A0A096M692_POEFO Loading...

Phosphatase and actin regulator

AlphaFold DB , UniProt , Accession A0A096M692, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 636 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
1M55Low52.4Low221 Ų221130.8 Ų130.8100%1.08969%0.69SS**  0-36.80-86.2178.7168.100114.9V3 N4M1-V3 PolarHBondContact O-N 3.21Å; M1-N4 PolarHBondContact O-N 2.66Å
2I52.2Low52.3Low143 Ų143124.8 Ų124.873%0.73367%0.673SS**THydrogen-bonded Turntrans-61.3-35-172-65.4171.4000114.5N4 L5I2-N4 VanDerWaalsContact C-N 3.26Å; I2-N4 PolarHBondContact O-N 3.19Å; I2-L5 PolarHBondContact O-N 3.43Å
3V54.3Low51.9Low107 Ų107123 Ų12365%0.64866%0.663SS**Hα-helixtrans-61.3-28.9-176.8-176.30000113.6M1 L5M1-V3 PolarHBondContact O-N 3.21Å; V3-L5 VanDerWaalsContact C-N 3.31Å; V3-L5 PolarHBondContact O-N 2.83Å
4N51.7Low51.5Low120 Ų120128.7 Ų128.764%0.64267%0.67SS**Hα-helixtrans-77.7-10.7-177.1-751.1000114.3M1 I2M1-N4 PolarHBondContact O-N 2.66Å; I2-N4 VanDerWaalsContact C-N 3.26Å; I2-N4 PolarHBondContact O-N 3.19Å
5L54.1Low50.9Low129 Ų129130.7 Ų130.768%0.67568%0.681SS**Hα-helixtrans-82.1-42176.6-82.9161.4000112I2 V3 L7 L8 E9I2-L5 PolarHBondContact O-N 3.43Å; V3-L5 VanDerWaalsContact C-N 3.31Å; V3-L5 PolarHBondContact O-N 2.83Å; L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 2.9Å; L5-L8 PolarHBondContact O-N 3.35Å; L5-L8 VanDerWaalsContact O-N 3.14Å; L5-E9 PolarHBondContact O-N 2.91Å
6L51.1Low50.6Low117 Ų117132.7 Ų132.761%0.61368%0.682SS**Hα-helixtrans-64.9-33.6-178.3-70164.8000112.8L8 E9 E10L6-L8 PolarHBondContact O-N 2.99Å; L6-E9 PolarHBondContact O-N 3.26Å; L6-E10 PolarHBondContact O-N 3.28Å
7L53Low50.3Low125 Ų125130.9 Ų130.965%0.65468%0.684SS**Hα-helixtrans-69.6-16.9176.5-87.3164.1000114.4L5L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 2.9Å
8L52.9Low49.8Very low132 Ų132132.8 Ų132.869%0.69170%0.695SS**Hα-helixtrans-90.2-26175.7-98.9150.5000112.5L5 L6L5-L8 PolarHBondContact O-N 3.35Å; L5-L8 VanDerWaalsContact O-N 3.14Å; L6-L8 PolarHBondContact O-N 2.99Å
9E51.9Low49.5Very low142 Ų142132.4 Ų132.466%0.66470%0.7SS**Hα-helixtrans-80.9-42.6-179.1-161.4163.4-157.100111.9L5 L6 A11 A12L5-E9 PolarHBondContact O-N 2.91Å; L6-E9 PolarHBondContact O-N 3.26Å; E9-A11 PolarHBondContact O-N 2.85Å; E9-A12 WeakPolarHBondContact O-CB 3.4Å; E9-A12 PolarHBondContact O-N 3.17Å
10E48.8Very low49Very low138 Ų138131.5 Ų131.565%0.64571%0.705SS**Hα-helixtrans-64.1-24.1176.8-163.2-178.5161.600112.9L6 A12L6-E10 PolarHBondContact O-N 3.28Å; E10-A12 VanDerWaalsContact C-N 3.32Å; E10-A12 PolarHBondContact O-N 2.84Å
11A50.9Low48.7Very low65 Ų65131 Ų13154%0.53771%0.71SS.*Hα-helixtrans-70.9-24.1174.900000113.5E9E9-A11 PolarHBondContact O-N 2.85Å
12A51.1Low48.1Very low58 Ų58129.2 Ų129.248%0.47970%0.703SS.*Hα-helixtrans-80.9-33.4-171.500000114E9 E10E9-A12 WeakPolarHBondContact O-CB 3.4Å; E9-A12 PolarHBondContact O-N 3.17Å; E10-A12 VanDerWaalsContact C-N 3.32Å; E10-A12 PolarHBondContact O-N 2.84Å
13D47.6Very low47.1Very low102 Ų102125.7 Ų125.755%0.54570%0.702SS.*Hα-helixtrans-86.6-17.2-173.1-94-15.1000114.7L15 K16D13-L15 PolarHBondContact O-N 2.94Å; D13-L15 VanDerWaalsContact O-N 3.12Å; D13-K16 PolarHBondContact O-N 3.45Å; D13-K16 WeakPolarHBondContact OD1-CE 3.28Å; D13-K16 IonicContact OD1-NZ 2.65Å; D13-K16 PolarHBondContact OD1-NZ 3.18Å
14R45.9Very low46.1Very low203 Ų203127.2 Ų127.277%0.76672%0.716SS**THydrogen-bonded Turntrans-72.2-0.7178.4-76.8-177.4168.8-87-0.5115.1
15L43.5Very low45.3Very low159 Ų159127.2 Ų127.283%0.83273%0.726SS**THydrogen-bonded Turntrans-97.40.8176.4-91162.3000114.8D13D13-L15 PolarHBondContact O-N 2.94Å; D13-L15 VanDerWaalsContact O-N 3.12Å
16K45.9Very low44.2Very low162 Ų162124.4 Ų124.470%0.70473%0.727SS**SBendtrans-100.24.2-169.5-69.4175.2-174.4161.80116.8D13D13-K16 PolarHBondContact O-N 3.45Å; D13-K16 WeakPolarHBondContact OD1-CE 3.28Å; D13-K16 IonicContact OD1-NZ 2.65Å; D13-K16 PolarHBondContact OD1-NZ 3.18Å
17S45Very low43.3Very low102 Ų102124.5 Ų124.571%0.71374%0.737SS**  trans-133.473-173.659.10000116.2
18L41.3Very low42.3Very low166 Ų166128.3 Ų128.387%0.86975%0.751SS**  trans-130.8143.8153.3-76.5176.5000110
19P44.6Very low41.2Very low124 Ų124125.6 Ų125.681%0.80576%0.755SS**PPolyproline II helixtrans-83.6138.7-168.432.1-35.4000113.8
20S39.7Very low40.1Very low114 Ų114128.2 Ų128.280%0.79777%0.765SS**PPolyproline II helixtrans-76144.5172.4-54.20000112.5
21P42.8Very low39.4Very low123 Ų123127.2 Ų127.280%0.79977%0.768SS**PPolyproline II helixtrans-75.7162.8167.232.8-34.6000112.3
22L40.8Very low38.7Very low182 Ų182132.7 Ų132.795%0.95378%0.784SS**PPolyproline II helixtrans-65.5152173.4-64.2160.1000111
23G32.5Very low38.5Very low69 Ų69134.8 Ų134.871%0.71179%0.793SS**  trans-148.1-175.4-171.600000116.4
24C32.4Very low37.9Very low139 Ų139138.2 Ų138.294%0.93981%0.81SS**  trans61.3149.9171.4-63.20000117.1
25S35Very low37.3Very low121 Ų121139.3 Ų139.385%0.84682%0.815SS**  cis-150.2175.425.558.30000114.1
26G30.4Very low36.7Very low69 Ų69137.1 Ų137.171%0.71181%0.813SS**  trans97124.7170.800000115
27C32.7Very low35.9Very low120 Ų120140.4 Ų140.481%0.81182%0.821SS**  cis159.8133.1-21.5-950000105.6
28E32.2Very low35.3Very low205 Ų205143 Ų14396%0.95883%0.826SS**  trans65.3155.4169.2-52.5-170.415200118.5
29G30.2Very low34.7Very low75 Ų75138.5 Ų138.577%0.77382%0.82SS**  trans136.355164.500000120.9
30F29.1Very low34.1Very low197 Ų197138.4 Ų138.486%0.86482%0.821SS**  trans46.6121.3139.8-138.3-97.8000123.8
31V33.1Very low33.7Very low116 Ų116141 Ų14170%0.70382%0.821SS**  trans3.9138.1146.2-156.70000120.7
32M37.1Very low33.2Very low181 Ų181141.4 Ų141.489%0.89282%0.815SS**  trans-56.8162.9166.6-68.9-175.4150.200114.8
33P47.2Very low32.7Very low101 Ų101140.3 Ų140.366%0.65681%0.81SS**  trans-136.7144.7133.939.4-29.1000115.9
34L35.4Very low32.6Very low175 Ų175142.3 Ų142.392%0.91681%0.809SS**  trans-85.9120.7165.317898.2000108.7
35W31.3Very low32.7Very low225 Ų225141.5 Ų141.585%0.85281%0.805SS**  trans-113.4141-176-90.934.9000114.3
36S31.8Very low32.4Very low114 Ų114141.3 Ų141.380%0.79780%0.802SS**  trans-154.1122.4169.8-81.50000111.8
37R29.8Very low32.4Very low231 Ų231142.8 Ų142.887%0.87281%0.808SS**  trans77.1140.9151-148.8-177.5-166.3-147.42.7120
38L32.4Very low32.3Very low157 Ų157141.7 Ų141.782%0.82281%0.807SS**  trans93.8142150.6-13377.4000119.5
39G27.4Very low32.3Very low71 Ų71139.3 Ų139.373%0.73280%0.801SS**  trans87.2104.9176.100000113.8
40S32.3Very low33.5Very low121 Ų121141.1 Ų141.185%0.84680%0.799SS**  cis81108.930.9-163.70000115.6
41Q31Very low33.5Very low169 Ų169137 Ų13779%0.7979%0.794SS**  trans-162.4145150.9-126.8-178.78900112.7
42I32.9Very low33.4Very low132 Ų132138.2 Ų138.268%0.67780%0.796SS**  trans28.5130.9158.950.3173.1000120
43D30.5Very low33.2Very low158 Ų158137.7 Ų137.785%0.84579%0.792SS**  -143169.867.4-134.4-27.6000116.5
44T30.3Very low32.6Very low111 Ų111137.6 Ų137.668%0.68179%0.789SS**  trans-123.8136.2-167.7-500000113.7
45S34.7Very low32.5Very low122 Ų122137.3 Ų137.385%0.85378%0.783SS**  trans-142.1149.8160.764.10000111.2
46C29.4Very low32.7Very low118 Ų118135.5 Ų135.580%0.79778%0.781SS**  trans-115.3151-165.8-57.50000112.3
47A30.3Very low33.5Very low100 Ų100135.8 Ų135.883%0.82678%0.781SS**  155.2163.8116.300000114.5
48A31.1Very low33.7Very low96 Ų96127.6 Ų127.679%0.79377%0.768SS**  trans80.7147164.700000119.6
49N31.8Very low33.9Very low156 Ų156128.3 Ų128.383%0.83477%0.765SS**  trans-124.5-165.8178.9-65.5-72000108
50P55Low34.4Very low113 Ų113135.4 Ų135.473%0.73477%0.769SS**  -125.5-139.3-75.341-24.5000111.1
51C28.8Very low34.4Very low111 Ų111138.2 Ų138.275%0.7577%0.771SS**  trans81.9144.8179.4-53.60000115
52D31.6Very low34.5Very low141 Ų141133 Ų13375%0.75476%0.763SS**  cis-148.8-1793.5-139.6-24000114.8
53E32.9Very low34.5Very low170 Ų170132.9 Ų132.979%0.79477%0.768SS**  trans-27.3157.6164-85-155139.800119.5
54T34.8Very low34.6Very low99 Ų99134.5 Ų134.561%0.60777%0.768SS**  cis-134.8-166.70.356.60000109.4
55Q33.4Very low34.7Very low168 Ų168133.6 Ų133.679%0.78577%0.765SS**  cis-155.6-164.11.9-141.5166.2118.100111.9
56K34.4Very low34.5Very low187 Ų187135.3 Ų135.381%0.81376%0.764SS**  trans-149.2-175-179.6-77.5171.9-179.2151.60107.8
57P49.3Very low34.5Very low121 Ų121137 Ų13779%0.78677%0.765SS**  cis-126.3-169.7-0.939.4-19.8000113.2
58G32.7Very low34.6Very low59 Ų59141.1 Ų141.161%0.60876%0.764SS**  cis-164.2159.43.500000111.9
59K38.3Very low34.7Very low172 Ų172145.7 Ų145.775%0.74877%0.772SS**  67.1129.380.1-68.3177.1178.41760113
60R38Very low34.7Very low219 Ų219147.7 Ų147.783%0.82677%0.773SS**  cis-152.5162.72-85.3142.5170.4172.8-8.6107.8
61M31.8Very low34.3Very low180 Ų180147.3 Ų147.389%0.88777%0.77SS**  cis107.6108.421.6-138.8-59.1-12400114.2
62G33.2Very low34.4Very low60 Ų60153.6 Ų153.662%0.61978%0.778SS**  trans88.7160.7161.700000119.4
63T33.1Very low34.3Very low129 Ų129157.6 Ų157.679%0.79178%0.783SS**  cis-172.4143.6-1615.40000112.9
64F31.8Very low34.3Very low193 Ų193156.5 Ų156.585%0.84678%0.782SS**  trans65.3120.5146.4-91.8-113.1000125.8
65C31.8Very low34.1Very low91 Ų91157.9 Ų157.962%0.61579%0.794SS**  trans72125.9131.3-78.80000126.8
66L31.9Very low33.9Very low158 Ų158153.1 Ų153.183%0.82779%0.79SS**  trans54.5132133.3-58171.6000119.6
67D29.4Very low33.7Very low154 Ų154151.6 Ų151.682%0.82479%0.791SS**  -152.1-151.360.4-147.4-35.1000114.6
68K32.3Very low32.8Very low186 Ų186157.5 Ų157.581%0.80980%0.797SS**  trans-129.3126.8-145.2173.6-170.8-179.5-177.80115.7
69M32.3Very low33Very low193 Ų193160.3 Ų160.395%0.95180%0.802SS**  trans-156.4152.4157.2-112.5177.5-172.700114.1
70K32.9Very low32.6Very low198 Ų198161 Ų16186%0.86181%0.809SS**  trans-168.2170.6-179.4-121.2177.9178.6172.80107.3
71P45Very low32.2Very low104 Ų104154.9 Ų154.968%0.67581%0.805SS**  cis-136.7168.5-5.340.6-24.5000115.8
72R30.8Very low32.4Very low244 Ų244151.4 Ų151.492%0.92181%0.805SS**  trans-133162.3132.1-78.3-156.2169.5-136.1-4.2110.1
73R30.6Very low32.5Very low225 Ų225154.2 Ų154.285%0.84981%0.809SS**  trans-48.9136-165.2-51.9-66.6-176.3177.60.2112.4
74L31.9Very low32.5Very low147 Ų147154.7 Ų154.777%0.7781%0.807SS**  58.6133.167.3-87.276.5000112.5
75C31.2Very low32.7Very low128 Ų128151.9 Ų151.987%0.86580%0.801SS**  cis-160.1149.5-0.5-161.20000108.5
76G29.8Very low32.9Very low67 Ų67153.6 Ų153.669%0.69180%0.804SS**  cis-178.8156.7-6.500000111.1
77D29Very low33.3Very low156 Ų156153.3 Ų153.383%0.83480%0.801SS**  trans-66.8145.5-178.4-78.5-66.2000114.3
78R30Very low33.7Very low245 Ų245149.4 Ų149.493%0.92579%0.787SS**  -167.8140.7106.6-108.9175.4157.7-154-13.7115.6
79T36.9Very low33.9Very low117 Ų117146 Ų14672%0.71878%0.783SS**  trans-80.2145.116749.60000111.8
80E30.3Very low34.1Very low188 Ų188145.8 Ų145.888%0.87978%0.777SS**  -177.5161117.6-102.8171.4-160.200114
81A29.8Very low34.1Very low90 Ų90143.7 Ų143.774%0.74477%0.772SS**  trans18.2117.2164.700000120.7
82A36.1Very low33.6Very low107 Ų107146.5 Ų146.588%0.88478%0.78SS**  trans-79.6123.316600000112.3
83V34.7Very low33.6Very low118 Ų118144.6 Ų144.672%0.71577%0.773SS**  trans-128.9108.8166.2179.40000108.6N85V83-N85 PolarHBondContact O-N 2.88Å
84N34.9Very low33.5Very low139 Ų139139.1 Ų139.174%0.74377%0.768SS**  trans-9190.1-164.8-164.9-1.4000112.4N86N84-N86 VanDerWaalsContact CG-ND2 3.33Å; N84-N86 PolarHBondContact O-N 2.89Å; N84-N86 PolarHBondContact OD1-ND2 2.95Å
85N34.2Very low33.7Very low134 Ų134139.5 Ų139.572%0.71777%0.766SS**  trans-74.586.1-177.5-77.9-72.3000112.9V83V83-N85 PolarHBondContact O-N 2.88Å
86N37.9Very low34Very low127 Ų127139.8 Ų139.868%0.67976%0.758SS**  trans-96.194.4169.1-74.3-83.1000110.9N84N84-N86 VanDerWaalsContact CG-ND2 3.33Å; N84-N86 PolarHBondContact O-N 2.89Å; N84-N86 PolarHBondContact OD1-ND2 2.95Å
87I39.4Very low34.5Very low152 Ų152140.1 Ų140.178%0.77976%0.76SS**  trans-118.187.4168.4-57.8179.2000107.9
88S38.5Very low35Very low73 Ų73141.5 Ų141.551%0.5176%0.759SS.*  trans-85.6122.9175.448.60000111F90S88-F90 WeakPolarHBondContact O-CD2 3.39Å; S88-F90 PolarHBondContact O-N 3.2Å
89P36.4Very low35.3Very low114 Ų114136.4 Ų136.474%0.7475%0.746SS**  trans-78106.7174.730-32.4000110.4M91P89-M91 PolarHBondContact O-N 2.97Å
90F34.8Very low35.1Very low188 Ų188138.3 Ų138.383%0.82575%0.75SS**  trans-70.888176.4-68.6-83.4000111.9S88 I92S88-F90 WeakPolarHBondContact O-CD2 3.39Å; S88-F90 PolarHBondContact O-N 3.2Å; F90-I92 PolarHBondContact O-N 2.94Å
91M34.6Very low35.3Very low154 Ų154136 Ų13676%0.75974%0.737SS**  trans-69.6114.8166.1-83.6-171.3-79.200110.9P89 R93P89-M91 PolarHBondContact O-N 2.97Å; M91-R93 PolarHBondContact O-N 3.05Å
92I34.3Very low35.7Very low164 Ų164140.3 Ų140.384%0.84174%0.741SS**  trans-75.791.1166.2-59.7173.6000108.5F90 C94F90-I92 PolarHBondContact O-N 2.94Å; I92-C94 PolarHBondContact O-N 3.36Å; I92-C94 VanDerWaalsContact O-N 3.14Å
93R29.3Very low35.6Very low203 Ų203142.4 Ų142.477%0.76674%0.736SS**  trans-70.799.5166.9-79.7-170173.5-163.80.2109.8M91 Q95M91-R93 PolarHBondContact O-N 3.05Å; R93-Q95 PolarHBondContact O-N 2.76Å; R93-Q95 VanDerWaalsContact O-N 3.11Å
94C29.6Very low35.6Very low110 Ų110141 Ų14174%0.74373%0.73SS**  trans-77.192.4171.8-169.90000110.7I92 I96I92-C94 PolarHBondContact O-N 3.36Å; I92-C94 VanDerWaalsContact O-N 3.14Å; C94-I96 VanDerWaalsContact C-N 3.35Å; C94-I96 PolarHBondContact O-N 2.88Å
95Q35.2Very low35.9Very low156 Ų156139.8 Ų139.873%0.72973%0.733SS**  trans-91.747.4-175.1-162.465.958.400113.1R93R93-Q95 PolarHBondContact O-N 2.76Å; R93-Q95 VanDerWaalsContact O-N 3.11Å
96I38.6Very low36.1Very low134 Ų134140.6 Ų140.669%0.68774%0.737SS**  trans-126.392.3172-58.687.2000111C94C94-I96 VanDerWaalsContact C-N 3.35Å; C94-I96 PolarHBondContact O-N 2.88Å
97G39.1Very low36.1Very low73 Ų73139.4 Ų139.475%0.75374%0.738SS**  trans-100.390.3151.200000109.3
98K40Very low35.9Very low186 Ų186142.3 Ų142.381%0.80975%0.745SS**SBendtrans-168.9159.8169.4-102.7142.5-172.51780110
99E36.9Very low35.9Very low138 Ų138142.9 Ų142.965%0.64576%0.762SS**  trans-55.3133.2-166.3-57.316192.900115.2K101E99-K101 VanDerWaalsContact C-N 3.26Å; E99-K101 HydrophobicContact CB-CG 4.21Å; E99-K101 PolarHBondContact O-N 3.27Å; E99-K101 WeakPolarHBondContact OE1-CE 3.38Å; E99-K101 IonicContact OE1-NZ 2.69Å; E99-K101 PolarHBondContact OE1-NZ 2.73Å; E99-K101 WeakPolarHBondContact OE2-CE 3.39Å; E99-K101 IonicContact OE2-NZ 2.91Å; E99-K101 PolarHBondContact OE2-NZ 2.88Å
100I32.5Very low35.9Very low156 Ų156142.2 Ų142.280%0.877%0.766SS**  trans-78.981.9157.3-57.4179.6000108.3H102I100-H102 PolarHBondContact O-N 2.87Å
101K35Very low36.3Very low141 Ų141141.4 Ų141.461%0.61377%0.765SS**  trans-71.5111.5165.8-87167.1167.5142.70109E99 I103E99-K101 VanDerWaalsContact C-N 3.26Å; E99-K101 HydrophobicContact CB-CG 4.21Å; E99-K101 PolarHBondContact O-N 3.27Å; E99-K101 WeakPolarHBondContact OE1-CE 3.38Å; E99-K101 IonicContact OE1-NZ 2.69Å; E99-K101 PolarHBondContact OE1-NZ 2.73Å; E99-K101 WeakPolarHBondContact OE2-CE 3.39Å; E99-K101 IonicContact OE2-NZ 2.91Å; E99-K101 PolarHBondContact OE2-NZ 2.88Å; K101-I103 PolarHBondContact O-N 3.07Å
102H37.3Very low36.5Very low180 Ų180139.8 Ų139.883%0.83377%0.766SS**  trans-66.795.5174.2-85.1-79.3000110.9I100 C104I100-H102 PolarHBondContact O-N 2.87Å; H102-C104 PolarHBondContact O-N 3.14Å; H102-C104 VanDerWaalsContact O-N 3.08Å
103I35Very low37.1Very low150 Ų150137.3 Ų137.377%0.76976%0.758SS**  trans-75.195.9168.5-60178.7000108.4K101 S105K101-I103 PolarHBondContact O-N 3.07Å; I103-S105 PolarHBondContact O-N 3.13Å
104C34.9Very low37.8Very low88 Ų88134.1 Ų134.160%0.59576%0.757SS**  trans-79.493.1164.9-172.80000108.8H102 N106 C107H102-C104 PolarHBondContact O-N 3.14Å; H102-C104 VanDerWaalsContact O-N 3.08Å; C104-N106 PolarHBondContact O-N 3.11Å; C104-C107 VanDerWaalsContact SG-SG 3.62Å
105S39.6Very low38.4Very low115 Ų115132.5 Ų132.580%0.80475%0.751SS**THydrogen-bonded Turntrans-72.925.3-176.745.90000114.9I103I103-S105 PolarHBondContact O-N 3.13Å
106N39.7Very low39.3Very low151 Ų151131.2 Ų131.281%0.80775%0.745SS**THydrogen-bonded Turntrans-140.732.3176.3-149.294.1000113.6C104C104-N106 PolarHBondContact O-N 3.11Å
107C38.4Very low39.5Very low102 Ų102130.6 Ų130.669%0.68974%0.739SS**  trans-12287.2173-66.20000111C104C104-C107 VanDerWaalsContact SG-SG 3.62Å
108K35Very low39.9Very low213 Ų213132.1 Ų132.193%0.92673%0.734SS**  trans-138.5131.4163.3-80-166.6173.3-171.80109.4
109G38.7Very low40.3Very low85 Ų85130.8 Ų130.888%0.87673%0.73SS**  trans78.174.2162.700000117.2
110A35.5Very low40.7Very low99 Ų99131.5 Ų131.582%0.81873%0.727SS**  trans-155.5128.7152.600000109.5
111E42.3Very low41.1Very low171 Ų171129.7 Ų129.780%0.79972%0.719SS**  trans-69.7157.4171.8-80.1-64.5112.300111.3V113E111-V113 PolarHBondContact O-N 3.08Å; E111-V113 VanDerWaalsContact O-N 3.11Å
112P39.6Very low41.7Very low121 Ų121126.9 Ų126.979%0.78672%0.721SS**  trans-74.7102.5-175.330-33.8000112.2
113V47.1Very low41.9Very low111 Ų111123.1 Ų123.167%0.67372%0.715SS**  trans-87.3139.8165.2179.70000109.6E111E111-V113 PolarHBondContact O-N 3.08Å; E111-V113 VanDerWaalsContact O-N 3.11Å
114D43.3Very low42Very low137 Ų137123.8 Ų123.873%0.73372%0.717SS**  trans-71.6155.2-171.5-151.1-18.3000113.3E116D114-E116 VanDerWaalsContact C-N 3.3Å; D114-E116 PolarHBondContact O-N 3.27Å
115A43.5Very low42.3Very low76 Ų76130.4 Ų130.463%0.62873%0.73SS**Hα-helixtrans-70.4-18.8-166.800000114.7E117A115-E117 PolarHBondContact O-N 2.8Å
116E52.4Low41.8Very low128 Ų128130 Ų13060%0.59873%0.727SS**Hα-helixtrans-74.4-22.1-173.3-144.9-167.2139.200113.8D114 R120D114-E116 VanDerWaalsContact C-N 3.3Å; D114-E116 PolarHBondContact O-N 3.27Å; E116-R120 VanDerWaalsContact CD-NH1 3.33Å; E116-R120 IonicContact OE1-CZ 4Å; E116-R120 IonicContact OE1-NH1 3.07Å; E116-R120 PolarHBondContact OE1-NH1 2.86Å; E116-R120 IonicContact OE1-NH2 3.34Å; E116-R120 PolarHBondContact OE1-NH2 3.28Å; E116-R120 VanDerWaalsContact OE1-NH2 3.07Å
117E43.8Very low41.5Very low121 Ų121130.5 Ų130.557%0.56573%0.729SS**Hα-helixtrans-82.3-35.2-177.4-169.4163.4-163.500112.5A115 E119 R120 L121A115-E117 PolarHBondContact O-N 2.8Å; E117-E119 VanDerWaalsContact C-N 3.29Å; E117-E119 PolarHBondContact O-N 3.28Å; E117-R120 PolarHBondContact O-N 2.87Å; E117-L121 PolarHBondContact O-N 2.95Å; E117-L121 VanDerWaalsContact O-N 3.15Å
118V46.9Very low41.1Very low106 Ų106131.4 Ų131.464%0.64274%0.737SS**Hα-helixtrans-64.1-34.7177-177.80000111.5A122V118-A122 PolarHBondContact O-N 3.21Å
119E48.7Very low41Very low158 Ų158128.6 Ų128.674%0.73873%0.731SS**Hα-helixtrans-74.6-33.3177.6-167.9154-148.900112.3E117 A122E117-E119 VanDerWaalsContact C-N 3.29Å; E117-E119 PolarHBondContact O-N 3.28Å; E119-A122 PolarHBondContact O-N 3.31Å
120R44.8Very low40.7Very low152 Ų152130.5 Ų130.557%0.57473%0.726SS**Hα-helixtrans-64.3-44.2172.3-83.5-174.9175.171.5-5.8112.7E116 E117 A122 S123E116-R120 VanDerWaalsContact CD-NH1 3.33Å; E116-R120 IonicContact OE1-CZ 4Å; E116-R120 IonicContact OE1-NH1 3.07Å; E116-R120 PolarHBondContact OE1-NH1 2.86Å; E116-R120 IonicContact OE1-NH2 3.34Å; E116-R120 PolarHBondContact OE1-NH2 3.28Å; E116-R120 VanDerWaalsContact OE1-NH2 3.07Å; E117-R120 PolarHBondContact O-N 2.87Å; R120-A122 PolarHBondContact O-N 3.14Å; R120-S123 PolarHBondContact O-N 3.38Å; R120-S123 VanDerWaalsContact O-N 3.12Å
