400000113.3
390Q33.8Very low33.8Very low203 Ų203135.4 Ų135.495%0.94982%0.815SS**  cis-129161.3-7.7-69.7-171.6-9.900110.1
391G33.8Very low35.1Very low82 Ų82136.5 Ų136.585%0.84581%0.811SS**  trans-110.2145.5174.400000112.1
392A32.5Very low36.3Very low95 Ų95138.5 Ų138.579%0.78581%0.808SS**  trans-135.3133.3164.200000109.3
393S32Very low37.5Very low120 Ų120136.8 Ų136.884%0.83979%0.79SS**  trans3115.7167.953.20000119.9
394S31.3Very low38.7Very low115 Ų115136.4 Ų136.480%0.80478%0.784SS**  trans-67.5173.7154-340000112
395P46.4Very low40Very low124 Ų124129.5 Ų129.581%0.80576%0.762SS**  cis-128165.1-39.334.9-20.3000112.3
396N28.2Very low41.6Very low167 Ų167127.2 Ų127.289%0.89375%0.746SS**  trans-145.3160.6157.7-160.59.9000110.8
397Y40.2Very low43.7Very low222 Ų222123 Ų12387%0.87173%0.73SS**  trans-117.480.8-152.9-156.3-83.9000113.6
398E38.2Very low46Very low192 Ų192119.7 Ų119.790%0.89771%0.712SS**  trans-158.7164.1152.6-135.4-170.817900111.9
399A46.3Very low48.3Very low87 Ų87120.7 Ų120.772%0.71970%0.697SS**  trans-123.7120.2-169.100000113.8
400P48Very low50.6Low95 Ų95119.7 Ų119.762%0.61767%0.672SS**  trans-92.8110.4167.8-8.627.6000112.3H402 S403P400-H402 PolarHBondContact O-N 2.98Å; P400-H402 VanDerWaalsContact O-N 3.12Å; P400-S403 PolarHBondContact O-N 3.45Å
401L53.1Low52.9Low134 Ų134117.9 Ų117.970%0.70266%0.657SS**THydrogen-bonded Turntrans-58.2-22.9175.9-70.7172.2000114S403 L404 Q405L401-S403 PolarHBondContact O-N 3.44Å; L401-S403 VanDerWaalsContact O-N 3.08Å; L401-L404 PolarHBondContact O-N 3.44Å; L401-Q405 PolarHBondContact O-N 2.82Å
402H52.7Low55.3Low156 Ų156118.3 Ų118.372%0.72264%0.639SS**Hα-helixtrans-52.3-31.3179.9-72.482.1000114.1P400 L404 S406P400-H402 PolarHBondContact O-N 2.98Å; P400-H402 VanDerWaalsContact O-N 3.12Å; H402-L404 VanDerWaalsContact C-N 3.35Å; H402-L404 PolarHBondContact O-N 2.85Å; H402-S406 VanDerWaalsContact O-CB 3.25Å; H402-S406 WeakPolarHBondContact O-CB 3.3Å; H402-S406 PolarHBondContact O-N 2.82Å
403S54.1Low57.8Low62 Ų62120 Ų12043%0.43463%0.631SS.*Hα-helixtrans-76.2-18.2178.371.30000114.4P400 L401 R407P400-S403 PolarHBondContact O-N 3.45Å; L401-S403 PolarHBondContact O-N 3.44Å; L401-S403 VanDerWaalsContact O-N 3.08Å; S403-R407 WeakPolarHBondContact O-CB 3.44Å; S403-R407 WeakPolarHBondContact O-CG 3.08Å; S403-R407 PolarHBondContact O-N 3.48Å; S403-R407 PolarHBondContact O-NE 3.1Å
404L57.9Low60.3Low97 Ų97121.1 Ų121.151%0.50862%0.617SS.*Hα-helixtrans-82.2-46.4169.6-76.6166000110.2L401 H402 S406 R407 I408L401-L404 PolarHBondContact O-N 3.44Å; H402-L404 VanDerWaalsContact C-N 3.35Å; H402-L404 PolarHBondContact O-N 2.85Å; L404-S406 PolarHBondContact O-N 3.42Å; L404-R407 PolarHBondContact O-N 2.84Å; L404-I408 VanDerWaalsContact O-CG1 3.31Å; L404-I408 WeakPolarHBondContact O-CG1 3.35Å; L404-I408 PolarHBondContact O-N 2.89Å
405Q59.9Low63.1Low102 Ų102119 Ų11948%0.47760%0.596SS.*Hα-helixtrans-55.2-53.2175.8-170.861.228.200111.2L401 R407 I408 E409L401-Q405 PolarHBondContact O-N 2.82Å; Q405-R407 VanDerWaalsContact C-N 3.32Å; Q405-R407 PolarHBondContact O-N 2.84Å; Q405-I408 WeakPolarHBondContact O-CA 3.39Å; Q405-I408 WeakPolarHBondContact O-CB 3.35Å; Q405-I408 PolarHBondContact O-N 3.4Å; Q405-E409 WeakPolarHBondContact CG-OE1 3.47Å; Q405-E409 PolarHBondContact NE2-OE1 2.81Å; Q405-E409 WeakPolarHBondContact O-CG 3.42Å; Q405-E409 PolarHBondContact O-N 3.13Å
406S64.3Low65Low66 Ų66117 Ų11746%0.46258%0.578SS.*Hα-helixtrans-58.9-36.8176.8170.30000113.3H402 L404 I408 E409 D410H402-S406 VanDerWaalsContact O-CB 3.25Å; H402-S406 WeakPolarHBondContact O-CB 3.3Å; H402-S406 PolarHBondContact O-N 2.82Å; L404-S406 PolarHBondContact O-N 3.42Å; S406-I408 VanDerWaalsContact C-N 3.32Å; S406-E409 PolarHBondContact O-N 2.75Å; S406-D410 WeakPolarHBondContact O-CB 3.18Å; S406-D410 PolarHBondContact O-N 3.47Å
407R72.1Confident67.9Low149 Ų149114 Ų11456%0.56256%0.562SS**Hα-helixtrans-75.4-17.5175.1-77.8-169.1-57.5-126.7-2.5114.2S403 L404 Q405 R411S403-R407 WeakPolarHBondContact O-CB 3.44Å; S403-R407 WeakPolarHBondContact O-CG 3.08Å; S403-R407 PolarHBondContact O-N 3.48Å; S403-R407 PolarHBondContact O-NE 3.1Å; L404-R407 PolarHBondContact O-N 2.84Å; Q405-R407 VanDerWaalsContact C-N 3.32Å; Q405-R407 PolarHBondContact O-N 2.84Å; R407-R411 VanDerWaalsContact O-CB 3.23Å; R407-R411 WeakPolarHBondContact O-CB 3.45Å; R407-R411 PolarHBondContact O-N 2.92Å
408I78.3Confident69.9Low91 Ų91106.1 Ų106.147%0.46754%0.543SS..Hα-helixtrans-82.7-43.9171.8-67.6167.7000108.7L404 Q405 S406 R411 L412L404-I408 VanDerWaalsContact O-CG1 3.31Å; L404-I408 WeakPolarHBondContact O-CG1 3.35Å; L404-I408 PolarHBondContact O-N 2.89Å; Q405-I408 WeakPolarHBondContact O-CA 3.39Å; Q405-I408 WeakPolarHBondContact O-CB 3.35Å; Q405-I408 PolarHBondContact O-N 3.4Å; S406-I408 VanDerWaalsContact C-N 3.32Å; I408-R411 CarbonylContact O-C 3.52Å; I408-R411 WeakPolarHBondContact O-CB 3.28Å; I408-R411 PolarHBondContact O-N 3.14Å; I408-R411 VanDerWaalsContact O-N 3.15Å; I408-L412 HydrophobicContact CG2-CD1 3.96Å; I408-L412 HydrophobicContact CG2-CG 4.46Å; I408-L412 WeakPolarHBondContact O-CB 3.4Å; I408-L412 VanDerWaalsContact O-CG 3.3Å; I408-L412 WeakPolarHBondContact O-CG 3.3Å; I408-L412 PolarHBondContact O-N 3.16Å
409E79.5Confident72.2Confident96 Ų9699.6 Ų99.645%0.44951%0.514SS..Hα-helixtrans-61.8-51.3175.1-71.2158.3173.800111.7Q405 S406 R411 L412 E413Q405-E409 WeakPolarHBondContact CG-OE1 3.47Å; Q405-E409 PolarHBondContact NE2-OE1 2.81Å; Q405-E409 WeakPolarHBondContact O-CG 3.42Å; Q405-E409 PolarHBondContact O-N 3.13Å; S406-E409 PolarHBondContact O-N 2.75Å; E409-R411 PolarHBondContact O-N 3.25Å; E409-R411 VanDerWaalsContact O-N 3.11Å; E409-L412 CarbonylContact O-C 3.53Å; E409-L412 WeakPolarHBondContact O-CA 3.31Å; E409-L412 PolarHBondContact O-N 2.89Å; E409-E413 WeakPolarHBondContact O-CB 3.41Å; E409-E413 PolarHBondContact O-N 2.79Å
410D79.3Confident74Confident59 Ų59101 Ų10132%0.31651%0.505SS..Hα-helixtrans-61.7-18173.4177.958.8000113.1S406 R414S406-D410 WeakPolarHBondContact O-CB 3.18Å; S406-D410 PolarHBondContact O-N 3.47Å; D410-R414 VanDerWaalsContact CG-CZ 3.48Å; D410-R414 WeakPolarHBondContact O-CG 3.26Å; D410-R414 PolarHBondContact O-NH1 3.41Å; D410-R414 IonicContact OD1-CZ 3.28Å; D410-R414 IonicContact OD1-NH1 2.69Å; D410-R414 PolarHBondContact OD1-NH1 2.96Å; D410-R414 VanDerWaalsContact OD1-NH1 3.12Å; D410-R414 IonicContact OD1-NH2 3Å; D410-R414 PolarHBondContact OD1-NH2 3.04Å; D410-R414 IonicContact OD2-CZ 3.62Å; D410-R414 VanDerWaalsContact OD2-CZ 3.28Å; D410-R414 IonicContact OD2-NH1 2.69Å; D410-R414 PolarHBondContact OD2-NH1 3.28Å; D410-R414 IonicContact OD2-NH2 3.08Å; D410-R414 PolarHBondContact OD2-NH2 3.46Å
411R82.2Confident75.9Confident165 Ų165100.2 Ų100.262%0.62350%0.498SS*.Hα-helixtrans-90.5-29.5170.9-175.3178.4179.6-76.1-1.8112.6R407 I408 E409 L415R407-R411 VanDerWaalsContact O-CB 3.23Å; R407-R411 WeakPolarHBondContact O-CB 3.45Å; R407-R411 PolarHBondContact O-N 2.92Å; I408-R411 CarbonylContact O-C 3.52Å; I408-R411 WeakPolarHBondContact O-CB 3.28Å; I408-R411 PolarHBondContact O-N 3.14Å; I408-R411 VanDerWaalsContact O-N 3.15Å; E409-R411 PolarHBondContact O-N 3.25Å; E409-R411 VanDerWaalsContact O-N 3.11Å; R411-L415 WeakPolarHBondContact O-CB 3.33Å; R411-L415 PolarHBondContact O-N 2.86Å
412L85.8Confident77.5Confident90 Ų9099.7 Ų99.747%0.47150%0.496SS..Hα-helixtrans-75.9-44.3175.1-74167.9000110.8I408 E409 R414 L415 D416I408-L412 HydrophobicContact CG2-CD1 3.96Å; I408-L412 HydrophobicContact CG2-CG 4.46Å; I408-L412 WeakPolarHBondContact O-CB 3.4Å; I408-L412 VanDerWaalsContact O-CG 3.3Å; I408-L412 WeakPolarHBondContact O-CG 3.3Å; I408-L412 PolarHBondContact O-N 3.16Å; E409-L412 CarbonylContact O-C 3.53Å; E409-L412 WeakPolarHBondContact O-CA 3.31Å; E409-L412 PolarHBondContact O-N 2.89Å; L412-R414 PolarHBondContact O-N 2.82Å; L412-L415 CarbonylContact O-C 3.56Å; L412-L415 VanDerWaalsContact O-CA 3.32Å; L412-L415 WeakPolarHBondContact O-CA 3.33Å; L412-L415 VanDerWaalsContact O-CB 3.23Å; L412-L415 WeakPolarHBondContact O-CB 3.04Å; L412-L415 PolarHBondContact O-N 3.25Å; L412-D416 PolarHBondContact O-N 3.46Å
413E83.6Confident78.5Confident131 Ų13199.6 Ų99.661%0.61249%0.489SS*.Hα-helixtrans-56.8-48.4174.7-174.4173.4-155.700111E409 L415 D416 D417E409-E413 WeakPolarHBondContact O-CB 3.41Å; E409-E413 PolarHBondContact O-N 2.79Å; E413-L415 PolarHBondContact O-N 2.82Å; E413-D416 PolarHBondContact O-N 3.23Å; E413-D417 WeakPolarHBondContact O-CB 3.45Å; E413-D417 PolarHBondContact O-N 3.26Å
414R84.8Confident79.2Confident144 Ų144100.3 Ų100.354%0.54349%0.494SS..Hα-helixtrans-66.2-21.2172.2-68.6-167.3-159.491.62.3114.4D410 L412 A418D410-R414 VanDerWaalsContact CG-CZ 3.48Å; D410-R414 WeakPolarHBondContact O-CG 3.26Å; D410-R414 PolarHBondContact O-NH1 3.41Å; D410-R414 IonicContact OD1-CZ 3.28Å; D410-R414 IonicContact OD1-NH1 2.69Å; D410-R414 PolarHBondContact OD1-NH1 2.96Å; D410-R414 VanDerWaalsContact OD1-NH1 3.12Å; D410-R414 IonicContact OD1-NH2 3Å; D410-R414 PolarHBondContact OD1-NH2 3.04Å; D410-R414 IonicContact OD2-CZ 3.62Å; D410-R414 VanDerWaalsContact OD2-CZ 3.28Å; D410-R414 IonicContact OD2-NH1 2.69Å; D410-R414 PolarHBondContact OD2-NH1 3.28Å; D410-R414 IonicContact OD2-NH2 3.08Å; D410-R414 PolarHBondContact OD2-NH2 3.46Å; L412-R414 PolarHBondContact O-N 2.82Å; R414-A418 WeakPolarHBondContact O-CB 3.31Å; R414-A418 PolarHBondContact O-N 3.33Å
415L89.8Confident79.4Confident70 Ų70102.7 Ų102.737%0.36650%0.502SS..Hα-helixtrans-77.9-43.4173.7-115.9160000110.6R411 L412 E413 A418 I419R411-L415 WeakPolarHBondContact O-CB 3.33Å; R411-L415 PolarHBondContact O-N 2.86Å; L412-L415 CarbonylContact O-C 3.56Å; L412-L415 VanDerWaalsContact O-CA 3.32Å; L412-L415 WeakPolarHBondContact O-CA 3.33Å; L412-L415 VanDerWaalsContact O-CB 3.23Å; L412-L415 WeakPolarHBondContact O-CB 3.04Å; L412-L415 PolarHBondContact O-N 3.25Å; E413-L415 PolarHBondContact O-N 2.82Å; L415-A418 PolarHBondContact O-N 3.42Å; L415-I419 HydrophobicContact CD2-CD1 3.97Å; L415-I419 VanDerWaalsContact O-CB 3.27Å; L415-I419 WeakPolarHBondContact O-CB 3.5Å; L415-I419 WeakPolarHBondContact O-CD1 3.35Å; L415-I419 WeakPolarHBondContact O-CG1 3.39Å; L415-I419 PolarHBondContact O-N 2.91Å
416D87.3Confident79.5Confident82 Ų82101.9 Ų101.944%0.43951%0.513SS..Hα-helixtrans-67.3-38.6174.2-86.1-48.6000111.6L412 E413 I419 H420L412-D416 PolarHBondContact O-N 3.46Å; E413-D416 PolarHBondContact O-N 3.23Å; D416-I419 CarbonylContact O-C 3.49Å; D416-I419 PolarHBondContact O-N 2.78Å; D416-H420 WeakPolarHBondContact O-CB 3.44Å; D416-H420 PolarHBondContact O-N 3Å; D416-H420 PolarHBondContact O-ND1 2.78Å
417D88.7Confident79.3Confident104 Ų104104.2 Ų104.256%0.55652%0.524SS*.Hα-helixtrans-59.7-50.1168.6-99.2-4.3000111.2E413 I419 H420 V421E413-D417 WeakPolarHBondContact O-CB 3.45Å; E413-D417 PolarHBondContact O-N 3.26Å; D417-I419 PolarHBondContact O-N 3.24Å; D417-H420 PolarHBondContact O-N 2.69Å; D417-H420 VanDerWaalsContact O-N 3.13Å; D417-V421 WeakPolarHBondContact O-CB 3.42Å; D417-V421 VanDerWaalsContact O-CG2 3.31Å; D417-V421 WeakPolarHBondContact O-CG2 3.18Å; D417-V421 PolarHBondContact O-N 2.84Å
418A82.8Confident78.2Confident56 Ų5698.9 Ų98.946%0.46352%0.516SS..Hα-helixtrans-60-33.2176.500000112R414 L415 L422R414-A418 WeakPolarHBondContact O-CB 3.31Å; R414-A418 PolarHBondContact O-N 3.33Å; L415-A418 PolarHBondContact O-N 3.42Å; A418-L422 WeakPolarHBondContact O-CB 3.35Å; A418-L422 PolarHBondContact O-N 3.28Å
419I85.6Confident76.8Confident56 Ų56100.9 Ų100.929%0.28754%0.535SS..Hα-helixtrans-76.5-34.9176-73.5164.5000111.7L415 D416 D417 L422 R423L415-I419 HydrophobicContact CD2-CD1 3.97Å; L415-I419 VanDerWaalsContact O-CB 3.27Å; L415-I419 WeakPolarHBondContact O-CB 3.5Å; L415-I419 WeakPolarHBondContact O-CD1 3.35Å; L415-I419 WeakPolarHBondContact O-CG1 3.39Å; L415-I419 PolarHBondContact O-N 2.91Å; D416-I419 CarbonylContact O-C 3.49Å; D416-I419 PolarHBondContact O-N 2.78Å; D417-I419 PolarHBondContact O-N 3.24Å; I419-L422 PolarHBondContact O-N 3.22Å; I419-R423 HydrophobicContact CG2-CG 4.49Å; I419-R423 WeakPolarHBondContact O-CB 3.38Å; I419-R423 VanDerWaalsContact O-CG 3.28Å; I419-R423 WeakPolarHBondContact O-CG 3.29Å; I419-R423 PolarHBondContact O-N 2.9Å
420H84.4Confident74.8Confident116 Ų116101.4 Ų101.454%0.53755%0.549SS..Hα-helixtrans-67.7-42.3172.3-79.793.5000111.3D416 D417 R423 S424D416-H420 WeakPolarHBondContact O-CB 3.44Å; D416-H420 PolarHBondContact O-N 3Å; D416-H420 PolarHBondContact O-ND1 2.78Å; D417-H420 PolarHBondContact O-N 2.69Å; D417-H420 VanDerWaalsContact O-N 3.13Å; H420-R423 PolarHBondContact O-N 2.69Å; H420-S424 WeakPolarHBondContact O-CB 3.44Å; H420-S424 PolarHBondContact O-N 3.12Å; H420-S424 PolarHBondContact O-OG 2.77Å
421V88.3Confident73.1Confident78 Ų78105.8 Ų105.847%0.47358%0.578SS.*Hα-helixtrans-62.1-43.9171171.30000110.6D417 S424 H425D417-V421 WeakPolarHBondContact O-CB 3.42Å; D417-V421 VanDerWaalsContact O-CG2 3.31Å; D417-V421 WeakPolarHBondContact O-CG2 3.18Å; D417-V421 PolarHBondContact O-N 2.84Å; V421-S424 PolarHBondContact O-N 3.44Å; V421-S424 PolarHBondContact O-OG 3.24Å; V421-H425 WeakPolarHBondContact O-CB 3.49Å; V421-H425 PolarHBondContact O-CD2 3.03Å; V421-H425 PolarHBondContact O-N 3.26Å
422L85.7Confident70.9Confident123 Ų123101.3 Ų101.364%0.64458%0.583SS**Hα-helixtrans-68.2-37.1177.3-163.972000112A418 I419 A426A418-L422 WeakPolarHBondContact O-CB 3.35Å; A418-L422 PolarHBondContact O-N 3.28Å; I419-L422 PolarHBondContact O-N 3.22Å; L422-A426 WeakPolarHBondContact O-CB 3.27Å; L422-A426 PolarHBondContact O-N 2.8Å
423R74Confident68.4Low154 Ų154105.5 Ų105.558%0.58160%0.602SS**Hα-helixtrans-65.7-45.5173.7-77.7-172.3-121.4-100.811111.5I419 H420 H425 A426 V427I419-R423 HydrophobicContact CG2-CG 4.49Å; I419-R423 WeakPolarHBondContact O-CB 3.38Å; I419-R423 VanDerWaalsContact O-CG 3.28Å; I419-R423 WeakPolarHBondContact O-CG 3.29Å; I419-R423 PolarHBondContact O-N 2.9Å; H420-R423 PolarHBondContact O-N 2.69Å; R423-H425 PolarHBondContact O-N 2.81Å; R423-A426 PolarHBondContact O-N 2.75Å; R423-V427 WeakPolarHBondContact O-CB 3.14Å; R423-V427 WeakPolarHBondContact O-CG2 3.38Å; R423-V427 PolarHBondContact O-N 3.05Å
424S68.6Low66.1Low77 Ų77103.3 Ų103.354%0.53861%0.606SS.*Hα-helixtrans-70.7-27.5-179.460.80000113.5H420 V421H420-S424 WeakPolarHBondContact O-CB 3.44Å; H420-S424 PolarHBondContact O-N 3.12Å; H420-S424 PolarHBondContact O-OG 2.77Å; V421-S424 PolarHBondContact O-N 3.44Å; V421-S424 PolarHBondContact O-OG 3.24Å
425H63.4Low63.7Low148 Ų148101.9 Ų101.969%0.68562%0.619SS**Hα-helixtrans-87.1-28.9171.2-71.9-58.4000114.5V421 R423 G428V421-H425 WeakPolarHBondContact O-CB 3.49Å; V421-H425 PolarHBondContact O-CD2 3.03Å; V421-H425 PolarHBondContact O-N 3.26Å; R423-H425 PolarHBondContact O-N 2.81Å; H425-G428 PolarHBondContact O-N 3.34Å
426A61.8Low61.2Low84 Ų84103.2 Ų103.269%0.69464%0.64SS**Hα-helixtrans-73.2-33.9172.600000111.9L422 R423 G428L422-A426 WeakPolarHBondContact O-CB 3.27Å; L422-A426 PolarHBondContact O-N 2.8Å; R423-A426 PolarHBondContact O-N 2.75Å; A426-G428 PolarHBondContact O-N 2.68Å; A426-G428 VanDerWaalsContact O-N 3.1Å
427V58.6Low59.1Low115 Ų115107.1 Ų107.170%0.69766%0.655SS**SBendtrans-84.154.5165.9-169.80000109.4R423R423-V427 WeakPolarHBondContact O-CB 3.14Å; R423-V427 WeakPolarHBondContact O-CG2 3.38Å; R423-V427 PolarHBondContact O-N 3.05Å
428G49.8Very low56.9Low38 Ų38104.9 Ų104.939%0.39266%0.657SS.*  trans-59.8147.6162.400000110.1H425 A426 S430H425-G428 PolarHBondContact O-N 3.34Å; A426-G428 PolarHBondContact O-N 2.68Å; A426-G428 VanDerWaalsContact O-N 3.1Å; G428-S430 PolarHBondContact O-N 3.27Å
429P48.8Very low54.8Low133 Ų133109.1 Ų109.186%0.86467%0.671SS**  trans-63.3106.4-165.723.7-34.3000112.6T431P429-T431 PolarHBondContact O-N 2.7Å; P429-T431 VanDerWaalsContact O-N 3.15Å
430S37.8Very low53.1Low107 Ų107114.3 Ų114.375%0.74870%0.696SS**  trans-71105.4176.437.70000110.7G428 G432G428-S430 PolarHBondContact O-N 3.27Å; S430-G432 PolarHBondContact O-N 3.14Å; S430-G432 VanDerWaalsContact O-N 3.07Å
431T43.4Very low50.8Low151 Ų151117.3 Ų117.393%0.92671%0.71SS**  trans-1798.5170.954.50000115.6P429P429-T431 PolarHBondContact O-N 2.7Å; P429-T431 VanDerWaalsContact O-N 3.15Å
432G36.1Very low48.5Very low70 Ų70117.4 Ų117.472%0.72273%0.727SS**  trans-162.244.3-166.800000118.5S430S430-G432 PolarHBondContact O-N 3.14Å; S430-G432 VanDerWaalsContact O-N 3.07Å
433M33.9Very low46.3Very low178 Ų178118.2 Ų118.288%0.87773%0.731SS**  trans50.5104.6154.7-66.2-121.558.100121.6
434A35Very low44.4Very low85 Ų85119 Ų11970%0.70275%0.745SS**  trans69.3139.3135.100000123.3
435S33.8Very low42.5Very low115 Ų115118.8 Ų118.880%0.80476%0.755SS**  trans64.9131.8167.5-65.70000118.1
436A38.1Very low41.1Very low97 Ų97116.8 Ų116.880%0.80276%0.764SS**  cis80.313841.600000112.8
437H42.6Very low39.6Very low165 Ų165116.3 Ų116.376%0.76476%0.761SS**  cis-161.8158.6-5.3166.1-81.8000108.9D439H437-D439 IonicContact CE1-OD1 3.49Å; H437-D439 PolarHBondContact CE1-OD1 3.3Å; H437-D439 IonicContact ND1-OD1 3.66Å
438G42.3Very low38.3Very low57 Ų57119.5 Ų119.559%0.58877%0.767SS**  trans95.2161.6155.100000117.2
439D37.9Very low37.6Very low145 Ų145123.8 Ų123.878%0.77579%0.786SS**  cis-140.7152.5-2.4-89-39.5000113.8H437H437-D439 IonicContact CE1-OD1 3.49Å; H437-D439 PolarHBondContact CE1-OD1 3.3Å; H437-D439 IonicContact ND1-OD1 3.66Å
440M50.3Low36.8Very low164 Ų164124.7 Ų124.781%0.80878%0.778SS**  trans-80.6124.6170.7-64.3168.8-76.900109.8
441H36.5Very low36.7Very low180 Ų180126.4 Ų126.483%0.83378%0.779SS**  trans-144.876.5151.5-124.2-84.3000112.4
442G39.9Very low36.1Very low80 Ų80122.5 Ų122.583%0.82577%0.769SS**  trans-136.241.9173.100000111.2
443L39.7Very low36.1Very low140 Ų140123.6 Ų123.673%0.73377%0.772SS**  trans-74.8149.8-177.2-102167.4000112.1
444I33.8Very low36.2Very low170 Ų170123.9 Ų123.987%0.87277%0.773SS**  trans76.4106.5173.4-53.7159.2000114
445G30Very low36.1Very low73 Ų73122.6 Ų122.675%0.75377%0.768SS**  trans-162.8-5.1-178.400000119.3
446A33.8Very low36.1Very low106 Ų106121.8 Ų121.888%0.87677%0.768SS**  trans63164.5176.100000117.2
447A29Very low36.2Very low74 Ų74125.5 Ų125.561%0.61277%0.774SS**  cis-165.9151.1-3800000110.7
448H31.1Very low35.7Very low181 Ų181120.8 Ų120.884%0.83877%0.769SS**  trans63.2162.4170-54.4-64.3000116.3
449T35Very low35.3Very low128 Ų128124 Ų12479%0.78578%0.783SS**  cis-144.9131.611.8-110000112.6
450H32.5Very low34.9Very low152 Ų152119.5 Ų119.570%0.70477%0.771SS**  56.993.3123.2-164.7-77000123.4
451N36.4Very low34.1Very low143 Ų143123.1 Ų123.177%0.76578%0.777SS**  53.2130.3112.2-171.138.7000122.7
452G31.5Very low33.7Very low69 Ų69117.4 Ų117.471%0.71177%0.767SS**  trans103.7154.5158.800000116.4
453A34.9Very low33.2Very low94 Ų94120.8 Ų120.878%0.77777%0.772SS**  cis-167167.4-14.200000111
454M35.9Very low32.8Very low184 Ų184117.6 Ų117.691%0.90677%0.772SS**  trans66.1138.1168.2-55.4-63.8-73.800118.4
455G32.6Very low32.7Very low58 Ų58117.2 Ų117.260%0.59877%0.771SS**  cis123.6111.6-17.400000116.4
456A33.4Very low33Very low97 Ų97121.4 Ų121.480%0.80278%0.775SS**  trans63.9164.8168.900000115.9
457L40.4Very low32.8Very low176 Ų176121.6 Ų121.692%0.92177%0.771SS**  cis-131.6171.75.2-67.5156.1000108.4
458G32.8Very low32.8Very low65 Ų65122.1 Ų122.167%0.6778%0.775SS**  cis140.7124.8-2.300000112.2
459S33.1Very low32.7Very low125 Ų125119.2 Ų119.287%0.87477%0.765SS**  trans66.7150.8177.4-154.20000117.2
460G30.9Very low32.8Very low51 Ų51122.6 Ų122.653%0.52676%0.764SS.*  cis142.2124.2-13.900000114.4
461Y32.3Very low32.6Very low240 Ų240123.2 Ų123.294%0.94177%0.767SS**  trans63.7150.5167.3-46.7-83.8000117.6
462G29.5Very low32Very low60 Ų60120.9 Ų120.962%0.61976%0.761SS**  cis173.9153.3-10.200000114.8
463T29.4Very low32.2Very low151 Ų151125.8 Ų125.893%0.92677%0.771SS**  trans51.2117.6148.955.10000123.5
464G30.1Very low32.3Very low72 Ų72129.8 Ų129.874%0.74278%0.775SS**  trans93.2154.213400000117.8
465L33Very low32.2Very low162 Ų162128.2 Ų128.285%0.84878%0.776SS**  cis-141.6155.3-7.9-71.7168.4000107.4
466L35.9Very low32Very low161 Ų161128.6 Ų128.684%0.84378%0.779SS**  -179131.491.4-78.3159.6000105.2
467S28Very low31.8Very low111 Ų111129.9 Ų129.978%0.77678%0.783SS**  73.4102.253.4-167.40000115.1
468A30.6Very low31.1Very low85 Ų85129.7 Ų129.770%0.70278%0.777SS**  trans-177.2125.1135.200000113.5
469N28.1Very low31.1Very low119 Ų119137.1 Ų137.164%0.63679%0.785SS**  trans64.5138.9140.2-89.9-41.3000120.3
470R36.8Very low30.9Very low200 Ų200138.9 Ų138.976%0.75578%0.779SS**  cis-148.2143.99.7-57.2-172.3-174.4-81.8-2.6112
471H28.1Very low30.9Very low165 Ų165144.4 Ų144.476%0.76480%0.797SS**  trans48.3156.7137.7-68.3-124.6000122.1
472S24.4Very low30.7Very low93 Ų93136.2 Ų136.265%0.6579%0.785SS**  cis174.9130.4-33.2-95.30000108.1
473L35Very low30.6Very low173 Ų173136.7 Ų136.791%0.90679%0.79SS**  trans17280.2162.4-98.9155.6000107.4
474M37.7Very low30.9Very low178 Ų178134.6 Ų134.688%0.87778%0.782SS**  52.792.281.3-75.1-163.4169.900116.1
475V33Very low31Very low150 Ų150138.4 Ų138.491%0.90979%0.79SS**  trans-166.5144.6131.61420000105.1
476G30Very low30.9Very low66 Ų66134 Ų13468%0.6878%0.784SS**  cis144.6113.81.900000108.6
477S29.1Very low30.6Very low125 Ų125132 Ų13287%0.87478%0.784SS**  trans-73.5137.9-174.7-54.20000112.5
478H25.8Very low31Very low171 Ų171135.2 Ų135.279%0.79279%0.791SS**  trans-149.8122.6151.8-135.3-113.2000110.3