121L42.4Very low41Very low119 Ų119131.5 Ų131.562%0.62372%0.724SS**Hα-helixtrans-66-22.9-179.6-70.2172000113.6E117E117-L121 PolarHBondContact O-N 2.95Å; E117-L121 VanDerWaalsContact O-N 3.15Å
122A46Very low40.4Very low81 Ų81126.5 Ų126.567%0.66972%0.718SS**Hα-helixtrans-75.6-24.3174.400000113.7V118 E119 R120V118-A122 PolarHBondContact O-N 3.21Å; E119-A122 PolarHBondContact O-N 3.31Å; R120-A122 PolarHBondContact O-N 3.14Å
123S42.5Very low40Very low101 Ų101127.8 Ų127.871%0.70672%0.724SS**THydrogen-bonded Turntrans-81.7-13.5-170.2-160.70000114.6R120 R125R120-S123 PolarHBondContact O-N 3.38Å; R120-S123 VanDerWaalsContact O-N 3.12Å; S123-R125 PolarHBondContact O-N 2.8Å
124M37.4Very low39.2Very low164 Ų164131 Ų13181%0.80873%0.731SS**THydrogen-bonded Turntrans-95.522.9-170.1-65.7-171.469.500115.7
125R40.5Very low39.1Very low227 Ų227130 Ų13086%0.85773%0.731SS**  trans-14067.8-177.4-74-165172.1100.7-2.4115.7S123S123-R125 PolarHBondContact O-N 2.8Å
126S30.3Very low40Very low106 Ų106131.4 Ų131.474%0.74173%0.733SS**  trans-160.490158.458.50000113.7
127D32Very low40Very low162 Ų162130.8 Ų130.887%0.86674%0.74SS**  trans-157.5114.5158.8-117.2-32.1000113
128S29.9Very low39.6Very low122 Ų122131.7 Ų131.785%0.85375%0.748SS**  trans178.2154.7148.756.30000109.9
129L34.2Very low39.3Very low153 Ų153138.6 Ų138.680%0.80176%0.762SS**  trans-115.4131.1-163.8-70.6147.6000112.4
130V31.2Very low39.5Very low126 Ų126142.4 Ų142.476%0.76477%0.77SS**  51.2148.5118.4-177.30000119.1
131P42.4Very low39.3Very low120 Ų120147.1 Ų147.178%0.77979%0.787SS**  cis-131.9166.8-10.433.3-14.1000117.4
132G30.3Very low39.8Very low66 Ų66145.5 Ų145.568%0.6879%0.786SS**  108.8121.812500000121.6
133T31.3Very low40.3Very low148 Ų148151.3 Ų151.391%0.90880%0.796SS**  178130.3106.133.20000114.5
134H29.7Very low40.8Very low178 Ų178154.2 Ų154.282%0.82480%0.796SS**  trans59.6123.3146.9-149-94.8000124.3
135T41.7Very low41.6Very low117 Ų117150.7 Ų150.772%0.71879%0.793SS**  trans-151.7175.4159.358.80000107.3
136P61.3Low42.2Very low104 Ų104146.1 Ų146.168%0.67579%0.791SS**  cis-127.7-148.50.832.5-7000111.9
137P52.3Low43.5Very low115 Ų115147.9 Ų147.975%0.74779%0.791SS**  -144.61428137.3-19.4000118
138I36.5Very low44.5Very low141 Ų141143.5 Ų143.572%0.72379%0.785SS**  trans52.6109.7140.7-56.8174000119.9
139R40.8Very low46Very low250 Ų250148.4 Ų148.494%0.94379%0.785SS**  -134.1148.1114.5-118.5-177170.4120.2-1110.3
140R51.5Low47.2Very low239 Ų239148.5 Ų148.590%0.90279%0.785SS**  trans-76.7131.4-163.8-59.1160.194.3157.92.7111.4
141R41.4Very low48.2Very low250 Ų250151.4 Ų151.494%0.94379%0.788SS**  trans-131153.2162.3-89-168.5174-93.3-1.5111.5
142S52Low49.1Very low86 Ų86154 Ų15460%0.60179%0.787SS**  trans-79156.5-165.7-1710000114.3F144S142-F144 PolarHBondContact O-N 2.74Å
143K56.8Low49.9Very low203 Ų203156 Ų15688%0.88379%0.787SS**THydrogen-bonded Turntrans-74.423.2-175.8-68.4-172.3174.4-176.90115.2
144F53.2Low50.9Low161 Ų161159.6 Ų159.671%0.70679%0.785SS**THydrogen-bonded Turntrans-107.111.1179.9-67.1-66.9000114.5S142 T146 L147S142-F144 PolarHBondContact O-N 2.74Å; F144-T146 PolarHBondContact O-N 2.76Å; F144-L147 PolarHBondContact O-N 3.44Å
145A54.3Low52Low90 Ų90160.1 Ų160.174%0.74479%0.785SS**G310 helixtrans-62.3-12.7-175.800000115.4
146T53.6Low52.3Low132 Ų132165.3 Ų165.381%0.8179%0.791SS**G310 helixtrans-73.7-22.3-178.7-36.60000113.7F144F144-T146 PolarHBondContact O-N 2.76Å
147L56.5Low51.4Low142 Ų142172 Ų17274%0.74380%0.803SS**G310 helixtrans-79.8-14.8-179.4-70.1171.4000113.8F144 R149F144-L147 PolarHBondContact O-N 3.44Å; L147-R149 PolarHBondContact O-N 3.4Å
148G54.3Low51.3Low71 Ų71174.7 Ų174.773%0.73280%0.803SS**THydrogen-bonded Turntrans-70.318-174.300000116.8
149R61.6Low52.1Low225 Ų225177.4 Ų177.485%0.84981%0.81SS**THydrogen-bonded Turntrans-119.9-9.3-179.8-78.5-169.4170.2-148.3-1.6115.6L147L147-R149 PolarHBondContact O-N 3.4Å
150L59Low52.7Low155 Ų155172.7 Ų172.781%0.81280%0.796SS**SBendtrans-80.6-27.7-179.1-123.170.9000114
151F52.1Low53.5Low187 Ų187164 Ų16482%0.8277%0.772SS**  trans-117.780.7174.8-73.8-82000111.3
152K61.9Low55Low174 Ų174159.8 Ų159.876%0.75776%0.763SS**  trans-63.2133.8150.9-64.9174.9-177.6172.50106.7W154K152-W154 PolarHBondContact O-N 2.84Å
153P46.8Very low55.8Low107 Ų107163.5 Ų163.570%0.69577%0.768SS**  trans-58.1133.9173.725-33.4000109.1K155P153-K155 VanDerWaalsContact C-N 3.29Å; P153-K155 PolarHBondContact O-N 3.16Å
154W50.8Low56.5Low224 Ų224159.6 Ų159.685%0.84875%0.751SS**  trans-63.786.2-178.3-81.7-19.6000111.2K152 W156K152-W154 PolarHBondContact O-N 2.84Å; W154-W156 PolarHBondContact O-N 2.8Å
155K53.7Low57.6Low190 Ų190157.9 Ų157.983%0.82674%0.744SS**  trans-71.395.5165.7-69.7-165.9175.9-170.40108P153 R157P153-K155 VanDerWaalsContact C-N 3.29Å; P153-K155 PolarHBondContact O-N 3.16Å; K155-R157 PolarHBondContact O-N 3.24Å
156W47.1Very low58.6Low226 Ų226159.9 Ų159.986%0.85674%0.737SS**  trans-58.483.7171.4-67.785.3000110.4W154 K158W154-W156 PolarHBondContact O-N 2.8Å; W156-K158 VanDerWaalsContact C-N 3.27Å; W156-K158 PolarHBondContact O-N 3.11Å
157R43.9Very low60Low243 Ų243157.5 Ų157.592%0.91772%0.723SS**  trans-69.891.4171.3-142.1-171.1-166.4-144.24106.5K155 K159K155-R157 PolarHBondContact O-N 3.24Å; R157-K159 PolarHBondContact O-N 3.31Å
158K49.4Very low61.1Low172 Ų172152.4 Ų152.475%0.74870%0.699SS**  trans-6677.2-177-168.8169.5-178.5170.70110W156 K160W156-K158 VanDerWaalsContact C-N 3.27Å; W156-K158 PolarHBondContact O-N 3.11Å; K158-K160 VanDerWaalsContact C-N 3.26Å; K158-K160 PolarHBondContact O-N 3.31Å
159K53.5Low62.1Low199 Ų199151 Ų15187%0.86568%0.681SS**  trans-60.592.7168-175.5175.5-176.6177.20105.9R157 S161R157-K159 PolarHBondContact O-N 3.31Å; K159-S161 VanDerWaalsContact C-N 3.28Å; K159-S161 PolarHBondContact O-N 3.11Å
160K53.6Low63Low150 Ų150143.5 Ų143.565%0.65266%0.66SS**  trans-59.495173.9-73.4-172.4172.8-175.90106.5K158 E162K158-K160 VanDerWaalsContact C-N 3.26Å; K158-K160 PolarHBondContact O-N 3.31Å; K160-E162 PolarHBondContact O-N 3.18Å
161S67.9Low63.6Low58 Ų58141.8 Ų141.841%0.40665%0.651SS.*  trans-62.2139.717560.60000107.7K159 K163 F164 K165K159-S161 VanDerWaalsContact C-N 3.28Å; K159-S161 PolarHBondContact O-N 3.11Å; S161-K163 PolarHBondContact O-N 3.18Å; S161-F164 WeakPolarHBondContact O-CB 3.46Å; S161-F164 PolarHBondContact O-N 3.23Å; S161-F164 VanDerWaalsContact OG-CB 3.26Å; S161-F164 WeakPolarHBondContact OG-CB 3.41Å; S161-F164 PolarHBondContact OG-N 3.29Å; S161-K165 PolarHBondContact O-N 3.19Å; S161-K165 VanDerWaalsContact O-N 3.15Å
162E72.8Confident64.7Low161 Ų161138.3 Ų138.375%0.75264%0.637SS**Hα-helixtrans-54.6-42.4174.3-175.9175.1-168.200110.6K160 F164 K165 Q166K160-E162 PolarHBondContact O-N 3.18Å; E162-F164 VanDerWaalsContact C-N 3.29Å; E162-F164 PolarHBondContact O-N 3.34Å; E162-K165 WeakPolarHBondContact O-CA 3.28Å; E162-K165 WeakPolarHBondContact O-CB 3.49Å; E162-K165 PolarHBondContact O-N 3.2Å; E162-Q166 WeakPolarHBondContact O-CB 3.47Å; E162-Q166 PolarHBondContact O-N 2.71Å
163K69.6Low65.2Low164 Ų164138.4 Ų138.471%0.71363%0.633SS**Hα-helixtrans-54-38.6171.6-60.7-170.9176.9-172.40113.2S161 Q166 T167S161-K163 PolarHBondContact O-N 3.18Å; K163-Q166 PolarHBondContact O-N 2.94Å; K163-T167 WeakPolarHBondContact O-CG2 3.44Å; K163-T167 PolarHBondContact O-N 3.33Å; K163-T167 PolarHBondContact O-OG1 2.98Å; K163-T167 VanDerWaalsContact O-OG1 3.14Å
164F70.9Confident66.3Low120 Ų120139.9 Ų139.953%0.52663%0.628SS.*Hα-helixtrans-70.4-38.7175-176.1-88.1000112.6S161 E162 Q166 T167 S168S161-F164 WeakPolarHBondContact O-CB 3.46Å; S161-F164 PolarHBondContact O-N 3.23Å; S161-F164 VanDerWaalsContact OG-CB 3.26Å; S161-F164 WeakPolarHBondContact OG-CB 3.41Å; S161-F164 PolarHBondContact OG-N 3.29Å; E162-F164 VanDerWaalsContact C-N 3.29Å; E162-F164 PolarHBondContact O-N 3.34Å; F164-Q166 VanDerWaalsContact C-N 3.31Å; F164-T167 WeakPolarHBondContact CA-OG1 3.33Å; F164-T167 PolarHBondContact O-N 2.98Å; F164-T167 PolarHBondContact O-OG1 2.97Å; F164-S168 WeakPolarHBondContact O-CB 3.39Å; F164-S168 PolarHBondContact O-N 3.36Å; F164-S168 PolarHBondContact O-OG 3.08Å
165K75.4Confident66.5Low126 Ų126135.7 Ų135.755%0.54862%0.62SS.*Hα-helixtrans-63.4-39.7172.7-60-177.3-176.3176.70111.2S161 E162 S168 A169S161-K165 PolarHBondContact O-N 3.19Å; S161-K165 VanDerWaalsContact O-N 3.15Å; E162-K165 WeakPolarHBondContact O-CA 3.28Å; E162-K165 WeakPolarHBondContact O-CB 3.49Å; E162-K165 PolarHBondContact O-N 3.2Å; K165-S168 PolarHBondContact O-N 2.86Å; K165-S168 PolarHBondContact O-OG 2.91Å; K165-A169 WeakPolarHBondContact O-CB 3.35Å; K165-A169 PolarHBondContact O-N 3.47Å
166Q77.3Confident66.5Low131 Ų131131.6 Ų131.661%0.61262%0.615SS**Hα-helixtrans-67.5-43.6178.9-165177.923.800110.8E162 K163 F164 V170E162-Q166 WeakPolarHBondContact O-CB 3.47Å; E162-Q166 PolarHBondContact O-N 2.71Å; K163-Q166 PolarHBondContact O-N 2.94Å; F164-Q166 VanDerWaalsContact C-N 3.31Å; Q166-V170 WeakPolarHBondContact O-CB 3.47Å; Q166-V170 VanDerWaalsContact O-CG2 3.27Å; Q166-V170 WeakPolarHBondContact O-CG2 3.49Å; Q166-V170 PolarHBondContact O-N 2.7Å
167T81.1Confident66.9Low83 Ų83126 Ų12651%0.50961%0.606SS.*Hα-helixtrans-67.2-36173.654.70000112.5K163 F164 V170 L171K163-T167 WeakPolarHBondContact O-CG2 3.44Å; K163-T167 PolarHBondContact O-N 3.33Å; K163-T167 PolarHBondContact O-OG1 2.98Å; K163-T167 VanDerWaalsContact O-OG1 3.14Å; F164-T167 WeakPolarHBondContact CA-OG1 3.33Å; F164-T167 PolarHBondContact O-N 2.98Å; F164-T167 PolarHBondContact O-OG1 2.97Å; T167-V170 PolarHBondContact O-N 2.81Å; T167-L171 WeakPolarHBondContact O-CB 3.24Å; T167-L171 PolarHBondContact O-N 3.26Å
168S80.6Confident67.9Low35 Ų35124.2 Ų124.225%0.24560%0.599CS.*Hα-helixtrans-67.6-45.2176.173.20000111.5F164 K165 V170 L171 E172F164-S168 WeakPolarHBondContact O-CB 3.39Å; F164-S168 PolarHBondContact O-N 3.36Å; F164-S168 PolarHBondContact O-OG 3.08Å; K165-S168 PolarHBondContact O-N 2.86Å; K165-S168 PolarHBondContact O-OG 2.91Å; S168-V170 VanDerWaalsContact C-N 3.31Å; S168-V170 PolarHBondContact O-N 2.99Å; S168-L171 CarbonylContact O-C 3.56Å; S168-L171 WeakPolarHBondContact O-CA 3.49Å; S168-L171 WeakPolarHBondContact O-CB 3.27Å; S168-L171 PolarHBondContact O-N 3.16Å; S168-E172 WeakPolarHBondContact O-CB 3.39Å; S168-E172 VanDerWaalsContact O-CG 3.3Å; S168-E172 WeakPolarHBondContact O-CG 3.44Å; S168-E172 PolarHBondContact O-N 2.92Å
169A75.9Confident69.1Low41 Ų41120.7 Ų120.734%0.33959%0.585SS.*Hα-helixtrans-63.6-33.8176.100000113K165 R173K165-A169 WeakPolarHBondContact O-CB 3.35Å; K165-A169 PolarHBondContact O-N 3.47Å; A169-R173 WeakPolarHBondContact O-CB 3.17Å; A169-R173 PolarHBondContact O-N 3.11Å
170V79Confident70.3Confident67 Ų67113 Ų11341%0.40656%0.557SS.*Hα-helixtrans-70.5-34.7171.4169.10000111.6Q166 T167 S168 K174Q166-V170 WeakPolarHBondContact O-CB 3.47Å; Q166-V170 VanDerWaalsContact O-CG2 3.27Å; Q166-V170 WeakPolarHBondContact O-CG2 3.49Å; Q166-V170 PolarHBondContact O-N 2.7Å; T167-V170 PolarHBondContact O-N 2.81Å; S168-V170 VanDerWaalsContact C-N 3.31Å; S168-V170 PolarHBondContact O-N 2.99Å; V170-K174 HydrophobicContact CG1-CD 4.38Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 WeakPolarHBondContact O-CG 3.48Å; V170-K174 PolarHBondContact O-N 3.25Å
171L71.9Confident71.3Confident120 Ų120112.2 Ų112.263%0.62855%0.55SS*.Hα-helixtrans-68.7-46.5174-137.978.6000111.4T167 S168 R173 K174 M175T167-L171 WeakPolarHBondContact O-CB 3.24Å; T167-L171 PolarHBondContact O-N 3.26Å; S168-L171 CarbonylContact O-C 3.56Å; S168-L171 WeakPolarHBondContact O-CA 3.49Å; S168-L171 WeakPolarHBondContact O-CB 3.27Å; S168-L171 PolarHBondContact O-N 3.16Å; L171-R173 VanDerWaalsContact C-N 3.35Å; L171-R173 PolarHBondContact O-N 3.05Å; L171-K174 CarbonylContact O-C 3.51Å; L171-K174 PolarHBondContact O-N 2.89Å; L171-K174 VanDerWaalsContact O-N 3.09Å; L171-M175 WeakPolarHBondContact O-CG 3.43Å; L171-M175 PolarHBondContact O-N 3.28Å
172E75.6Confident71.7Confident113 Ų113115.6 Ų115.653%0.52856%0.559SS.*Hα-helixtrans-58.5-44.5176.7-74.4158.9-17300110.9S168 M175 S176S168-E172 WeakPolarHBondContact O-CB 3.39Å; S168-E172 VanDerWaalsContact O-CG 3.3Å; S168-E172 WeakPolarHBondContact O-CG 3.44Å; S168-E172 PolarHBondContact O-N 2.92Å; E172-M175 WeakPolarHBondContact O-CG 3.49Å; E172-S176 WeakPolarHBondContact O-CB 3.11Å; E172-S176 PolarHBondContact O-N 2.83Å
173R73.5Confident72Confident177 Ų177112.4 Ų112.467%0.66854%0.544SS*.Hα-helixtrans-63.1-43.5172-168.3173.2-64.9142.52.9112.1A169 L171 S176 T177A169-R173 WeakPolarHBondContact O-CB 3.17Å; A169-R173 PolarHBondContact O-N 3.11Å; L171-R173 VanDerWaalsContact C-N 3.35Å; L171-R173 PolarHBondContact O-N 3.05Å; R173-S176 CarbonylContact O-C 3.56Å; R173-S176 WeakPolarHBondContact O-CA 3.15Å; R173-S176 WeakPolarHBondContact O-CB 3.21Å; R173-S176 PolarHBondContact O-N 3.47Å; R173-T177 PolarHBondContact O-N 2.91Å; R173-T177 PolarHBondContact O-OG1 3.25Å
174K67.8Low72.5Confident138 Ų138107.2 Ų107.260%0.652%0.524SS*.Hα-helixtrans-70.8-32.5-179.2-80.6-173.2173.2-170.20114.4V170 L171 T177 R178V170-K174 HydrophobicContact CG1-CD 4.38Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 WeakPolarHBondContact O-CG 3.48Å; V170-K174 PolarHBondContact O-N 3.25Å; L171-K174 CarbonylContact O-C 3.51Å; L171-K174 PolarHBondContact O-N 2.89Å; L171-K174 VanDerWaalsContact O-N 3.09Å; K174-T177 PolarHBondContact O-N 2.96Å; K174-R178 PolarHBondContact O-N 3.47Å
175M55.3Low73Confident135 Ų135103.1 Ų103.167%0.66551%0.507SS*.Hα-helixtrans-69.7-36.4169.462.2-170.6-80.300110.7L171 E172 T177 R178L171-M175 WeakPolarHBondContact O-CG 3.43Å; L171-M175 PolarHBondContact O-N 3.28Å; E172-M175 WeakPolarHBondContact O-CG 3.49Å; M175-T177 PolarHBondContact O-N 3.11Å; M175-R178 PolarHBondContact O-N 3.38Å
176S55.5Low73.6Confident104 Ų104106.2 Ų106.273%0.72752%0.521SS*.THydrogen-bonded Turntrans-70.9-5.6170.3-172.10000114.7E172 R173E172-S176 WeakPolarHBondContact O-CB 3.11Å; E172-S176 PolarHBondContact O-N 2.83Å; R173-S176 CarbonylContact O-C 3.56Å; R173-S176 WeakPolarHBondContact O-CA 3.15Å; R173-S176 WeakPolarHBondContact O-CB 3.21Å; R173-S176 PolarHBondContact O-N 3.47Å
177T55Low73.8Confident110 Ų110105.6 Ų105.668%0.67552%0.516SS*.THydrogen-bonded Turntrans-104.42.2171.4-17.20000112.8R173 K174 M175R173-T177 PolarHBondContact O-N 2.91Å; R173-T177 PolarHBondContact O-OG1 3.25Å; K174-T177 PolarHBondContact O-N 2.96Å; M175-T177 PolarHBondContact O-N 3.11Å
178R65.1Low73.5Confident205 Ų205104.9 Ų104.977%0.77453%0.525SS*.SBendtrans-100.8145.3170-70.5178.3173.7-154.8-7107.8K174 M175 S180K174-R178 PolarHBondContact O-N 3.47Å; M175-R178 PolarHBondContact O-N 3.38Å; R178-S180 PolarHBondContact O-N 3.46Å
179Q73.7Confident73.2Confident97 Ų97109.3 Ų109.345%0.45355%0.545SS..PPolyproline II helixtrans-56.4137.2177.4-65.3178.428.800109.5E183 L184 K187Q179-E183 WeakPolarHBondContact CA-OE2 3.36Å; Q179-E183 HydrophobicContact CB-CB 4.24Å; Q179-E183 WeakPolarHBondContact CB-OE2 3.5Å; Q179-L184 HydrophobicContact CB-CD2 4.16Å; Q179-L184 HydrophobicContact CB-CG 4.24Å; Q179-K187 VanDerWaalsContact CD-NZ 3.31Å
180S78.9Confident72.6Confident39 Ų39110.9 Ų110.927%0.27355%0.548SS..PPolyproline II helixtrans-65.8163.2-173.396.30000111.3R178 E182 E183 L184R178-S180 PolarHBondContact O-N 3.46Å; S180-E182 VanDerWaalsContact CB-OE2 3.27Å; S180-E182 WeakPolarHBondContact CB-OE2 3.41Å; S180-E182 PolarHBondContact O-N 3.26Å; S180-E182 PolarHBondContact OG-N 3.07Å; S180-E182 VanDerWaalsContact OG-N 3.11Å; S180-E182 PolarHBondContact OG-OE2 3.12Å; S180-E183 PolarHBondContact N-OE2 3.08Å; S180-E183 PolarHBondContact O-N 3.27Å; S180-E183 VanDerWaalsContact O-N 3.15Å; S180-E183 PolarHBondContact OG-N 3.44Å; S180-L184 WeakPolarHBondContact O-CG 3.47Å; S180-L184 PolarHBondContact O-N 3.15Å
181R74.7Confident71.9Confident132 Ų132116.6 Ų116.650%0.49857%0.567SS.*Hα-helixtrans-58-39172.9-175.2-179.5173.9-100.54.6110.5I185 L190 V193R181-I185 HydrophobicContact CG-CD1 4.06Å; R181-I185 WeakPolarHBondContact O-CD1 3.43Å; R181-I185 VanDerWaalsContact O-CG1 3.24Å; R181-I185 WeakPolarHBondContact O-CG1 3.35Å; R181-I185 PolarHBondContact O-N 3.24Å; R181-L190 HydrophobicContact CG-CD2 3.72Å; R181-V193 PolarHBondContact NH2-O 2.64Å
182E75.4Confident71.7Confident130 Ų130116 Ų11661%0.60756%0.561SS**Hα-helixtrans-68.2-38.2176.1-50.478.7-146.600112.2S180 I185 K186S180-E182 VanDerWaalsContact CB-OE2 3.27Å; S180-E182 WeakPolarHBondContact CB-OE2 3.41Å; S180-E182 PolarHBondContact O-N 3.26Å; S180-E182 PolarHBondContact OG-N 3.07Å; S180-E182 VanDerWaalsContact OG-N 3.11Å; S180-E182 PolarHBondContact OG-OE2 3.12Å; E182-I185 PolarHBondContact O-N 2.66Å; E182-K186 VanDerWaalsContact O-CB 3.3Å; E182-K186 WeakPolarHBondContact O-CB 3.36Å; E182-K186 PolarHBondContact O-N 2.92Å
183E79.8Confident71Confident93 Ų93115.3 Ų115.344%0.43557%0.565SS.*Hα-helixtrans-66.2-38.8175.9-69.2-177.5139.500112.6Q179 S180 K186 K187Q179-E183 WeakPolarHBondContact CA-OE2 3.36Å; Q179-E183 HydrophobicContact CB-CB 4.24Å; Q179-E183 WeakPolarHBondContact CB-OE2 3.5Å; S180-E183 PolarHBondContact N-OE2 3.08Å; S180-E183 PolarHBondContact O-N 3.27Å; S180-E183 VanDerWaalsContact O-N 3.15Å; S180-E183 PolarHBondContact OG-N 3.44Å; E183-K186 PolarHBondContact O-N 3.03Å; E183-K187 WeakPolarHBondContact O-CB 3.23Å; E183-K187 VanDerWaalsContact O-CG 3.29Å; E183-K187 WeakPolarHBondContact O-CG 3.32Å; E183-K187 PolarHBondContact O-N 2.96Å
184L79.9Confident70Confident56 Ų56114.9 Ų114.929%0.29356%0.564SS.*Hα-helixtrans-68.8-36175.5-67.5173.7000111.8Q179 S180 K187 G188 L189 L190Q179-L184 HydrophobicContact CB-CD2 4.16Å; Q179-L184 HydrophobicContact CB-CG 4.24Å; S180-L184 WeakPolarHBondContact O-CG 3.47Å; S180-L184 PolarHBondContact O-N 3.15Å; L184-K187 PolarHBondContact O-N 3.32Å; L184-G188 PolarHBondContact O-N 3.1Å; L184-L189 HydrophobicContact CD2-CB 4.29Å; L184-L189 HydrophobicContact CD2-CD1 3.96Å; L184-L189 PolarHBondContact O-N 3.08Å; L184-L190 HydrophobicContact CB-CB 4.06Å; L184-L190 PolarHBondContact O-N 2.91Å
185I82.1Confident69Low33 Ų33117.9 Ų117.917%0.16958%0.58CS.*Hα-helixtrans-64.5-48.1170.6-70.1163.8000110.5R181 E182 K187 G188 L190 E192R181-I185 HydrophobicContact CG-CD1 4.06Å; R181-I185 WeakPolarHBondContact O-CD1 3.43Å; R181-I185 VanDerWaalsContact O-CG1 3.24Å; R181-I185 WeakPolarHBondContact O-CG1 3.35Å; R181-I185 PolarHBondContact O-N 3.24Å; E182-I185 PolarHBondContact O-N 2.66Å; I185-K187 PolarHBondContact O-N 3.25Å; I185-K187 VanDerWaalsContact O-N 3.17Å; I185-G188 PolarHBondContact O-N 2.69Å; I185-L190 WeakPolarHBondContact CA-O 3.45Å; I185-L190 HydrophobicContact CG1-CB 4.1Å; I185-L190 HydrophobicContact CG1-CD2 4.19Å; I185-L190 HydrophobicContact CG1-CG 4.33Å; I185-L190 WeakPolarHBondContact CG1-O 3.46Å; I185-E192 HydrophobicContact CG2-CB 3.85Å; I185-E192 HydrophobicContact CG2-CG 4.1Å
186K86.9Confident68.3Low191 Ų191120.6 Ų120.683%0.8359%0.588SS**Hα-helixtrans-62.6-22.6178.9-171.2174.6-179.5-178.50113.3E182 E183E182-K186 VanDerWaalsContact O-CB 3.3Å; E182-K186 WeakPolarHBondContact O-CB 3.36Å; E182-K186 PolarHBondContact O-N 2.92Å; E183-K186 PolarHBondContact O-N 3.03Å
187K82.1Confident67.5Low118 Ų118123.5 Ų123.551%0.51360%0.595SS.*THydrogen-bonded Turntrans-94.25.7173.9-69.2176.3-174.3-177.90113.9Q179 E183 L184 I185 L189Q179-K187 VanDerWaalsContact CD-NZ 3.31Å; E183-K187 WeakPolarHBondContact O-CB 3.23Å; E183-K187 VanDerWaalsContact O-CG 3.29Å; E183-K187 WeakPolarHBondContact O-CG 3.32Å; E183-K187 PolarHBondContact O-N 2.96Å; L184-K187 PolarHBondContact O-N 3.32Å; I185-K187 PolarHBondContact O-N 3.25Å; I185-K187 VanDerWaalsContact O-N 3.17Å; K187-L189 HydrophobicContact CB-CD1 4.16Å; K187-L189 HydrophobicContact CB-CG 4.27Å; K187-L189 PolarHBondContact O-N 3.42Å; K187-L189 VanDerWaalsContact O-N 3.11Å
188G74.1Confident66.5Low68 Ų68121.4 Ų121.470%0.70160%0.596SS**THydrogen-bonded Turntrans70.9-2.3-178.400000115.4L184 I185 L190L184-G188 PolarHBondContact O-N 3.1Å; I185-G188 PolarHBondContact O-N 2.69Å; G188-L190 PolarHBondContact O-N 3.27Å
189L74.9Confident64.9Low128 Ų128118.1 Ų118.167%0.6760%0.599SS**SBendtrans-74.7-12.2-177.9-67170.7000113.4L184 K187L184-L189 HydrophobicContact CD2-CB 4.29Å; L184-L189 HydrophobicContact CD2-CD1 3.96Å; L184-L189 PolarHBondContact O-N 3.08Å; K187-L189 HydrophobicContact CB-CD1 4.16Å; K187-L189 HydrophobicContact CB-CG 4.27Å; K187-L189 PolarHBondContact O-N 3.42Å; K187-L189 VanDerWaalsContact O-N 3.11Å
190L62.8Low63Low74 Ų74118.6 Ų118.639%0.38761%0.613SS.*SBendtrans-140.6127.5176.3-17070.1000110.1R181 L184 I185 G188R181-L190 HydrophobicContact CG-CD2 3.72Å; L184-L190 HydrophobicContact CB-CB 4.06Å; L184-L190 PolarHBondContact O-N 2.91Å; I185-L190 WeakPolarHBondContact CA-O 3.45Å; I185-L190 HydrophobicContact CG1-CB 4.1Å; I185-L190 HydrophobicContact CG1-CD2 4.19Å; I185-L190 HydrophobicContact CG1-CG 4.33Å; I185-L190 WeakPolarHBondContact CG1-O 3.46Å; G188-L190 PolarHBondContact O-N 3.27Å
191K65.1Low60.9Low188 Ų188121.9 Ų121.982%0.81764%0.636SS**  trans-69.9132.4-179.1-161.8166.4-173170.50110.7V193K191-V193 PolarHBondContact O-N 3.11Å
192E67.8Low59.1Low108 Ų108121.2 Ų121.251%0.50565%0.648SS.*  trans-72.496.9-179.3-167.5175.3-154.300111.2I185 Y194I185-E192 HydrophobicContact CG2-CB 3.85Å; I185-E192 HydrophobicContact CG2-CG 4.1Å; E192-Y194 HydrophobicContact CG-CD2 4.04Å; E192-Y194 HydrophobicContact CG-CE2 3.61Å; E192-Y194 WeakPolarHBondContact OE1-CE2 3.28Å; E192-Y194 VanDerWaalsContact OE1-CZ 3.26Å; E192-Y194 PolarHBondContact OE1-OH 3.18Å
193V60.8Low57.1Low98 Ų98121.1 Ų121.159%0.59466%0.656SS**  trans-93.3108.7169.5-174.20000108.4R181 K191R181-V193 PolarHBondContact NH2-O 2.64Å; K191-V193 PolarHBondContact O-N 3.11Å
194Y52Low54.7Low168 Ų168124.3 Ų124.366%0.65968%0.676SS**  trans-74.2121.4164.6-79.6-89.4000109.5E192 K196E192-Y194 HydrophobicContact CG-CD2 4.04Å; E192-Y194 HydrophobicContact CG-CE2 3.61Å; E192-Y194 WeakPolarHBondContact OE1-CE2 3.28Å; E192-Y194 VanDerWaalsContact OE1-CZ 3.26Å; E192-Y194 PolarHBondContact OE1-OH 3.18Å; Y194-K196 PolarHBondContact O-N 3.2Å
195E47.8Very low52.5Low200 Ų200132 Ų13294%0.93570%0.701SS**  trans-68.4112.6160.5-71.7-174.6126.700108
196K40.3Very low50.1Low193 Ų193139.6 Ų139.684%0.83974%0.736SS**  trans-133.2108.2178.6-170.1177.4-177-179.30109.7Y194Y194-K196 PolarHBondContact O-N 3.2Å
197D37.8Very low47.3Very low164 Ų164138.6 Ų138.688%0.87773%0.734SS**  trans-61.6139.8175.8-68.5-69.3000112.1
198G34.8Very low44.9Very low66 Ų66139 Ų13968%0.6875%0.746SS**  trans94.294.6149.500000118.5
199T32Very low42.7Very low136 Ų136143.5 Ų143.583%0.83475%0.746SS**  trans92.4131.4141.1-41.20000119
200S33.1Very low40.6Very low108 Ų108144.4 Ų144.476%0.75575%0.749SS**  trans53.5104.5162.358.20000119.2
201S35Very low38.9Very low108 Ų108148.4 Ų148.476%0.75577%0.765SS**PPolyproline II helixtrans-92.4134.5148.3177.80000109.4
202P36.2Very low37.3Very low117 Ų117146.4 Ų146.476%0.7676%0.764SS**PPolyproline II helixtrans-84.9128.9166.433-29.7000110.7
203V33.8Very low35.5Very low128 Ų128145 Ų14578%0.77678%0.779SS**PPolyproline II helixtrans-90.7121.8170.1175.50000109.5
204L30.3Very low34Very low160 Ų160152.2 Ų152.284%0.83880%0.795SS**  trans-125126.7152.5-64.6174.2000104.8
205R31.9Very low32.8Very low218 Ų218149.3 Ų149.382%0.82380%0.799SS**  52.775.552.2-84.8-162.3176-102.83.2112.1
206E31.9Very low32.6Very low193 Ų193145.4 Ų145.490%0.90279%0.791SS**  trans-70.3124.1152.2177.8-178.1168.100109.2
207E29.6Very low31.9Very low169 Ų169140.8 Ų140.879%0.7979%0.789SS**  trans-151.3124.7143.1-89.9-163.1-169.900109
208V31.3Very low31.7Very low127 Ų127140.8 Ų140.877%0.7779%0.788SS**  trans14.4129.8146.7-152.70000118.7
209K26.8Very low31.3Very low163 Ų163143.1 Ų143.171%0.70979%0.794SS**  152.4116.4109.4-165.1143.6178.4160.20116
210M31Very low31Very low147 Ų147141.9 Ų141.972%0.72479%0.791SS**  trans69.1111.9148.2-77163.7-177.400122.7
211E28.5Very low30.8Very low157 Ų157144.1 Ų144.173%0.73479%0.793SS**  83.1129.7110.2-140.9-158.8119.900122.6
212N31.7Very low31.3Very low147 Ų147144.1 Ų144.179%0.78679%0.79SS**  trans45.9112.7152.2-75-30.5000121.2
213G29Very low30.9Very low79 Ų79143.9 Ų143.981%0.81479%0.792SS**  trans-162.517.2-177.500000121.7
214R28.6Very low30.6Very low249 Ų249145.9 Ų145.994%0.9479%0.793SS**  trans43.7111.9160.4-162.7-179.6-171.2-161.74.2120.6
215S27.8Very low31.2Very low106 Ų106143.3 Ų143.374%0.74179%0.786SS**  trans-71.5-178.7166.24.30000114.4
216P43.5Very low30.9Very low118 Ų118141.7 Ų141.777%0.76679%0.787SS**  cis-140.9-173.7-2438.6-19.9000115
217A24.4Very low30.7Very low97 Ų97135.8 Ų135.880%0.80278%0.778SS**  trans70.1168.6142.700000121.5
218L33.8Very low31.5Very low163 Ų163133.5 Ų133.585%0.85378%0.778SS**  trans-121.4159.8-176-78171.4000112.1
219S26.6Very low31.4Very low116 Ų116135 Ų13581%0.81178%0.776SS**  trans77.6151.6153.178.90000119.8
220S25.9Very low31.8Very low110 Ų110133.3 Ų133.377%0.76977%0.774SS**  trans-130.6115171.2-59.30000109.3
221I28.6Very low32Very low155 Ų155133.3 Ų133.380%0.79577%0.774SS**  48.3135110.7-73.3170.4000117.4
222P46.5Very low32.2Very low107 Ų107134 Ų13470%0.69578%0.778SS**  cis-149-174.4-12.539.7-18.4000117.9
223S27.1Very low32.1Very low113 Ų113130.3 Ų130.379%0.7978%0.775SS**  trans105.6117.7139-65.60000122.2
224E27.6Very low32.3Very low170 Ų170131.3 Ų131.379%0.79478%0.775SS**  trans-56.7175.6152.8-74.1-69.1125.300113.5
225P43.3Very low32.4Very low106 Ų106126.8 Ų126.869%0.68878%0.775SS**  cis-146-17324.433.4-7.3000119.4
226E26.5Very low32.6Very low184 Ų184126.2 Ų126.286%0.8678%0.777SS**  trans96.6138.8154.7-50.4-156.5122.900120.6
227G26.6Very low32.1Very low68 Ų68125.1 Ų125.170%0.70178%0.778SS**  trans-105.8-149.2167.600000111.5
228P45.9Very low32.4Very low121 Ų121127 Ų12779%0.78678%0.779SS**  cis-146.9-162.216.143.3-21.7000116.3
229E30.3Very low32.2Very low158 Ų158124 Ų12474%0.73878%0.778SS**  trans88.1143.4143.4-83.2-74.478.300124.8
230L34.8Very low32.2Very low129 Ų129121.7 Ų121.768%0.67577%0.772SS**  trans67.9130.6164.5-60.1168.1000119.1
231M34.9Very low32.4Very low147 Ų147122.5 Ų122.572%0.72478%0.776SS**  cis82138.243.1-168.3170.9164.800111.6
232E33.2Very low32.5Very low171 Ų171122.2 Ų122.280%0.79978%0.775SS**  cis-141.5-172.715.8-136.8167.1163.300108.6
233G29.7Very low31.7Very low70 Ų70124.4 Ų124.472%0.72278%0.776SS**  cis179.4172.47.300000110.4
234A32.9Very low31.7Very low99 Ų99127.7 Ų127.782%0.81878%0.777SS**  trans-111.4168.3-171.800000114.4
235T29.9Very low31.8Very low154 Ų154126.6 Ų126.695%0.94577%0.772SS**  trans-166.4163.2147.518.40000111.1
236A33.3Very low31.2Very low94 Ų94128.8 Ų128.878%0.77778%0.775SS**  trans-153.4-173.5-178.100000111.3
237A32.5Very low31.4Very low95 Ų95128 Ų12879%0.78577%0.771SS**  trans79.315916500000116.4
238V30.1Very low31.6Very low136 Ų136130.2 Ų130.282%0.82478%0.776SS**  cis-166.9159.8-14.61170000111.7
239A29.6Very low31.1Very low102 Ų102133.9 Ų133.984%0.84378%0.782SS**  trans62.8159.516300000120.4
240G27.5Very low30.9Very low66 Ų66130 Ų13068%0.6879%0.785SS**  cis156.7154.4-13.800000115.7
241C29.6Very low30.9Very low128 Ų128130.4 Ų130.487%0.86579%0.793SS**  trans65.2158.3168.4-67.50000118.1
242L31.7Very low30.5Very low148 Ų148129.6 Ų129.678%0.77580%0.8SS**  cis-152.2-171.2-6.3-122.7169.3000111.2
243E28.8Very low30.8Very low153 Ų153129.8 Ų129.872%0.71580%0.801SS**  trans-74.2157-172.1-60.2161114.100116.9
244F27Very low31.4Very low182 Ų182132 Ų13280%0.79880%0.803SS**  -176.5173.7104.2-124.6-103.8000116.5
245Q30Very low31.3Very low148 Ų148134.6 Ų134.669%0.69280%0.803SS**  trans-75.5130-158.4-177.6177.851.300120.8
246M29.9Very low31.3Very low151 Ų151136 Ų13674%0.74480%0.799SS**  36.7153127.6-148.1162.966.700125
247Q32.1Very low31Very low167 Ų167135.8 Ų135.878%0.7880%0.797SS**  trans85.5153.4167.9-53.5-168.725.100116.6
248S30.4Very low31.1Very low115 Ų115140.8 Ų140.880%0.80480%0.804SS**  cis-152.9-175.2-449.20000111.8
249E34.8Very low31.1Very low198 Ų198141.9 Ų141.993%0.92581%0.805SS**  trans-79.4166.8178.6-58.5-179.5111.900115.1
250G27.3Very low31.1Very low77 Ų77142.7 Ų142.779%0.79481%0.805SS**  trans-174.5144168.500000114.8
251T34.4Very low31.1Very low138 Ų138146.7 Ų146.785%0.84781%0.811SS**  trans-131.5143.4-172.4-67.80000111.6
252C26.7Very low31.7Very low129 Ų129146.8 Ų146.887%0.87281%0.809SS**  trans-179.9164.8141-1040000115.8
253Q39Very low31.7Very low176 Ų176145.8 Ų145.882%0.82281%0.81SS**  trans-94.1168.3179-81.4-91.564.300112.6
254P42Very low33.3Very low116 Ų116143.9 Ų143.975%0.75381%0.81SS**  -157.2148.496.640.4-20.4000120.2
255D31.2Very low34.3Very low153 Ų153140.8 Ų140.882%0.81881%0.809SS**  trans69.9159.7138.4-118.4-76.5000128.2
256Q29.2Very low34.5Very low185 Ų185137.9 Ų137.986%0.86481%0.81SS**  trans98.1148.2158.9-142.2153.3107.900121.2
257A27.6Very low34.8Very low89 Ų89140 Ų14074%0.73682%0.815SS**  trans-152170-155.500000115.3
258Q34.7Very low34.9Very low200 Ų200136.9 Ų136.994%0.93582%0.818SS**  trans-164175156.3-112.917137.400114.3
259N28.7Very low34.9Very low158 Ų158137 Ų13785%0.84582%0.818SS**  trans-138.5155.7-159.1-106.1-25.4000114.2
260S29.9Very low34.7Very low120 Ų120132 Ų13284%0.83981%0.811SS**  trans154.6161.8130.158.10000116.5
261N28.8Very low34.8Very low150 Ų150132.1 Ų132.180%0.80281%0.805SS**  trans-104.1173.3-177.2-62.8-55.5000113
262P41.5Very low34.6Very low129 Ų129135.2 Ų135.284%0.83881%0.807SS**  -146.1-168101.538-20.7000115.5
263T31.3Very low35.6Very low128 Ų128134.2 Ų134.279%0.78580%0.799SS**  trans-142.6-158-170.7-34.90000113
264P63.8Low35.2Very low112 Ų112130.1 Ų130.173%0.72780%0.795SS**  -96.3-170.1-123.243.3-29.7000116.1
265P47.9Very low34.7Very low118 Ų118132.2 Ų132.277%0.76680%0.8SS**  -156.8161.7106.139.8-21.7000119.8
266A33.4Very low34.7Very low86 Ų86128 Ų12871%0.71179%0.793SS**  trans67.7152.9144.300000121.8
267K36Very low34.9Very low197 Ų197124.7 Ų124.786%0.85779%0.79SS**  cis-168.5153.3-12.5-109.7173.4-179.4177.80111.6
268A34.3Very low35Very low101 Ų101128.8 Ų128.884%0.83579%0.794SS**  trans64.8154.7151.800000120.5
269S31.6Very low35Very low116 Ų116123.6 Ų123.681%0.81178%0.78SS**  cis-168.3157-23.1-171.50000112.3
270A29.6Very low36.1Very low95 Ų95120.8 Ų120.879%0.78577%0.77SS**  trans69.7161.9156.100000121.3
271A30.3Very low36.2Very low79 Ų79126.2 Ų126.265%0.65377%0.772SS**  cis-177121.3-39.500000112.1
272F28.4Very low36.4Very low202 Ų202124.6 Ų124.689%0.88677%0.773SS**  trans58.8175.3153.1-71.2-60.2000120
273P47.6Very low36Very low108 Ų108129.7 Ų129.770%0.70178%0.775SS**  cis-136.1169.9-44.137.9-22.7000115.3
274A31.1Very low36.5Very low91 Ų91129.2 Ų129.275%0.75277%0.774SS**  trans55.8177.4144.600000119.6
275D30.9Very low35.8Very low160 Ų160128.5 Ų128.586%0.85677%0.77SS**  cis-152.7163.4-8.3-145-30.2000111.4
276G32.7Very low35.2Very low65 Ų65129 Ų12967%0.6777%0.77SS**  trans69.4162161.600000118.9
277S33.5Very low35.2Very low114 Ų114132.2 Ų132.280%0.79778%0.775SS**  cis-157.8152.9-12.9570000112.2
278E28.7Very low35.1Very low175 Ų175130.4 Ų130.482%0.81877%0.769SS**  trans8.8148.3140.5-77.5-131.384.700121.1
279S34.2Very low35Very low92 Ų92134.9 Ų134.964%0.64377%0.77SS**  cis-171.9-148.2-2.9-148.70000108.7
280P53.4Low35Very low99 Ų99137.8 Ų137.864%0.64377%0.771SS**  trans-126.6-155.1-139.437.8-13.6000115.6
281R32Very low35.3Very low233 Ų233138.6 Ų138.688%0.87977%0.768SS**  trans90.2148.8171.5-52.5168.6-172.3-160.22114.6
282S31.8Very low35.8Very low116 Ų116141.2 Ų141.281%0.81178%0.778SS**  cis-163.9162.9-11.3400000112.7
283R32.6Very low36.5Very low236 Ų236136 Ų13689%0.89177%0.772SS**  trans-72.9-179163.4-78.8-177.4172.9-178-0.8111.7
284P41.9Very low35.8Very low118 Ų118138.8 Ų138.877%0.76678%0.78SS**  cis-126.6-118.3-1.923.74.2000116.1
285P49.1Very low36.2Very low98 Ų98139.9 Ų139.964%0.63678%0.78SS**  -133.4157.3-103.942.5-25.8000120.9
286T36.1Very low37.1Very low127 Ų127137.3 Ų137.378%0.77977%0.772SS**  trans63.1150.4138.857.60000125.7
287L33.5Very low37.2Very low154 Ų154141.6 Ų141.681%0.80677%0.772SS**  trans9496.5154.2-72.9173.7000122.8
288H33.1Very low37.9Very low159 Ų159142.4 Ų142.474%0.73678%0.775SS**  56.7116.5112-167.644.6000122.2
289K32.1Very low38.5Very low195 Ų195141.9 Ų141.985%0.84877%0.77SS**  -175.1173122.5-103.4171.4-175.1-175.60113.9
290Q33.3Very low38.3Very low178 Ų178142.8 Ų142.883%0.83278%0.776SS**  trans-126.3145-174.7-176.1-172.410.500111.1
291P35.3Very low37.2Very low112 Ų112149 Ų14973%0.72779%0.787SS**  trans-101.6167172.436.8-30.8000114.5
292P41.3Very low37.6Very low134 Ų134145.2 Ų145.287%0.8778%0.783SS**  trans-108.3-172.5-161.142.2-36.2000115.9
293A42.2Very low38.5Very low91 Ų91145 Ų14575%0.75278%0.779SS**  trans-113.3159.4-178.700000114
294L33.3Very low38.8Very low167 Ų167140.2 Ų140.287%0.87477%0.771SS**  trans-142.5166.2178.2-77.5-178.6000112.1
295P39.3Very low38.6Very low114 Ų114142.4 Ų142.474%0.7477%0.771SS**  trans-126.4-145.6-140.150.6-36.1000114.7
296P48.9Very low38Very low106 Ų106144.5 Ų144.569%0.68878%0.775SS**  -140.4173.7-124.739.2-15000120.2
297K35Very low38.1Very low155 Ų155143.7 Ų143.767%0.67477%0.771SS**  trans70.3152.5157-74.1174.1174.6-176.90118.7F299K297-F299 HydrophobicContact CD-CD2 4.44Å; K297-F299 HydrophobicContact CD-CE2 3.79Å; K297-F299 HydrophobicContact CD-CZ 3.86Å
298P47.8Very low38Very low131 Ų131143.8 Ų143.885%0.85177%0.772SS**  -130.5-16286.635.2-20.3000115
299F42.3Very low38Very low165 Ų165138.7 Ų138.772%0.72476%0.762SS**  trans-131.1163.4-159.2-70.4-101.7000115.6K297K297-F299 HydrophobicContact CD-CD2 4.44Å; K297-F299 HydrophobicContact CD-CE2 3.79Å; K297-F299 HydrophobicContact CD-CZ 3.86Å
300S29.1Very low38Very low111 Ų111136.1 Ų136.178%0.77676%0.763SS**  trans-168.4154.3134-81.50000110.8
301R32.1Very low39Very low230 Ų230132.7 Ų132.787%0.86876%0.756SS**  cis-162.3131.2-31.5177-179.8-72.9-114.15.6107.1
302L39.4Very low39Very low153 Ų153133.8 Ų133.880%0.80176%0.761SS**  trans-88.4160.5172.6-60.6174.6000110.9
303P51.7Low38.4Very low112 Ų112136.4 Ų136.473%0.72776%0.758SS**  -144.2173.79031.1-11.9000113.5
304N39Very low38.2Very low135 Ų135139.7 Ų139.772%0.72276%0.762SS**  cis-164165.4-22.6-91.7-12.6000105
305H37.2Very low38.5Very low163 Ų163137.3 Ų137.376%0.75576%0.757SS**  cis-166.9141.644.640.8-70.8000113
306I35.8Very low38.3Very low142 Ų142137.1 Ų137.173%0.72876%0.757SS**  trans56.1104.6136.3-60168.1000117.4
307T38.6Very low37.5Very low111 Ų111140.5 Ų140.568%0.68177%0.766SS**  cis81.1153.35078.60000112.9
308D31.7Very low37.7Very low155 Ų155138.4 Ų138.483%0.82977%0.771SS**  cis-150.5179.924.4-97-61.4000111.6
309G32Very low37.1Very low52 Ų52137.1 Ų137.154%0.53677%0.771SS.*  cis171.4-1.7-0.100000119.2
310T32.3Very low36.7Very low141 Ų141138.9 Ų138.987%0.86578%0.779SS**  trans65.7-170.117975.40000114.4
311P54.6Low37Very low106 Ų106142.1 Ų142.169%0.68879%0.786SS**  cis-139.3-179.8-8.540.3-20000117.8
312V34.4Very low37.5Very low136 Ų136136.2 Ų136.282%0.82478%0.78SS**  trans65.1125.9160.7-161.50000120.5
313K29.7Very low38Very low189 Ų189134.6 Ų134.682%0.82278%0.779SS**  152.2126.1116.4-161.8165.3-172.9176.40112.9
314L37Very low37.9Very low160 Ų160135.3 Ų135.384%0.83878%0.783SS**  trans-92.8141.8164.5-77.6172.4000110.1
315P41Very low38.3Very low117 Ų117136.7 Ų136.776%0.7679%0.79SS**  -114.3159.5127-9.929.1000112.3
316C33.8Very low39.1Very low110 Ų110134 Ų13474%0.74379%0.787SS**  trans-88.3150.1170.2-51.80000110.5
317M33.3Very low39.9Very low177 Ų177133.5 Ų133.587%0.87279%0.793SS**  trans-171.9160.2133.5-105.4-56.2109.400113.4
318S39.9Very low39.8Very low111 Ų111137.6 Ų137.678%0.77680%0.801SS**  trans-75.7137.4-173.8-47.10000114
319A35Very low40.2Very low104 Ų104139.9 Ų139.986%0.8680%0.804SS**  trans-152.9151.516000000112.5
320K33Very low40.6Very low202 Ų202145.3 Ų145.388%0.87882%0.819SS**  trans-82.4144.4-179.1-64.6155.2178.5170.80110.4
321L35.8Very low40.8Very low179 Ų179146.6 Ų146.694%0.93782%0.82SS**  trans-81.1118.7171.2-65.8176.4000110.5
322S41.3Very low40Very low105 Ų105149.4 Ų149.473%0.73483%0.828SS**  trans-144.8129.8164.7-66.40000108.8
323P50.3Low39.8Very low120 Ų120148.1 Ų148.178%0.77983%0.825SS**PPolyproline II helixtrans-66.6148.5173.1-18.532.2000111.5
324P49.6Very low40.1Very low127 Ų127145.8 Ų145.883%0.82583%0.826SS**PPolyproline II helixtrans-71.5145.417630.1-34.6000111.9
325L48.8Very low40.8Very low163 Ų163144 Ų14485%0.85382%0.824SS**PPolyproline II helixtrans-89.3147.7171.8-69.9170.2000110.9
326P53.5Low40.6Very low106 Ų106143.4 Ų143.469%0.68883%0.829SS**PPolyproline II helixtrans-71.7151.1172.630.9-35000111.9
327P52.1Low40.5Very low132 Ų132141.8 Ų141.886%0.85783%0.831SS**PPolyproline II helixtrans-72.3132.2-177.628.8-34.5000112.6
328K37.4Very low40.3Very low198 Ų198139.1 Ų139.186%0.86183%0.829SS**PPolyproline II helixtrans-88.2117.7172.8-61.8178.5179.8-179.50110.9
329K40Very low40.2Very low202 Ų202142 Ų14288%0.87883%0.834SS**  trans-153.288.7153.7-78-155.4178.9-173.50112.2
330L38.7Very low40.3Very low166 Ų166144 Ų14487%0.86983%0.826SS**  trans-142.2121.5141.8-77.5-175.8000107
331L38.3Very low41.1Very low169 Ų169139.4 Ų139.489%0.88582%0.817SS**  trans-110.8131.2165-72.4169.9000106
332I36.5Very low41.2Very low165 Ų165135.3 Ų135.385%0.84680%0.803SS**  trans-113.1119.8170.8-63176.9000105.9
333S31.7Very low41.9Very low108 Ų108135.5 Ų135.576%0.75580%0.802SS**  trans-119.7139.5179.1-620000109.7
334V35.8Very low41.2Very low140 Ų140137.4 Ų137.485%0.84881%0.805SS**  trans-78.5145.7-179.1177.20000110
335P52Low40.3Very low122 Ų122135.1 Ų135.179%0.79280%0.796SS**  trans-90.4145.6-168.334.5-36.1000114.9
336A36.2Very low39.6Very low105 Ų105136.2 Ų136.287%0.86879%0.794SS**  trans-163.4146.3158.200000111.6
337G31.7Very low38.8Very low76 Ų76138.3 Ų138.378%0.78480%0.795SS**  trans96.478.9147.300000121.2