479R32.8Very low31Very low222 Ų222142.8 Ų142.884%0.83880%0.802SS**  trans-75.8148.6141.3-73.6175.6167.9176.2-5.3106.1
480E28.7Very low31.1Very low161 Ų161140.8 Ų140.875%0.75281%0.809SS**  -168.6144.2117.3-73.8-40.148.300107.9
481D30.6Very low30.7Very low168 Ų168134.1 Ų134.190%0.89880%0.803SS**  trans-134.9152.7155.1175.141.9000107.3
482G28.5Very low30.8Very low68 Ų68134.6 Ų134.670%0.70181%0.805SS**  trans99.3146.3172.700000116.1
483G27.9Very low31.1Very low70 Ų70135 Ų13572%0.72281%0.807SS**  trans106.975.3-175.700000111.7
484S34.1Very low31Very low107 Ų107135.4 Ų135.475%0.74881%0.807SS**  cis62.5134.132.3-1660000113.7
485V33.7Very low30.6Very low151 Ų151130.6 Ų130.692%0.91580%0.803SS**  trans58.6143.1-165.5-48.50000115.2
486G29.7Very low30.5Very low71 Ų71126.9 Ų126.973%0.73280%0.795SS**  cis-170.7-176.3-1.900000112.6
487S30.7Very low30.5Very low119 Ų119132.2 Ų132.283%0.83280%0.803SS**  trans-44.6148-178-51.40000116.2
488L35.2Very low30.6Very low177 Ų177132.5 Ų132.593%0.92780%0.798SS**  -160158.7121-106.2163.7000112.5
489R30.7Very low30.7Very low245 Ų245129 Ų12993%0.92579%0.793SS**  trans-89.6153179.4-77.9173.5152.8-149.7-0.8111.4
490G30.1Very low30.7Very low76 Ų76124.7 Ų124.778%0.78479%0.792SS**  trans130.3128.3157.700000113.1
491G28.8Very low31.6Very low61 Ų61122.2 Ų122.263%0.62979%0.79SS**  cis-176.8164.3-5.600000113.5
492H29.8Very low31.5Very low174 Ų174123.3 Ų123.381%0.80679%0.789SS**  trans-19147.9144.722.3-102.4000115.4
493S31Very low31.4Very low101 Ų101127.6 Ų127.671%0.70680%0.795SS**  cis-172.414919.9-116.50000115
494M31.9Very low32.4Very low182 Ų182129.3 Ų129.390%0.89779%0.794SS**  74.3155.3125.6-67.3-78.9-7800124.5
495G29.4Very low32.3Very low78 Ų78131.2 Ų131.280%0.80480%0.8SS**  trans94.8131.1173.200000112.6
496G31.1Very low32Very low72 Ų72132.4 Ų132.474%0.74280%0.796SS**  cis156.6157.42.900000108.1
497Q31.1Very low31.9Very low178 Ų178134.9 Ų134.983%0.83280%0.802SS**  cis-153.9159.96.9-65.6-160.8-6.700111.6
498V30Very low31.8Very low130 Ų130133.2 Ų133.279%0.78880%0.796SS**  44.9143.5128175.30000121.7
499S28.7Very low31.7Very low98 Ų98130.9 Ų130.969%0.68579%0.789SS**  cis-177.7157.9-28.3-1520000112.5
500V33.5Very low31.5Very low132 Ų132124.9 Ų124.980%0.878%0.784SS**  trans67.1174.6161.5-117.40000119.3
501P47.6Very low32Very low109 Ų109127.4 Ų127.471%0.70879%0.787SS**  -131.3169.2-116.345-27.8000117.8
502Q27.7Very low31.8Very low191 Ų191131 Ų13189%0.89379%0.792SS**  trans-161.3153.8143.7-155.4138.4-79.400114.7
503L27.5Very low31.8Very low158 Ų158129.3 Ų129.383%0.82779%0.788SS**  trans-137.8166.1161.7-89.7174.4000107.1
504P47.4Very low31.7Very low106 Ų106129.9 Ų129.969%0.68879%0.792SS**  cis-128.5166.5-11.139.9-26.2000113.8
505V31.6Very low31.8Very low147 Ų147128.9 Ų128.989%0.89179%0.785SS**  trans-144.4144.9141.1168.60000107.9
506Q29Very low32.5Very low176 Ų176130.9 Ų130.982%0.82278%0.784SS**  trans-96.4142.4179-56.7170.25.500111.3
507S26.9Very low32.5Very low122 Ų122134.4 Ų134.485%0.85379%0.786SS**  trans-173.5134.5133.1-85.30000113.9
508A29.1Very low32.9Very low85 Ų85130.6 Ų130.670%0.70278%0.777SS**  trans58.1117.3149.400000122.1
509T32.9Very low32.7Very low127 Ų127135.6 Ų135.678%0.77978%0.783SS**  trans63.381.6136.957.20000120.6
510S27.4Very low32.8Very low119 Ų119142.7 Ų142.783%0.83280%0.795SS**  65149.9118.2-53.70000122
511P39.9Very low32.6Very low129 Ų129140.7 Ų140.784%0.83879%0.792SS**  trans-114.2179.2-161.943.6-33.1000115.9
512D23.7Very low31.8Very low138 Ų138143.7 Ų143.774%0.73880%0.801SS**  trans-76.4178.2169.8-178.127.6000113.4
513L30.7Very low31.8Very low138 Ų138140.7 Ų140.772%0.72380%0.801SS**  trans99.6122.2155.5-59.2176.7000121.6
514S28Very low31.9Very low112 Ų112137.4 Ų137.478%0.78381%0.805SS**  trans85.4109.8132.664.50000122.1
515Q34.4Very low30.9Very low161 Ų161136.2 Ų136.275%0.75281%0.812SS**  trans-55.8153.9145.2-89.1-83.7-15.300111.9
516P43.3Very low30.9Very low121 Ų121136.9 Ų136.979%0.78681%0.81SS**  -146.5160.18339-21.7000117.9
517D31.7Very low30.8Very low145 Ų145137.7 Ų137.778%0.77581%0.814SS**  trans-91.8133.7-177.9-163.712.7000112.9
518P40.2Very low30.9Very low99 Ų99135 Ų13564%0.64381%0.805SS**  trans-110.2106.9-178.414.57.6000115.7
519Y25.3Very low30.9Very low235 Ų235140.5 Ų140.592%0.92282%0.816SS**  trans81.7138.2147-68.4-78.5000123.4
520R31Very low30.7Very low247 Ų247139.7 Ų139.793%0.93282%0.816SS**  trans-133.6101.1176173.1-165.6-180-176.52109.6
521A29.8Very low30.8Very low89 Ų89140.1 Ų140.174%0.73681%0.814SS**  trans-167.6147.5170.400000107.8
522L29.8Very low30.1Very low172 Ų172138.8 Ų138.890%0.90181%0.807SS**  cis-133.3177.68.5-72.1168.2000110.9
523S28.5Very low30.3Very low129 Ų129138 Ų13890%0.90281%0.813SS**  trans-107148.1167.7-59.20000111.9
524G28.8Very low30.1Very low88 Ų88138.7 Ų138.791%0.90782%0.823SS**  trans123.5123.4156.600000116.2
525G27.8Very low30.1Very low82 Ų82139.1 Ų139.185%0.84583%0.826SS**  trans169.4142.6174.400000110.8
526L30.3Very low29.9Very low161 Ų161136 Ų13684%0.84382%0.822SS**  trans-133.7156.1-174.5-97.4166.4000110.8
527Q27Very low29.2Very low192 Ų192138.4 Ų138.490%0.89782%0.822SS**  trans65.3156.1170.4-62.3155.7-40.700114.9
528G29.7Very low29.5Very low65 Ų65139.6 Ų139.667%0.6783%0.827SS**  cis153.8163.7-7.300000112.4
529Q28.9Very low29.3Very low201 Ų201142.6 Ų142.694%0.93983%0.83SS**  trans77.8165.8175.4-52.7-169.94.100117.8
530S29.4Very low29.8Very low110 Ų110137 Ų13777%0.76983%0.825SS**  trans-147.2154.4-165.4-53.30000111
531T28.2Very low30.3Very low129 Ų129131.8 Ų131.879%0.79181%0.811SS**  trans-131.8107.9166.148.70000107.7
532S25.9Very low30.6Very low100 Ų100134.8 Ų134.870%0.69982%0.815SS**  71.6101.369.975.70000112.8
533S27Very low31.4Very low122 Ų122134.9 Ų134.985%0.85381%0.811SS**  trans-120.2135.4166.8-68.90000110
534V27.9Very low31.9Very low153 Ų153132 Ų13293%0.92780%0.801SS**  trans-58.5156.4178.5-78.40000113.9
535S27.2Very low32.3Very low121 Ų121135.6 Ų135.685%0.84680%0.8SS**  trans-135.9142.6169.3-175.30000108.9
536S30.2Very low33.3Very low96 Ų96140.2 Ų140.267%0.67180%0.8SS**  trans-142.9127.2177-920000111.7
537E29Very low33.6Very low170 Ų170139.5 Ų139.579%0.79480%0.796SS**  trans47.2101.8139-64.2155.886.200120.6
538I36.9Very low34.1Very low170 Ų170137.3 Ų137.387%0.87279%0.79SS**  -159.3113109.533.7173.7000106.5
539K36.8Very low34.6Very low162 Ų162141.7 Ų141.770%0.70480%0.797SS**  76.5106.469.4-177.5167.1175.4168.50113.1E541K539-E541 WeakPolarHBondContact CE-OE1 3.43Å; K539-E541 WeakPolarHBondContact CE-OE2 3.46Å; K539-E541 IonicContact NZ-OE1 2.75Å; K539-E541 IonicContact NZ-OE2 3.9Å; K539-E541 PolarHBondContact NZ-OE2 2.93Å
540S36.2Very low35.1Very low119 Ų119140.2 Ų140.283%0.83279%0.791SS**  trans-150.1112.9158.955.60000108.6
541E41.1Very low35.3Very low136 Ų136140.4 Ų140.464%0.63678%0.783SS**  trans-81.8144.3166.153.4-92.37300111.6K539K539-E541 WeakPolarHBondContact CE-OE1 3.43Å; K539-E541 WeakPolarHBondContact CE-OE2 3.46Å; K539-E541 IonicContact NZ-OE1 2.75Å; K539-E541 IonicContact NZ-OE2 3.9Å; K539-E541 PolarHBondContact NZ-OE2 2.93Å
542D36.7Very low35.6Very low152 Ų152139.6 Ų139.681%0.81378%0.783SS**  trans-167.1164.3134-152.410.9000111.2
543E45.6Very low36.2Very low175 Ų175142.9 Ų142.982%0.81878%0.784SS**  trans-62.7163.4179.1-48.4-73.9105.300112.6
544G39.6Very low37.1Very low68 Ų68142.7 Ų142.770%0.70178%0.78SS**  cis114.891.48.600000111.8
545D37.7Very low37.6Very low164 Ų164142.2 Ų142.288%0.87777%0.772SS**  trans-155.1118.8165.9-144.4-12.7000112.2
546E48.6Very low38.6Very low179 Ų179143.5 Ų143.584%0.83677%0.769SS**  trans-125.272.4-167.6-62.7-95.8-169.900110.1
547N36.2Very low39.4Very low145 Ų145147.2 Ų147.278%0.77577%0.773SS**  trans-164.6121166-116.4-76.9000115.7
548L38Very low40.1Very low147 Ų147146 Ų14677%0.7777%0.765SS**  -161.5102.3107.7-177.157.5000110.6
549L40.3Very low40.9Very low156 Ų156145.1 Ų145.182%0.81776%0.762SS**  trans-77.5124.9163.8-78.2162.9000109.6
550Q37.7Very low41.5Very low171 Ų171143 Ų14380%0.79976%0.758SS**  trans-118.392.8159-163.88184.300108.3
551D33.5Very low42.3Very low113 Ų113143 Ų14360%0.60475%0.749SS**  trans-58134.1178.3-179.620.8000111.6
552S35.5Very low42.8Very low113 Ų113143.3 Ų143.379%0.7976%0.755SS**  trans-157.6118.8165.2-80.10000109.5
553K38.8Very low43.5Very low169 Ų169144.7 Ų144.774%0.73575%0.753SS**  trans-80.3153.4-166.7-75.2168.7-175.2165.80113
554P45.4Very low43.5Very low118 Ų118142.9 Ų142.977%0.76675%0.745SS**  trans-67.5157.4-179.529.9-37000112
555L38.5Very low44.1Very low143 Ų143146.2 Ų146.275%0.74975%0.746SS**  trans-135108.4166-166.380.4000109.6K557L555-K557 PolarHBondContact O-N 3.33Å
556D48.3Very low44.6Very low147 Ų147146.9 Ų146.979%0.78674%0.741SS**  trans-59.2123.9177.7-57-92.1000111.9
557K47.1Very low44.3Very low174 Ų174141.6 Ų141.676%0.75773%0.728SS**  trans-161.1111.3157.5-101.4130.5-169.5169.80112.5L555L555-K557 PolarHBondContact O-N 3.33Å
558K43.8Very low44.8Very low145 Ų145141.1 Ų141.163%0.6372%0.724SS**  79.377.4127-160.6177.7172.153.80118.2D560K558-D560 VanDerWaalsContact C-N 3.27Å; K558-D560 WeakPolarHBondContact CE-OD2 3.5Å; K558-D560 IonicContact NZ-OD2 3.27Å; K558-D560 PolarHBondContact O-N 3.08Å
559D52.7Low45.3Very low152 Ų152142.2 Ų142.281%0.81373%0.725SS**  42.829.3106.4-45.1-62.2000120.4
560D51Low45.5Very low116 Ų116138.5 Ų138.562%0.6271%0.712SS**  trans-133.77.6177.9-94.8-57.1000114.6K558K558-D560 VanDerWaalsContact C-N 3.27Å; K558-D560 WeakPolarHBondContact CE-OD2 3.5Å; K558-D560 IonicContact NZ-OD2 3.27Å; K558-D560 PolarHBondContact O-N 3.08Å
561L51.5Low46.1Very low121 Ų121137.4 Ų137.463%0.63471%0.712SS**  trans-99.3-14.1-172.8-128.3153.3000115K563L561-K563 PolarHBondContact O-N 3.01Å; L561-K563 VanDerWaalsContact O-N 3.15Å
562D52.5Low46.8Very low142 Ų142138.5 Ų138.576%0.75972%0.718SS**THydrogen-bonded Turntrans-73.2-4.5-175.3-62.4-53.8000115.2
563K51.5Low47.6Very low181 Ų181137.3 Ų137.379%0.78770%0.703SS**THydrogen-bonded Turntrans-96.2-20-179.9-77.1175.8-179.61640114.5L561L561-K563 PolarHBondContact O-N 3.01Å; L561-K563 VanDerWaalsContact O-N 3.15Å
564E45.7Very low48.4Very low137 Ų137134.4 Ų134.464%0.6470%0.695SS**THydrogen-bonded Turntrans-85.5-39.3-175.8-165.1158.9-154.600111.7K566 A567E564-K566 PolarHBondContact O-N 3.5Å; E564-A567 PolarHBondContact O-N 3.09Å; E564-A567 VanDerWaalsContact O-N 3.14Å
565L51.8Low48.9Very low137 Ų137136.2 Ų136.272%0.71769%0.693SS**THydrogen-bonded Turntrans-65.71.7178.5-69.9173.4000115.4
566K47.5Very low49.9Very low179 Ų179137.2 Ų137.278%0.77870%0.699SS**THydrogen-bonded Turntrans-123.16.7177.2-147.9166.1-173171.40114.2E564E564-K566 PolarHBondContact O-N 3.5Å