338C29.6Very low37.7Very low122 Ų122140.2 Ų140.282%0.82479%0.79SS**  trans63.4150.5132.4-142.10000123.5
339L36.3Very low37.6Very low170 Ų170136 Ų13689%0.8978%0.784SS**  trans85.5138.3166-53.3-179.1000120.3
340E36.8Very low37.9Very low146 Ų146132.7 Ų132.768%0.68278%0.783SS**  trans-110173.2178.1-135.6-117.5131.200107.9S342E340-S342 WeakPolarHBondContact OE1-CB 3.44Å; E340-S342 PolarHBondContact OE1-N 3.32Å; E340-S342 PolarHBondContact OE1-OG 3.38Å
341P50.6Low37.4Very low107 Ų107128 Ų12870%0.69578%0.775SS**  cis-126.5157.415.410.416.9000119.7
342S37.7Very low38.5Very low92 Ų92126 Ų12664%0.64377%0.772SS**  20162.5126.6-70.20000123.5E340E340-S342 WeakPolarHBondContact OE1-CB 3.44Å; E340-S342 PolarHBondContact OE1-N 3.32Å; E340-S342 PolarHBondContact OE1-OG 3.38Å
343P57Low39.4Very low109 Ų109122.7 Ų122.771%0.70876%0.761SS**  cis-143.9-152-24.738-15.2000114.2
344L34.5Very low39.7Very low161 Ų161121.6 Ų121.684%0.84375%0.754SS**  trans87.5140.7170.1-54.3-178.3000117
345A31.8Very low39.8Very low78 Ų78122.6 Ų122.665%0.64575%0.749SS**  cis-160.2161.6-5.400000113.5
346F33.3Very low39.2Very low186 Ų186123.3 Ų123.382%0.81675%0.751SS**  trans9153.5151.1-60.2-69.8000121.3
347Q36.4Very low39.2Very low151 Ų151121.7 Ų121.771%0.70674%0.744SS**  cis-167.3177.116.5-126.3173.4121.400107.2
348K29Very low39.6Very low171 Ų171127.3 Ų127.374%0.74375%0.753SS**  cis-164.3168.80.1-174.9130.2172.1178.80109.3
349C36.8Very low39.8Very low111 Ų111125.3 Ų125.375%0.7575%0.753SS**  trans-116.3168.6165.2-540000111.5
350P45.6Very low39.6Very low132 Ų132120 Ų12086%0.85774%0.739SS**  -149.7166.5103.738.7-22.2000116.9
351G27.1Very low39.5Very low67 Ų67122.4 Ų122.469%0.69175%0.75SS**  trans-112.9-132.9161.800000110
352P61.6Low38.7Very low126 Ų126122.6 Ų122.682%0.81875%0.754SS**  cis-118.3-110.1-13.220.56.9000109.3
353P56.4Low38.5Very low97 Ų97125.7 Ų125.763%0.6376%0.762SS**  cis-138.4163.8-35.742.8-25.6000118
354S37.7Very low37.6Very low85 Ų85129.2 Ų129.259%0.59477%0.769SS**  trans62.1157.5138.761.10000122.6
355H38.6Very low37.5Very low161 Ų161132.8 Ų132.875%0.74577%0.773SS**  cis-146.2142.825.3-73.4-93.7000116.9
356T38.6Very low37.7Very low136 Ų136132.9 Ų132.983%0.83478%0.782SS**  trans22.6150.5142.257.80000123.2
357G36.1Very low37.9Very low71 Ų71127.6 Ų127.673%0.73278%0.78SS**  cis176.3-173.7800000109
358M40.5Very low38.2Very low194 Ų194128.3 Ų128.396%0.95679%0.788SS**  cis-149.3-176.34.6-81.114759.400106.9
359G32.8Very low38.8Very low80 Ų80126 Ų12683%0.82579%0.79SS**  cis124.4129.67.400000110.6
360G32Very low39.2Very low58 Ų58127 Ų12760%0.59879%0.793SS**  cis-173.9-141.77.300000112.9
361H35.6Very low38.7Very low197 Ų197126.1 Ų126.191%0.91279%0.789SS**  trans61.9130.3178.754-117.9000119.7
362S33.4Very low39.6Very low112 Ų112131.1 Ų131.178%0.78380%0.799SS**  cis-161.6172.7-8.6-161.70000113.3
363L34.3Very low38.8Very low157 Ų157132.5 Ų132.582%0.82280%0.795SS**  trans75.459.5165.8-60.8-177.1000122.1
364Q37.2Very low38.7Very low182 Ų182132.5 Ų132.585%0.8580%0.795SS**  41.7104.1114.2-169.7164.784.200121.8
365Y33.3Very low39.8Very low236 Ų236132.3 Ų132.393%0.92579%0.791SS**  -142.9159.1122.8-124.4-92.3000109
366G35.8Very low41.4Very low81 Ų81127.2 Ų127.284%0.83577%0.773SS**  trans-75.8126.7-157.700000117
367G36.2Very low43.1Very low74 Ų74130.4 Ų130.476%0.76377%0.77SS**  trans-141.9141.9165.700000111.4
368L42.6Very low45.1Very low167 Ų167132.6 Ų132.687%0.87476%0.764SS**  trans-86.8138.8178.1-72.5170.2000111V370L368-V370 PolarHBondContact O-N 3.1Å; L368-V370 VanDerWaalsContact O-N 3.13Å
369P42.8Very low46.9Very low122 Ų122127.6 Ų127.679%0.79274%0.74SS**  trans-77.8101.3-177.430.8-34.1000111.6S371P369-S371 PolarHBondContact O-N 2.91Å
370V44.1Very low49.2Very low133 Ų133129.2 Ų129.281%0.80673%0.726SS**  trans-76.1116.9162.7178.10000108.2L368 L372L368-V370 PolarHBondContact O-N 3.1Å; L368-V370 VanDerWaalsContact O-N 3.13Å; V370-L372 PolarHBondContact O-N 3.06Å
371S36.2Very low51.7Low112 Ų112132.9 Ų132.978%0.78373%0.728SS**  trans-60.6118.7172.9-66.50000110.5P369 H373P369-S371 PolarHBondContact O-N 2.91Å; S371-H373 VanDerWaalsContact C-N 3.26Å; S371-H373 PolarHBondContact O-N 2.98Å
372L45.8Very low53.9Low173 Ų173128.7 Ų128.791%0.90671%0.712SS**  trans-66.383.8170.9-80.4158.5000110.2V370V370-L372 PolarHBondContact O-N 3.06Å
373H45Very low56.3Low155 Ų155128.1 Ų128.172%0.71870%0.7SS**PPolyproline II helixtrans-61.8126.2158.5-172.8-69.3000107.2S371S371-H373 VanDerWaalsContact C-N 3.26Å; S371-H373 PolarHBondContact O-N 2.98Å
374P54.8Low58.9Low97 Ų97127.2 Ų127.263%0.6369%0.689SS**PPolyproline II helixtrans-53.9135.1175.8-24.933.9000109.5S376P374-S376 PolarHBondContact O-N 2.91Å
375P60.2Low61.3Low80 Ų80122.4 Ų122.452%0.51967%0.672SS.*PPolyproline II helixtrans-54.7133.7175.924.1-33000108.4R377 I379P375-R377 PolarHBondContact O-N 3.06Å; P375-I379 HydrophobicContact CB-CG2 4.48Å
376S72.9Confident63.8Low54 Ų54116 Ų11638%0.37865%0.653SS.*PPolyproline II helixtrans-52.9139.1173.2172.50000108.3P374 I378 I379 E380P374-S376 PolarHBondContact O-N 2.91Å; S376-I378 CarbonylContact O-C 3.6Å; S376-I378 PolarHBondContact O-N 3.02Å; S376-I378 PolarHBondContact OG-N 2.99Å; S376-I379 WeakPolarHBondContact O-CA 3.35Å; S376-I379 WeakPolarHBondContact O-CB 3.17Å; S376-I379 PolarHBondContact O-N 2.95Å; S376-E380 PolarHBondContact O-N 3.01Å
377R74.3Confident66.3Low204 Ų204114.9 Ų114.977%0.7764%0.636SS**Hα-helixtrans-51.3-28.3177-71.9-178176.3-124.30112.4P375 E380 E381P375-R377 PolarHBondContact O-N 3.06Å; R377-E380 PolarHBondContact O-N 3.27Å; R377-E381 WeakPolarHBondContact O-CB 3.4Å; R377-E381 WeakPolarHBondContact O-CG 3.36Å; R377-E381 PolarHBondContact O-N 3.04Å
378I76.5Confident68.6Low117 Ų117116 Ų11660%0.662%0.624SS**Hα-helixtrans-65.7-42.1173.9-54.7173.6000111.5S376 L382S376-I378 CarbonylContact O-C 3.6Å; S376-I378 PolarHBondContact O-N 3.02Å; S376-I378 PolarHBondContact OG-N 2.99Å; I378-L382 HydrophobicContact CG2-CD1 4.05Å; I378-L382 VanDerWaalsContact O-CB 3.25Å; I378-L382 WeakPolarHBondContact O-CB 3.45Å; I378-L382 WeakPolarHBondContact O-CD1 3.46Å; I378-L382 WeakPolarHBondContact O-CG 3.22Å; I378-L382 PolarHBondContact O-N 3.24Å
379I79.9Confident70.5Confident88 Ų88111.9 Ų111.945%0.45161%0.606SS.*Hα-helixtrans-70-39.4176-60170.4000110.1P375 S376 L382 N383P375-I379 HydrophobicContact CB-CG2 4.48Å; S376-I379 WeakPolarHBondContact O-CA 3.35Å; S376-I379 WeakPolarHBondContact O-CB 3.17Å; S376-I379 PolarHBondContact O-N 2.95Å; I379-L382 PolarHBondContact O-N 3.14Å; I379-N383 WeakPolarHBondContact O-CB 3.34Å; I379-N383 VanDerWaalsContact O-CG 3.23Å; I379-N383 PolarHBondContact O-N 3.35Å
380E81Confident72.3Confident115 Ų115111.1 Ų111.154%0.53759%0.593SS.*Hα-helixtrans-65-45.5176.3-170175.7-159.200111.8S376 R377 N383 K384S376-E380 PolarHBondContact O-N 3.01Å; R377-E380 PolarHBondContact O-N 3.27Å; E380-N383 PolarHBondContact O-N 3.07Å; E380-K384 VanDerWaalsContact O-CB 3.26Å; E380-K384 WeakPolarHBondContact O-CB 3.01Å; E380-K384 PolarHBondContact O-N 3.48Å
381E83.8Confident74.1Confident135 Ų135110.4 Ų110.463%0.63158%0.581SS**Hα-helixtrans-68.1-34.3173.5-72.8-155.7137.100112.8R377 K384 T385R377-E381 WeakPolarHBondContact O-CB 3.4Å; R377-E381 WeakPolarHBondContact O-CG 3.36Å; R377-E381 PolarHBondContact O-N 3.04Å; E381-K384 PolarHBondContact O-N 2.92Å; E381-T385 VanDerWaalsContact O-CB 3.22Å; E381-T385 WeakPolarHBondContact O-CB 3.47Å; E381-T385 PolarHBondContact O-N 2.86Å; E381-T385 PolarHBondContact O-OG1 3.45Å
382L82.4Confident76Confident109 Ų109114.4 Ų114.457%0.57158%0.579SS**Hα-helixtrans-66-43.8173.1-77.8169.1000111.6I378 I379 T385 L386I378-L382 HydrophobicContact CG2-CD1 4.05Å; I378-L382 VanDerWaalsContact O-CB 3.25Å; I378-L382 WeakPolarHBondContact O-CB 3.45Å; I378-L382 WeakPolarHBondContact O-CD1 3.46Å; I378-L382 WeakPolarHBondContact O-CG 3.22Å; I378-L382 PolarHBondContact O-N 3.24Å; I379-L382 PolarHBondContact O-N 3.14Å; L382-T385 PolarHBondContact O-N 3.38Å; L382-L386 VanDerWaalsContact O-CB 3.3Å; L382-L386 WeakPolarHBondContact O-CB 3.21Å; L382-L386 PolarHBondContact O-N 3.47Å
383N83.8Confident77.2Confident99 Ų99114 Ų11453%0.52957%0.57SS.*Hα-helixtrans-65.6-40.1175.7-73-7.2000111.4I379 E380 L386 A387I379-N383 WeakPolarHBondContact O-CB 3.34Å; I379-N383 VanDerWaalsContact O-CG 3.23Å; I379-N383 PolarHBondContact O-N 3.35Å; E380-N383 PolarHBondContact O-N 3.07Å; N383-L386 PolarHBondContact O-N 3.15Å; N383-A387 WeakPolarHBondContact O-CB 3.48Å; N383-A387 PolarHBondContact O-N 3.33Å
384K88.5Confident78.3Confident139 Ų139111.3 Ų111.360%0.60456%0.558SS**Hα-helixtrans-64.7-40.3173.7-173.8177.2-179.4179.60112E380 E381 L388E380-K384 VanDerWaalsContact O-CB 3.26Å; E380-K384 WeakPolarHBondContact O-CB 3.01Å; E380-K384 PolarHBondContact O-N 3.48Å; E381-K384 PolarHBondContact O-N 2.92Å; K384-L388 HydrophobicContact CG-CD1 4.2Å; K384-L388 WeakPolarHBondContact O-CB 3.21Å; K384-L388 VanDerWaalsContact O-CG 3.28Å; K384-L388 WeakPolarHBondContact O-CG 3.38Å; K384-L388 PolarHBondContact O-N 2.81Å
385T88Confident78.7Confident80 Ų80110.1 Ų110.149%0.49155%0.552SS.*Hα-helixtrans-67.3-40.5175.8-58.30000111.2E381 L382 T389E381-T385 VanDerWaalsContact O-CB 3.22Å; E381-T385 WeakPolarHBondContact O-CB 3.47Å; E381-T385 PolarHBondContact O-N 2.86Å; E381-T385 PolarHBondContact O-OG1 3.45Å; L382-T385 PolarHBondContact O-N 3.38Å; T385-T389 VanDerWaalsContact O-CB 3.29Å; T385-T389 WeakPolarHBondContact O-CB 3.5Å; T385-T389 PolarHBondContact O-N 2.83Å; T385-T389 PolarHBondContact O-OG1 2.76Å
386L86Confident78.4Confident101 Ų101110.4 Ų110.453%0.52956%0.556SS.*Hα-helixtrans-63.5-47.8174.6179.561000111.2L382 N383 L388 T389 M390L382-L386 VanDerWaalsContact O-CB 3.3Å; L382-L386 WeakPolarHBondContact O-CB 3.21Å; L382-L386 PolarHBondContact O-N 3.47Å; N383-L386 PolarHBondContact O-N 3.15Å; L386-L388 PolarHBondContact O-N 2.95Å; L386-T389 CarbonylContact O-C 3.59Å; L386-T389 WeakPolarHBondContact O-CB 3.24Å; L386-T389 PolarHBondContact O-N 2.72Å; L386-T389 VanDerWaalsContact O-N 3.08Å; L386-M390 HydrophobicContact CD1-CG 4.43Å; L386-M390 PolarHBondContact O-N 3.02Å
387A87.9Confident77.2Confident58 Ų58114.4 Ų114.448%0.47957%0.57SS.*Hα-helixtrans-59.8-46.7176.400000111.9N383 T389 M390 Q391N383-A387 WeakPolarHBondContact O-CB 3.48Å; N383-A387 PolarHBondContact O-N 3.33Å; A387-T389 VanDerWaalsContact C-N 3.25Å; A387-T389 PolarHBondContact O-N 2.86Å; A387-M390 PolarHBondContact O-N 2.75Å; A387-Q391 VanDerWaalsContact O-CB 3.28Å; A387-Q391 WeakPolarHBondContact O-CB 3.48Å; A387-Q391 PolarHBondContact O-N 3.2Å
388L83.5Confident76Confident98 Ų98111.2 Ų111.251%0.51357%0.566SS.*Hα-helixtrans-63.8-29.7174.1-73.6168.3000112.8K384 L386 R392K384-L388 HydrophobicContact CG-CD1 4.2Å; K384-L388 WeakPolarHBondContact O-CB 3.21Å; K384-L388 VanDerWaalsContact O-CG 3.28Å; K384-L388 WeakPolarHBondContact O-CG 3.38Å; K384-L388 PolarHBondContact O-N 2.81Å; L386-L388 PolarHBondContact O-N 2.95Å; L388-R392 WeakPolarHBondContact O-CB 3.47Å; L388-R392 PolarHBondContact O-N 3.32Å; L388-R392 VanDerWaalsContact O-N 3.09Å
389T83.4Confident74.7Confident81 Ų81113.4 Ų113.450%0.49757%0.573SS.*Hα-helixtrans-75.8-41.4176.8-58.60000111.3T385 L386 A387 R392 F393T385-T389 VanDerWaalsContact O-CB 3.29Å; T385-T389 WeakPolarHBondContact O-CB 3.5Å; T385-T389 PolarHBondContact O-N 2.83Å; T385-T389 PolarHBondContact O-OG1 2.76Å; L386-T389 CarbonylContact O-C 3.59Å; L386-T389 WeakPolarHBondContact O-CB 3.24Å; L386-T389 PolarHBondContact O-N 2.72Å; L386-T389 VanDerWaalsContact O-N 3.08Å; A387-T389 VanDerWaalsContact C-N 3.25Å; A387-T389 PolarHBondContact O-N 2.86Å; T389-R392 PolarHBondContact O-N 2.88Å; T389-F393 WeakPolarHBondContact O-CB 3.49Å; T389-F393 PolarHBondContact O-N 3.03Å
390M81Confident72.7Confident105 Ų105115 Ų11552%0.51759%0.588SS.*Hα-helixtrans-66.1-47.6173.6-72.3-160.564.700111.6L386 A387 R392 F393 E394L386-M390 HydrophobicContact CD1-CG 4.43Å; L386-M390 PolarHBondContact O-N 3.02Å; A387-M390 PolarHBondContact O-N 2.75Å; M390-R392 PolarHBondContact O-N 3.39Å; M390-F393 CarbonylContact O-C 3.57Å; M390-F393 WeakPolarHBondContact O-CA 3.5Å; M390-F393 WeakPolarHBondContact O-CB 3.45Å; M390-F393 PolarHBondContact O-N 3.37Å; M390-E394 WeakPolarHBondContact O-CG 3.28Å; M390-E394 PolarHBondContact O-N 2.99Å
391Q80.8Confident70.6Confident118 Ų118115.6 Ų115.655%0.55160%0.599SS**Hα-helixtrans-58.5-33.5175.3-170.217833.100112.2A387 S395A387-Q391 VanDerWaalsContact O-CB 3.28Å; A387-Q391 WeakPolarHBondContact O-CB 3.48Å; A387-Q391 PolarHBondContact O-N 3.2Å; Q391-S395 WeakPolarHBondContact O-CB 3.1Å; Q391-S395 PolarHBondContact O-N 2.92Å; Q391-S395 PolarHBondContact O-OG 2.78Å
392R77.3Confident68.6Low196 Ų196114.6 Ų114.674%0.7460%0.604SS**Hα-helixtrans-73.5-31173-166.3177.9-154.91619.1113.2L388 T389 M390 S395 S396L388-R392 WeakPolarHBondContact O-CB 3.47Å; L388-R392 PolarHBondContact O-N 3.32Å; L388-R392 VanDerWaalsContact O-N 3.09Å; T389-R392 PolarHBondContact O-N 2.88Å; M390-R392 PolarHBondContact O-N 3.39Å; R392-S395 WeakPolarHBondContact CA-OG 3.48Å; R392-S395 PolarHBondContact O-OG 3.03Å; R392-S396 WeakPolarHBondContact O-CB 3.31Å; R392-S396 PolarHBondContact O-N 2.89Å
393F70.3Confident66.3Low165 Ų165114.2 Ų114.272%0.72462%0.616SS**Hα-helixtrans-72.1-45.7174.8-152.7-92.9000110.6T389 M390 S396 M397T389-F393 WeakPolarHBondContact O-CB 3.49Å; T389-F393 PolarHBondContact O-N 3.03Å; M390-F393 CarbonylContact O-C 3.57Å; M390-F393 WeakPolarHBondContact O-CA 3.5Å; M390-F393 WeakPolarHBondContact O-CB 3.45Å; M390-F393 PolarHBondContact O-N 3.37Å; F393-S396 CarbonylContact O-C 3.55Å; F393-S396 PolarHBondContact O-N 3.48Å; F393-M397 PolarHBondContact O-N 2.87Å
394E68.3Low64.1Low98 Ų98117.8 Ų117.846%0.45863%0.632SS.*Hα-helixtrans-61.3-48.2175.1-69.5159.1-171.600111.6M390 S396 M397M390-E394 WeakPolarHBondContact O-CG 3.28Å; M390-E394 PolarHBondContact O-N 2.99Å; E394-S396 VanDerWaalsContact C-N 3.28Å; E394-S396 PolarHBondContact O-N 3.26Å; E394-M397 WeakPolarHBondContact O-CB 3.13Å; E394-M397 PolarHBondContact O-N 3.47Å; E394-M397 VanDerWaalsContact O-N 3.12Å
395S63Low62Low73 Ų73119.1 Ų119.151%0.5164%0.642SS.*Hα-helixtrans-68.7-24.2175.3520000113.8Q391 R392Q391-S395 WeakPolarHBondContact O-CB 3.1Å; Q391-S395 PolarHBondContact O-N 2.92Å; Q391-S395 PolarHBondContact O-OG 2.78Å; R392-S395 WeakPolarHBondContact CA-OG 3.48Å; R392-S395 PolarHBondContact O-OG 3.03Å
396S53.2Low59.7Low85 Ų85122.9 Ų122.959%0.59466%0.658SS**Hα-helixtrans-79.5-17.3171-170.70000113.6R392 F393 E394R392-S396 WeakPolarHBondContact O-CB 3.31Å; R392-S396 PolarHBondContact O-N 2.89Å; F393-S396 CarbonylContact O-C 3.55Å; F393-S396 PolarHBondContact O-N 3.48Å; E394-S396 VanDerWaalsContact C-N 3.28Å; E394-S396 PolarHBondContact O-N 3.26Å
397M48.1Very low57.5Low138 Ų138126 Ų12668%0.6867%0.669SS**Hα-helixtrans-74.5-27.6178.4-177.2173170.100112.1F393 E394 H399F393-M397 PolarHBondContact O-N 2.87Å; E394-M397 WeakPolarHBondContact O-CB 3.13Å; E394-M397 PolarHBondContact O-N 3.47Å; E394-M397 VanDerWaalsContact O-N 3.12Å; M397-H399 PolarHBondContact O-N 3.32Å
398M48.8Very low55.2Low137 Ų137128.8 Ų128.868%0.67568%0.684SS**THydrogen-bonded Turntrans-80.64.2-173.3-48.5-52.2170.700114.6
399H49.4Very low53Low164 Ų164131.5 Ų131.576%0.75970%0.7SS**THydrogen-bonded Turntrans-131.843.8-177.6-7381.7000112.2M397M397-H399 PolarHBondContact O-N 3.32Å
400T38.6Very low51.3Low122 Ų122135.3 Ų135.375%0.74872%0.717SS**SBendtrans-152.4146.5162.4-76.50000109.7
401V37Very low49.4Very low127 Ų127137.1 Ų137.177%0.7773%0.729SS**  trans-49.7142.7-174.2-176.80000112.7A403V401-A403 PolarHBondContact O-N 2.99Å
402P41.3Very low47.8Very low113 Ų113139 Ų13973%0.73474%0.735SS**  trans-59.1125.6-179.1-24.634.6000113.6M404P402-M404 PolarHBondContact O-N 3.04Å
403A34.3Very low46.5Very low102 Ų102136.5 Ų136.584%0.84373%0.732SS**  trans-85.988.9164.300000109.1V401V401-A403 PolarHBondContact O-N 2.99Å
404M38.5Very low44.8Very low174 Ų174136.5 Ų136.586%0.85774%0.739SS**  trans-63.7139.8166.1-80.8-176.9165.600109.9P402P402-M404 PolarHBondContact O-N 3.04Å
405M43.1Very low43.3Very low166 Ų166139.3 Ų139.382%0.81876%0.756SS**  trans-74.2127.8170.2-59.3-165.7-56.400108.3E407M405-E407 VanDerWaalsContact C-N 3.26Å; M405-E407 PolarHBondContact O-N 3.45Å
406I39.9Very low42.4Very low159 Ų159141.3 Ų141.382%0.81577%0.768SS**  trans-80.785169-59173.8000106.8
407E39.2Very low41.5Very low166 Ų166144.6 Ų144.678%0.77678%0.779SS**  trans-75.9136.8158.1-159.3147.3-138.600107M405 D409M405-E407 VanDerWaalsContact C-N 3.26Å; M405-E407 PolarHBondContact O-N 3.45Å; E407-D409 PolarHBondContact O-N 3.42Å
408C39.6Very low40.9Very low117 Ų117146.6 Ų146.679%0.79179%0.787SS**  trans-96.299-169-61.90000111.1
409D38.9Very low40.2Very low156 Ų156144.2 Ų144.283%0.83479%0.789SS**  trans-115.5128.1161.6-82.9-50.9000109.7E407E407-D409 PolarHBondContact O-N 3.42Å
410D46.7Very low39.4Very low161 Ų161144.2 Ų144.286%0.86179%0.794SS**  trans-78120.3165-80.9-72.8000108.8
411D41.8Very low39.1Very low143 Ų143147.6 Ų147.677%0.76579%0.794SS**  -173.3128.7128.6-108.4-35.9000113.9
412K46.5Very low39.6Very low158 Ų158148.5 Ų148.569%0.68779%0.79SS**  trans52.5131.3145.4-74.3168.4158.6-88.40123.6
413E49.5Very low39.4Very low143 Ų143151.2 Ų151.267%0.66879%0.793SS**  trans67.394.7137-67.8162.8-13800119
414N34.5Very low39.7Very low165 Ų165154.1 Ų154.188%0.88279%0.794SS**  -157.1143.7122.3-112.8-89.8000110.6
415L38.5Very low39.9Very low156 Ų156151.7 Ų151.782%0.81779%0.791SS**PPolyproline II helixtrans-97143.9171-8075000109.2
416P42.6Very low39.3Very low116 Ų116147.3 Ų147.375%0.75379%0.789SS**PPolyproline II helixtrans-71.1134.6159.131.6-31.2000109.2
417N34.8Very low39.2Very low154 Ų154148.1 Ų148.182%0.82479%0.791SS**PPolyproline II helixtrans-92.9141.7170.1-168.538.4000109.7
418E35Very low38.8Very low180 Ų180151.7 Ų151.784%0.84180%0.799SS**  trans-123.9102.4-178.6-76.7-85.5169.900109.6
419A34.1Very low38.6Very low87 Ų87155.8 Ų155.872%0.71980%0.798SS**  trans-164.3144.3161.500000105.7
420D32.6Very low38.4Very low163 Ų163152.8 Ų152.887%0.87278%0.782SS**  cis-138.6178.913.3-156-5.7000111.2
421Y33.7Very low37.9Very low193 Ų193153.3 Ų153.376%0.75778%0.779SS**  trans-129.9175.5-170.9-148.2-97.3000113
422E46.2Very low37.5Very low147 Ų147154 Ų15469%0.68778%0.778SS**  trans64.7156.6176-64.8-42.9160.700118.2
423E37.1Very low36.9Very low170 Ų170154.2 Ų154.279%0.79478%0.781SS**  cis-145.1172.3-20177163.2-154.900109.3
424L40.9Very low36.3Very low162 Ų162155 Ų15585%0.84879%0.785SS**  trans-103.4115.5-178-107.2165.1000114.1
425P42Very low36.3Very low123 Ų123153.9 Ų153.980%0.79977%0.774SS**  trans-77.5142.4163.9-16.732.3000112.6
426G31.6Very low36.2Very low75 Ų75153.7 Ų153.777%0.77377%0.769SS**  trans-104.1121.9-170.600000116.3
427M37.8Very low36Very low175 Ų175155 Ų15586%0.86277%0.765SS**  trans34.993.5141.9-176.5153.153.400118.9
428Y31Very low36.1Very low242 Ų242154.8 Ų154.895%0.94976%0.759SS**  trans-136.8-163.9135.7-104.2-76.7000110.2