567A42.8Very low50.9Low68 Ų68131.9 Ų131.956%0.56267%0.67SS**THydrogen-bonded Turntrans-98.1-19.9172.800000112.9E564 E569E564-A567 PolarHBondContact O-N 3.09Å; E564-A567 VanDerWaalsContact O-N 3.14Å; A567-E569 PolarHBondContact O-N 3.47Å
568I47Very low52.4Low135 Ų135125.8 Ų125.869%0.69265%0.65SS**SBendtrans-87.830.7-178.1-32.3179.9000112.1
569E48.4Very low54.2Low170 Ų170124 Ų12479%0.79465%0.653SS**  trans-113.129.8170.1-150.4171.2-146.300109.9A567A567-E569 PolarHBondContact O-N 3.47Å
570S44.8Very low55.7Low78 Ų78124 Ų12455%0.54565%0.648SS.*SBendtrans-125.384.5-172.8173.70000112.4N572S570-N572 PolarHBondContact O-N 3.26Å
571N49.3Very low57.5Low147 Ų147123.6 Ų123.679%0.78664%0.643SS**SBendtrans58.846155.1-56.7-84.1000116.7
572N48.6Very low59.3Low137 Ų137121.6 Ų121.673%0.73363%0.629SS**  trans-138.39166.6-96.2-32.4000114.6S570 D574 E575S570-N572 PolarHBondContact O-N 3.26Å; N572-D574 PolarHBondContact O-N 3.07Å; N572-D574 VanDerWaalsContact O-N 3.07Å; N572-E575 PolarHBondContact O-N 3.43Å
573D51.8Low61.1Low88 Ų88121.4 Ų121.447%0.47163%0.625SS.*Hα-helixtrans-63.9-16.2-173.6-56-68.5000115.2E575 L577D573-E575 VanDerWaalsContact C-N 3.34Å; D573-E575 PolarHBondContact O-N 3Å; D573-L577 HydrophobicContact CB-CD1 4.45Å; D573-L577 WeakPolarHBondContact O-CD1 3.46Å; D573-L577 WeakPolarHBondContact O-CG 3.3Å
574D55.8Low63Low107 Ų107117 Ų11757%0.57261%0.607SS**Hα-helixtrans-77.8-12.6-175.6-82-38.1000114.3N572 K582 R585N572-D574 PolarHBondContact O-N 3.07Å; N572-D574 VanDerWaalsContact O-N 3.07Å; D574-K582 WeakPolarHBondContact O-CE 3.24Å; D574-K582 PolarHBondContact O-NZ 3.17Å; D574-R585 IonicContact OD1-CZ 4Å; D574-R585 IonicContact OD1-NH1 3.75Å; D574-R585 PolarHBondContact OD1-NH1 2.79Å
575E56.1Low65.2Low157 Ų157116 Ų11673%0.73460%0.597SS**Hα-helixtrans-82.9-60.7175.9-68.1-58.7141.300112N572 D573 L577 K582N572-E575 PolarHBondContact O-N 3.43Å; D573-E575 VanDerWaalsContact C-N 3.34Å; D573-E575 PolarHBondContact O-N 3Å; E575-L577 PolarHBondContact O-N 3.26Å; E575-K582 PolarHBondContact O-NZ 2.92Å
576D60.9Low67.3Low163 Ų163111.6 Ų111.687%0.87257%0.573SS**Hα-helixtrans-77.4-8.9-171.6-85.4-37.1000116.2S578D576-S578 PolarHBondContact O-N 3.42Å
577L68.4Low69.6Low35 Ų35109.8 Ų109.818%0.18356%0.562CS.*SBendtrans-62.6129.1178.1-78.8167.6000112.1D573 E575 Q581 K582D573-L577 HydrophobicContact CB-CD1 4.45Å; D573-L577 WeakPolarHBondContact O-CD1 3.46Å; D573-L577 WeakPolarHBondContact O-CG 3.3Å; E575-L577 PolarHBondContact O-N 3.26Å; L577-Q581 HydrophobicContact CB-CB 4.43Å; L577-Q581 HydrophobicContact CD2-CB 3.84Å; L577-Q581 HydrophobicContact CD2-CG 4.37Å; L577-K582 HydrophobicContact CB-CD 4.32Å; L577-K582 HydrophobicContact CB-CG 3.81Å; L577-K582 WeakPolarHBondContact O-CD 3.41Å; L577-K582 WeakPolarHBondContact O-CE 3.25Å; L577-K582 PolarHBondContact O-NZ 2.79Å
578S79Confident72.1Confident47 Ų47112.7 Ų112.733%0.32956%0.564SS.*  trans-52.5144.6173.71690000111D576 E580 Q581 K582D576-S578 PolarHBondContact O-N 3.42Å; S578-E580 PolarHBondContact O-N 3.19Å; S578-E580 PolarHBondContact OG-N 3.25Å; S578-Q581 PolarHBondContact O-N 2.81Å; S578-K582 PolarHBondContact O-N 3.44Å
579P81.3Confident74.5Confident107 Ų107114.3 Ų114.370%0.69556%0.561SS**Hα-helixtrans-51-30.3173.4-28.235.8000113.9M583P579-M583 WeakPolarHBondContact O-CB 3.42Å; P579-M583 PolarHBondContact O-N 2.94Å
580E84.1Confident76.8Confident153 Ų153113.9 Ų113.972%0.71555%0.552SS**Hα-helixtrans-70-44.1175-173.8170.1-155.100112.3S578 M583 E584S578-E580 PolarHBondContact O-N 3.19Å; S578-E580 PolarHBondContact OG-N 3.25Å; E580-M583 WeakPolarHBondContact O-CB 3.34Å; E580-M583 PolarHBondContact O-N 2.96Å; E580-E584 PolarHBondContact O-N 3.41Å
581Q89.4Confident79.3Confident107 Ų107115.1 Ų115.150%0.555%0.55SS.*Hα-helixtrans-67.5-38.6175.8-64.2167.5-49.400111.5L577 S578 M583 E584 R585L577-Q581 HydrophobicContact CB-CB 4.43Å; L577-Q581 HydrophobicContact CD2-CB 3.84Å; L577-Q581 HydrophobicContact CD2-CG 4.37Å; S578-Q581 PolarHBondContact O-N 2.81Å; Q581-M583 VanDerWaalsContact C-N 3.28Å; Q581-M583 PolarHBondContact O-N 3.43Å; Q581-E584 PolarHBondContact O-N 2.95Å; Q581-R585 WeakPolarHBondContact O-CB 3.45Å; Q581-R585 PolarHBondContact O-N 3.45Å
582K89.4Confident81.6Confident79 Ų79109.8 Ų109.834%0.34353%0.527SS..Hα-helixtrans-61.2-37.5171.9-69.8177.9175.4167.30111.1D574 E575 L577 S578 E586D574-K582 WeakPolarHBondContact O-CE 3.24Å; D574-K582 PolarHBondContact O-NZ 3.17Å; E575-K582 PolarHBondContact O-NZ 2.92Å; L577-K582 HydrophobicContact CB-CD 4.32Å; L577-K582 HydrophobicContact CB-CG 3.81Å; L577-K582 WeakPolarHBondContact O-CD 3.41Å; L577-K582 WeakPolarHBondContact O-CE 3.25Å; L577-K582 PolarHBondContact O-NZ 2.79Å; S578-K582 PolarHBondContact O-N 3.44Å; K582-E586 WeakPolarHBondContact O-CB 3.36Å; K582-E586 PolarHBondContact O-N 2.83Å
583M88.8Confident84Confident137 Ų137108.3 Ų108.368%0.67552%0.519SS*.Hα-helixtrans-68-45.2174.6-168.4-175.4-54.300112.8P579 E580 Q581 E586 R587P579-M583 WeakPolarHBondContact O-CB 3.42Å; P579-M583 PolarHBondContact O-N 2.94Å; E580-M583 WeakPolarHBondContact O-CB 3.34Å; E580-M583 PolarHBondContact O-N 2.96Å; Q581-M583 VanDerWaalsContact C-N 3.28Å; Q581-M583 PolarHBondContact O-N 3.43Å; M583-E586 PolarHBondContact O-N 2.94Å; M583-R587 WeakPolarHBondContact O-CB 3.04Å; M583-R587 PolarHBondContact O-N 3.21Å
584E92Very high86.2Confident88 Ų88108 Ų10841%0.41152%0.517SS..Hα-helixtrans-70.9-36.8-179-16761.5-158.900111.9E580 Q581 E586 R587 E588E580-E584 PolarHBondContact O-N 3.41Å; Q581-E584 PolarHBondContact O-N 2.95Å; E584-E586 VanDerWaalsContact C-N 3.31Å; E584-E586 PolarHBondContact O-N 3.49Å; E584-R587 VanDerWaalsContact CD-CD 3.47Å; E584-R587 WeakPolarHBondContact O-CB 3.23Å; E584-R587 PolarHBondContact O-N 3.45Å; E584-R587 VanDerWaalsContact O-N 3.17Å; E584-R587 VanDerWaalsContact OE1-CD 3.3Å; E584-R587 WeakPolarHBondContact OE1-CD 3.35Å; E584-R587 IonicContact OE1-CZ 2.7Å; E584-R587 IonicContact OE1-NE 2.76Å; E584-R587 IonicContact OE1-NH1 3.07Å; E584-R587 PolarHBondContact OE1-NH1 3.11Å; E584-R587 WeakPolarHBondContact OE2-CD 3.38Å; E584-R587 IonicContact OE2-CZ 2.68Å; E584-R587 IonicContact OE2-NE 3.55Å; E584-R587 IonicContact OE2-NH1 2.7Å; E584-R587 PolarHBondContact OE2-NH1 2.96Å; E584-E588 PolarHBondContact O-N 2.98Å
585R91.6Very high88.3Confident116 Ų116105.4 Ų105.444%0.43851%0.511SS..Hα-helixtrans-57.6-42.5169.2-178-175.6-82-172.2-6.7111.4D574 Q581 E588 R589D574-R585 IonicContact OD1-CZ 4Å; D574-R585 IonicContact OD1-NH1 3.75Å; D574-R585 PolarHBondContact OD1-NH1 2.79Å; Q581-R585 WeakPolarHBondContact O-CB 3.45Å; Q581-R585 PolarHBondContact O-N 3.45Å; R585-E588 PolarHBondContact O-N 3.15Å; R585-R589 WeakPolarHBondContact O-CB 3.47Å; R585-R589 PolarHBondContact O-N 2.85Å
586E95.4Very high90.3Very high45 Ų45106.3 Ų106.321%0.2151%0.507CS..Hα-helixtrans-69.5-35.5176.1174.559.1177.700112.8K582 M583 E584 R589 R590K582-E586 WeakPolarHBondContact O-CB 3.36Å; K582-E586 PolarHBondContact O-N 2.83Å; M583-E586 PolarHBondContact O-N 2.94Å; E584-E586 VanDerWaalsContact C-N 3.31Å; E584-E586 PolarHBondContact O-N 3.49Å; E586-R589 PolarHBondContact O-N 2.9Å; E586-R589 IonicContact OE1-CZ 2.82Å; E586-R589 IonicContact OE1-NE 3.66Å; E586-R589 IonicContact OE1-NH2 2.66Å; E586-R589 PolarHBondContact OE1-NH2 3.28Å; E586-R589 IonicContact OE2-CZ 2.75Å; E586-R589 IonicContact OE2-NE 3.62Å; E586-R589 PolarHBondContact OE2-NE 3.13Å; E586-R589 IonicContact OE2-NH2 3.69Å; E586-R589 PolarHBondContact OE2-NH2 3.45Å; E586-R590 VanDerWaalsContact O-CG 3.31Å; E586-R590 WeakPolarHBondContact O-CG 3.48Å; E586-R590 PolarHBondContact O-N 2.87Å; E586-R590 IonicContact OE1-CZ 3.93Å; E586-R590 IonicContact OE1-NE 3.87Å; E586-R590 PolarHBondContact OE1-NE 2.9Å; E586-R590 IonicContact OE1-NH2 3.28Å; E586-R590 PolarHBondContact OE1-NH2 3.28Å
587R96.2Very high92.1Very high141 Ų141102 Ų10253%0.53248%0.482SS..Hα-helixtrans-63.7-46.7173.5-171.2-164-172.8172.60110.9M583 E584 R590 M591M583-R587 WeakPolarHBondContact O-CB 3.04Å; M583-R587 PolarHBondContact O-N 3.21Å; E584-R587 VanDerWaalsContact CD-CD 3.47Å; E584-R587 WeakPolarHBondContact O-CB 3.23Å; E584-R587 PolarHBondContact O-N 3.45Å; E584-R587 VanDerWaalsContact O-N 3.17Å; E584-R587 VanDerWaalsContact OE1-CD 3.3Å; E584-R587 WeakPolarHBondContact OE1-CD 3.35Å; E584-R587 IonicContact OE1-CZ 2.7Å; E584-R587 IonicContact OE1-NE 2.76Å; E584-R587 IonicContact OE1-NH1 3.07Å; E584-R587 PolarHBondContact OE1-NH1 3.11Å; E584-R587 WeakPolarHBondContact OE2-CD 3.38Å; E584-R587 IonicContact OE2-CZ 2.68Å; E584-R587 IonicContact OE2-NE 3.55Å; E584-R587 IonicContact OE2-NH1 2.7Å; E584-R587 PolarHBondContact OE2-NH1 2.96Å; R587-R590 PolarHBondContact O-N 3.43Å; R587-M591 HydrophobicContact CG-CE 4.19Å; R587-M591 WeakPolarHBondContact O-CG 3.32Å; R587-M591 PolarHBondContact O-N 3Å
588E95.9Very high93.5Very high130 Ų130108.5 Ų108.561%0.60750%0.504SS*.Hα-helixtrans-61.1-45.9175.3-171.4-179.3-160.400111.2E584 R585 R590 M591 A592E584-E588 PolarHBondContact O-N 2.98Å; R585-E588 PolarHBondContact O-N 3.15Å; E588-R590 VanDerWaalsContact C-N 3.25Å; E588-R590 PolarHBondContact O-N 3.38Å; E588-M591 HydrophobicContact CB-CE 4.44Å; E588-M591 PolarHBondContact O-N 2.82Å; E588-M591 VanDerWaalsContact O-N 3.07Å; E588-A592 WeakPolarHBondContact O-CB 3.36Å; E588-A592 PolarHBondContact O-N 3.43Å
589R97.1Very high94.5Very high168 Ų168109.9 Ų109.963%0.63451%0.508SS*.Hα-helixtrans-53.9-42.9174.6-168.7177.471.9148.81.1111.6R585 E586 N593R585-R589 WeakPolarHBondContact O-CB 3.47Å; R585-R589 PolarHBondContact O-N 2.85Å; E586-R589 PolarHBondContact O-N 2.9Å; E586-R589 IonicContact OE1-CZ 2.82Å; E586-R589 IonicContact OE1-NE 3.66Å; E586-R589 IonicContact OE1-NH2 2.66Å; E586-R589 PolarHBondContact OE1-NH2 3.28Å; E586-R589 IonicContact OE2-CZ 2.75Å; E586-R589 IonicContact OE2-NE 3.62Å; E586-R589 PolarHBondContact OE2-NE 3.13Å; E586-R589 IonicContact OE2-NH2 3.69Å; E586-R589 PolarHBondContact OE2-NH2 3.45Å; R589-N593 VanDerWaalsContact O-CB 3.31Å; R589-N593 WeakPolarHBondContact O-CB 3.49Å; R589-N593 PolarHBondContact O-N 3.49Å
590R97.9Very high95.3Very high162 Ų162111.6 Ų111.661%0.61150%0.5SS*.Hα-helixtrans-69.1-40.7175.8-71.2172.6-171.8169.75.1112.8E586 R587 E588 N593 N594E586-R590 VanDerWaalsContact O-CG 3.31Å; E586-R590 WeakPolarHBondContact O-CG 3.48Å; E586-R590 PolarHBondContact O-N 2.87Å; E586-R590 IonicContact OE1-CZ 3.93Å; E586-R590 IonicContact OE1-NE 3.87Å; E586-R590 PolarHBondContact OE1-NE 2.9Å; E586-R590 IonicContact OE1-NH2 3.28Å; E586-R590 PolarHBondContact OE1-NH2 3.28Å; R587-R590 PolarHBondContact O-N 3.43Å; E588-R590 VanDerWaalsContact C-N 3.25Å; E588-R590 PolarHBondContact O-N 3.38Å; R590-N593 PolarHBondContact O-N 3.23Å; R590-N594 WeakPolarHBondContact O-CB 3.38Å; R590-N594 PolarHBondContact O-N 2.99Å