429R35.9Very low36.4Very low202 Ų202153.7 Ų153.776%0.76275%0.754SS**  trans-147.5154.6-144.9-155.4-167.1175.7-116.1-1.3114.3
430D33.2Very low36.7Very low93 Ų93157.8 Ų157.850%0.49776%0.759SS.*  trans74.3145.7162.6-54-49.4000118.4
431E36.5Very low37.3Very low172 Ų172158.4 Ų158.480%0.80476%0.756SS**  trans62.4157160.3-71.1151.2-135.800118.2
432E34Very low37.9Very low157 Ų157158.6 Ų158.673%0.73476%0.764SS**  cis-171.1147.2-42.7-119172.2-172.900105.9
433E34.4Very low38Very low163 Ų163158.5 Ų158.576%0.76277%0.768SS**  trans61.4168.9169.8-64.5167.9176.100114.1
434E36.8Very low38.7Very low159 Ų159158.4 Ų158.474%0.74377%0.773SS**  cis-147.8-168.1-25.7-120.7171.5-174.300110.2
435E34.4Very low39.3Very low142 Ų142158.4 Ų158.466%0.66477%0.774SS**  trans-48.4161.4-177.9-66.7165.4156.700119.3
436E36Very low39.9Very low153 Ų153160.4 Ų160.472%0.71578%0.778SS**  trans64.4152.9144.1-69.3163.3-169.900118.1
437E37.3Very low41Very low142 Ų142163.2 Ų163.266%0.66478%0.775SS**  cis-158.8-169.8-8.4-122.5167.8-176.300109.3
438E38.7Very low41.7Very low150 Ų150163.1 Ų163.170%0.70178%0.778SS**  trans1.3152.8141-60.8175.9178.800119.5
439E39.9Very low42.9Very low158 Ų158159.3 Ų159.374%0.73877%0.769SS**  cis-165.4-159.7-1.8-118.4-177177.300109.3
440E41Very low43.6Very low173 Ų173158.1 Ų158.181%0.80877%0.772SS**  trans73.594.4158.5-48.9-158.4136.100118.8
441E45.6Very low44.4Very low175 Ų175162.6 Ų162.682%0.81879%0.79SS**  16135.1113.1-44.9-72.3-17700118.2
442E45Very low45.1Very low197 Ų197162.4 Ų162.492%0.92179%0.789SS**  -157.3134.8120.3-118.5173.8-171.100110.2
443D49.3Very low45.9Very low146 Ų146162.7 Ų162.778%0.78180%0.796SS**  trans-76.5147.5168.9-63.7-60.3000109.6
444D51.9Low46.8Very low168 Ų168162.1 Ų162.190%0.89880%0.798SS**  trans-148.396.9149.4-116.3-15.8000107.8
445D52.7Low47.7Very low161 Ų161163 Ų16386%0.86180%0.802SS**  trans-70.4123.9159.4-75.1-46.9000107.2
446D55.2Low48.6Very low166 Ų166163.9 Ų163.989%0.88881%0.811SS**  trans-139.1139.5152.2-139-9000110.5
447D54.4Low49.6Very low134 Ų134166.2 Ų166.272%0.71782%0.822SS**  trans-105.5120.2-162.3-150.86.4000108.5
448D52.3Low50.4Low172 Ų172168.3 Ų168.392%0.9283%0.832SS**  trans-14392.2168.5-115.2-15.9000108.1
449E55.8Low51.1Low162 Ų162169.5 Ų169.576%0.75784%0.838SS**  trans-74.6160169.4-65.4-171.2122.300111.2
450E50.8Low51.6Low178 Ų178170 Ų17083%0.83284%0.84SS**  trans69.3113.4168.9-53.8-174.5-179.300117.2
451E51.4Low52.1Low186 Ų186167.8 Ų167.887%0.86983%0.834SS**  -146.3147.997.6-84.6-66.9-169.800108.7
452E51.5Low52.5Low168 Ų168165.5 Ų165.579%0.78583%0.827SS**  trans-90.2116.7174.5-67.5177.8146.500110.2
453D48.8Very low53Low164 Ų164161.1 Ų161.188%0.87781%0.81SS**  trans-109.785.8163.2-105.6-27.2000109.1E455D453-E455 PolarHBondContact O-N 2.89Å
454D55Low53.4Low150 Ų150157.9 Ų157.980%0.80280%0.796SS**  trans-68.364.5175.4-90.3-22.3000112
455E55.4Low53.6Low178 Ų178155.4 Ų155.483%0.83278%0.782SS**  trans-149.763.8-178.7-131.1172.7-114.600115.2D453D453-E455 PolarHBondContact O-N 2.89Å
456D53.5Low53.9Low160 Ų160152.4 Ų152.486%0.85677%0.765SS**  trans-164.936.2157.2-107.4-17.9000116.3E458D456-E458 VanDerWaalsContact C-N 3.29Å; D456-E458 PolarHBondContact O-N 3.48Å
457E55.9Low54.3Low202 Ų202148.8 Ų148.894%0.94475%0.75SS**THydrogen-bonded Turntrans-7712.4178.8-93.6-161.1161.500116
458E53.7Low55.5Low187 Ų187144.7 Ų144.787%0.87473%0.731SS**THydrogen-bonded Turntrans-101.51.2-173.8-71.4-158.8172.900117.1D456D456-E458 VanDerWaalsContact C-N 3.29Å; D456-E458 PolarHBondContact O-N 3.48Å
459E53.1Low56.9Low175 Ų175141.7 Ų141.782%0.81872%0.719SS**SBendtrans-100.1-13.3177.5-67.8-122.7153.100116D461E459-D461 VanDerWaalsContact C-N 3.28Å; E459-D461 PolarHBondContact O-N 2.89Å
460E51.5Low58.3Low167 Ų167139.4 Ų139.478%0.7871%0.711SS**THydrogen-bonded Turntrans-68.4-22.5178.1-78.1-150.5148.200114.1D462 D463 T464E460-D462 VanDerWaalsContact C-N 3.27Å; E460-D462 PolarHBondContact O-N 3.03Å; E460-D463 PolarHBondContact O-N 3.26Å; E460-T464 PolarHBondContact O-N 3.42Å
461D51.5Low59.9Low127 Ų127132.2 Ų132.268%0.67968%0.683SS**Hα-helixtrans-68.7-25.1-171-131.913.3000112.5E459 T464 L465E459-D461 VanDerWaalsContact C-N 3.28Å; E459-D461 PolarHBondContact O-N 2.89Å; D461-T464 PolarHBondContact O-OG1 2.83Å; D461-T464 VanDerWaalsContact O-OG1 3.06Å; D461-L465 PolarHBondContact O-N 3.03Å; D461-L465 VanDerWaalsContact O-N 3.11Å
462D54.2Low61.6Low127 Ų127127.1 Ų127.168%0.67966%0.66SS**Hα-helixtrans-74.1-30176.7-109.20.4000112.5E460 L465 L466E460-D462 VanDerWaalsContact C-N 3.27Å; E460-D462 PolarHBondContact O-N 3.03Å; D462-L465 WeakPolarHBondContact O-CB 3.41Å; D462-L465 PolarHBondContact O-N 3.02Å; D462-L466 WeakPolarHBondContact O-CB 3.46Å; D462-L466 PolarHBondContact O-N 3.27Å
463D55.1Low63.4Low105 Ų105125.4 Ų125.456%0.56165%0.65SS**Hα-helixtrans-77.8-31.3175.7-116-24.6000111.9E460 L465 L466 T467E460-D463 PolarHBondContact O-N 3.26Å; D463-L465 VanDerWaalsContact C-N 3.29Å; D463-L465 PolarHBondContact O-N 3.24Å; D463-L466 PolarHBondContact O-N 3.27Å; D463-T467 WeakPolarHBondContact O-CB 3.13Å; D463-T467 VanDerWaalsContact O-CG2 3.31Å; D463-T467 WeakPolarHBondContact O-CG2 3.42Å; D463-T467 PolarHBondContact O-N 3.17Å; D463-T467 PolarHBondContact O-OG1 3.14Å
464T57.3Low65.3Low79 Ų79120.7 Ų120.749%0.48563%0.627SS.*Hα-helixtrans-67-33.4167.9820000111.6E460 D461 T467 S468E460-T464 PolarHBondContact O-N 3.42Å; D461-T464 PolarHBondContact O-OG1 2.83Å; D461-T464 VanDerWaalsContact O-OG1 3.06Å; T464-T467 WeakPolarHBondContact CA-OG1 3.21Å; T464-T467 PolarHBondContact O-OG1 2.57Å; T464-S468 WeakPolarHBondContact O-CB 3.47Å; T464-S468 PolarHBondContact O-N 2.71Å
465L57.2Low67Low116 Ų116118.3 Ų118.361%0.60761%0.614SS**Hα-helixtrans-66.2-40.3172.3-161.380.5000111.9D461 D462 D463 S468 A471D461-L465 PolarHBondContact O-N 3.03Å; D461-L465 VanDerWaalsContact O-N 3.11Å; D462-L465 WeakPolarHBondContact O-CB 3.41Å; D462-L465 PolarHBondContact O-N 3.02Å; D463-L465 VanDerWaalsContact C-N 3.29Å; D463-L465 PolarHBondContact O-N 3.24Å; L465-S468 WeakPolarHBondContact O-CB 3.35Å; L465-A471 WeakPolarHBondContact O-CB 3.4Å
466L58.8Low68.8Low97 Ų97117.2 Ų117.251%0.50860%0.602SS.*Hα-helixtrans-74.8-43.7-178.7-173.261.9000113D462 D463 S468 L475D462-L466 WeakPolarHBondContact O-CB 3.46Å; D462-L466 PolarHBondContact O-N 3.27Å; D463-L466 PolarHBondContact O-N 3.27Å; L466-S468 PolarHBondContact O-N 3.06Å; L466-L475 HydrophobicContact CD1-CD1 3.88Å
467T63.1Low70.8Confident91 Ų91116.3 Ų116.356%0.55859%0.59SS**Hα-helixtrans-70.7-19.117557.50000112.9D463 T464 T469D463-T467 WeakPolarHBondContact O-CB 3.13Å; D463-T467 VanDerWaalsContact O-CG2 3.31Å; D463-T467 WeakPolarHBondContact O-CG2 3.42Å; D463-T467 PolarHBondContact O-N 3.17Å; D463-T467 PolarHBondContact O-OG1 3.14Å; T464-T467 WeakPolarHBondContact CA-OG1 3.21Å; T464-T467 PolarHBondContact O-OG1 2.57Å; T467-T469 PolarHBondContact O-N 3.09Å
468S79.3Confident72.7Confident48 Ų48110.1 Ų110.134%0.33656%0.563SS.*SBendtrans-43.5125.1174.4-176.40000111.8T464 L465 L466 L470 A471 M472T464-S468 WeakPolarHBondContact O-CB 3.47Å; T464-S468 PolarHBondContact O-N 2.71Å; L465-S468 WeakPolarHBondContact O-CB 3.35Å; L466-S468 PolarHBondContact O-N 3.06Å; S468-L470 PolarHBondContact O-N 2.79Å; S468-A471 PolarHBondContact O-N 2.99Å; S468-M472 PolarHBondContact O-N 3.13Å
469T82.8Confident74.7Confident108 Ų108103.4 Ų103.466%0.66354%0.537SS*.Hα-helixtrans-57.2-25.3-17767.80000112.5T467 K473T467-T469 PolarHBondContact O-N 3.09Å; T469-K473 WeakPolarHBondContact O-CB 3.4Å; T469-K473 WeakPolarHBondContact O-CD 3.32Å; T469-K473 WeakPolarHBondContact O-CG 3.3Å; T469-K473 PolarHBondContact O-N 3.39Å
470L84.3Confident76.8Confident114 Ų11499.7 Ų99.760%0.59752%0.523SS*.Hα-helixtrans-72.7-47.5173-177.360.1000112.2S468 K473 V474S468-L470 PolarHBondContact O-N 2.79Å; L470-K473 CarbonylContact O-C 3.54Å; L470-K473 WeakPolarHBondContact O-CA 3.47Å; L470-K473 WeakPolarHBondContact O-CB 3.38Å; L470-K473 PolarHBondContact O-N 3.01Å; L470-V474 WeakPolarHBondContact O-CG2 3.44Å; L470-V474 PolarHBondContact O-N 3.47Å
471A84.8Confident78.9Confident27 Ų2794.2 Ų94.222%0.22351%0.506CS..Hα-helixtrans-59.8-48.1177.100000111.1L465 S468 K473 V474 L475L465-A471 WeakPolarHBondContact O-CB 3.4Å; S468-A471 PolarHBondContact O-N 2.99Å; A471-K473 PolarHBondContact O-N 2.97Å; A471-V474 WeakPolarHBondContact O-CA 3.27Å; A471-V474 WeakPolarHBondContact O-CB 3.42Å; A471-V474 PolarHBondContact O-N 3.21Å; A471-L475 WeakPolarHBondContact O-CG 3.46Å; A471-L475 PolarHBondContact O-N 2.91Å
472M86.3Confident81Confident80 Ų8093 Ų9339%0.39450%0.498SS..Hα-helixtrans-55.8-35.4172.1-67.2-159.5127.200113.2S468 R476S468-M472 PolarHBondContact O-N 3.13Å; M472-R476 VanDerWaalsContact O-CB 3.28Å; M472-R476 WeakPolarHBondContact O-CB 3.5Å; M472-R476 WeakPolarHBondContact O-CD 3.26Å; M472-R476 WeakPolarHBondContact O-CG 3.46Å; M472-R476 PolarHBondContact O-N 3.15Å; M472-R476 PolarHBondContact SD-NH2 2.93Å
473K89.3Confident83.1Confident132 Ų13293.7 Ų93.757%0.57450%0.495SS*.Hα-helixtrans-73.4-30.8177.2-79161.663.7-175.10112.3T469 L470 A471 K477T469-K473 WeakPolarHBondContact O-CB 3.4Å; T469-K473 WeakPolarHBondContact O-CD 3.32Å; T469-K473 WeakPolarHBondContact O-CG 3.3Å; T469-K473 PolarHBondContact O-N 3.39Å; L470-K473 CarbonylContact O-C 3.54Å; L470-K473 WeakPolarHBondContact O-CA 3.47Å; L470-K473 WeakPolarHBondContact O-CB 3.38Å; L470-K473 PolarHBondContact O-N 3.01Å; A471-K473 PolarHBondContact O-N 2.97Å; K473-K477 WeakPolarHBondContact O-CB 3.4Å; K473-K477 PolarHBondContact O-N 3.37Å; K473-K477 VanDerWaalsContact O-N 3.17Å
474V89.9Confident85Confident64 Ų6493.3 Ų93.339%0.38849%0.493SS..Hα-helixtrans-69.4-53.1170.5174.60000110.2L470 A471 R476 K477 D478L470-V474 WeakPolarHBondContact O-CG2 3.44Å; L470-V474 PolarHBondContact O-N 3.47Å; A471-V474 WeakPolarHBondContact O-CA 3.27Å; A471-V474 WeakPolarHBondContact O-CB 3.42Å; A471-V474 PolarHBondContact O-N 3.21Å; V474-R476 VanDerWaalsContact C-N 3.33Å; V474-R476 PolarHBondContact O-N 3.01Å; V474-K477 CarbonylContact O-C 3.59Å; V474-K477 WeakPolarHBondContact O-CA 3.27Å; V474-K477 WeakPolarHBondContact O-CB 3.49Å; V474-K477 PolarHBondContact O-N 2.86Å; V474-D478 WeakPolarHBondContact CG1-OD2 3.15Å; V474-D478 PolarHBondContact O-N 3.42Å
475L90.3Very high86.8Confident101 Ų10193.8 Ų93.853%0.52950%0.499SS..Hα-helixtrans-56-43.6178.1-66.8172.9000112.7L466 A471 D478 S479L466-L475 HydrophobicContact CD1-CD1 3.88Å; A471-L475 WeakPolarHBondContact O-CG 3.46Å; A471-L475 PolarHBondContact O-N 2.91Å; L475-D478 PolarHBondContact O-N 2.87Å; L475-S479 VanDerWaalsContact O-CB 3.23Å; L475-S479 WeakPolarHBondContact O-CB 3.36Å; L475-S479 PolarHBondContact O-N 3.01Å
476R93.1Very high88.7Confident154 Ų15493.9 Ų93.958%0.58150%0.5SS*.Hα-helixtrans-62.7-41.2174.1-74168-176134.33.9112.4M472 V474 L480M472-R476 VanDerWaalsContact O-CB 3.28Å; M472-R476 WeakPolarHBondContact O-CB 3.5Å; M472-R476 WeakPolarHBondContact O-CD 3.26Å; M472-R476 WeakPolarHBondContact O-CG 3.46Å; M472-R476 PolarHBondContact O-N 3.15Å; M472-R476 PolarHBondContact SD-NH2 2.93Å; V474-R476 VanDerWaalsContact C-N 3.33Å; V474-R476 PolarHBondContact O-N 3.01Å; R476-L480 VanDerWaalsContact O-CB 3.3Å; R476-L480 WeakPolarHBondContact O-CB 3.38Å; R476-L480 PolarHBondContact O-N 3.38Å
477K96.2Very high90.5Very high141 Ų14198 Ų9861%0.61351%0.509SS*.Hα-helixtrans-66.5-40.6178.3175-168169-155.70111.7K473 V474 L480 A481K473-K477 WeakPolarHBondContact O-CB 3.4Å; K473-K477 PolarHBondContact O-N 3.37Å; K473-K477 VanDerWaalsContact O-N 3.17Å; V474-K477 CarbonylContact O-C 3.59Å; V474-K477 WeakPolarHBondContact O-CA 3.27Å; V474-K477 WeakPolarHBondContact O-CB 3.49Å; V474-K477 PolarHBondContact O-N 2.86Å; K477-L480 WeakPolarHBondContact O-CB 3.41Å; K477-L480 PolarHBondContact O-N 3.11Å; K477-A481 PolarHBondContact O-N 3.32Å
478D95.1Very high92Very high72 Ų7296 Ų9639%0.38550%0.498SS..Hα-helixtrans-81.1-36.2-175.8-62.6-18.9000111.4V474 L475 L480 A481 I482V474-D478 WeakPolarHBondContact CG1-OD2 3.15Å; V474-D478 PolarHBondContact O-N 3.42Å; L475-D478 PolarHBondContact O-N 2.87Å; D478-L480 VanDerWaalsContact C-N 3.27Å; D478-L480 PolarHBondContact O-N 3.07Å; D478-A481 WeakPolarHBondContact O-CB 3.34Å; D478-A481 PolarHBondContact O-N 2.79Å; D478-A481 VanDerWaalsContact O-N 3.12Å; D478-I482 WeakPolarHBondContact O-CG1 3.36Å; D478-I482 PolarHBondContact O-N 2.87Å
479S95.9Very high92.9Very high46 Ų4696 Ų9632%0.32250%0.498SS..Hα-helixtrans-56.8-41.5165.3-170.60000111.7L475 K483L475-S479 VanDerWaalsContact O-CB 3.23Å; L475-S479 WeakPolarHBondContact O-CB 3.36Å; L475-S479 PolarHBondContact O-N 3.01Å; S479-K483 WeakPolarHBondContact O-CB 3.18Å; S479-K483 WeakPolarHBondContact O-CD 3.33Å; S479-K483 VanDerWaalsContact O-CG 3.26Å; S479-K483 WeakPolarHBondContact O-CG 3.21Å; S479-K483 PolarHBondContact O-N 3.42Å; S479-K483 VanDerWaalsContact O-N 3.08Å; S479-K483 PolarHBondContact OG-NZ 3.15Å
480L96.4Very high93.5Very high98 Ų9898 Ų9851%0.51350%0.497SS..Hα-helixtrans-67.2-40.2173.9178.361.4000112R476 K477 D478 I482 K483 L484R476-L480 VanDerWaalsContact O-CB 3.3Å; R476-L480 WeakPolarHBondContact O-CB 3.38Å; R476-L480 PolarHBondContact O-N 3.38Å; K477-L480 WeakPolarHBondContact O-CB 3.41Å; K477-L480 PolarHBondContact O-N 3.11Å; D478-L480 VanDerWaalsContact C-N 3.27Å; D478-L480 PolarHBondContact O-N 3.07Å; L480-I482 PolarHBondContact O-N 2.97Å; L480-K483 PolarHBondContact O-N 3.19Å; L480-L484 HydrophobicContact CD1-CD1 4.1Å; L480-L484 HydrophobicContact CD1-CG 4.09Å; L480-L484 HydrophobicContact CG-CD1 3.94Å; L480-L484 HydrophobicContact CG-CG 4.37Å; L480-L484 WeakPolarHBondContact O-CB 3.35Å; L480-L484 VanDerWaalsContact O-CG 3.29Å; L480-L484 WeakPolarHBondContact O-CG 3.33Å; L480-L484 PolarHBondContact O-N 3.13Å
481A96.6Very high94Very high51 Ų51100.7 Ų100.742%0.42150%0.499SS..Hα-helixtrans-60.4-44.4176.900000111.8K477 D478 L484 S485K477-A481 PolarHBondContact O-N 3.32Å; D478-A481 WeakPolarHBondContact O-CB 3.34Å; D478-A481 PolarHBondContact O-N 2.79Å; D478-A481 VanDerWaalsContact O-N 3.12Å; A481-L484 PolarHBondContact O-N 3.12Å; A481-S485 PolarHBondContact O-N 3.37Å; A481-S485 PolarHBondContact O-OG 2.78Å
482I95.8Very high94.5Very high103 Ų103103.4 Ų103.453%0.52851%0.507SS..Hα-helixtrans-62.8-42.6175-65.3163.9000111.1D478 L480 L484 S485 N486D478-I482 WeakPolarHBondContact O-CG1 3.36Å; D478-I482 PolarHBondContact O-N 2.87Å; L480-I482 PolarHBondContact O-N 2.97Å; I482-L484 VanDerWaalsContact C-N 3.27Å; I482-L484 PolarHBondContact O-N 2.87Å; I482-S485 PolarHBondContact O-N 3.49Å; I482-S485 PolarHBondContact O-OG 3.5Å; I482-N486 WeakPolarHBondContact O-CB 3.43Å; I482-N486 VanDerWaalsContact O-CG 3.3Å; I482-N486 PolarHBondContact O-N 2.91Å; I482-N486 PolarHBondContact O-ND2 3.22Å
483K96.8Very high95Very high140 Ų140101.4 Ų101.461%0.60950%0.498SS*.Hα-helixtrans-65-29.6175.6-72.9162.4-178.21570112.5S479 L480 R487S479-K483 WeakPolarHBondContact O-CB 3.18Å; S479-K483 WeakPolarHBondContact O-CD 3.33Å; S479-K483 VanDerWaalsContact O-CG 3.26Å; S479-K483 WeakPolarHBondContact O-CG 3.21Å; S479-K483 PolarHBondContact O-N 3.42Å; S479-K483 VanDerWaalsContact O-N 3.08Å; S479-K483 PolarHBondContact OG-NZ 3.15Å; L480-K483 PolarHBondContact O-N 3.19Å; K483-R487 PolarHBondContact O-N 3.45Å
484L96.3Very high95.3Very high98 Ų9897.1 Ų97.151%0.51348%0.48SS..Hα-helixtrans-81.9-37.4176.3-71.9172.9000113.1L480 A481 I482 N486 R487L480-L484 HydrophobicContact CD1-CD1 4.1Å; L480-L484 HydrophobicContact CD1-CG 4.09Å; L480-L484 HydrophobicContact CG-CD1 3.94Å; L480-L484 HydrophobicContact CG-CG 4.37Å; L480-L484 WeakPolarHBondContact O-CB 3.35Å; L480-L484 VanDerWaalsContact O-CG 3.29Å; L480-L484 WeakPolarHBondContact O-CG 3.33Å; L480-L484 PolarHBondContact O-N 3.13Å; A481-L484 PolarHBondContact O-N 3.12Å; I482-L484 VanDerWaalsContact C-N 3.27Å; I482-L484 PolarHBondContact O-N 2.87Å; L484-N486 VanDerWaalsContact C-N 3.32Å; L484-R487 VanDerWaalsContact O-CB 3.25Å; L484-R487 WeakPolarHBondContact O-CB 3.42Å; L484-R487 PolarHBondContact O-N 3.48Å
485S95.3Very high95.5Very high89 Ų89100.1 Ų100.162%0.62249%0.49SS*.Hα-helixtrans-66.7-36.1174.565.10000112A481 I482 R487A481-S485 PolarHBondContact O-N 3.37Å; A481-S485 PolarHBondContact O-OG 2.78Å; I482-S485 PolarHBondContact O-N 3.49Å; I482-S485 PolarHBondContact O-OG 3.5Å; S485-R487 VanDerWaalsContact C-N 3.28Å; S485-R487 PolarHBondContact O-N 2.75Å
486N96.3Very high95.8Very high118 Ų118101.8 Ų101.863%0.63149%0.493SS*.THydrogen-bonded Turntrans-88.69.5-179.6-61.7-12.3000113I482 L484 P488I482-N486 WeakPolarHBondContact O-CB 3.43Å; I482-N486 VanDerWaalsContact O-CG 3.3Å; I482-N486 PolarHBondContact O-N 2.91Å; I482-N486 PolarHBondContact O-ND2 3.22Å; L484-N486 VanDerWaalsContact C-N 3.32Å; N486-P488 VanDerWaalsContact O-CD 3.31Å; N486-P488 WeakPolarHBondContact O-CD 3.13Å
487R96.3Very high95.8Very high184 Ų184101.1 Ų101.169%0.69450%0.501SS*.PPolyproline II helixtrans-67.4118.6-178.5-176-179.6-177.9173.84.7110.9K483 L484 S485K483-R487 PolarHBondContact O-N 3.45Å; L484-R487 VanDerWaalsContact O-CB 3.25Å; L484-R487 WeakPolarHBondContact O-CB 3.42Å; L484-R487 PolarHBondContact O-N 3.48Å; S485-R487 VanDerWaalsContact C-N 3.28Å; S485-R487 PolarHBondContact O-N 2.75Å
488P96.3Very high95.8Very high48 Ų4899.6 Ų99.631%0.31250%0.498SS..PPolyproline II helixtrans-61146.8178.2-23.134.2000112.4N486 E492 L493N486-P488 VanDerWaalsContact O-CD 3.31Å; N486-P488 WeakPolarHBondContact O-CD 3.13Å; P488-E492 WeakPolarHBondContact CA-OE2 3.28Å; P488-E492 HydrophobicContact CB-CB 4.3Å; P488-E492 WeakPolarHBondContact CB-OE2 3.29Å; P488-L493 HydrophobicContact CB-CD2 3.95Å; P488-L493 HydrophobicContact CB-CG 4.15Å; P488-L493 HydrophobicContact CG-CD2 4.33Å
489S96.9Very high95.7Very high49 Ų4999.2 Ų99.234%0.34350%0.496SS..PPolyproline II helixtrans-67.7155.7179.181.90000111.7R491 E492 L493S489-R491 PolarHBondContact O-N 3.01Å; S489-R491 PolarHBondContact OG-N 3.4Å; S489-E492 WeakPolarHBondContact CB-OE1 3.45Å; S489-E492 PolarHBondContact N-OE1 3.46Å; S489-E492 PolarHBondContact N-OE2 3.43Å; S489-E492 PolarHBondContact O-N 2.98Å; S489-E492 PolarHBondContact OG-N 3.24Å; S489-E492 PolarHBondContact OG-OE1 3.05Å; S489-L493 WeakPolarHBondContact O-CG 3.2Å; S489-L493 PolarHBondContact O-N 3.17Å
490K95.2Very high95.5Very high148 Ų148101.8 Ų101.864%0.64351%0.512SS*.Hα-helixtrans-54.2-30.5175.2-176.7172.7179.7176.90112.2Q494 L499K490-Q494 WeakPolarHBondContact O-CB 3.3Å; K490-Q494 VanDerWaalsContact O-CG 3.28Å; K490-Q494 WeakPolarHBondContact O-CG 3.24Å; K490-Q494 PolarHBondContact O-N 2.83Å; K490-Q494 VanDerWaalsContact O-N 3.12Å; K490-L499 HydrophobicContact CG-CD1 3.97Å
491R95Very high95.2Very high172 Ų172103.6 Ų103.665%0.64952%0.519SS*.Hα-helixtrans-71.3-46.6175.6-178.2-179.9-661551.2111.8S489 L493 Q494 E495S489-R491 PolarHBondContact O-N 3.01Å; S489-R491 PolarHBondContact OG-N 3.4Å; R491-L493 VanDerWaalsContact C-N 3.27Å; R491-L493 PolarHBondContact O-N 3.02Å; R491-Q494 CarbonylContact O-C 3.4Å; R491-Q494 WeakPolarHBondContact O-CA 3.33Å; R491-Q494 WeakPolarHBondContact O-CB 3.42Å; R491-Q494 PolarHBondContact O-N 2.93Å; R491-E495 VanDerWaalsContact CD-OE1 3.25Å; R491-E495 WeakPolarHBondContact CD-OE1 3.19Å; R491-E495 HydrophobicContact CG-CG 4.23Å; R491-E495 WeakPolarHBondContact CG-OE1 3.43Å; R491-E495 WeakPolarHBondContact O-CG 3.39Å; R491-E495 PolarHBondContact O-N 3.06Å