591M97.1Very high96Very high103 Ų103107.1 Ų107.151%0.50748%0.483SS..Hα-helixtrans-63.4-46.6175.7-70.4-171-64.500111.5R587 E588 N593 N594 A595R587-M591 HydrophobicContact CG-CE 4.19Å; R587-M591 WeakPolarHBondContact O-CG 3.32Å; R587-M591 PolarHBondContact O-N 3Å; E588-M591 HydrophobicContact CB-CE 4.44Å; E588-M591 PolarHBondContact O-N 2.82Å; E588-M591 VanDerWaalsContact O-N 3.07Å; M591-N593 VanDerWaalsContact C-N 3.31Å; M591-N593 PolarHBondContact O-N 3.31Å; M591-N594 PolarHBondContact O-N 3.49Å; M591-A595 WeakPolarHBondContact O-CB 3.22Å; M591-A595 PolarHBondContact O-N 2.91Å
592A97.5Very high96.4Very high35 Ų35108.5 Ų108.529%0.28948%0.484SS..Hα-helixtrans-68.1-26.8178.300000113.4E588 R596E588-A592 WeakPolarHBondContact O-CB 3.36Å; E588-A592 PolarHBondContact O-N 3.43Å; A592-R596 WeakPolarHBondContact O-CG 3.28Å; A592-R596 PolarHBondContact O-N 2.91Å; A592-R596 PolarHBondContact O-NE 3.49Å
593N98.4Very high96.9Very high107 Ų107109 Ų10957%0.57249%0.49SS*.Hα-helixtrans-73.7-48.9169.7-171.2-51.7000110.8R589 R590 M591 A595 R596 E597R589-N593 VanDerWaalsContact O-CB 3.31Å; R589-N593 WeakPolarHBondContact O-CB 3.49Å; R589-N593 PolarHBondContact O-N 3.49Å; R590-N593 PolarHBondContact O-N 3.23Å; M591-N593 VanDerWaalsContact C-N 3.31Å; M591-N593 PolarHBondContact O-N 3.31Å; N593-A595 VanDerWaalsContact C-N 3.29Å; N593-A595 PolarHBondContact O-N 3.31Å; N593-R596 PolarHBondContact O-N 3.49Å; N593-E597 PolarHBondContact O-N 3.28Å
594N98.6Very high97.4Very high81 Ų81105.6 Ų105.643%0.43347%0.474SS..Hα-helixtrans-60.3-36.9178.5-165.1-105.5000112.6R590 M591 R598R590-N594 WeakPolarHBondContact O-CB 3.38Å; R590-N594 PolarHBondContact O-N 2.99Å; M591-N594 PolarHBondContact O-N 3.49Å; N594-R598 WeakPolarHBondContact O-CB 3.39Å; N594-R598 VanDerWaalsContact O-CG 3.25Å; N594-R598 WeakPolarHBondContact O-CG 3.44Å; N594-R598 PolarHBondContact O-N 2.9Å; N594-R598 PolarHBondContact OD1-NE 2.97Å; N594-R598 PolarHBondContact OD1-NH2 2.91Å; N594-R598 VanDerWaalsContact OD1-NH2 3.11Å
595A98.7Very high97.7Very high52 Ų52104.1 Ų104.143%0.4347%0.469SS..Hα-helixtrans-63.1-42.5173.200000112.5M591 N593 R598 L599M591-A595 WeakPolarHBondContact O-CB 3.22Å; M591-A595 PolarHBondContact O-N 2.91Å; N593-A595 VanDerWaalsContact C-N 3.29Å; N593-A595 PolarHBondContact O-N 3.31Å; A595-R598 PolarHBondContact O-N 3.18Å; A595-L599 PolarHBondContact O-N 3.21Å; A595-L599 VanDerWaalsContact O-N 3.17Å
596R98.6Very high98Very high177 Ų177104.7 Ų104.767%0.66848%0.477SS*.Hα-helixtrans-66.1-42176.3-79.7-179.8-102.9-152.2-4.6112.5A592 N593 L599 R600A592-R596 WeakPolarHBondContact O-CG 3.28Å; A592-R596 PolarHBondContact O-N 2.91Å; A592-R596 PolarHBondContact O-NE 3.49Å; N593-R596 PolarHBondContact O-N 3.49Å; R596-L599 WeakPolarHBondContact O-CB 3.45Å; R596-L599 PolarHBondContact O-N 3Å; R596-R600 PolarHBondContact O-N 3.45Å
597E98.6Very high98.1Very high73 Ų73105.5 Ų105.534%0.34149%0.491SS..Hα-helixtrans-69.6-33.8176.8-174.560.1-173.100112.1N593 L599 R600 V601N593-E597 PolarHBondContact O-N 3.28Å; E597-L599 VanDerWaalsContact C-N 3.27Å; E597-L599 PolarHBondContact O-N 3.28Å; E597-R600 PolarHBondContact O-N 3.35Å; E597-R600 IonicContact OE1-NH1 2.68Å; E597-R600 PolarHBondContact OE1-NH1 3.01Å; E597-R600 WeakPolarHBondContact OE2-CD 3.29Å; E597-R600 IonicContact OE2-CZ 3.42Å; E597-R600 IonicContact OE2-NE 3.12Å; E597-R600 IonicContact OE2-NH1 2.92Å; E597-R600 PolarHBondContact OE2-NH1 3.5Å; E597-V601 HydrophobicContact CG-CG2 4.21Å; E597-V601 WeakPolarHBondContact O-CB 3.31Å; E597-V601 VanDerWaalsContact O-CG2 3.3Å; E597-V601 WeakPolarHBondContact O-CG2 3.48Å; E597-V601 PolarHBondContact O-N 3.15Å
598R98.6Very high98.2Very high170 Ų170100.7 Ų100.764%0.64247%0.474SS*.Hα-helixtrans-62.9-30.2170.9-75.8174.9-167.5-111.53.2113.6N594 A595 R602N594-R598 WeakPolarHBondContact O-CB 3.39Å; N594-R598 VanDerWaalsContact O-CG 3.25Å; N594-R598 WeakPolarHBondContact O-CG 3.44Å; N594-R598 PolarHBondContact O-N 2.9Å; N594-R598 PolarHBondContact OD1-NE 2.97Å; N594-R598 PolarHBondContact OD1-NH2 2.91Å; N594-R598 VanDerWaalsContact OD1-NH2 3.11Å; A595-R598 PolarHBondContact O-N 3.18Å; R598-R602 WeakPolarHBondContact O-CB 3.25Å; R598-R602 PolarHBondContact O-N 2.84Å
599L98.6Very high98.3Very high77 Ų77101.8 Ų101.840%0.40348%0.477SS..Hα-helixtrans-70-58.9170.7-73.7158.2000109.5A595 R596 E597 V601 R602 D603A595-L599 PolarHBondContact O-N 3.21Å; A595-L599 VanDerWaalsContact O-N 3.17Å; R596-L599 WeakPolarHBondContact O-CB 3.45Å; R596-L599 PolarHBondContact O-N 3Å; E597-L599 VanDerWaalsContact C-N 3.27Å; E597-L599 PolarHBondContact O-N 3.28Å; L599-V601 VanDerWaalsContact C-N 3.28Å; L599-V601 PolarHBondContact O-N 3.17Å; L599-V601 VanDerWaalsContact O-N 3.15Å; L599-R602 WeakPolarHBondContact O-CA 3.5Å; L599-R602 VanDerWaalsContact O-CB 3.22Å; L599-R602 WeakPolarHBondContact O-CB 3.24Å; L599-R602 PolarHBondContact O-N 2.98Å; L599-D603 PolarHBondContact O-N 3.03Å
600R98.8Very high98.4Very high142 Ų14298 Ų9854%0.53647%0.466SS..Hα-helixtrans-51.4-42.5179.5176.4167.9167.6-94.4-2.9113.6R596 E597 D603 I604R596-R600 PolarHBondContact O-N 3.45Å; E597-R600 PolarHBondContact O-N 3.35Å; E597-R600 IonicContact OE1-NH1 2.68Å; E597-R600 PolarHBondContact OE1-NH1 3.01Å; E597-R600 WeakPolarHBondContact OE2-CD 3.29Å; E597-R600 IonicContact OE2-CZ 3.42Å; E597-R600 IonicContact OE2-NE 3.12Å; E597-R600 IonicContact OE2-NH1 2.92Å; E597-R600 PolarHBondContact OE2-NH1 3.5Å; R600-D603 PolarHBondContact O-N 3.44Å; R600-I604 HydrophobicContact CG-CD1 3.92Å; R600-I604 WeakPolarHBondContact O-CB 3.48Å; R600-I604 WeakPolarHBondContact O-CD1 3.44Å; R600-I604 VanDerWaalsContact O-CG1 3.23Å; R600-I604 WeakPolarHBondContact O-CG1 3.34Å; R600-I604 PolarHBondContact O-N 3.06Å
601V98.8Very high98.4Very high60 Ų6093.2 Ų93.236%0.36445%0.452SS..Hα-helixtrans-67-35.2176169.70000112.3E597 L599 N605E597-V601 HydrophobicContact CG-CG2 4.21Å; E597-V601 WeakPolarHBondContact O-CB 3.31Å; E597-V601 VanDerWaalsContact O-CG2 3.3Å; E597-V601 WeakPolarHBondContact O-CG2 3.48Å; E597-V601 PolarHBondContact O-N 3.15Å; L599-V601 VanDerWaalsContact C-N 3.28Å; L599-V601 PolarHBondContact O-N 3.17Å; L599-V601 VanDerWaalsContact O-N 3.15Å; V601-N605 WeakPolarHBondContact O-CB 3.31Å; V601-N605 PolarHBondContact O-N 3Å; V601-N605 PolarHBondContact O-ND2 3.1Å
602R98.6Very high98.4Very high135 Ų13588.4 Ų88.451%0.50943%0.429SS..Hα-helixtrans-65.2-48174.1-171.1-161.9-50.7151.18.7110.7R598 L599 I604 N605 E606R598-R602 WeakPolarHBondContact O-CB 3.25Å; R598-R602 PolarHBondContact O-N 2.84Å; L599-R602 WeakPolarHBondContact O-CA 3.5Å; L599-R602 VanDerWaalsContact O-CB 3.22Å; L599-R602 WeakPolarHBondContact O-CB 3.24Å; L599-R602 PolarHBondContact O-N 2.98Å; R602-I604 VanDerWaalsContact C-N 3.34Å; R602-I604 PolarHBondContact O-N 3.02Å; R602-N605 CarbonylContact O-C 3.53Å; R602-N605 WeakPolarHBondContact O-CA 3.48Å; R602-N605 WeakPolarHBondContact O-CB 3.45Å; R602-N605 PolarHBondContact O-N 3.31Å; R602-E606 PolarHBondContact O-N 3.28Å
603D98.8Very high98.4Very high89 Ų8992.9 Ų92.948%0.47644%0.438SS..Hα-helixtrans-64.5-41.2-176.5-49.2-21.8000110.4L599 R600 N605 E606 A607L599-D603 PolarHBondContact O-N 3.03Å; R600-D603 PolarHBondContact O-N 3.44Å; D603-N605 PolarHBondContact O-N 3.39Å; D603-E606 PolarHBondContact O-N 2.7Å; D603-A607 PolarHBondContact O-N 3.19Å
604I98.7Very high98.3Very high67 Ų6792.4 Ų92.434%0.34443%0.434SS..Hα-helixtrans-60.8-42.7170.4-70166000111.3R600 R602 E606 F608R600-I604 HydrophobicContact CG-CD1 3.92Å; R600-I604 WeakPolarHBondContact O-CB 3.48Å; R600-I604 WeakPolarHBondContact O-CD1 3.44Å; R600-I604 VanDerWaalsContact O-CG1 3.23Å; R600-I604 WeakPolarHBondContact O-CG1 3.34Å; R600-I604 PolarHBondContact O-N 3.06Å; R602-I604 VanDerWaalsContact C-N 3.34Å; R602-I604 PolarHBondContact O-N 3.02Å; I604-E606 VanDerWaalsContact C-N 3.28Å; I604-E606 PolarHBondContact O-N 3.46Å; I604-F608 HydrophobicContact CG2-CD2 3.94Å; I604-F608 HydrophobicContact CG2-CE2 4.15Å; I604-F608 WeakPolarHBondContact O-CB 3.41Å; I604-F608 WeakPolarHBondContact O-CD2 3.37Å; I604-F608 PolarHBondContact O-N 2.92Å
605N98.4Very high98.3Very high57 Ų5788.8 Ų88.831%0.30542%0.415SS..Hα-helixtrans-66-30.3176.8-70.5-26.2000112.6V601 R602 D603 K609 K627V601-N605 WeakPolarHBondContact O-CB 3.31Å; V601-N605 PolarHBondContact O-N 3Å; V601-N605 PolarHBondContact O-ND2 3.1Å; R602-N605 CarbonylContact O-C 3.53Å; R602-N605 WeakPolarHBondContact O-CA 3.48Å; R602-N605 WeakPolarHBondContact O-CB 3.45Å; R602-N605 PolarHBondContact O-N 3.31Å; D603-N605 PolarHBondContact O-N 3.39Å; N605-K609 WeakPolarHBondContact O-CG 3.48Å; N605-K609 PolarHBondContact O-N 3.15Å; N605-K627 WeakPolarHBondContact OD1-CE 3.23Å; N605-K627 PolarHBondContact OD1-NZ 3.43Å
606E98.5Very high98.2Very high128 Ų12889.1 Ų89.160%0.59841%0.407SS*.Hα-helixtrans-74.7-46.9177.4-165.1160.9152.100111.3R602 D603 I604 F608 K609 E610R602-E606 PolarHBondContact O-N 3.28Å; D603-E606 PolarHBondContact O-N 2.7Å; I604-E606 VanDerWaalsContact C-N 3.28Å; I604-E606 PolarHBondContact O-N 3.46Å; E606-F608 PolarHBondContact O-N 2.94Å; E606-K609 WeakPolarHBondContact O-CB 3.23Å; E606-K609 PolarHBondContact O-N 3.12Å; E606-E610 PolarHBondContact O-N 3.08Å
607A98.5Very high98.1Very high61 Ų6187.1 Ų87.150%0.50441%0.409SS..Hα-helixtrans-56.9-36.8170.800000112.5D603 E610 L611D603-A607 PolarHBondContact O-N 3.19Å; A607-E610 PolarHBondContact O-N 3.16Å; A607-L611 WeakPolarHBondContact O-CB 3.3Å; A607-L611 PolarHBondContact O-N 3.3Å
608F98.5Very high97.9Very high41 Ų4188.4 Ų88.418%0.1842%0.415CS..Hα-helixtrans-65.4-36.3172.9-99.8-70.1000113.4I604 E606 G612 K627 I630 L631I604-F608 HydrophobicContact CG2-CD2 3.94Å; I604-F608 HydrophobicContact CG2-CE2 4.15Å; I604-F608 WeakPolarHBondContact O-CB 3.41Å; I604-F608 WeakPolarHBondContact O-CD2 3.37Å; I604-F608 PolarHBondContact O-N 2.92Å; E606-F608 PolarHBondContact O-N 2.94Å; F608-G612 PolarHBondContact O-N 3.46Å; F608-K627 HydrophobicContact CD1-CB 4.07Å; F608-K627 HydrophobicContact CD1-CG 3.97Å; F608-K627 HydrophobicContact CD2-CD 3.98Å; F608-K627 HydrophobicContact CD2-CG 4.16Å; F608-K627 HydrophobicContact CE1-CB 3.78Å; F608-K627 HydrophobicContact CE1-CG 4.13Å; F608-K627 WeakPolarHBondContact CE1-O 3.49Å; F608-K627 HydrophobicContact CE2-CB 4.47Å; F608-K627 HydrophobicContact CE2-CD 4Å; F608-K627 HydrophobicContact CE2-CG 4.31Å; F608-K627 HydrophobicContact CG-CD 4.32Å; F608-K627 HydrophobicContact CG-CG 3.99Å; F608-K627 HydrophobicContact CZ-CB 3.99Å; F608-K627 HydrophobicContact CZ-CD 4.35Å; F608-K627 HydrophobicContact CZ-CG 4.29Å; F608-I630 HydrophobicContact CD1-CB 4.2Å; F608-I630 HydrophobicContact CD1-CD1 4.04Å; F608-I630 HydrophobicContact CD1-CG2 4.11Å; F608-I630 HydrophobicContact CE1-CB 4.32Å; F608-I630 HydrophobicContact CE1-CG2 4.39Å; F608-I630 WeakPolarHBondContact O-CD1 3.22Å; F608-L631 HydrophobicContact CE1-CD2 3.88Å; F608-L631 HydrophobicContact CE1-CG 3.93Å; F608-L631 HydrophobicContact CZ-CD1 4.23Å; F608-L631 HydrophobicContact CZ-CD2 3.95Å; F608-L631 HydrophobicContact CZ-CG 4.06Å