492E95.7Very high95Very high83 Ų83106 Ų10639%0.38852%0.522SS..Hα-helixtrans-60.6-38.2176.7-71.2134.8-122.600111.8P488 S489 Q494 E495 K496P488-E492 WeakPolarHBondContact CA-OE2 3.28Å; P488-E492 HydrophobicContact CB-CB 4.3Å; P488-E492 WeakPolarHBondContact CB-OE2 3.29Å; S489-E492 WeakPolarHBondContact CB-OE1 3.45Å; S489-E492 PolarHBondContact N-OE1 3.46Å; S489-E492 PolarHBondContact N-OE2 3.43Å; S489-E492 PolarHBondContact O-N 2.98Å; S489-E492 PolarHBondContact OG-N 3.24Å; S489-E492 PolarHBondContact OG-OE1 3.05Å; E492-Q494 VanDerWaalsContact C-N 3.31Å; E492-Q494 PolarHBondContact O-N 3.24Å; E492-E495 PolarHBondContact O-N 3Å; E492-K496 VanDerWaalsContact O-CB 3.25Å; E492-K496 WeakPolarHBondContact O-CB 3.28Å; E492-K496 WeakPolarHBondContact O-CG 3.18Å; E492-K496 PolarHBondContact O-N 3.05Å
493L96.7Very high94.9Very high38 Ų38103.8 Ų103.820%0.19952%0.515CS..Hα-helixtrans-67.1-31.8175-63176.6000112.3P488 S489 R491 N497 I498 L499P488-L493 HydrophobicContact CB-CD2 3.95Å; P488-L493 HydrophobicContact CB-CG 4.15Å; P488-L493 HydrophobicContact CG-CD2 4.33Å; S489-L493 WeakPolarHBondContact O-CG 3.2Å; S489-L493 PolarHBondContact O-N 3.17Å; R491-L493 VanDerWaalsContact C-N 3.27Å; R491-L493 PolarHBondContact O-N 3.02Å; L493-N497 PolarHBondContact O-N 3.29Å; L493-I498 HydrophobicContact CB-CB 4.46Å; L493-I498 HydrophobicContact CD2-CB 4.49Å; L493-I498 HydrophobicContact CD2-CD1 3.82Å; L493-I498 HydrophobicContact CD2-CG2 4.48Å; L493-I498 WeakPolarHBondContact O-CA 3.43Å; L493-I498 WeakPolarHBondContact O-CB 3.05Å; L493-I498 PolarHBondContact O-N 2.66Å; L493-L499 HydrophobicContact CB-CB 4.48Å; L493-L499 HydrophobicContact CB-CD1 3.76Å; L493-L499 HydrophobicContact CB-CG 3.91Å; L493-L499 HydrophobicContact CD1-CD1 4.04Å; L493-L499 PolarHBondContact O-N 3.39Å
494Q94.8Very high94.9Very high43 Ų43102.1 Ų102.120%0.20151%0.513CS..Hα-helixtrans-72.4-43.9172.2-78.7179.2-3800112.4K490 R491 E492 K496 N497 L499 M501K490-Q494 WeakPolarHBondContact O-CB 3.3Å; K490-Q494 VanDerWaalsContact O-CG 3.28Å; K490-Q494 WeakPolarHBondContact O-CG 3.24Å; K490-Q494 PolarHBondContact O-N 2.83Å; K490-Q494 VanDerWaalsContact O-N 3.12Å; R491-Q494 CarbonylContact O-C 3.4Å; R491-Q494 WeakPolarHBondContact O-CA 3.33Å; R491-Q494 WeakPolarHBondContact O-CB 3.42Å; R491-Q494 PolarHBondContact O-N 2.93Å; E492-Q494 VanDerWaalsContact C-N 3.31Å; E492-Q494 PolarHBondContact O-N 3.24Å; Q494-K496 VanDerWaalsContact C-N 3.31Å; Q494-K496 PolarHBondContact O-N 2.8Å; Q494-N497 WeakPolarHBondContact O-CA 3.28Å; Q494-N497 PolarHBondContact O-N 3.43Å; Q494-L499 WeakPolarHBondContact CA-O 3.37Å; Q494-L499 HydrophobicContact CG-CB 3.82Å; Q494-L499 WeakPolarHBondContact CG-O 3.44Å; Q494-M501 HydrophobicContact CB-CG 3.65Å; Q494-M501 HydrophobicContact CB-SD 3.99Å; Q494-M501 HydrophobicContact CG-CG 3.83Å
495E95.3Very high95Very high127 Ų127102.8 Ų102.859%0.59351%0.513SS*.Hα-helixtrans-65.1-34.7176.5-71170.8-176.400111.8R491 E492 N497R491-E495 VanDerWaalsContact CD-OE1 3.25Å; R491-E495 WeakPolarHBondContact CD-OE1 3.19Å; R491-E495 HydrophobicContact CG-CG 4.23Å; R491-E495 WeakPolarHBondContact CG-OE1 3.43Å; R491-E495 WeakPolarHBondContact O-CG 3.39Å; R491-E495 PolarHBondContact O-N 3.06Å; E492-E495 PolarHBondContact O-N 3Å; E495-N497 PolarHBondContact O-N 3.05Å; E495-N497 PolarHBondContact O-ND2 3.31Å; E495-N497 VanDerWaalsContact O-ND2 3.14Å
496K96.8Very high95Very high135 Ų135103.1 Ų103.159%0.58751%0.505SS*.THydrogen-bonded Turntrans-75.91.7169.6-69.3173.5179.7-179.20113.9E492 Q494 I498E492-K496 VanDerWaalsContact O-CB 3.25Å; E492-K496 WeakPolarHBondContact O-CB 3.28Å; E492-K496 WeakPolarHBondContact O-CG 3.18Å; E492-K496 PolarHBondContact O-N 3.05Å; Q494-K496 VanDerWaalsContact C-N 3.31Å; Q494-K496 PolarHBondContact O-N 2.8Å; K496-I498 HydrophobicContact CB-CD1 3.91Å; K496-I498 HydrophobicContact CB-CG1 4.08Å; K496-I498 HydrophobicContact CD-CD1 4.3Å; K496-I498 PolarHBondContact O-N 2.8Å; K496-I498 VanDerWaalsContact O-N 3.14Å
497N93.3Very high95Very high141 Ų141103.7 Ų103.775%0.75450%0.498SS*.THydrogen-bonded Turntrans5916.1-178.1-65.5-99.8000115.3L493 Q494 E495L493-N497 PolarHBondContact O-N 3.29Å; Q494-N497 WeakPolarHBondContact O-CA 3.28Å; Q494-N497 PolarHBondContact O-N 3.43Å; E495-N497 PolarHBondContact O-N 3.05Å; E495-N497 PolarHBondContact O-ND2 3.31Å; E495-N497 VanDerWaalsContact O-ND2 3.14Å
498I95.5Very high95.1Very high108 Ų10899.5 Ų99.555%0.55449%0.489SS*.SBendtrans-72.1-33.8173.7-61166.8000110.1L493 K496L493-I498 HydrophobicContact CB-CB 4.46Å; L493-I498 HydrophobicContact CD2-CB 4.49Å; L493-I498 HydrophobicContact CD2-CD1 3.82Å; L493-I498 HydrophobicContact CD2-CG2 4.48Å; L493-I498 WeakPolarHBondContact O-CA 3.43Å; L493-I498 WeakPolarHBondContact O-CB 3.05Å; L493-I498 PolarHBondContact O-N 2.66Å; K496-I498 HydrophobicContact CB-CD1 3.91Å; K496-I498 HydrophobicContact CB-CG1 4.08Å; K496-I498 HydrophobicContact CD-CD1 4.3Å; K496-I498 PolarHBondContact O-N 2.8Å; K496-I498 VanDerWaalsContact O-N 3.14Å
499L93.2Very high95.2Very high65 Ų65101.3 Ų101.334%0.3449%0.493SS..SBendtrans-113.8123172.8-65.3179.2000110.2K490 L493 Q494K490-L499 HydrophobicContact CG-CD1 3.97Å; L493-L499 HydrophobicContact CB-CB 4.48Å; L493-L499 HydrophobicContact CB-CD1 3.76Å; L493-L499 HydrophobicContact CB-CG 3.91Å; L493-L499 HydrophobicContact CD1-CD1 4.04Å; L493-L499 PolarHBondContact O-N 3.39Å; Q494-L499 WeakPolarHBondContact CA-O 3.37Å; Q494-L499 HydrophobicContact CG-CB 3.82Å; Q494-L499 WeakPolarHBondContact CG-O 3.44Å
500P91.4Very high95.2Very high100 Ų100105.9 Ų105.965%0.64950%0.504SS*.  trans-56.4140.7173.6-27.536000113.1
501M90.1Very high95.3Very high136 Ų136106.5 Ų106.567%0.6750%0.502SS*.SBendtrans-98.1-15.5174-65-168.276.700113.8Q494Q494-M501 HydrophobicContact CB-CG 3.65Å; Q494-M501 HydrophobicContact CB-SD 3.99Å; Q494-M501 HydrophobicContact CG-CG 3.83Å
502Q91.8Very high95.5Very high102 Ų102104.5 Ų104.548%0.47750%0.5SS..SBendtrans-127.5155.7-175.5-67.8-179.4-41.400109.2E506Q502-E506 HydrophobicContact CB-CB 4.23Å
503S95.3Very high95.6Very high56 Ų56106.1 Ų106.139%0.39251%0.508SS..  trans-66.9157.9168.665.90000111.5Q505 E506 R507S503-Q505 PolarHBondContact O-N 3.22Å; S503-E506 VanDerWaalsContact CB-OE2 3.31Å; S503-E506 WeakPolarHBondContact CB-OE2 3.46Å; S503-E506 PolarHBondContact N-OE2 2.74Å; S503-E506 PolarHBondContact O-N 2.87Å; S503-E506 VanDerWaalsContact OG-CG 3.27Å; S503-E506 WeakPolarHBondContact OG-CG 3.46Å; S503-E506 PolarHBondContact OG-N 3.29Å; S503-E506 PolarHBondContact OG-OE2 2.71Å; S503-R507 WeakPolarHBondContact O-CB 3.44Å; S503-R507 PolarHBondContact O-N 3.15Å
504D95.9Very high95.7Very high105 Ų105107.2 Ų107.256%0.56152%0.516SS*.Hα-helixtrans-63.7-29.3176.7-82.9-55.6000113.7R507 L508D504-R507 PolarHBondContact O-N 2.89Å; D504-R507 IonicContact OD1-CZ 3.19Å; D504-R507 IonicContact OD1-NE 2.85Å; D504-R507 PolarHBondContact OD1-NE 3.35Å; D504-R507 IonicContact OD1-NH2 2.64Å; D504-R507 PolarHBondContact OD1-NH2 3.11Å; D504-L508 VanDerWaalsContact O-CB 3.31Å; D504-L508 WeakPolarHBondContact O-CB 3.28Å; D504-L508 PolarHBondContact O-N 3.42Å
505Q97.2Very high95.9Very high111 Ų111107.4 Ų107.452%0.51953%0.525SS..Hα-helixtrans-64.7-50.5172.9-178.860.123.500111.1S503 R507 L508 E509S503-Q505 PolarHBondContact O-N 3.22Å; Q505-R507 VanDerWaalsContact C-N 3.29Å; Q505-R507 PolarHBondContact O-N 3.17Å; Q505-L508 PolarHBondContact O-N 3.35Å; Q505-E509 PolarHBondContact NE2-OE1 3.18Å; Q505-E509 WeakPolarHBondContact O-CG 3.42Å; Q505-E509 PolarHBondContact O-N 2.86Å
506E96.7Very high96Very high96 Ų96105.2 Ų105.245%0.44952%0.521SS..Hα-helixtrans-61.2-38.7175.3-69.2164115.900111.7Q502 S503 E509 Y510Q502-E506 HydrophobicContact CB-CB 4.23Å; S503-E506 VanDerWaalsContact CB-OE2 3.31Å; S503-E506 WeakPolarHBondContact CB-OE2 3.46Å; S503-E506 PolarHBondContact N-OE2 2.74Å; S503-E506 PolarHBondContact O-N 2.87Å; S503-E506 VanDerWaalsContact OG-CG 3.27Å; S503-E506 WeakPolarHBondContact OG-CG 3.46Å; S503-E506 PolarHBondContact OG-N 3.29Å; S503-E506 PolarHBondContact OG-OE2 2.71Å; E506-E509 PolarHBondContact O-N 2.93Å; E506-Y510 VanDerWaalsContact O-CB 3.25Å; E506-Y510 WeakPolarHBondContact O-CB 3.47Å; E506-Y510 PolarHBondContact O-N 2.86Å
507R96.3Very high96.1Very high131 Ų131104.9 Ų104.949%0.49452%0.52SS..Hα-helixtrans-63.4-39.3176.6-171.6165.474.9137.4-3111.8S503 D504 Q505 R511S503-R507 WeakPolarHBondContact O-CB 3.44Å; S503-R507 PolarHBondContact O-N 3.15Å; D504-R507 PolarHBondContact O-N 2.89Å; D504-R507 IonicContact OD1-CZ 3.19Å; D504-R507 IonicContact OD1-NE 2.85Å; D504-R507 PolarHBondContact OD1-NE 3.35Å; D504-R507 IonicContact OD1-NH2 2.64Å; D504-R507 PolarHBondContact OD1-NH2 3.11Å; Q505-R507 VanDerWaalsContact C-N 3.29Å; Q505-R507 PolarHBondContact O-N 3.17Å; R507-R511 WeakPolarHBondContact O-CB 3.46Å; R507-R511 PolarHBondContact O-N 3.19Å; R507-R511 VanDerWaalsContact O-N 3.1Å
508L97.5Very high96.4Very high95 Ų95102.8 Ų102.850%0.49751%0.508SS..Hα-helixtrans-71.9-43.3175.3-179.759.8000112D504 Q505 R511 Q512D504-L508 VanDerWaalsContact O-CB 3.31Å; D504-L508 WeakPolarHBondContact O-CB 3.28Å; D504-L508 PolarHBondContact O-N 3.42Å; Q505-L508 PolarHBondContact O-N 3.35Å; L508-R511 WeakPolarHBondContact O-CB 3.39Å; L508-R511 PolarHBondContact O-N 3.11Å; L508-Q512 PolarHBondContact O-N 2.83Å
509E97.9Very high96.5Very high86 Ų86102.1 Ų102.140%0.40251%0.509SS..Hα-helixtrans-63-44.9175.7-74.7-179-156.800111.8Q505 E506 R511 Q512 Q513Q505-E509 PolarHBondContact NE2-OE1 3.18Å; Q505-E509 WeakPolarHBondContact O-CG 3.42Å; Q505-E509 PolarHBondContact O-N 2.86Å; E506-E509 PolarHBondContact O-N 2.93Å; E509-R511 VanDerWaalsContact C-N 3.31Å; E509-R511 PolarHBondContact O-N 3.1Å; E509-Q512 PolarHBondContact O-N 3.36Å; E509-Q512 VanDerWaalsContact O-N 3.15Å; E509-Q513 WeakPolarHBondContact O-CB 3.49Å; E509-Q513 VanDerWaalsContact O-CG 3.3Å; E509-Q513 WeakPolarHBondContact O-CG 3.25Å; E509-Q513 PolarHBondContact O-N 3.41Å
510Y97.6Very high96.8Very high145 Ų145106.1 Ų106.157%0.56952%0.519SS*.Hα-helixtrans-61.7-39.2175-178.7-101000111.9E506 T514E506-Y510 VanDerWaalsContact O-CB 3.25Å; E506-Y510 WeakPolarHBondContact O-CB 3.47Å; E506-Y510 PolarHBondContact O-N 2.86Å; Y510-T514 VanDerWaalsContact O-CB 3.25Å; Y510-T514 WeakPolarHBondContact O-CB 3.43Å; Y510-T514 PolarHBondContact O-N 3.03Å; Y510-T514 PolarHBondContact O-OG1 2.75Å
511R97.9Very high97.1Very high161 Ų161109.7 Ų109.761%0.60852%0.52SS*.Hα-helixtrans-61.2-44.9172.1-173-170.7-60.9-94.84.2111.3R507 L508 E509 T514 A515R507-R511 WeakPolarHBondContact O-CB 3.46Å; R507-R511 PolarHBondContact O-N 3.19Å; R507-R511 VanDerWaalsContact O-N 3.1Å; L508-R511 WeakPolarHBondContact O-CB 3.39Å; L508-R511 PolarHBondContact O-N 3.11Å; E509-R511 VanDerWaalsContact C-N 3.31Å; E509-R511 PolarHBondContact O-N 3.1Å; R511-T514 PolarHBondContact O-N 3.1Å; R511-A515 WeakPolarHBondContact O-CB 3.47Å; R511-A515 PolarHBondContact O-N 2.9Å
512Q98.5Very high97.5Very high130 Ų130107.9 Ų107.961%0.60751%0.513SS*.Hα-helixtrans-67.8-42179.3-166.2-170.3101.300112.4L508 E509 T514 A515 T516L508-Q512 PolarHBondContact O-N 2.83Å; E509-Q512 PolarHBondContact O-N 3.36Å; E509-Q512 VanDerWaalsContact O-N 3.15Å; Q512-T514 VanDerWaalsContact C-N 3.32Å; Q512-T514 PolarHBondContact O-N 2.98Å; Q512-A515 PolarHBondContact O-N 2.79Å; Q512-T516 WeakPolarHBondContact O-CG2 3.43Å; Q512-T516 PolarHBondContact O-N 2.79Å; Q512-T516 PolarHBondContact O-OG1 2.72Å
513Q98.4Very high97.7Very high117 Ų117107.6 Ų107.655%0.54752%0.522SS..Hα-helixtrans-62.2-40173.1-70.9177.743.700111.4E509 T516 K517E509-Q513 WeakPolarHBondContact O-CB 3.49Å; E509-Q513 VanDerWaalsContact O-CG 3.3Å; E509-Q513 WeakPolarHBondContact O-CG 3.25Å; E509-Q513 PolarHBondContact O-N 3.41Å; Q513-T516 PolarHBondContact O-OG1 3.45Å; Q513-K517 WeakPolarHBondContact O-CB 3.44Å; Q513-K517 PolarHBondContact O-N 3.11Å; Q513-K517 VanDerWaalsContact O-N 3.07Å
514T98.4Very high97.8Very high61 Ų61111.2 Ų111.237%0.37453%0.532SS..Hα-helixtrans-67.1-45.1175.8-61.50000111.4Y510 R511 Q512 K517 L518Y510-T514 VanDerWaalsContact O-CB 3.25Å; Y510-T514 WeakPolarHBondContact O-CB 3.43Å; Y510-T514 PolarHBondContact O-N 3.03Å; Y510-T514 PolarHBondContact O-OG1 2.75Å; R511-T514 PolarHBondContact O-N 3.1Å; Q512-T514 VanDerWaalsContact C-N 3.32Å; Q512-T514 PolarHBondContact O-N 2.98Å; T514-K517 PolarHBondContact O-N 3.34Å; T514-L518 VanDerWaalsContact O-CB 3.28Å; T514-L518 WeakPolarHBondContact O-CB 3.19Å; T514-L518 PolarHBondContact O-N 3.18Å
515A98.6Very high97.9Very high47 Ų47115.4 Ų115.439%0.38854%0.54SS..Hα-helixtrans-61.8-51.5177.800000112.1R511 Q512 K517 L518 T519R511-A515 WeakPolarHBondContact O-CB 3.47Å; R511-A515 PolarHBondContact O-N 2.9Å; Q512-A515 PolarHBondContact O-N 2.79Å; A515-K517 VanDerWaalsContact C-N 3.33Å; A515-K517 PolarHBondContact O-N 3.14Å; A515-L518 WeakPolarHBondContact O-CB 3.44Å; A515-L518 PolarHBondContact O-N 2.97Å; A515-L518 VanDerWaalsContact O-N 3.08Å; A515-T519 PolarHBondContact O-N 3.27Å; A515-T519 PolarHBondContact O-OG1 2.85Å; A515-T519 VanDerWaalsContact O-OG1 3.1Å
516T98.4Very high98Very high82 Ų82112.7 Ų112.750%0.50353%0.533SS..Hα-helixtrans-62.3-37.9178.451.90000112.7Q512 Q513 R520Q512-T516 WeakPolarHBondContact O-CG2 3.43Å; Q512-T516 PolarHBondContact O-N 2.79Å; Q512-T516 PolarHBondContact O-OG1 2.72Å; Q513-T516 PolarHBondContact O-OG1 3.45Å; T516-R520 PolarHBondContact O-N 2.73Å
517K98.7Very high98Very high128 Ų128111.8 Ų111.856%0.55753%0.533SS*.Hα-helixtrans-65.4-37.9172.3-179.7-178.2175.3-173.20112.2Q513 T514 A515 R521Q513-K517 WeakPolarHBondContact O-CB 3.44Å; Q513-K517 PolarHBondContact O-N 3.11Å; Q513-K517 VanDerWaalsContact O-N 3.07Å; T514-K517 PolarHBondContact O-N 3.34Å; A515-K517 VanDerWaalsContact C-N 3.33Å; A515-K517 PolarHBondContact O-N 3.14Å; K517-R521 WeakPolarHBondContact O-CG 3.37Å; K517-R521 PolarHBondContact O-N 2.93Å
518L98.6Very high97.9Very high96 Ų96108.2 Ų108.250%0.50353%0.532SS..Hα-helixtrans-69-48.5176.317960.7000111.2T514 A515 R520 R521 L522T514-L518 VanDerWaalsContact O-CB 3.28Å; T514-L518 WeakPolarHBondContact O-CB 3.19Å; T514-L518 PolarHBondContact O-N 3.18Å; A515-L518 WeakPolarHBondContact O-CB 3.44Å; A515-L518 PolarHBondContact O-N 2.97Å; A515-L518 VanDerWaalsContact O-N 3.08Å; L518-R520 VanDerWaalsContact C-N 3.28Å; L518-R520 PolarHBondContact O-N 3.49Å; L518-R521 CarbonylContact O-C 3.58Å; L518-R521 WeakPolarHBondContact O-CA 3.44Å; L518-R521 WeakPolarHBondContact O-CB 3.28Å; L518-R521 PolarHBondContact O-N 2.54Å; L518-L522 HydrophobicContact CD1-CD1 4.06Å; L518-L522 HydrophobicContact CD1-CD2 4.39Å; L518-L522 HydrophobicContact CD1-CG 3.98Å; L518-L522 HydrophobicContact CD2-CD1 4.49Å; L518-L522 HydrophobicContact CG-CD1 3.87Å; L518-L522 HydrophobicContact CG-CG 4.24Å; L518-L522 WeakPolarHBondContact O-CG 3.49Å; L518-L522 PolarHBondContact O-N 3.14Å
519T98.4Very high97.8Very high95 Ų95109.3 Ų109.358%0.58354%0.535SS*.Hα-helixtrans-54.2-44.7176.3-55.70000111.4A515 R521 L522 S523A515-T519 PolarHBondContact O-N 3.27Å; A515-T519 PolarHBondContact O-OG1 2.85Å; A515-T519 VanDerWaalsContact O-OG1 3.1Å; T519-R521 VanDerWaalsContact C-N 3.3Å; T519-R521 PolarHBondContact O-N 3.03Å; T519-L522 PolarHBondContact O-N 2.87Å; T519-S523 PolarHBondContact O-N 3.03Å; T519-S523 PolarHBondContact O-OG 3.49Å
520R98.4Very high97.7Very high148 Ų148108.4 Ų108.456%0.55853%0.53SS*.Hα-helixtrans-66.8-25.8175.6-167.7178.671.6-133.93.5113.9T516 L518 S523 Q524T516-R520 PolarHBondContact O-N 2.73Å; L518-R520 VanDerWaalsContact C-N 3.28Å; L518-R520 PolarHBondContact O-N 3.49Å; R520-S523 PolarHBondContact O-OG 3.41Å; R520-Q524 WeakPolarHBondContact O-CB 3.39Å; R520-Q524 VanDerWaalsContact O-CG 3.27Å; R520-Q524 WeakPolarHBondContact O-CG 3.41Å
521R98.3Very high97.6Very high176 Ų176103.8 Ų103.866%0.66452%0.515SS*.Hα-helixtrans-80.4-36.4174-76.1-70-168.81663112K517 L518 T519 Q524 R525K517-R521 WeakPolarHBondContact O-CG 3.37Å; K517-R521 PolarHBondContact O-N 2.93Å; L518-R521 CarbonylContact O-C 3.58Å; L518-R521 WeakPolarHBondContact O-CA 3.44Å; L518-R521 WeakPolarHBondContact O-CB 3.28Å; L518-R521 PolarHBondContact O-N 2.54Å; T519-R521 VanDerWaalsContact C-N 3.3Å; T519-R521 PolarHBondContact O-N 3.03Å; R521-Q524 CarbonylContact O-C 3.55Å; R521-Q524 PolarHBondContact O-N 3.06Å; R521-R525 PolarHBondContact O-N 3.34Å; R521-R525 VanDerWaalsContact O-N 3.16Å
522L98Very high97.4Very high98 Ų9899.5 Ų99.551%0.51350%0.502SS..Hα-helixtrans-71-39.3177.7-67.4174.4000111.8L518 T519 Q524 R525L518-L522 HydrophobicContact CD1-CD1 4.06Å; L518-L522 HydrophobicContact CD1-CD2 4.39Å; L518-L522 HydrophobicContact CD1-CG 3.98Å; L518-L522 HydrophobicContact CD2-CD1 4.49Å; L518-L522 HydrophobicContact CG-CD1 3.87Å; L518-L522 HydrophobicContact CG-CG 4.24Å; L518-L522 WeakPolarHBondContact O-CG 3.49Å; L518-L522 PolarHBondContact O-N 3.14Å; T519-L522 PolarHBondContact O-N 2.87Å; L522-Q524 PolarHBondContact O-N 3.42Å; L522-R525 VanDerWaalsContact O-CB 3.27Å; L522-R525 WeakPolarHBondContact O-CB 3.33Å; L522-R525 PolarHBondContact O-N 3.26Å
523S97.8Very high97.2Very high96 Ų9699.8 Ų99.867%0.67150%0.503SS*.THydrogen-bonded Turntrans-71.6-5.7172.665.70000114.5T519 R520T519-S523 PolarHBondContact O-N 3.03Å; T519-S523 PolarHBondContact O-OG 3.49Å; R520-S523 PolarHBondContact O-OG 3.41Å
524Q97.4Very high97.1Very high131 Ų131100.8 Ų100.861%0.61250%0.502SS*.THydrogen-bonded Turntrans-121.122.1175.4-62.9179.6-6.100111.4R520 R521 L522 P526R520-Q524 WeakPolarHBondContact O-CB 3.39Å; R520-Q524 VanDerWaalsContact O-CG 3.27Å; R520-Q524 WeakPolarHBondContact O-CG 3.41Å; R521-Q524 CarbonylContact O-C 3.55Å; R521-Q524 PolarHBondContact O-N 3.06Å; L522-Q524 PolarHBondContact O-N 3.42Å; Q524-P526 WeakPolarHBondContact O-CD 3.37Å
525R97.8Very high96.8Very high193 Ų193103.1 Ų103.173%0.72851%0.512SS*.PPolyproline II helixtrans-76.1119.7179.7-179.5178.4179.2175.10.4109.7R521 L522R521-R525 PolarHBondContact O-N 3.34Å; R521-R525 VanDerWaalsContact O-N 3.16Å; L522-R525 VanDerWaalsContact O-CB 3.27Å; L522-R525 WeakPolarHBondContact O-CB 3.33Å; L522-R525 PolarHBondContact O-N 3.26Å
526P97.5Very high96.6Very high55 Ų55106.6 Ų106.636%0.35752%0.523SS..PPolyproline II helixtrans-62.6154.2172.8-20.433.4000111.8Q524 E530 L531Q524-P526 WeakPolarHBondContact O-CD 3.37Å; P526-E530 HydrophobicContact CB-CB 4.11Å; P526-L531 HydrophobicContact CB-CD2 4.2Å; P526-L531 HydrophobicContact CB-CG 4.3Å; P526-L531 HydrophobicContact CG-CD2 4.44Å