609K97.4Very high97.7Very high153 Ų15383.7 Ų83.767%0.66540%0.402SS*.Hα-helixtrans-68.8-40.9175.3-70.1167.3-176.5177.30111.6N605 E606 G612 R613N605-K609 WeakPolarHBondContact O-CG 3.48Å; N605-K609 PolarHBondContact O-N 3.15Å; E606-K609 WeakPolarHBondContact O-CB 3.23Å; E606-K609 PolarHBondContact O-N 3.12Å; K609-G612 PolarHBondContact O-N 3.5Å; K609-R613 PolarHBondContact O-N 2.95Å; K609-R613 VanDerWaalsContact O-N 3.09Å
610E97.9Very high97.5Very high89 Ų8989.4 Ų89.442%0.41642%0.424SS..Hα-helixtrans-59.4-55.3175.3-175.158-130.900110.7E606 A607 G612 R613 M614E606-E610 PolarHBondContact O-N 3.08Å; A607-E610 PolarHBondContact O-N 3.16Å; E610-G612 PolarHBondContact O-N 3.26Å; E610-R613 VanDerWaalsContact CD-NH1 3.28Å; E610-R613 PolarHBondContact O-N 2.88Å; E610-R613 IonicContact OE1-CZ 3.03Å; E610-R613 IonicContact OE1-NH1 2.76Å; E610-R613 PolarHBondContact OE1-NH1 2.78Å; E610-R613 IonicContact OE1-NH2 3.86Å; E610-R613 IonicContact OE2-CZ 3.8Å; E610-R613 IonicContact OE2-NH1 2.72Å; E610-R613 PolarHBondContact OE2-NH1 3.03Å; E610-R613 IonicContact OE2-NH2 3.98Å; E610-R613 PolarHBondContact OE2-NH2 3.04Å; E610-M614 WeakPolarHBondContact O-CG 3.49Å; E610-M614 PolarHBondContact O-N 2.99Å; E610-M614 VanDerWaalsContact O-N 3.07Å
611L98.3Very high97.1Very high60 Ų6084.2 Ų84.231%0.31441%0.409SS..Hα-helixtrans-59.4-43.9177.7-179.362.3000112A607 R613 M614 V615 I630 A634A607-L611 WeakPolarHBondContact O-CB 3.3Å; A607-L611 PolarHBondContact O-N 3.3Å; L611-R613 PolarHBondContact O-N 2.86Å; L611-M614 PolarHBondContact O-N 2.95Å; L611-V615 HydrophobicContact CD1-CG2 4.08Å; L611-V615 HydrophobicContact CG-CG2 4.36Å; L611-V615 WeakPolarHBondContact O-CB 3.44Å; L611-V615 VanDerWaalsContact O-CG2 3.25Å; L611-V615 WeakPolarHBondContact O-CG2 3.42Å; L611-V615 PolarHBondContact O-N 3.42Å; L611-I630 HydrophobicContact CB-CG2 4.18Å; L611-I630 HydrophobicContact CD2-CG2 3.8Å; L611-I630 HydrophobicContact CG-CG2 3.69Å; L611-A634 HydrophobicContact CD1-CB 4.23Å; L611-A634 HydrophobicContact CD2-CB 4.43Å
612G97.8Very high96.7Very high2 Ų288.3 Ų88.32%0.02143%0.429CS..Hα-helixtrans-53.6-51.1176.500000111.9F608 K609 E610 M614 V615 Q616 Q625F608-G612 PolarHBondContact O-N 3.46Å; K609-G612 PolarHBondContact O-N 3.5Å; E610-G612 PolarHBondContact O-N 3.26Å; G612-M614 PolarHBondContact O-N 2.79Å; G612-V615 PolarHBondContact O-N 3.17Å; G612-Q616 VanDerWaalsContact O-CB 3.24Å; G612-Q616 WeakPolarHBondContact O-CB 3.49Å; G612-Q616 PolarHBondContact O-N 3.44Å; G612-Q625 PolarHBondContact O-OE1 3.29Å
613R97.2Very high96.3Very high129 Ų12988.5 Ų88.549%0.48743%0.433SS..Hα-helixtrans-62.5-41.6178.5-158.9-149.6-43.6102.92.8112.9K609 E610 L611 V615 Q616 L617K609-R613 PolarHBondContact O-N 2.95Å; K609-R613 VanDerWaalsContact O-N 3.09Å; E610-R613 VanDerWaalsContact CD-NH1 3.28Å; E610-R613 PolarHBondContact O-N 2.88Å; E610-R613 IonicContact OE1-CZ 3.03Å; E610-R613 IonicContact OE1-NH1 2.76Å; E610-R613 PolarHBondContact OE1-NH1 2.78Å; E610-R613 IonicContact OE1-NH2 3.86Å; E610-R613 IonicContact OE2-CZ 3.8Å; E610-R613 IonicContact OE2-NH1 2.72Å; E610-R613 PolarHBondContact OE2-NH1 3.03Å; E610-R613 IonicContact OE2-NH2 3.98Å; E610-R613 PolarHBondContact OE2-NH2 3.04Å; L611-R613 PolarHBondContact O-N 2.86Å; R613-V615 VanDerWaalsContact C-N 3.34Å; R613-Q616 PolarHBondContact O-N 3.37Å; R613-L617 WeakPolarHBondContact O-CB 3.38Å; R613-L617 PolarHBondContact O-N 3.21Å
614M97.4Very high95.9Very high98 Ų9890.2 Ų90.248%0.48345%0.45SS..Hα-helixtrans-60.9-44.7175.8-70.2-176.271.200111.4E610 L611 G612 L617 H618E610-M614 WeakPolarHBondContact O-CG 3.49Å; E610-M614 PolarHBondContact O-N 2.99Å; E610-M614 VanDerWaalsContact O-N 3.07Å; L611-M614 PolarHBondContact O-N 2.95Å; G612-M614 PolarHBondContact O-N 2.79Å; M614-L617 PolarHBondContact O-N 3.4Å; M614-H618 PolarHBondContact O-CD2 2.9Å; M614-H618 VanDerWaalsContact O-CD2 3.25Å; M614-H618 PolarHBondContact O-N 3.07Å
615V97.7Very high95.6Very high4 Ų489.2 Ų89.22%0.02444%0.443CS..Hα-helixtrans-67-42.4178.3170.10000111.7L611 G612 R613 L617 H618 L619 Q633 A634 V637L611-V615 HydrophobicContact CD1-CG2 4.08Å; L611-V615 HydrophobicContact CG-CG2 4.36Å; L611-V615 WeakPolarHBondContact O-CB 3.44Å; L611-V615 VanDerWaalsContact O-CG2 3.25Å; L611-V615 WeakPolarHBondContact O-CG2 3.42Å; L611-V615 PolarHBondContact O-N 3.42Å; G612-V615 PolarHBondContact O-N 3.17Å; R613-V615 VanDerWaalsContact C-N 3.34Å; V615-L617 VanDerWaalsContact C-N 3.32Å; V615-L617 PolarHBondContact O-N 3.42Å; V615-H618 PolarHBondContact O-N 2.86Å; V615-L619 HydrophobicContact CG1-CD1 4.02Å; V615-L619 PolarHBondContact O-N 2.81Å; V615-Q633 HydrophobicContact CG1-CB 3.33Å; V615-A634 HydrophobicContact CG2-CB 3.75Å; V615-V637 HydrophobicContact CG1-CG2 4.2Å
616Q96.7Very high95.6Very high59 Ų5990.9 Ų90.928%0.27646%0.456SS..Hα-helixtrans-58.3-42.3175.9-169.7-174.3200111.4G612 R613 K620 S621 D622G612-Q616 VanDerWaalsContact O-CB 3.24Å; G612-Q616 WeakPolarHBondContact O-CB 3.49Å; G612-Q616 PolarHBondContact O-N 3.44Å; R613-Q616 PolarHBondContact O-N 3.37Å; Q616-K620 WeakPolarHBondContact O-CA 3.12Å; Q616-K620 PolarHBondContact O-N 3.26Å; Q616-S621 WeakPolarHBondContact CG-O 3.35Å; Q616-S621 PolarHBondContact O-N 3.41Å; Q616-D622 PolarHBondContact NE2-OD1 3.25Å
617L95.6Very high95.6Very high135 Ų13589.3 Ų89.371%0.70745%0.447SS*.Hα-helixtrans-62-45.6175.9-179.365.9000112.2R613 M614 V615R613-L617 WeakPolarHBondContact O-CB 3.38Å; R613-L617 PolarHBondContact O-N 3.21Å; M614-L617 PolarHBondContact O-N 3.4Å; V615-L617 VanDerWaalsContact C-N 3.32Å; V615-L617 PolarHBondContact O-N 3.42Å
618H95.7Very high95.6Very high100 Ų10091.7 Ų91.746%0.46345%0.451SS..Hα-helixtrans-70.2-37.2179-78.8-68.4000113.3M614 V615 V637M614-H618 PolarHBondContact O-CD2 2.9Å; M614-H618 VanDerWaalsContact O-CD2 3.25Å; M614-H618 PolarHBondContact O-N 3.07Å; V615-H618 PolarHBondContact O-N 2.86Å; H618-V637 HydrophobicContact CB-CB 4.41Å; H618-V637 HydrophobicContact CB-CG1 3.62Å; H618-V637 HydrophobicContact CB-CG2 3.8Å
619L94.8Very high95.5Very high71 Ų7192.6 Ų92.637%0.37246%0.457SS..Hα-helixtrans-85.3-8.5178.9-64.6-177000114.2V615 S621 Q633 V637V615-L619 HydrophobicContact CG1-CD1 4.02Å; V615-L619 PolarHBondContact O-N 2.81Å; L619-S621 PolarHBondContact O-N 3.41Å; L619-S621 VanDerWaalsContact O-N 3.17Å; L619-Q633 HydrophobicContact CD1-CB 3.63Å; L619-Q633 HydrophobicContact CD1-CG 3.68Å; L619-V637 HydrophobicContact CD1-CG2 4.17Å; L619-V637 HydrophobicContact CD2-CG2 3.65Å; L619-V637 HydrophobicContact CG-CG2 3.58Å
620K93.4Very high95.5Very high198 Ų19885.9 Ų85.986%0.86143%0.428SS*.THydrogen-bonded Turntrans51.235.5-176.7-53.6177.9-177177.60112.8Q616Q616-K620 WeakPolarHBondContact O-CA 3.12Å; Q616-K620 PolarHBondContact O-N 3.26Å
621S89.8Confident95.6Very high32 Ų3285.8 Ų85.822%0.22443%0.43CS..  trans-121.7104.3-167.9-158.40000111.2Q616 L619 K623Q616-S621 WeakPolarHBondContact CG-O 3.35Å; Q616-S621 PolarHBondContact O-N 3.41Å; L619-S621 PolarHBondContact O-N 3.41Å; L619-S621 VanDerWaalsContact O-N 3.17Å; S621-K623 PolarHBondContact O-N 2.75Å
622D91.2Very high95.5Very high146 Ų14688.8 Ų88.878%0.78144%0.443SS*.  trans-81.642.7-176.8-151.716.7000113.1Q616Q616-D622 PolarHBondContact NE2-OD1 3.25Å
623K90.6Very high95.5Very high139 Ų13990.2 Ų90.260%0.60445%0.448SS*.PPolyproline II helixtrans-92.5138.1-179.5-68.3-178.9179.3-179.50109.7S621 Q625S621-K623 PolarHBondContact O-N 2.75Å; K623-Q625 PolarHBondContact O-N 2.82Å
624P90.6Very high95.5Very high126 Ų12684.6 Ų84.682%0.81843%0.43SS*.PPolyproline II helixtrans-61.8122.617525.8-33.8000110.3
625Q92.6Very high95.6Very high45 Ų4584 Ų8421%0.2143%0.431CS..PPolyproline II helixtrans-98.6129.1-176-59.6168.5-38.700111.8G612 K623 I630G612-Q625 PolarHBondContact O-OE1 3.29Å; K623-Q625 PolarHBondContact O-N 2.82Å; Q625-I630 HydrophobicContact CB-CD1 4.1Å; Q625-I630 HydrophobicContact CB-CG1 3.54Å; Q625-I630 HydrophobicContact CG-CG1 4.28Å
626T97.8Very high95.6Very high92 Ų9286.3 Ų86.356%0.56445%0.451SS*.PPolyproline II helixtrans-80.1157.8161.966.40000109.8L628 L629 I630T626-L628 PolarHBondContact O-N 3.47Å; T626-L628 VanDerWaalsContact O-N 3.16Å; T626-L629 WeakPolarHBondContact O-CA 3.43Å; T626-L629 WeakPolarHBondContact O-CB 3.36Å; T626-L629 PolarHBondContact O-N 3.11Å; T626-L629 PolarHBondContact OG1-N 3.43Å; T626-I630 WeakPolarHBondContact O-CG1 3.46Å; T626-I630 PolarHBondContact O-N 2.8Å
627K98.3Very high95.6Very high96 Ų9684 Ų8442%0.41744%0.441SS..Hα-helixtrans-49.7-43.4176.8-70.2-174.9175.8-176.80113.1N605 F608 I630 L631N605-K627 WeakPolarHBondContact OD1-CE 3.23Å; N605-K627 PolarHBondContact OD1-NZ 3.43Å; F608-K627 HydrophobicContact CD1-CB 4.07Å; F608-K627 HydrophobicContact CD1-CG 3.97Å; F608-K627 HydrophobicContact CD2-CD 3.98Å; F608-K627 HydrophobicContact CD2-CG 4.16Å; F608-K627 HydrophobicContact CE1-CB 3.78Å; F608-K627 HydrophobicContact CE1-CG 4.13Å; F608-K627 WeakPolarHBondContact CE1-O 3.49Å; F608-K627 HydrophobicContact CE2-CB 4.47Å; F608-K627 HydrophobicContact CE2-CD 4Å; F608-K627 HydrophobicContact CE2-CG 4.31Å; F608-K627 HydrophobicContact CG-CD 4.32Å; F608-K627 HydrophobicContact CG-CG 3.99Å; F608-K627 HydrophobicContact CZ-CB 3.99Å; F608-K627 HydrophobicContact CZ-CD 4.35Å; F608-K627 HydrophobicContact CZ-CG 4.29Å; K627-I630 WeakPolarHBondContact O-CB 3.47Å; K627-I630 PolarHBondContact O-N 3.22Å; K627-L631 PolarHBondContact O-N 3.49Å; K627-L631 VanDerWaalsContact O-N 3.15Å
628L97.9Very high95.7Very high111 Ų11181.7 Ų81.758%0.58143%0.428SS*.Hα-helixtrans-63.3-42.3177.6-178.460.2000111.7T626 L631 H632T626-L628 PolarHBondContact O-N 3.47Å; T626-L628 VanDerWaalsContact O-N 3.16Å; L628-L631 PolarHBondContact O-N 3.33Å; L628-H632 WeakPolarHBondContact CD1-NE2 3.39Å; L628-H632 PolarHBondContact O-CD2 3.18Å; L628-H632 PolarHBondContact O-N 3.42Å; L628-H632 VanDerWaalsContact O-N 3.1Å
629L97.3Very high95.8Very high60 Ų6081.8 Ų81.831%0.31443%0.432SS..Hα-helixtrans-65.8-37.4176.4-171.659.7000112T626 L631 H632 Q633T626-L629 WeakPolarHBondContact O-CA 3.43Å; T626-L629 WeakPolarHBondContact O-CB 3.36Å; T626-L629 PolarHBondContact O-N 3.11Å; T626-L629 PolarHBondContact OG1-N 3.43Å; L629-L631 VanDerWaalsContact C-N 3.33Å; L629-L631 PolarHBondContact O-N 3.41Å; L629-H632 PolarHBondContact O-N 3.3Å; L629-Q633 HydrophobicContact CD1-CG 4.01Å; L629-Q633 HydrophobicContact CG-CG 4.19Å; L629-Q633 VanDerWaalsContact O-CB 3.24Å; L629-Q633 WeakPolarHBondContact O-CB 3.32Å; L629-Q633 VanDerWaalsContact O-CG 3.29Å; L629-Q633 WeakPolarHBondContact O-CG 3.43Å; L629-Q633 PolarHBondContact O-N 2.83Å
630I97.9Very high95.9Very high12 Ų1281.5 Ų81.56%0.06244%0.435CS..Hα-helixtrans-58.2-45.5173.5-62.3173.9000110.4F608 L611 Q625 T626 K627 Q633 A634F608-I630 HydrophobicContact CD1-CB 4.2Å; F608-I630 HydrophobicContact CD1-CD1 4.04Å; F608-I630 HydrophobicContact CD1-CG2 4.11Å; F608-I630 HydrophobicContact CE1-CB 4.32Å; F608-I630 HydrophobicContact CE1-CG2 4.39Å; F608-I630 WeakPolarHBondContact O-CD1 3.22Å; L611-I630 HydrophobicContact CB-CG2 4.18Å; L611-I630 HydrophobicContact CD2-CG2 3.8Å; L611-I630 HydrophobicContact CG-CG2 3.69Å; Q625-I630 HydrophobicContact CB-CD1 4.1Å; Q625-I630 HydrophobicContact CB-CG1 3.54Å; Q625-I630 HydrophobicContact CG-CG1 4.28Å; T626-I630 WeakPolarHBondContact O-CG1 3.46Å; T626-I630 PolarHBondContact O-N 2.8Å; K627-I630 WeakPolarHBondContact O-CB 3.47Å; K627-I630 PolarHBondContact O-N 3.22Å; I630-Q633 PolarHBondContact O-N 3.15Å; I630-A634 VanDerWaalsContact O-CB 3.22Å; I630-A634 WeakPolarHBondContact O-CB 3.4Å; I630-A634 PolarHBondContact O-N 2.93Å
631L98.3Very high96Very high86 Ų8675.1 Ų75.145%0.4541%0.41SS..Hα-helixtrans-64-48.8178.7-64.5179.5000112.3F608 K627 L628 L629 Q633 A634 V635F608-L631 HydrophobicContact CE1-CD2 3.88Å; F608-L631 HydrophobicContact CE1-CG 3.93Å; F608-L631 HydrophobicContact CZ-CD1 4.23Å; F608-L631 HydrophobicContact CZ-CD2 3.95Å; F608-L631 HydrophobicContact CZ-CG 4.06Å; K627-L631 PolarHBondContact O-N 3.49Å; K627-L631 VanDerWaalsContact O-N 3.15Å; L628-L631 PolarHBondContact O-N 3.33Å; L629-L631 VanDerWaalsContact C-N 3.33Å; L629-L631 PolarHBondContact O-N 3.41Å; L631-Q633 VanDerWaalsContact C-N 3.34Å; L631-Q633 PolarHBondContact O-N 3.14Å; L631-A634 PolarHBondContact O-N 3.21Å; L631-V635 WeakPolarHBondContact O-CG2 3.3Å; L631-V635 PolarHBondContact O-N 2.93Å; L631-V635 VanDerWaalsContact O-N 3.13Å
632H97.4Very high96.3Very high124 Ų12478 Ų7857%0.57442%0.421SS*.Hα-helixtrans-61.5-41.9178-73.8-65.3000112.3L628 L629 A636L628-H632 WeakPolarHBondContact CD1-NE2 3.39Å; L628-H632 PolarHBondContact O-CD2 3.18Å; L628-H632 PolarHBondContact O-N 3.42Å; L628-H632 VanDerWaalsContact O-N 3.1Å; L629-H632 PolarHBondContact O-N 3.3Å; H632-A636 PolarHBondContact O-N 3.04Å
633Q97.3Very high96.5Very high31 Ų3174.8 Ų74.815%0.14540%0.401CS..Hα-helixtrans-71.1-34.2178.4-73-176.1-4.800112.3V615 L619 L629 I630 L631 A636 V637V615-Q633 HydrophobicContact CG1-CB 3.33Å; L619-Q633 HydrophobicContact CD1-CB 3.63Å; L619-Q633 HydrophobicContact CD1-CG 3.68Å; L629-Q633 HydrophobicContact CD1-CG 4.01Å; L629-Q633 HydrophobicContact CG-CG 4.19Å; L629-Q633 VanDerWaalsContact O-CB 3.24Å; L629-Q633 WeakPolarHBondContact O-CB 3.32Å; L629-Q633 VanDerWaalsContact O-CG 3.29Å; L629-Q633 WeakPolarHBondContact O-CG 3.43Å; L629-Q633 PolarHBondContact O-N 2.83Å; I630-Q633 PolarHBondContact O-N 3.15Å; L631-Q633 VanDerWaalsContact C-N 3.34Å; L631-Q633 PolarHBondContact O-N 3.14Å; Q633-A636 PolarHBondContact O-N 3.47Å; Q633-V637 WeakPolarHBondContact O-CG2 3.25Å; Q633-V637 PolarHBondContact O-N 3.28Å
634A98.3Very high96.6Very high11 Ų1171.3 Ų71.39%0.09139%0.387CS..Hα-helixtrans-60.3-46.417300000111.8L611 V615 I630 L631 A636 V637 I638L611-A634 HydrophobicContact CD1-CB 4.23Å; L611-A634 HydrophobicContact CD2-CB 4.43Å; V615-A634 HydrophobicContact CG2-CB 3.75Å; I630-A634 VanDerWaalsContact O-CB 3.22Å; I630-A634 WeakPolarHBondContact O-CB 3.4Å; I630-A634 PolarHBondContact O-N 2.93Å; L631-A634 PolarHBondContact O-N 3.21Å; A634-A636 VanDerWaalsContact C-N 3.34Å; A634-A636 PolarHBondContact O-N 3.49Å; A634-V637 PolarHBondContact O-N 2.96Å; A634-I638 VanDerWaalsContact O-CG1 3.28Å; A634-I638 WeakPolarHBondContact O-CG1 3.45Å; A634-I638 PolarHBondContact O-N 2.88Å
635V98.3Very high96.8Very high85 Ų8569.4 Ų69.452%0.51537%0.373SS..Hα-helixtrans-60.5-43.7175.9174.10000111.1L631 V637 I638 L639L631-V635 WeakPolarHBondContact O-CG2 3.3Å; L631-V635 PolarHBondContact O-N 2.93Å; L631-V635 VanDerWaalsContact O-N 3.13Å; V635-V637 PolarHBondContact O-N 2.66Å; V635-I638 PolarHBondContact O-N 3.21Å; V635-L639 HydrophobicContact CG1-CD1 3.8Å; V635-L639 HydrophobicContact CG1-CG 4.36Å; V635-L639 WeakPolarHBondContact O-CB 3.42Å; V635-L639 VanDerWaalsContact O-CG 3.31Å; V635-L639 WeakPolarHBondContact O-CG 3.37Å; V635-L639 PolarHBondContact O-N 3.48Å
636A97.1Very high96.7Very high53 Ų5373.8 Ų73.844%0.43839%0.387SS..Hα-helixtrans-63.7-39.717700000113.2H632 Q633 A634 S640H632-A636 PolarHBondContact O-N 3.04Å; Q633-A636 PolarHBondContact O-N 3.47Å; A634-A636 VanDerWaalsContact C-N 3.34Å; A634-A636 PolarHBondContact O-N 3.49Å; A636-S640 WeakPolarHBondContact O-CB 3.48Å; A636-S640 PolarHBondContact O-N 3.41Å; A636-S640 VanDerWaalsContact O-N 3.08Å
637V98Very high96.2Very high10 Ų1074.8 Ų74.86%0.06139%0.386CS..Hα-helixtrans-64.1-47.9174.51670000111V615 H618 L619 Q633 A634 V635 S640 L641V615-V637 HydrophobicContact CG1-CG2 4.2Å; H618-V637 HydrophobicContact CB-CB 4.41Å; H618-V637 HydrophobicContact CB-CG1 3.62Å; H618-V637 HydrophobicContact CB-CG2 3.8Å; L619-V637 HydrophobicContact CD1-CG2 4.17Å; L619-V637 HydrophobicContact CD2-CG2 3.65Å; L619-V637 HydrophobicContact CG-CG2 3.58Å; Q633-V637 WeakPolarHBondContact O-CG2 3.25Å; Q633-V637 PolarHBondContact O-N 3.28Å; A634-V637 PolarHBondContact O-N 2.96Å; V635-V637 PolarHBondContact O-N 2.66Å; V637-S640 PolarHBondContact O-N 2.83Å; V637-L641 HydrophobicContact CG1-CD1 3.71Å; V637-L641 HydrophobicContact CG1-CG 4.34Å; V637-L641 WeakPolarHBondContact O-CB 3.39Å; V637-L641 VanDerWaalsContact O-CG 3.3Å; V637-L641 WeakPolarHBondContact O-CG 3.38Å; V637-L641 PolarHBondContact O-N 3.17Å
638I98Very high95.4Very high88 Ų8879.2 Ų79.245%0.45140%0.4SS..Hα-helixtrans-59-52.8179.3-69.9164.1000110.2A634 V635 S640 L641 E642A634-I638 VanDerWaalsContact O-CG1 3.28Å; A634-I638 WeakPolarHBondContact O-CG1 3.45Å; A634-I638 PolarHBondContact O-N 2.88Å; V635-I638 PolarHBondContact O-N 3.21Å; I638-S640 VanDerWaalsContact C-N 3.3Å; I638-S640 PolarHBondContact O-N 3.01Å; I638-L641 PolarHBondContact O-N 2.75Å; I638-L641 VanDerWaalsContact O-N 3.14Å; I638-E642 HydrophobicContact CG2-CG 4.17Å; I638-E642 WeakPolarHBondContact O-CB 3.45Å; I638-E642 WeakPolarHBondContact O-CG 3.35Å; I638-E642 PolarHBondContact O-N 3.14Å
639L97.3Very high94.2Very high101 Ų10179.7 Ų79.753%0.52940%0.403SS..Hα-helixtrans-60.6-37.1-179.6-68.6171.5000112.7V635 Q643V635-L639 HydrophobicContact CG1-CD1 3.8Å; V635-L639 HydrophobicContact CG1-CG 4.36Å; V635-L639 WeakPolarHBondContact O-CB 3.42Å; V635-L639 VanDerWaalsContact O-CG 3.31Å; V635-L639 WeakPolarHBondContact O-CG 3.37Å; V635-L639 PolarHBondContact O-N 3.48Å; L639-Q643 WeakPolarHBondContact O-CB 3.49Å; L639-Q643 PolarHBondContact O-N 3.42Å
640S96.4Very high92.6Very high65 Ų6582.9 Ų82.946%0.45542%0.419SS..Hα-helixtrans-67.9-41175.4-175.30000112.6A636 V637 I638 Q644A636-S640 WeakPolarHBondContact O-CB 3.48Å; A636-S640 PolarHBondContact O-N 3.41Å; A636-S640 VanDerWaalsContact O-N 3.08Å; V637-S640 PolarHBondContact O-N 2.83Å; I638-S640 VanDerWaalsContact C-N 3.3Å; I638-S640 PolarHBondContact O-N 3.01Å; S640-Q644 WeakPolarHBondContact O-CB 3.31Å; S640-Q644 WeakPolarHBondContact O-CG 3.3Å; S640-Q644 PolarHBondContact O-N 2.72Å
641L96.1Very high90.6Very high64 Ų6486.5 Ų86.534%0.33544%0.439SS..Hα-helixtrans-70.9-42.1177.4-69.2173.5000111.5V637 I638 Q643 Q644 V645V637-L641 HydrophobicContact CG1-CD1 3.71Å; V637-L641 HydrophobicContact CG1-CG 4.34Å; V637-L641 WeakPolarHBondContact O-CB 3.39Å; V637-L641 VanDerWaalsContact O-CG 3.3Å; V637-L641 WeakPolarHBondContact O-CG 3.38Å; V637-L641 PolarHBondContact O-N 3.17Å; I638-L641 PolarHBondContact O-N 2.75Å; I638-L641 VanDerWaalsContact O-N 3.14Å; L641-Q643 VanDerWaalsContact C-N 3.34Å; L641-Q643 PolarHBondContact O-N 3.48Å; L641-Q644 PolarHBondContact O-N 2.91Å; L641-V645 WeakPolarHBondContact O-CB 3.39Å; L641-V645 VanDerWaalsContact O-CG2 3.26Å; L641-V645 WeakPolarHBondContact O-CG2 3.31Å; L641-V645 PolarHBondContact O-N 3.45Å
642E95.4Very high88.8Confident94 Ų9487.2 Ų87.244%0.43945%0.449SS..Hα-helixtrans-58.9-43.5173.7-76.5-176.9174.800111.9I638 V645 R646I638-E642 HydrophobicContact CG2-CG 4.17Å; I638-E642 WeakPolarHBondContact O-CB 3.45Å; I638-E642 WeakPolarHBondContact O-CG 3.35Å; I638-E642 PolarHBondContact O-N 3.14Å; E642-V645 PolarHBondContact O-N 3.17Å; E642-R646 VanDerWaalsContact O-CB 3.29Å; E642-R646 WeakPolarHBondContact O-CB 3.44Å; E642-R646 PolarHBondContact O-N 2.92Å
643Q94.9Very high86.7Confident77 Ų7788.9 Ų88.936%0.3645%0.454SS..Hα-helixtrans-66-43.3176.5-178.259.617.300111.6L639 L641 V645 R646 E647L639-Q643 WeakPolarHBondContact O-CB 3.49Å; L639-Q643 PolarHBondContact O-N 3.42Å; L641-Q643 VanDerWaalsContact C-N 3.34Å; L641-Q643 PolarHBondContact O-N 3.48Å; Q643-V645 VanDerWaalsContact C-N 3.31Å; Q643-V645 PolarHBondContact O-N 3.27Å; Q643-R646 WeakPolarHBondContact O-CB 3.35Å; Q643-R646 PolarHBondContact O-N 2.94Å; Q643-E647 WeakPolarHBondContact CG-OE1 3.11Å; Q643-E647 PolarHBondContact NE2-OE1 3.07Å; Q643-E647 WeakPolarHBondContact O-CB 3.01Å; Q643-E647 WeakPolarHBondContact O-CG 3.13Å; Q643-E647 PolarHBondContact O-N 3.19Å
644Q93.3Very high84.8Confident66 Ų6689.9 Ų89.931%0.30847%0.468SS..Hα-helixtrans-62.1-36.6173.4-78.1-179.56600113.2S640 L641 R648S640-Q644 WeakPolarHBondContact O-CB 3.31Å; S640-Q644 WeakPolarHBondContact O-CG 3.3Å; S640-Q644 PolarHBondContact O-N 2.72Å; L641-Q644 PolarHBondContact O-N 2.91Å; Q644-R648 WeakPolarHBondContact O-CB 3.5Å; Q644-R648 WeakPolarHBondContact O-CG 3.42Å; Q644-R648 PolarHBondContact O-N 3.36Å
645V94.3Very high82.8Confident87 Ų8792.2 Ų92.253%0.52749%0.487SS..Hα-helixtrans-68.1-43.4174.8166.50000109.9L641 E642 Q643 R648 N649L641-V645 WeakPolarHBondContact O-CB 3.39Å; L641-V645 VanDerWaalsContact O-CG2 3.26Å; L641-V645 WeakPolarHBondContact O-CG2 3.31Å; L641-V645 PolarHBondContact O-N 3.45Å; E642-V645 PolarHBondContact O-N 3.17Å; Q643-V645 VanDerWaalsContact C-N 3.31Å; Q643-V645 PolarHBondContact O-N 3.27Å; V645-R648 PolarHBondContact O-N 3.41Å; V645-N649 VanDerWaalsContact O-CB 3.3Å; V645-N649 WeakPolarHBondContact O-CB 3.48Å; V645-N649 PolarHBondContact O-N 2.76Å; V645-N649 PolarHBondContact O-ND2 2.7Å