527T96.8Very high96.4Very high76 Ų76106.1 Ų106.147%0.46652%0.517SS..PPolyproline II helixtrans-69.6166.317271.90000111.4E530 L531T527-E530 PolarHBondContact O-N 3.05Å; T527-E530 WeakPolarHBondContact OG1-CB 3.09Å; T527-E530 PolarHBondContact OG1-N 2.82Å; T527-E530 VanDerWaalsContact OG1-N 3.1Å; T527-L531 WeakPolarHBondContact O-CG 3.25Å; T527-L531 PolarHBondContact O-N 3.33Å
528A95.9Very high95.9Very high56 Ų56103.9 Ų103.946%0.46351%0.508SS..Hα-helixtrans-62.2-47.9175.100000111.4E530 L531 E532 L537A528-E530 VanDerWaalsContact C-N 3.3Å; A528-E530 PolarHBondContact O-N 3.12Å; A528-L531 WeakPolarHBondContact O-CA 3.5Å; A528-L531 WeakPolarHBondContact O-CB 3.21Å; A528-L531 PolarHBondContact O-N 3.1Å; A528-E532 PolarHBondContact O-N 3.25Å; A528-L537 HydrophobicContact CB-CD2 3.91Å
529E94.3Very high95Very high118 Ų118103.6 Ų103.655%0.55151%0.512SS*.Hα-helixtrans-56.4-41.7175.3-164.7-161.4153.900112L531 E532 Q533E529-L531 PolarHBondContact O-N 3.3Å; E529-E532 PolarHBondContact O-N 3.2Å; E529-E532 VanDerWaalsContact O-N 3.1Å; E529-Q533 HydrophobicContact CG-CG 4.47Å; E529-Q533 WeakPolarHBondContact O-CB 3.28Å; E529-Q533 VanDerWaalsContact O-CG 3.28Å; E529-Q533 WeakPolarHBondContact O-CG 3.48Å; E529-Q533 PolarHBondContact O-N 3.47Å; E529-Q533 PolarHBondContact OE1-NE2 3.06Å
530E95.8Very high93.9Very high67 Ų67111 Ų11131%0.31353%0.529SS..Hα-helixtrans-62.4-20.7174.4-98.5-158.2-93.200114.1P526 T527 A528 R534P526-E530 HydrophobicContact CB-CB 4.11Å; T527-E530 PolarHBondContact O-N 3.05Å; T527-E530 WeakPolarHBondContact OG1-CB 3.09Å; T527-E530 PolarHBondContact OG1-N 2.82Å; T527-E530 VanDerWaalsContact OG1-N 3.1Å; A528-E530 VanDerWaalsContact C-N 3.3Å; A528-E530 PolarHBondContact O-N 3.12Å; E530-R534 WeakPolarHBondContact O-CD 3.48Å; E530-R534 VanDerWaalsContact O-CG 3.28Å; E530-R534 WeakPolarHBondContact O-CG 3.4Å; E530-R534 PolarHBondContact O-NH1 3.41Å; E530-R534 IonicContact OE2-CZ 2.86Å; E530-R534 IonicContact OE2-NH1 2.75Å; E530-R534 PolarHBondContact OE2-NH1 3.48Å; E530-R534 IonicContact OE2-NH2 2.71Å; E530-R534 PolarHBondContact OE2-NH2 3.45Å
531L96.6Very high93Very high49 Ų49107.2 Ų107.226%0.25752%0.52SS..Hα-helixtrans-91.4-30.6173.9-63173000111.4P526 T527 A528 E529 R534 N535 I536 L537P526-L531 HydrophobicContact CB-CD2 4.2Å; P526-L531 HydrophobicContact CB-CG 4.3Å; P526-L531 HydrophobicContact CG-CD2 4.44Å; T527-L531 WeakPolarHBondContact O-CG 3.25Å; T527-L531 PolarHBondContact O-N 3.33Å; A528-L531 WeakPolarHBondContact O-CA 3.5Å; A528-L531 WeakPolarHBondContact O-CB 3.21Å; A528-L531 PolarHBondContact O-N 3.1Å; E529-L531 PolarHBondContact O-N 3.3Å; L531-R534 CarbonylContact O-C 3.6Å; L531-R534 PolarHBondContact O-N 3.16Å; L531-N535 PolarHBondContact O-N 2.85Å; L531-N535 VanDerWaalsContact O-N 3.15Å; L531-I536 HydrophobicContact CB-CB 4.27Å; L531-I536 HydrophobicContact CD2-CB 4.27Å; L531-I536 HydrophobicContact CD2-CD1 3.96Å; L531-I536 HydrophobicContact CD2-CG2 4.22Å; L531-I536 PolarHBondContact O-N 3.18Å; L531-L537 HydrophobicContact CB-CB 3.77Å; L531-L537 PolarHBondContact O-N 2.88Å; L531-L537 VanDerWaalsContact O-N 3.1Å
532E93.5Very high92.4Very high70 Ų70104.8 Ų104.833%0.32752%0.52SS..Hα-helixtrans-68.3-47.6172.8-69.1163.9-154.800111.6A528 E529 R534 N535 L537A528-E532 PolarHBondContact O-N 3.25Å; E529-E532 PolarHBondContact O-N 3.2Å; E529-E532 VanDerWaalsContact O-N 3.1Å; E532-R534 PolarHBondContact O-N 3.38Å; E532-R534 VanDerWaalsContact O-N 3.11Å; E532-N535 WeakPolarHBondContact O-CA 3.47Å; E532-N535 PolarHBondContact O-N 3.38Å; E532-L537 WeakPolarHBondContact CA-O 3.41Å; E532-L537 HydrophobicContact CG-CB 3.87Å; E532-L537 HydrophobicContact CG-CD2 3.94Å; E532-L537 HydrophobicContact CG-CG 3.81Å; E532-L537 WeakPolarHBondContact OE1-CD2 3.43Å
533Q94.4Very high91.9Very high136 Ų136105.4 Ų105.464%0.63652%0.523SS*.THydrogen-bonded Turntrans-57.5-24.6172.4-68.6175.711.800112.8E529E529-Q533 HydrophobicContact CG-CG 4.47Å; E529-Q533 WeakPolarHBondContact O-CB 3.28Å; E529-Q533 VanDerWaalsContact O-CG 3.28Å; E529-Q533 WeakPolarHBondContact O-CG 3.48Å; E529-Q533 PolarHBondContact O-N 3.47Å; E529-Q533 PolarHBondContact OE1-NE2 3.06Å
534R96.7Very high91.5Very high138 Ų138106.2 Ų106.252%0.52152%0.516SS..THydrogen-bonded Turntrans-98.14.4175.6-65.7-176.6-172.6106.7-4.4113.7E530 L531 E532 I536E530-R534 WeakPolarHBondContact O-CD 3.48Å; E530-R534 VanDerWaalsContact O-CG 3.28Å; E530-R534 WeakPolarHBondContact O-CG 3.4Å; E530-R534 PolarHBondContact O-NH1 3.41Å; E530-R534 IonicContact OE2-CZ 2.86Å; E530-R534 IonicContact OE2-NH1 2.75Å; E530-R534 PolarHBondContact OE2-NH1 3.48Å; E530-R534 IonicContact OE2-NH2 2.71Å; E530-R534 PolarHBondContact OE2-NH2 3.45Å; L531-R534 CarbonylContact O-C 3.6Å; L531-R534 PolarHBondContact O-N 3.16Å; E532-R534 PolarHBondContact O-N 3.38Å; E532-R534 VanDerWaalsContact O-N 3.11Å; R534-I536 HydrophobicContact CB-CD1 3.97Å; R534-I536 HydrophobicContact CB-CG1 4.15Å; R534-I536 PolarHBondContact O-N 3.01Å
535N90.9Very high91Very high110 Ų110103.9 Ų103.959%0.58851%0.505SS*.THydrogen-bonded Turntrans55.227-176.8-140-112.1000114.7L531 E532L531-N535 PolarHBondContact O-N 2.85Å; L531-N535 VanDerWaalsContact O-N 3.15Å; E532-N535 WeakPolarHBondContact O-CA 3.47Å; E532-N535 PolarHBondContact O-N 3.38Å
536I94.4Very high90.6Very high121 Ų121100.1 Ų100.162%0.62150%0.496SS*.SBendtrans-88.3-41.1174.6-62169.5000109.9L531 R534L531-I536 HydrophobicContact CB-CB 4.27Å; L531-I536 HydrophobicContact CD2-CB 4.27Å; L531-I536 HydrophobicContact CD2-CD1 3.96Å; L531-I536 HydrophobicContact CD2-CG2 4.22Å; L531-I536 PolarHBondContact O-N 3.18Å; R534-I536 HydrophobicContact CB-CD1 3.97Å; R534-I536 HydrophobicContact CB-CG1 4.15Å; R534-I536 PolarHBondContact O-N 3.01Å
537L93.4Very high90.5Very high71 Ų71102.4 Ų102.437%0.37250%0.502SS..SBendtrans-99148165.5-177.459.4000108A528 L531 E532A528-L537 HydrophobicContact CB-CD2 3.91Å; L531-L537 HydrophobicContact CB-CB 3.77Å; L531-L537 PolarHBondContact O-N 2.88Å; L531-L537 VanDerWaalsContact O-N 3.1Å; E532-L537 WeakPolarHBondContact CA-O 3.41Å; E532-L537 HydrophobicContact CG-CB 3.87Å; E532-L537 HydrophobicContact CG-CD2 3.94Å; E532-L537 HydrophobicContact CG-CG 3.81Å; E532-L537 WeakPolarHBondContact OE1-CD2 3.43Å
538K88.9Confident90.3Very high82 Ų82104.4 Ų104.436%0.35751%0.506SS..  trans-104.4134.6176.6-74-72.9-168.4152.20109.4R540 E545K538-R540 PolarHBondContact O-N 3.46Å; K538-E545 WeakPolarHBondContact CE-OE2 3.42Å; K538-E545 IonicContact NZ-OE1 2.72Å; K538-E545 PolarHBondContact NZ-OE1 2.87Å; K538-E545 IonicContact NZ-OE2 3.12Å; K538-E545 PolarHBondContact NZ-OE2 2.94Å
539P80.3Confident90.2Very high90 Ų90108.9 Ų108.958%0.58452%0.515SS*.  trans-50.4126.2160.8-25.335.8000108.9N541P539-N541 PolarHBondContact O-N 3.48Å
540R74.6Confident90.3Very high250 Ų250109.3 Ų109.394%0.94351%0.512SS*.SBendtrans-87.973.4-150.8-168-167.9172.2139.7-0.3113.8K538K538-R540 PolarHBondContact O-N 3.46Å
541N80.4Confident90.4Very high69 Ų69110.6 Ų110.637%0.36952%0.518SS..  trans-158.9104.8162.1-171.61.6000112.6P539 L543 E544 E545P539-N541 PolarHBondContact O-N 3.48Å; N541-L543 PolarHBondContact O-N 3.14Å; N541-L543 WeakPolarHBondContact OD1-CB 3.34Å; N541-L543 PolarHBondContact OD1-N 3.45Å; N541-L543 VanDerWaalsContact OD1-N 3.17Å; N541-E544 HydrophobicContact CB-CB 3.66Å; N541-E544 WeakPolarHBondContact CB-OE2 3.45Å; N541-E544 PolarHBondContact ND2-OE2 3.48Å; N541-E544 VanDerWaalsContact ND2-OE2 3.14Å; N541-E544 WeakPolarHBondContact O-CB 3.34Å; N541-E544 PolarHBondContact O-N 3.06Å; N541-E545 PolarHBondContact O-N 3.38Å; N541-E545 VanDerWaalsContact O-N 3.11Å
542D85.6Confident90.4Very high125 Ų125113.4 Ų113.467%0.66853%0.532SS*.Hα-helixtrans-64-22.2179.7-64.3-15.1000113.2Q546D542-Q546 VanDerWaalsContact O-CG 3.28Å; D542-Q546 WeakPolarHBondContact O-CG 3.46Å; D542-Q546 PolarHBondContact O-N 3.35Å; D542-Q546 PolarHBondContact O-NE2 3.25Å
543L87.6Confident90.6Very high111 Ų111117.4 Ų117.458%0.58155%0.548SS*.Hα-helixtrans-76-32.3174.7-174.764.1000111.5N541 Q546 E547N541-L543 PolarHBondContact O-N 3.14Å; N541-L543 WeakPolarHBondContact OD1-CB 3.34Å; N541-L543 PolarHBondContact OD1-N 3.45Å; N541-L543 VanDerWaalsContact OD1-N 3.17Å; L543-Q546 CarbonylContact O-C 3.58Å; L543-Q546 WeakPolarHBondContact O-CB 3.38Å; L543-Q546 PolarHBondContact O-N 3.37Å; L543-E547 PolarHBondContact O-N 2.92Å
544E87.8Confident90.8Very high113 Ų113118.7 Ų118.753%0.52855%0.547SS..Hα-helixtrans-78.2-43.4-179.4-164.6167.4172.700111.3N541 Q546 E547 E548N541-E544 HydrophobicContact CB-CB 3.66Å; N541-E544 WeakPolarHBondContact CB-OE2 3.45Å; N541-E544 PolarHBondContact ND2-OE2 3.48Å; N541-E544 VanDerWaalsContact ND2-OE2 3.14Å; N541-E544 WeakPolarHBondContact O-CB 3.34Å; N541-E544 PolarHBondContact O-N 3.06Å; E544-Q546 PolarHBondContact O-N 3.32Å; E544-E547 CarbonylContact O-C 3.56Å; E544-E547 WeakPolarHBondContact O-CA 3.08Å; E544-E547 WeakPolarHBondContact O-CB 3.27Å; E544-E547 PolarHBondContact O-N 2.84Å; E544-E548 WeakPolarHBondContact O-CG 3.43Å; E544-E548 PolarHBondContact O-N 3.1Å
545E88.2Confident90.8Very high81 Ų81116.7 Ų116.738%0.37954%0.543SS..Hα-helixtrans-59-31169.3-179168.4-178.900110.8K538 N541 K549K538-E545 WeakPolarHBondContact CE-OE2 3.42Å; K538-E545 IonicContact NZ-OE1 2.72Å; K538-E545 PolarHBondContact NZ-OE1 2.87Å; K538-E545 IonicContact NZ-OE2 3.12Å; K538-E545 PolarHBondContact NZ-OE2 2.94Å; N541-E545 PolarHBondContact O-N 3.38Å; N541-E545 VanDerWaalsContact O-N 3.11Å; E545-K549 WeakPolarHBondContact O-CB 3.48Å; E545-K549 PolarHBondContact O-N 3.44Å
546Q90Very high91.2Very high115 Ų115115.9 Ų115.954%0.53754%0.539SS..Hα-helixtrans-76.2-30.2171.5-74.9178.281.900113.9D542 L543 E544 R550D542-Q546 VanDerWaalsContact O-CG 3.28Å; D542-Q546 WeakPolarHBondContact O-CG 3.46Å; D542-Q546 PolarHBondContact O-N 3.35Å; D542-Q546 PolarHBondContact O-NE2 3.25Å; L543-Q546 CarbonylContact O-C 3.58Å; L543-Q546 WeakPolarHBondContact O-CB 3.38Å; L543-Q546 PolarHBondContact O-N 3.37Å; E544-Q546 PolarHBondContact O-N 3.32Å; Q546-R550 WeakPolarHBondContact O-CB 3.3Å; Q546-R550 WeakPolarHBondContact O-CG 3.45Å; Q546-R550 PolarHBondContact O-N 3.42Å; Q546-R550 PolarHBondContact O-NE 2.85Å
547E93.6Very high91.3Very high102 Ų102113.3 Ų113.348%0.47753%0.531SS..Hα-helixtrans-68.2-53.9171.8-16696.1-10600110.8L543 E544 K549 R550 E551L543-E547 PolarHBondContact O-N 2.92Å; E544-E547 CarbonylContact O-C 3.56Å; E544-E547 WeakPolarHBondContact O-CA 3.08Å; E544-E547 WeakPolarHBondContact O-CB 3.27Å; E544-E547 PolarHBondContact O-N 2.84Å; E547-K549 VanDerWaalsContact C-N 3.28Å; E547-K549 PolarHBondContact O-N 3.38Å; E547-R550 VanDerWaalsContact CA-NH2 3.27Å; E547-R550 CarbonylContact O-C 3.35Å; E547-R550 WeakPolarHBondContact O-CA 3.33Å; E547-R550 WeakPolarHBondContact O-CB 3.25Å; E547-R550 PolarHBondContact O-N 2.89Å; E547-R550 IonicContact OE1-CZ 3.39Å; E547-R550 IonicContact OE1-NH1 3.29Å; E547-R550 PolarHBondContact OE1-NH1 3.45Å; E547-R550 IonicContact OE1-NH2 3.11Å; E547-R550 PolarHBondContact OE1-NH2 2.84Å; E547-R550 IonicContact OE2-NH2 2.74Å; E547-R550 PolarHBondContact OE2-NH2 3.31Å; E547-E551 WeakPolarHBondContact O-CB 3.41Å; E547-E551 PolarHBondContact O-N 3.28Å
548E92.9Very high91.5Very high118 Ų118116.7 Ų116.755%0.55154%0.543SS*.Hα-helixtrans-53.6-45.8174.3-69.9-167.3139.500111E544 R550 E551 I552E544-E548 WeakPolarHBondContact O-CG 3.43Å; E544-E548 PolarHBondContact O-N 3.1Å; E548-R550 VanDerWaalsContact C-N 3.34Å; E548-R550 PolarHBondContact O-N 2.79Å; E548-E551 PolarHBondContact O-N 2.9Å; E548-I552 HydrophobicContact CB-CD1 4.43Å; E548-I552 VanDerWaalsContact O-CB 3.28Å; E548-I552 WeakPolarHBondContact O-CB 3.35Å; E548-I552 WeakPolarHBondContact O-CD1 3.25Å; E548-I552 WeakPolarHBondContact O-CG1 3.25Å; E548-I552 PolarHBondContact O-N 2.62Å
549K95.3Very high91.9Very high151 Ų151119.2 Ų119.266%0.65755%0.554SS**Hα-helixtrans-66.3-33.1178.2-172.9175.1-177.11780112.8E545 E547 K553E545-K549 WeakPolarHBondContact O-CB 3.48Å; E545-K549 PolarHBondContact O-N 3.44Å; E547-K549 VanDerWaalsContact C-N 3.28Å; E547-K549 PolarHBondContact O-N 3.38Å; K549-K553 WeakPolarHBondContact O-CB 3.38Å; K549-K553 PolarHBondContact O-N 3.28Å; K549-K553 VanDerWaalsContact O-N 3.13Å
550R95.8Very high92.7Very high127 Ų127120.3 Ų120.348%0.47955%0.554SS.*Hα-helixtrans-69.6-44.9171.6-78.5177.3-68.2126.3-4.9111.3Q546 E547 E548 K553 R554Q546-R550 WeakPolarHBondContact O-CB 3.3Å; Q546-R550 WeakPolarHBondContact O-CG 3.45Å; Q546-R550 PolarHBondContact O-N 3.42Å; Q546-R550 PolarHBondContact O-NE 2.85Å; E547-R550 VanDerWaalsContact CA-NH2 3.27Å; E547-R550 CarbonylContact O-C 3.35Å; E547-R550 WeakPolarHBondContact O-CA 3.33Å; E547-R550 WeakPolarHBondContact O-CB 3.25Å; E547-R550 PolarHBondContact O-N 2.89Å; E547-R550 IonicContact OE1-CZ 3.39Å; E547-R550 IonicContact OE1-NH1 3.29Å; E547-R550 PolarHBondContact OE1-NH1 3.45Å; E547-R550 IonicContact OE1-NH2 3.11Å; E547-R550 PolarHBondContact OE1-NH2 2.84Å; E547-R550 IonicContact OE2-NH2 2.74Å; E547-R550 PolarHBondContact OE2-NH2 3.31Å; E548-R550 VanDerWaalsContact C-N 3.34Å; E548-R550 PolarHBondContact O-N 2.79Å; R550-K553 PolarHBondContact O-N 3.27Å; R550-R554 VanDerWaalsContact O-CB 3.28Å; R550-R554 WeakPolarHBondContact O-CB 3.31Å; R550-R554 PolarHBondContact O-N 2.83Å
551E96.5Very high93.7Very high94 Ų94112.7 Ų112.744%0.43954%0.539SS..Hα-helixtrans-60.3-53.8175.5170.889.1-92.400111.5E547 E548 K553 R554 H555E547-E551 WeakPolarHBondContact O-CB 3.41Å; E547-E551 PolarHBondContact O-N 3.28Å; E548-E551 PolarHBondContact O-N 2.9Å; E551-K553 VanDerWaalsContact C-N 3.3Å; E551-K553 PolarHBondContact O-N 3.42Å; E551-R554 VanDerWaalsContact CD-NH2 3.34Å; E551-R554 CarbonylContact O-C 3.56Å; E551-R554 WeakPolarHBondContact O-CB 3.49Å; E551-R554 PolarHBondContact O-N 3.21Å; E551-R554 VanDerWaalsContact O-N 3.12Å; E551-R554 IonicContact OE1-CZ 2.92Å; E551-R554 IonicContact OE1-NE 2.66Å; E551-R554 PolarHBondContact OE1-NE 3.15Å; E551-R554 IonicContact OE1-NH2 3.43Å; E551-R554 PolarHBondContact OE1-NH2 2.89Å; E551-R554 IonicContact OE2-NH2 3.42Å; E551-R554 PolarHBondContact OE2-NH2 2.82Å; E551-H555 WeakPolarHBondContact O-CB 3.38Å; E551-H555 PolarHBondContact O-N 3.23Å
552I97.3Very high94.4Very high108 Ų108115 Ų11555%0.55455%0.551SS**Hα-helixtrans-59.5-42.8179.3-68.9164.3000110E548 H555 L556E548-I552 HydrophobicContact CB-CD1 4.43Å; E548-I552 VanDerWaalsContact O-CB 3.28Å; E548-I552 WeakPolarHBondContact O-CB 3.35Å; E548-I552 WeakPolarHBondContact O-CD1 3.25Å; E548-I552 WeakPolarHBondContact O-CG1 3.25Å; E548-I552 PolarHBondContact O-N 2.62Å; I552-H555 PolarHBondContact O-N 3.17Å; I552-L556 WeakPolarHBondContact O-CB 3.28Å; I552-L556 PolarHBondContact O-N 2.92Å
553K97.9Very high94.8Very high153 Ų153117.4 Ų117.467%0.66555%0.551SS**Hα-helixtrans-61.6-48.5173.6-174.5-179.8179-175.40111.4K549 R550 E551 H555 L556 S557K549-K553 WeakPolarHBondContact O-CB 3.38Å; K549-K553 PolarHBondContact O-N 3.28Å; K549-K553 VanDerWaalsContact O-N 3.13Å; R550-K553 PolarHBondContact O-N 3.27Å; E551-K553 VanDerWaalsContact C-N 3.3Å; E551-K553 PolarHBondContact O-N 3.42Å; K553-H555 PolarHBondContact O-N 2.86Å; K553-L556 PolarHBondContact O-N 3.38Å; K553-S557 WeakPolarHBondContact O-CB 3.45Å; K553-S557 PolarHBondContact O-N 2.84Å; K553-S557 PolarHBondContact O-OG 3.48Å; K553-S557 VanDerWaalsContact O-OG 3.13Å
554R97.9Very high95Very high164 Ų164115 Ų11562%0.61954%0.542SS*.Hα-helixtrans-56.9-48176.7175178.776.3169.21111.9R550 E551 K558R550-R554 VanDerWaalsContact O-CB 3.28Å; R550-R554 WeakPolarHBondContact O-CB 3.31Å; R550-R554 PolarHBondContact O-N 2.83Å; E551-R554 VanDerWaalsContact CD-NH2 3.34Å; E551-R554 CarbonylContact O-C 3.56Å; E551-R554 WeakPolarHBondContact O-CB 3.49Å; E551-R554 PolarHBondContact O-N 3.21Å; E551-R554 VanDerWaalsContact O-N 3.12Å; E551-R554 IonicContact OE1-CZ 2.92Å; E551-R554 IonicContact OE1-NE 2.66Å; E551-R554 PolarHBondContact OE1-NE 3.15Å; E551-R554 IonicContact OE1-NH2 3.43Å; E551-R554 PolarHBondContact OE1-NH2 2.89Å; E551-R554 IonicContact OE2-NH2 3.42Å; E551-R554 PolarHBondContact OE2-NH2 2.82Å; R554-K558 PolarHBondContact O-N 3.35Å
555H97.9Very high95.1Very high96 Ų96112.5 Ų112.544%0.44454%0.535SS..Hα-helixtrans-67.6-42.8-179.3-175.877.5000112.1E551 I552 K553 K558 K559E551-H555 WeakPolarHBondContact O-CB 3.38Å; E551-H555 PolarHBondContact O-N 3.23Å; I552-H555 PolarHBondContact O-N 3.17Å; K553-H555 PolarHBondContact O-N 2.86Å; H555-K558 PolarHBondContact O-N 3.07Å; H555-K559 WeakPolarHBondContact NE2-CE 3.44Å; H555-K559 PolarHBondContact NE2-NZ 2.87Å; H555-K559 PolarHBondContact O-N 3.08Å
556L98.1Very high95Very high93 Ų93110.7 Ų110.749%0.48753%0.529SS..Hα-helixtrans-64.8-45.1175-179.460.1000111.3I552 K553 K558 K559 L560I552-L556 WeakPolarHBondContact O-CB 3.28Å; I552-L556 PolarHBondContact O-N 2.92Å; K553-L556 PolarHBondContact O-N 3.38Å; L556-K558 VanDerWaalsContact C-N 3.31Å; L556-K558 PolarHBondContact O-N 2.84Å; L556-K559 PolarHBondContact O-N 3.37Å; L556-K559 VanDerWaalsContact O-N 3.15Å; L556-L560 HydrophobicContact CD1-CD1 3.97Å; L556-L560 HydrophobicContact CD1-CG 4.03Å; L556-L560 HydrophobicContact CG-CD1 3.89Å; L556-L560 HydrophobicContact CG-CG 4.35Å; L556-L560 WeakPolarHBondContact O-CB 3.27Å; L556-L560 WeakPolarHBondContact O-CG 3.31Å; L556-L560 PolarHBondContact O-N 3.18Å
557S97.5Very high94.8Very high67 Ų67111 Ų11147%0.46953%0.531SS..Hα-helixtrans-56.1-45.2173.8-71.50000111.6K553 L560 S561K553-S557 WeakPolarHBondContact O-CB 3.45Å; K553-S557 PolarHBondContact O-N 2.84Å; K553-S557 PolarHBondContact O-OG 3.48Å; K553-S557 VanDerWaalsContact O-OG 3.13Å; S557-L560 PolarHBondContact O-N 3.1Å; S557-S561 PolarHBondContact O-N 2.98Å; S557-S561 PolarHBondContact O-OG 2.76Å
558K97.4Very high94.6Very high142 Ų142110.7 Ų110.762%0.61753%0.529SS*.Hα-helixtrans-63-41.2175.3-171.5175-179.1177.60112.7R554 H555 L556 L560 S561 N562R554-K558 PolarHBondContact O-N 3.35Å; H555-K558 PolarHBondContact O-N 3.07Å; L556-K558 VanDerWaalsContact C-N 3.31Å; L556-K558 PolarHBondContact O-N 2.84Å; K558-L560 VanDerWaalsContact C-N 3.32Å; K558-L560 PolarHBondContact O-N 3.21Å; K558-S561 WeakPolarHBondContact CA-OG 3.27Å; K558-S561 PolarHBondContact O-OG 3.28Å; K558-N562 WeakPolarHBondContact O-CB 3.43Å; K558-N562 PolarHBondContact O-N 2.99Å; K558-N562 PolarHBondContact O-OD1 2.87Å; K558-N562 VanDerWaalsContact O-OD1 3.07Å
559K97.4Very high94.4Very high135 Ų135106.5 Ų106.559%0.58751%0.51SS*.Hα-helixtrans-67.5-29.5175.8-83.2-178.5166.5167.10113.5H555 L556H555-K559 WeakPolarHBondContact NE2-CE 3.44Å; H555-K559 PolarHBondContact NE2-NZ 2.87Å; H555-K559 PolarHBondContact O-N 3.08Å; L556-K559 PolarHBondContact O-N 3.37Å; L556-K559 VanDerWaalsContact O-N 3.15Å
560L95.9Very high93.9Very high112 Ų112104.5 Ų104.559%0.58650%0.499SS*.Hα-helixtrans-82.9-31.5176.8-67.9174.4000112.7L556 S557 K558 R563L556-L560 HydrophobicContact CD1-CD1 3.97Å; L556-L560 HydrophobicContact CD1-CG 4.03Å; L556-L560 HydrophobicContact CG-CD1 3.89Å; L556-L560 HydrophobicContact CG-CG 4.35Å; L556-L560 WeakPolarHBondContact O-CB 3.27Å; L556-L560 WeakPolarHBondContact O-CG 3.31Å; L556-L560 PolarHBondContact O-N 3.18Å; S557-L560 PolarHBondContact O-N 3.1Å; K558-L560 VanDerWaalsContact C-N 3.32Å; K558-L560 PolarHBondContact O-N 3.21Å; L560-R563 VanDerWaalsContact O-CB 3.31Å; L560-R563 WeakPolarHBondContact O-CB 3.41Å