646R90.8Very high80.9Confident137 Ų13791.8 Ų91.852%0.51749%0.487SS..Hα-helixtrans-60.2-46.1175.6-173.9-179.1-65.7126.22111.7E642 Q643 L650E642-R646 VanDerWaalsContact O-CB 3.29Å; E642-R646 WeakPolarHBondContact O-CB 3.44Å; E642-R646 PolarHBondContact O-N 2.92Å; Q643-R646 WeakPolarHBondContact O-CB 3.35Å; Q643-R646 PolarHBondContact O-N 2.94Å; R646-L650 PolarHBondContact O-N 2.76Å; R646-L650 VanDerWaalsContact O-N 3.14Å
647E86.9Confident78.8Confident113 Ų11395.3 Ų95.353%0.52850%0.498SS..Hα-helixtrans-66-45.3177.4-73.6169.7-171.400112.5Q643 N649 L650Q643-E647 WeakPolarHBondContact CG-OE1 3.11Å; Q643-E647 PolarHBondContact NE2-OE1 3.07Å; Q643-E647 WeakPolarHBondContact O-CB 3.01Å; Q643-E647 WeakPolarHBondContact O-CG 3.13Å; Q643-E647 PolarHBondContact O-N 3.19Å; E647-N649 VanDerWaalsContact C-N 3.33Å; E647-N649 PolarHBondContact O-N 3.01Å; E647-L650 VanDerWaalsContact O-CB 3.31Å; E647-L650 WeakPolarHBondContact O-CB 3.44Å; E647-L650 PolarHBondContact O-N 2.68Å; E647-L650 VanDerWaalsContact O-N 3.16Å
648R82.4Confident76.7Confident188 Ų188100.3 Ų100.371%0.70952%0.519SS*.Hα-helixtrans-71.6-25178.4-71.6-173.3-179105.42113.7Q644 V645 L650Q644-R648 WeakPolarHBondContact O-CB 3.5Å; Q644-R648 WeakPolarHBondContact O-CG 3.42Å; Q644-R648 PolarHBondContact O-N 3.36Å; V645-R648 PolarHBondContact O-N 3.41Å; R648-L650 VanDerWaalsContact C-N 3.34Å
649N71.9Confident74.8Confident121 Ų121104.5 Ų104.565%0.64753%0.529SS*.THydrogen-bonded Turntrans-88.21.5171.8-73.2-83.7000113.2V645 E647 N651V645-N649 VanDerWaalsContact O-CB 3.3Å; V645-N649 WeakPolarHBondContact O-CB 3.48Å; V645-N649 PolarHBondContact O-N 2.76Å; V645-N649 PolarHBondContact O-ND2 2.7Å; E647-N649 VanDerWaalsContact C-N 3.33Å; E647-N649 PolarHBondContact O-N 3.01Å; N649-N651 PolarHBondContact O-N 3.32Å
650L63.5Low72.7Confident127 Ų127109.4 Ų109.467%0.66554%0.54SS*.SBendtrans-76.171.2175-131.277.5000111.2R646 E647 R648R646-L650 PolarHBondContact O-N 2.76Å; R646-L650 VanDerWaalsContact O-N 3.14Å; E647-L650 VanDerWaalsContact O-CB 3.31Å; E647-L650 WeakPolarHBondContact O-CB 3.44Å; E647-L650 PolarHBondContact O-N 2.68Å; E647-L650 VanDerWaalsContact O-N 3.16Å; R648-L650 VanDerWaalsContact C-N 3.34Å
651N57.6Low70.5Confident88 Ų88111.7 Ų111.747%0.47154%0.544SS..  trans53.8101.4172.3-1721.8000115.4N649 K653 A654 A655N649-N651 PolarHBondContact O-N 3.32Å; N651-K653 PolarHBondContact O-N 3.48Å; N651-K653 WeakPolarHBondContact OD1-CB 2.96Å; N651-K653 PolarHBondContact OD1-N 3.45Å; N651-A654 HydrophobicContact CB-CB 4.35Å; N651-A654 WeakPolarHBondContact O-CB 2.79Å; N651-A654 PolarHBondContact O-N 3.31Å; N651-A655 PolarHBondContact O-N 2.73Å
652P60.2Low68.4Low101 Ų101113.3 Ų113.366%0.65655%0.55SS*.Hα-helixtrans-60.6-19.117924.9-34.3000114C656P652-C656 VanDerWaalsContact O-CB 3.32Å; P652-C656 WeakPolarHBondContact O-CB 3.46Å; P652-C656 PolarHBondContact O-N 3.35Å
653K53.2Low65.9Low160 Ų160115.8 Ų115.870%0.69656%0.561SS**Hα-helixtrans-68.4-32.2171.4-62.4-176176.8-179.70112.4N651 C656 L657N651-K653 PolarHBondContact O-N 3.48Å; N651-K653 WeakPolarHBondContact OD1-CB 2.96Å; N651-K653 PolarHBondContact OD1-N 3.45Å; K653-C656 PolarHBondContact O-N 3.32Å; K653-L657 WeakPolarHBondContact O-CB 3Å; K653-L657 PolarHBondContact O-N 2.93Å
654A57.9Low63.6Low51 Ų51119.5 Ų119.542%0.42158%0.576SS.*Hα-helixtrans-71-45174.800000111.2N651 C656 L657 K658N651-A654 HydrophobicContact CB-CB 4.35Å; N651-A654 WeakPolarHBondContact O-CB 2.79Å; N651-A654 PolarHBondContact O-N 3.31Å; A654-C656 PolarHBondContact O-N 3.03Å; A654-L657 PolarHBondContact O-N 2.95Å; A654-K658 PolarHBondContact O-N 2.89Å
655A56.3Low61.2Low60 Ų60121.4 Ų121.450%0.49659%0.592SS.*Hα-helixtrans-62.8-27.7174.200000113.4N651 R659N651-A655 PolarHBondContact O-N 2.73Å; A655-R659 PolarHBondContact O-N 3.32Å
656C56.6Low58.7Low76 Ų76122.3 Ų122.351%0.51460%0.598SS.*Hα-helixtrans-86.9-28.5175.2-156.30000113.6P652 K653 A654P652-C656 VanDerWaalsContact O-CB 3.32Å; P652-C656 WeakPolarHBondContact O-CB 3.46Å; P652-C656 PolarHBondContact O-N 3.35Å; K653-C656 PolarHBondContact O-N 3.32Å; A654-C656 PolarHBondContact O-N 3.03Å
657L54.6Low56.6Low127 Ų127121.4 Ų121.467%0.66561%0.607SS**Hα-helixtrans-65.8-47.8168.1-11679.3000110.6K653 A654 R659 R660 E661K653-L657 WeakPolarHBondContact O-CB 3Å; K653-L657 PolarHBondContact O-N 2.93Å; A654-L657 PolarHBondContact O-N 2.95Å; L657-R659 PolarHBondContact O-N 3.24Å; L657-R660 WeakPolarHBondContact O-CA 3.06Å; L657-R660 WeakPolarHBondContact O-CB 3.32Å; L657-R660 PolarHBondContact O-N 3.12Å; L657-E661 PolarHBondContact O-N 3.34Å; L657-E661 VanDerWaalsContact O-N 3.16Å
658K54.2Low54.5Low116 Ų116121.3 Ų121.350%0.50461%0.614SS.*Hα-helixtrans-56-53.1-179.3-170.5175.5-179.5-179.10110.7A654 R660 E661 E662A654-K658 PolarHBondContact O-N 2.89Å; K658-R660 PolarHBondContact O-N 3.28Å; K658-E661 VanDerWaalsContact O-CG 3.3Å; K658-E661 WeakPolarHBondContact O-CG 3.39Å; K658-E661 PolarHBondContact O-N 3.16Å; K658-E662 HydrophobicContact CG-CG 4.45Å; K658-E662 WeakPolarHBondContact O-CG 3.34Å; K658-E662 PolarHBondContact O-N 3.35Å
659R56.9Low52.7Low176 Ų176117 Ų11766%0.66461%0.613SS**Hα-helixtrans-59.3-9.7175.6-77.7-163.6-62.7150.70.1115.8A655 L657 E662A655-R659 PolarHBondContact O-N 3.32Å; L657-R659 PolarHBondContact O-N 3.24Å; R659-E662 WeakPolarHBondContact CA-OE1 3.48Å; R659-E662 WeakPolarHBondContact CG-OE1 3.25Å
660R52.7Low51.1Low203 Ų203118.4 Ų118.477%0.76662%0.621SS**Hα-helixtrans-98.4-16.2172.5-164.7175.4-177-167.60.1113.3L657 K658L657-R660 WeakPolarHBondContact O-CA 3.06Å; L657-R660 WeakPolarHBondContact O-CB 3.32Å; L657-R660 PolarHBondContact O-N 3.12Å; K658-R660 PolarHBondContact O-N 3.28Å
661E51.7Low49.7Very low113 Ų113115.8 Ų115.853%0.52863%0.625SS.*Hα-helixtrans-81.6-36.717292.2-156.6-161.800111.2L657 K658 E663 K664 V665L657-E661 PolarHBondContact O-N 3.34Å; L657-E661 VanDerWaalsContact O-N 3.16Å; K658-E661 VanDerWaalsContact O-CG 3.3Å; K658-E661 WeakPolarHBondContact O-CG 3.39Å; K658-E661 PolarHBondContact O-N 3.16Å; E661-E663 VanDerWaalsContact C-N 3.32Å; E661-E663 PolarHBondContact O-N 2.93Å; E661-K664 PolarHBondContact O-N 3.45Å; E661-V665 PolarHBondContact O-N 3.34Å
662E50.3Low48.6Very low98 Ų98118.5 Ų118.546%0.45864%0.644SS.*Hα-helixtrans-65-35.4-178.3-22.9-170.4-122.800111.5K658 R659 K664 V665K658-E662 HydrophobicContact CG-CG 4.45Å; K658-E662 WeakPolarHBondContact O-CG 3.34Å; K658-E662 PolarHBondContact O-N 3.35Å; R659-E662 WeakPolarHBondContact CA-OE1 3.48Å; R659-E662 WeakPolarHBondContact CG-OE1 3.25Å; E662-K664 VanDerWaalsContact C-N 3.25Å; E662-K664 PolarHBondContact O-N 3.19Å; E662-V665 PolarHBondContact O-N 3.41Å
663E44Very low48.3Very low146 Ų146119.1 Ų119.168%0.68265%0.649SS**Hα-helixtrans-67.9-20.9175-164.3-177.9169.300113.1E661E661-E663 VanDerWaalsContact C-N 3.32Å; E661-E663 PolarHBondContact O-N 2.93Å
664K47.1Very low47.6Very low156 Ų156119.9 Ų119.968%0.67866%0.659SS**Hα-helixtrans-94.7-9.2-177.7-161.5175.9178.7-59.10113.8E661 E662E661-K664 PolarHBondContact O-N 3.45Å; E662-K664 VanDerWaalsContact C-N 3.25Å; E662-K664 PolarHBondContact O-N 3.19Å
665V42.4Very low46.3Very low105 Ų105122.3 Ų122.364%0.63667%0.673SS**Hα-helixtrans-94.3-28.7-179.2174.90000112.4E661 E662 T668E661-V665 PolarHBondContact O-N 3.34Å; E662-V665 PolarHBondContact O-N 3.41Å; V665-T668 PolarHBondContact O-OG1 3.34Å
666T41.2Very low45.4Very low107 Ų107127.1 Ų127.166%0.65669%0.69SS**G310 helixtrans-75.2-21.9-178.351.30000114.3
667V46.1Very low44.3Very low118 Ų118128 Ų12872%0.71570%0.702SS**G310 helixtrans-86-9.4-174-178.10000113.1
668T44.3Very low43.2Very low110 Ų110126.6 Ų126.668%0.67571%0.709SS**G310 helixtrans-1106.9-170.753.70000115.7V665V665-T668 PolarHBondContact O-OG1 3.34Å
669S44.5Very low42.3Very low98 Ų98125.3 Ų125.369%0.68572%0.72SS**SBendtrans-92.1-30.3-174.8-163.50000114.9
670D37.3Very low41.3Very low151 Ų151125.9 Ų125.981%0.80773%0.73SS**SBendtrans-112.6110.6-174.9-63.3-48.3000110.3
671G34.8Very low40.6Very low72 Ų72126 Ų12674%0.74274%0.739SS**  trans-98.5127.9-164.400000115.7
672T34.7Very low40Very low144 Ų144125.5 Ų125.588%0.88375%0.754SS**  -169145.1124.115.80000110.9
673P54.2Low39.4Very low115 Ų115125.8 Ų125.875%0.74777%0.773SS**  trans-96.8139.5-177.935.4-32000113
674L37.6Very low39.1Very low176 Ų176123.8 Ų123.892%0.92178%0.782SS**  trans178.7157.8133.2-99.8163.9000114.3
675S31.3Very low38.8Very low102 Ų102121 Ų12171%0.71379%0.788SS**  trans61.884.2159.1-150.10000121.4
676L37.2Very low38.8Very low161 Ų161120.9 Ų120.984%0.84380%0.798SS**  17120.2110.7-175.374000118.1
677A32.3Very low38.9Very low93 Ų93125.4 Ų125.477%0.76981%0.814SS**  157.9106.7119.800000114.9
678A32.8Very low38.5Very low98 Ų98123.6 Ų123.681%0.8182%0.819SS**  trans179.178153.700000108.7
679A35.2Very low38.2Very low90 Ų90126.4 Ų126.474%0.74483%0.83SS**  57.7105.287.500000114.1
680H36.6Very low37.8Very low187 Ų187124.8 Ų124.887%0.86683%0.829SS**  trans175.345.1146.6-95.6-60.4000114.6
681H37.6Very low38.6Very low205 Ų205123.2 Ų123.295%0.94983%0.827SS**SBendtrans-146.255.7171.9-91-62.6000113.5
682A37.5Very low38.9Very low104 Ų104127.3 Ų127.386%0.8683%0.832SS**  trans-156.264.6177.600000113.4
683A38.3Very low40.1Very low103 Ų103125.3 Ų125.385%0.85182%0.822SS**  trans-156.746-178.800000115.7
684A38.5Very low39.4Very low105 Ų105128.8 Ų128.887%0.86883%0.83SS**SBendtrans-168.764.6167.400000114.8
685A40.4Very low39.8Very low98 Ų98123.2 Ų123.281%0.8182%0.815SS**SBendtrans-159.4135.1161.500000112.4
686A42.4Very low40.4Very low102 Ų102127 Ų12784%0.84382%0.821SS**  trans37.2100.6160.300000118.7
687M43Very low40.6Very low201 Ų201130.9 Ų130.999%0.9984%0.838SS**  trans-68.8139.5145.3-61.9-153.573.700109.3
688G38.1Very low41Very low80 Ų80132.8 Ų132.883%0.82584%0.842SS**  trans-171.7125.3177.200000109.8
689D38.4Very low41.4Very low169 Ų169134.6 Ų134.690%0.90484%0.843SS**  trans-101.6161.7-164.4-156.5-7.5000112.8
690G36.2Very low41.8Very low64 Ų64137.1 Ų137.166%0.6685%0.849SS**  trans90.3113.6160.200000118.5
691P52.8Low42.1Very low119 Ų119134.1 Ų134.177%0.77385%0.848SS**  trans-105.1138.3166.636.1-28.7000113.4
692N41.3Very low42.4Very low157 Ų157129.7 Ų129.784%0.8484%0.841SS**  -179.3160.3120.2-12411.4000112.8
693P60Low42.7Very low103 Ų103131.4 Ų131.467%0.66984%0.84SS**  trans-100.6143.5176.537.1-30.6000114.3
694M40Very low43Very low188 Ų188133.4 Ų133.493%0.92684%0.839SS**  trans-154.6136.5154.5-129.683.370.200103.6
695G46.6Very low43.3Very low59 Ų59135.6 Ų135.661%0.60884%0.837SS**  cis118.6143.527.600000107.4
696Q43.3Very low43.6Very low180 Ų180138.8 Ų138.884%0.84184%0.84SS**  trans76.5135.6-164.9-53.6170.922.800112.5
697M41Very low43.7Very low243 Ų243142.1 Ų142.1100%1.19784%0.839SS**  cis-139.60-1.9-104.9147.2-164.600110

Retrieved 697 of 697 residues in 393.8 ms (Link to these results)