561S95.8Very high93.6Very high90 Ų90106.3 Ų106.363%0.62951%0.512SS*.Hα-helixtrans-71.8-37171.358.80000112.3S557 K558 R563S557-S561 PolarHBondContact O-N 2.98Å; S557-S561 PolarHBondContact O-OG 2.76Å; K558-S561 WeakPolarHBondContact CA-OG 3.27Å; K558-S561 PolarHBondContact O-OG 3.28Å; S561-R563 PolarHBondContact O-N 2.92Å
562N95.1Very high93.3Very high117 Ų117104.8 Ų104.863%0.62652%0.516SS*.THydrogen-bonded Turntrans-90.936.1174.7-66.394.2000112.1K558K558-N562 WeakPolarHBondContact O-CB 3.43Å; K558-N562 PolarHBondContact O-N 2.99Å; K558-N562 PolarHBondContact O-OD1 2.87Å; K558-N562 VanDerWaalsContact O-OD1 3.07Å
563R94.3Very high92.8Very high177 Ų177107.3 Ų107.367%0.66852%0.523SS*.PPolyproline II helixtrans-80.6121.6173.9-178.5-178.5179.4-148.1-3.6108.9L560 S561L560-R563 VanDerWaalsContact O-CB 3.31Å; L560-R563 WeakPolarHBondContact O-CB 3.41Å; S561-R563 PolarHBondContact O-N 2.92Å
564P91.8Very high92.1Very high59 Ų59105.7 Ų105.738%0.38352%0.52SS..PPolyproline II helixtrans-67.2154.8-178.528-35.5000112.3E568 L569P564-E568 WeakPolarHBondContact CA-OE2 3.26Å; P564-E568 HydrophobicContact CB-CB 4.33Å; P564-E568 WeakPolarHBondContact CB-OE2 3.49Å; P564-L569 HydrophobicContact CB-CD2 4.29Å; P564-L569 HydrophobicContact CB-CG 4.24Å; P564-L569 HydrophobicContact CG-CD1 4.23Å; P564-L569 HydrophobicContact CG-CD2 3.8Å; P564-L569 HydrophobicContact CG-CG 4.03Å
565T90.3Very high91Very high61 Ų6199 Ų9937%0.37450%0.497SS..PPolyproline II helixtrans-71.6165.5176.461.20000112.3E567 E568 L569T565-E567 PolarHBondContact O-N 3.45Å; T565-E568 WeakPolarHBondContact CB-OE1 3.35Å; T565-E568 WeakPolarHBondContact CG2-OE1 3.33Å; T565-E568 PolarHBondContact N-OE1 2.64Å; T565-E568 PolarHBondContact N-OE2 2.85Å; T565-E568 VanDerWaalsContact N-OE2 3.07Å; T565-E568 WeakPolarHBondContact OG1-CB 3.36Å; T565-E568 WeakPolarHBondContact OG1-CG 3.46Å; T565-E568 PolarHBondContact OG1-N 3.12Å; T565-E568 PolarHBondContact OG1-OE1 3.38Å; T565-L569 VanDerWaalsContact O-CG 3.28Å; T565-L569 WeakPolarHBondContact O-CG 3.49Å; T565-L569 PolarHBondContact O-N 2.88Å
566V86Confident89.6Confident43 Ų43101.3 Ų101.326%0.26151%0.511SS..Hα-helixtrans-65.7-30.1176.3169.90000110.4R570 Y581V566-R570 WeakPolarHBondContact O-CD 3.47Å; V566-R570 VanDerWaalsContact O-CG 3.24Å; V566-R570 WeakPolarHBondContact O-CG 3.46Å; V566-R570 PolarHBondContact O-N 2.96Å; V566-R570 VanDerWaalsContact O-N 3.1Å; V566-Y581 HydrophobicContact CB-CD2 4.26Å; V566-Y581 HydrophobicContact CB-CE2 4.13Å; V566-Y581 HydrophobicContact CG1-CD2 3.59Å; V566-Y581 HydrophobicContact CG1-CE2 3.77Å; V566-Y581 HydrophobicContact CG2-CD2 3.7Å; V566-Y581 HydrophobicContact CG2-CE2 3.57Å; V566-Y581 HydrophobicContact CG2-CG 4.44Å
567E85.4Confident88.1Confident123 Ų123106 Ų10658%0.57552%0.522SS*.Hα-helixtrans-73-50.8-178-66.355.2-123.100110.1T565 L569 R570 E571T565-E567 PolarHBondContact O-N 3.45Å; E567-L569 VanDerWaalsContact C-N 3.27Å; E567-L569 PolarHBondContact O-N 2.9Å; E567-R570 WeakPolarHBondContact O-CB 3.3Å; E567-R570 PolarHBondContact O-N 2.86Å; E567-E571 PolarHBondContact O-N 3.38Å
568E90.1Very high85.9Confident95 Ų95111.1 Ų111.144%0.44454%0.536SS..Hα-helixtrans-54.3-42.8171.5-75.1151.6-130.200111.9P564 T565 R570 E571 A572P564-E568 WeakPolarHBondContact CA-OE2 3.26Å; P564-E568 HydrophobicContact CB-CB 4.33Å; P564-E568 WeakPolarHBondContact CB-OE2 3.49Å; T565-E568 WeakPolarHBondContact CB-OE1 3.35Å; T565-E568 WeakPolarHBondContact CG2-OE1 3.33Å; T565-E568 PolarHBondContact N-OE1 2.64Å; T565-E568 PolarHBondContact N-OE2 2.85Å; T565-E568 VanDerWaalsContact N-OE2 3.07Å; T565-E568 WeakPolarHBondContact OG1-CB 3.36Å; T565-E568 WeakPolarHBondContact OG1-CG 3.46Å; T565-E568 PolarHBondContact OG1-N 3.12Å; T565-E568 PolarHBondContact OG1-OE1 3.38Å; E568-R570 VanDerWaalsContact C-N 3.32Å; E568-R570 PolarHBondContact O-N 3.05Å; E568-E571 PolarHBondContact O-N 3.25Å; E568-A572 WeakPolarHBondContact O-CB 3.35Å; E568-A572 PolarHBondContact O-N 3.08Å
569L89.6Confident83.9Confident29 Ų29108 Ų10815%0.15253%0.533CS..Hα-helixtrans-70.9-25.2179.4-68.3174.2000113.3P564 T565 E567 I574 L575P564-L569 HydrophobicContact CB-CD2 4.29Å; P564-L569 HydrophobicContact CB-CG 4.24Å; P564-L569 HydrophobicContact CG-CD1 4.23Å; P564-L569 HydrophobicContact CG-CD2 3.8Å; P564-L569 HydrophobicContact CG-CG 4.03Å; T565-L569 VanDerWaalsContact O-CG 3.28Å; T565-L569 WeakPolarHBondContact O-CG 3.49Å; T565-L569 PolarHBondContact O-N 2.88Å; E567-L569 VanDerWaalsContact C-N 3.27Å; E567-L569 PolarHBondContact O-N 2.9Å; L569-I574 HydrophobicContact CD2-CB 4.24Å; L569-I574 HydrophobicContact CD2-CD1 3.79Å; L569-I574 HydrophobicContact CD2-CG2 4.29Å; L569-I574 WeakPolarHBondContact O-CA 3.43Å; L569-I574 WeakPolarHBondContact O-CB 3.29Å; L569-I574 PolarHBondContact O-N 2.86Å; L569-L575 HydrophobicContact CB-CD1 3.63Å; L569-L575 HydrophobicContact CD1-CD1 3.98Å; L569-L575 HydrophobicContact CG-CD1 4.4Å; L569-L575 PolarHBondContact O-N 3Å
570R83.7Confident82.3Confident109 Ų109107.2 Ų107.241%0.41154%0.535SS..Hα-helixtrans-76.5-43.7171-72.9165.6-172.6-116.26.5110.9V566 E567 E568 K573 L575V566-R570 WeakPolarHBondContact O-CD 3.47Å; V566-R570 VanDerWaalsContact O-CG 3.24Å; V566-R570 WeakPolarHBondContact O-CG 3.46Å; V566-R570 PolarHBondContact O-N 2.96Å; V566-R570 VanDerWaalsContact O-N 3.1Å; E567-R570 WeakPolarHBondContact O-CB 3.3Å; E567-R570 PolarHBondContact O-N 2.86Å; E568-R570 VanDerWaalsContact C-N 3.32Å; E568-R570 PolarHBondContact O-N 3.05Å; R570-K573 WeakPolarHBondContact O-CA 3.45Å; R570-K573 PolarHBondContact O-N 2.93Å; R570-L575 HydrophobicContact CG-CB 4.17Å
571E89.8Confident80.7Confident165 Ų165106.5 Ų106.577%0.77153%0.525SS*.Hα-helixtrans-62.6-44.5176.3-176.1174.9-165.600111.8E567 E568 K573E567-E571 PolarHBondContact O-N 3.38Å; E568-E571 PolarHBondContact O-N 3.25Å; E571-K573 PolarHBondContact O-N 3.04Å
572A89.4Confident79.1Confident63 Ų63108.3 Ų108.352%0.52153%0.532SS..THydrogen-bonded Turntrans-67.1-1.2172.600000113.9E568 I574E568-A572 WeakPolarHBondContact O-CB 3.35Å; E568-A572 PolarHBondContact O-N 3.08Å; A572-I574 HydrophobicContact CB-CD1 4.05Å; A572-I574 HydrophobicContact CB-CG1 4.05Å; A572-I574 PolarHBondContact O-N 3.17Å
573K86.5Confident77.8Confident161 Ų161111.7 Ų111.770%0.754%0.544SS*.THydrogen-bonded Turntrans5630.1-178.7-58.9167.2-1711690113.2R570 E571 I576R570-K573 WeakPolarHBondContact O-CA 3.45Å; R570-K573 PolarHBondContact O-N 2.93Å; E571-K573 PolarHBondContact O-N 3.04Å; K573-I576 WeakPolarHBondContact O-CD1 3.41Å; K573-I576 WeakPolarHBondContact O-CG1 3.31Å
574I83.4Confident76.3Confident118 Ų118110 Ų11061%0.60555%0.553SS**SBendtrans-81.3-40.5172.3-61.3176.4000109L569 A572L569-I574 HydrophobicContact CD2-CB 4.24Å; L569-I574 HydrophobicContact CD2-CD1 3.79Å; L569-I574 HydrophobicContact CD2-CG2 4.29Å; L569-I574 WeakPolarHBondContact O-CA 3.43Å; L569-I574 WeakPolarHBondContact O-CB 3.29Å; L569-I574 PolarHBondContact O-N 2.86Å; A572-I574 HydrophobicContact CB-CD1 4.05Å; A572-I574 HydrophobicContact CB-CG1 4.05Å; A572-I574 PolarHBondContact O-N 3.17Å
575L74.9Confident75.2Confident25 Ų25111.2 Ų111.213%0.13157%0.568CS.*  trans-97.589.2167-85.298.4000111.7L569 R570 R577 D580 Y581L569-L575 HydrophobicContact CB-CD1 3.63Å; L569-L575 HydrophobicContact CD1-CD1 3.98Å; L569-L575 HydrophobicContact CG-CD1 4.4Å; L569-L575 PolarHBondContact O-N 3Å; R570-L575 HydrophobicContact CG-CB 4.17Å; L575-R577 VanDerWaalsContact C-N 3.33Å; L575-D580 HydrophobicContact CD2-CB 4.02Å; L575-Y581 HydrophobicContact CD1-CE2 3.73Å; L575-Y581 HydrophobicContact CD2-CD2 3.52Å; L575-Y581 HydrophobicContact CD2-CE2 3.22Å; L575-Y581 HydrophobicContact CD2-CG 4.42Å; L575-Y581 HydrophobicContact CG-CE2 4.11Å
576I68.8Low74.2Confident144 Ų144117.9 Ų117.974%0.73860%0.595SS**  trans-79-15.5-179.2-54.7177.9000112.1K573K573-I576 WeakPolarHBondContact O-CD1 3.41Å; K573-I576 WeakPolarHBondContact O-CG1 3.31Å
577R66.2Low73.6Confident191 Ų191119.3 Ų119.372%0.72161%0.611SS**SBendtrans-127.5137.8178.9-73.7-170.8155.4-167.3-9.1112L575 S579L575-R577 VanDerWaalsContact C-N 3.33Å; R577-S579 PolarHBondContact O-N 3.17Å; R577-S579 VanDerWaalsContact O-N 3.1Å
578F52.7Low72.9Confident174 Ų174121.9 Ų121.976%0.76362%0.623SS**THydrogen-bonded Turntrans-73.5-1.3-165.663.4-93.9000115.4
579S55.6Low72.1Confident78 Ų78124.2 Ų124.255%0.54564%0.639SS.*THydrogen-bonded Turntrans-115.52.4-165.5580000115.5R577 Y581R577-S579 PolarHBondContact O-N 3.17Å; R577-S579 VanDerWaalsContact O-N 3.1Å; S579-Y581 VanDerWaalsContact C-N 3.26Å; S579-Y581 PolarHBondContact O-N 3.25Å
580D63.7Low71.4Confident118 Ų118130.2 Ų130.263%0.63166%0.66SS**SBendtrans-82.51.7-178.3-73.7-31.2000114.1L575L575-D580 HydrophobicContact CD2-CB 4.02Å
581Y61.1Low70.9Confident97 Ų97130 Ų13038%0.3867%0.667SS.*SBendtrans-118128.2166.4-69-53000111V566 L575 S579V566-Y581 HydrophobicContact CB-CD2 4.26Å; V566-Y581 HydrophobicContact CB-CE2 4.13Å; V566-Y581 HydrophobicContact CG1-CD2 3.59Å; V566-Y581 HydrophobicContact CG1-CE2 3.77Å; V566-Y581 HydrophobicContact CG2-CD2 3.7Å; V566-Y581 HydrophobicContact CG2-CE2 3.57Å; V566-Y581 HydrophobicContact CG2-CG 4.44Å; L575-Y581 HydrophobicContact CD1-CE2 3.73Å; L575-Y581 HydrophobicContact CD2-CD2 3.52Å; L575-Y581 HydrophobicContact CD2-CE2 3.22Å; L575-Y581 HydrophobicContact CD2-CG 4.42Å; L575-Y581 HydrophobicContact CG-CE2 4.11Å; S579-Y581 VanDerWaalsContact C-N 3.26Å; S579-Y581 PolarHBondContact O-N 3.25Å
582V63.4Low70.2Confident128 Ų128128.5 Ų128.578%0.77666%0.655SS**  trans-90.9126.1171.5179.80000108V584V582-V584 PolarHBondContact O-N 3Å
583E67.8Low69.4Low188 Ų188136.2 Ų136.288%0.87967%0.67SS**  trans-67.4114.1170.6-68.9173.5-171.100109.4A585E583-A585 PolarHBondContact O-N 2.93Å
584V62.9Low68.7Low142 Ų142131 Ų13186%0.86166%0.657SS**  trans-9083.2177.8-175.50000108.7V582V582-V584 PolarHBondContact O-N 3Å
585A68.7Low68.3Low83 Ų83130.3 Ų130.369%0.68666%0.655SS**  trans-76.314616800000110.9E583 A587E583-A585 PolarHBondContact O-N 2.93Å; A585-A587 PolarHBondContact O-N 3.31Å; A585-A587 VanDerWaalsContact O-N 3.08Å
586E68.1Low68.5Low202 Ų202133.1 Ų133.194%0.94467%0.666SS**  trans-68.8104.3167.8-68.4-169.5146.500109.5
587A73.8Confident68.7Low73 Ų73130.6 Ų130.660%0.60366%0.659SS**  trans-74.4132.817200000109.8A585 D589A585-A587 PolarHBondContact O-N 3.31Å; A585-A587 VanDerWaalsContact O-N 3.08Å; A587-D589 PolarHBondContact O-N 3.11Å
588Q70.9Confident69.1Low177 Ų177129.4 Ų129.483%0.82765%0.654SS**  trans-56.2128.5169.3-72.9-178.5-18.100110.2Y590Q588-Y590 WeakPolarHBondContact O-CD1 3.48Å; Q588-Y590 PolarHBondContact O-N 3.06Å
589D73.6Confident70.3Confident143 Ų143125.3 Ų125.377%0.76564%0.643SS**  trans-7777175.3-98-33.1000111A587 R592A587-D589 PolarHBondContact O-N 3.11Å; D589-R592 IonicContact OD1-CZ 2.98Å; D589-R592 IonicContact OD1-NH1 2.66Å; D589-R592 PolarHBondContact OD1-NH1 3.34Å; D589-R592 IonicContact OD1-NH2 3.91Å
590Y73.8Confident71.6Confident156 Ų156130.2 Ų130.261%0.61265%0.65SS**  trans-68.3141.2163.964.6-92000110.1Q588 R592Q588-Y590 WeakPolarHBondContact O-CD1 3.48Å; Q588-Y590 PolarHBondContact O-N 3.06Å; Y590-R592 HydrophobicContact CD2-CG 4.02Å; Y590-R592 HydrophobicContact CE2-CG 3.6Å; Y590-R592 PolarHBondContact O-N 3.5Å
591D74.2Confident72.7Confident103 Ų103127 Ų12755%0.55163%0.633SS**  trans-70.4103.4-178.4-178.119.1000111.8R593 A594D591-R593 PolarHBondContact O-N 3.2Å; D591-R593 WeakPolarHBondContact OD1-CA 3.47Å; D591-R593 WeakPolarHBondContact OD1-CB 3.46Å; D591-R593 PolarHBondContact OD1-N 3.27Å; D591-A594 HydrophobicContact CB-CB 4.35Å; D591-A594 WeakPolarHBondContact O-CB 3.43Å; D591-A594 PolarHBondContact O-N 3.39Å; D591-A594 VanDerWaalsContact O-N 3.11Å; D591-A594 PolarHBondContact OD2-N 3.05Å
592R74.3Confident74Confident135 Ų135125.8 Ų125.851%0.50964%0.635SS.*THydrogen-bonded Turntrans-66.1-3.5175.6-60.8174.3-177.696.6-4113.1D589 Y590D589-R592 IonicContact OD1-CZ 2.98Å; D589-R592 IonicContact OD1-NH1 2.66Å; D589-R592 PolarHBondContact OD1-NH1 3.34Å; D589-R592 IonicContact OD1-NH2 3.91Å; Y590-R592 HydrophobicContact CD2-CG 4.02Å; Y590-R592 HydrophobicContact CE2-CG 3.6Å; Y590-R592 PolarHBondContact O-N 3.5Å
593R73.1Confident75.3Confident224 Ų224123.8 Ų123.885%0.84563%0.632SS**THydrogen-bonded Turntrans-104.9-6.4174.6-58.3172.9149.8-128-2.7114.6D591D591-R593 PolarHBondContact O-N 3.2Å; D591-R593 WeakPolarHBondContact OD1-CA 3.47Å; D591-R593 WeakPolarHBondContact OD1-CB 3.46Å; D591-R593 PolarHBondContact OD1-N 3.27Å
594A71.9Confident76.4Confident51 Ų51118 Ų11842%0.42162%0.617SS.*SBendtrans-56.2163.6176.300000112.5D591 K596D591-A594 HydrophobicContact CB-CB 4.35Å; D591-A594 WeakPolarHBondContact O-CB 3.43Å; D591-A594 PolarHBondContact O-N 3.39Å; D591-A594 VanDerWaalsContact O-N 3.11Å; D591-A594 PolarHBondContact OD2-N 3.05Å; A594-K596 WeakPolarHBondContact O-CG 3.46Å; A594-K596 PolarHBondContact O-N 3.31Å
595D74.4Confident77.7Confident104 Ų104114.2 Ų114.256%0.55659%0.591SS**  trans-56.9141.4176.8-166.57.5000110.1P597 R600D595-P597 WeakPolarHBondContact O-CD 3.22Å; D595-R600 VanDerWaalsContact OD2-CD 3.28Å; D595-R600 WeakPolarHBondContact OD2-CD 3.35Å; D595-R600 IonicContact OD2-CZ 3.83Å; D595-R600 IonicContact OD2-NH1 3.92Å; D595-R600 PolarHBondContact OD2-NH1 3.42Å
596K79.2Confident78.8Confident85 Ų85114.8 Ų114.837%0.3758%0.579SS.*  trans-109.588-169.9-67.1176.8-179.31720106.4A594 W598 T599A594-K596 WeakPolarHBondContact O-CG 3.46Å; A594-K596 PolarHBondContact O-N 3.31Å; K596-W598 HydrophobicContact CB-CD2 3.98Å; K596-W598 HydrophobicContact CB-CE3 4.14Å; K596-W598 HydrophobicContact CB-CH2 3.9Å; K596-W598 HydrophobicContact CB-CZ2 3.72Å; K596-W598 HydrophobicContact CB-CZ3 4.09Å; K596-W598 HydrophobicContact CD-CH2 4.17Å; K596-W598 HydrophobicContact CD-CZ2 3.72Å; K596-W598 HydrophobicContact CG-CH2 3.67Å; K596-W598 HydrophobicContact CG-CZ2 3.63Å; K596-W598 HydrophobicContact CG-CZ3 4.25Å; K596-W598 PolarHBondContact O-N 2.93Å; K596-T599 HydrophobicContact CB-CG2 3.72Å; K596-T599 WeakPolarHBondContact O-CB 3.42Å; K596-T599 PolarHBondContact O-N 2.87Å; K596-T599 PolarHBondContact O-OG1 3.21Å
597P73.9Confident79.9Confident90 Ų90106.8 Ų106.858%0.58455%0.547SS*.Hα-helixtrans-55.9-29.8-170.518.4-31.6000112.7D595 T599 R600 L601D595-P597 WeakPolarHBondContact O-CD 3.22Å; P597-T599 PolarHBondContact O-N 2.75Å; P597-R600 PolarHBondContact O-N 3Å; P597-L601 PolarHBondContact O-N 3.34Å
598W74.1Confident80.8Confident167 Ų167106 Ų10663%0.63354%0.54SS*.Hα-helixtrans-61.8-22.1174.46788.9000115.2K596 L601K596-W598 HydrophobicContact CB-CD2 3.98Å; K596-W598 HydrophobicContact CB-CE3 4.14Å; K596-W598 HydrophobicContact CB-CH2 3.9Å; K596-W598 HydrophobicContact CB-CZ2 3.72Å; K596-W598 HydrophobicContact CB-CZ3 4.09Å; K596-W598 HydrophobicContact CD-CH2 4.17Å; K596-W598 HydrophobicContact CD-CZ2 3.72Å; K596-W598 HydrophobicContact CG-CH2 3.67Å; K596-W598 HydrophobicContact CG-CZ2 3.63Å; K596-W598 HydrophobicContact CG-CZ3 4.25Å; K596-W598 PolarHBondContact O-N 2.93Å; W598-L601 HydrophobicContact CB-CD1 4.11Å
599T77.9Confident81.8Confident87 Ų87100.5 Ų100.553%0.53452%0.516SS..Hα-helixtrans-75.7-26.5173.166.80000112.2K596 P597K596-T599 HydrophobicContact CB-CG2 3.72Å; K596-T599 WeakPolarHBondContact O-CB 3.42Å; K596-T599 PolarHBondContact O-N 2.87Å; K596-T599 PolarHBondContact O-OG1 3.21Å; P597-T599 PolarHBondContact O-N 2.75Å
600R82.9Confident82.7Confident182 Ų18297.3 Ų97.369%0.68749%0.493SS*.Hα-helixtrans-91-11.4-178-60.4179.564.9152.81.7114D595 P597 T602D595-R600 VanDerWaalsContact OD2-CD 3.28Å; D595-R600 WeakPolarHBondContact OD2-CD 3.35Å; D595-R600 IonicContact OD2-CZ 3.83Å; D595-R600 IonicContact OD2-NH1 3.92Å; D595-R600 PolarHBondContact OD2-NH1 3.42Å; P597-R600 PolarHBondContact O-N 3Å; R600-T602 PolarHBondContact O-N 2.95Å
601L86.6Confident83.7Confident50 Ų5096 Ų9626%0.26249%0.49SS..  trans-50.3128.4176.1-70.5168.9000111.6P597 W598 D605 K606 I609P597-L601 PolarHBondContact O-N 3.34Å; W598-L601 HydrophobicContact CB-CD1 4.11Å; L601-D605 WeakPolarHBondContact CA-OD2 3.08Å; L601-D605 HydrophobicContact CB-CB 4.24Å; L601-D605 HydrophobicContact CD2-CB 3.62Å; L601-K606 HydrophobicContact CB-CD 4.35Å; L601-K606 HydrophobicContact CB-CG 4.02Å; L601-K606 WeakPolarHBondContact O-CE 3.19Å; L601-K606 PolarHBondContact O-NZ 3.14Å; L601-I609 HydrophobicContact CD1-CD1 3.86Å; L601-I609 HydrophobicContact CD2-CD1 3.88Å
602T89.1Confident84.6Confident72 Ų7297.1 Ų97.144%0.44249%0.492SS..  trans-69.1172.2174.976.10000111.5R600 A604 D605 K606R600-T602 PolarHBondContact O-N 2.95Å; T602-A604 PolarHBondContact O-N 3.39Å; T602-A604 PolarHBondContact OG1-N 3.12Å; T602-D605 WeakPolarHBondContact CB-OD2 3.13Å; T602-D605 WeakPolarHBondContact CG2-OD2 3.31Å; T602-D605 PolarHBondContact N-OD2 3.48Å; T602-D605 PolarHBondContact OG1-N 3.21Å; T602-D605 VanDerWaalsContact OG1-N 3.11Å; T602-D605 PolarHBondContact OG1-OD1 2.89Å; T602-D605 PolarHBondContact OG1-OD2 2.94Å; T602-D605 VanDerWaalsContact OG1-OD2 3.07Å; T602-K606 WeakPolarHBondContact O-CB 3.28Å; T602-K606 WeakPolarHBondContact O-CD 3.23Å; T602-K606 WeakPolarHBondContact O-CG 3.13Å; T602-K606 PolarHBondContact O-N 2.9Å; T602-K606 VanDerWaalsContact O-N 3.08Å
603A89.8Confident85.5Confident85 Ų8594.3 Ų94.370%0.70249%0.487SS*.THydrogen-bonded Turntrans-63.6-30.7171.200000112.3A607A603-A607 PolarHBondContact O-N 3.36Å; A603-A607 VanDerWaalsContact O-N 3.13Å
604A90.4Very high86.5Confident67 Ų6785 Ų8555%0.55446%0.455SS*.THydrogen-bonded Turntrans-70.2-48.2176.500000111T602 K606 A607 A608T602-A604 PolarHBondContact O-N 3.39Å; T602-A604 PolarHBondContact OG1-N 3.12Å; A604-K606 VanDerWaalsContact C-N 3.29Å; A604-K606 PolarHBondContact O-N 2.67Å; A604-A607 CarbonylContact O-C 3.56Å; A604-A607 WeakPolarHBondContact O-CA 3.36Å; A604-A607 WeakPolarHBondContact O-CB 3.45Å; A604-A607 PolarHBondContact O-N 2.67Å; A604-A608 PolarHBondContact O-N 3.24Å
605D92.1Very high87.5Confident62 Ų6287 Ų8733%0.33246%0.455SS..Hα-helixtrans-61.7-41.2178.6-37.5-26.6000110.4L601 T602 A607 A608 I609L601-D605 WeakPolarHBondContact CA-OD2 3.08Å; L601-D605 HydrophobicContact CB-CB 4.24Å; L601-D605 HydrophobicContact CD2-CB 3.62Å; T602-D605 WeakPolarHBondContact CB-OD2 3.13Å; T602-D605 WeakPolarHBondContact CG2-OD2 3.31Å; T602-D605 PolarHBondContact N-OD2 3.48Å; T602-D605 PolarHBondContact OG1-N 3.21Å; T602-D605 VanDerWaalsContact OG1-N 3.11Å; T602-D605 PolarHBondContact OG1-OD1 2.89Å; T602-D605 PolarHBondContact OG1-OD2 2.94Å; T602-D605 VanDerWaalsContact OG1-OD2 3.07Å; D605-A607 PolarHBondContact O-N 3.34Å; D605-A608 PolarHBondContact O-N 3.49Å; D605-I609 WeakPolarHBondContact O-CB 3.45Å; D605-I609 WeakPolarHBondContact O-CD1 3.13Å; D605-I609 VanDerWaalsContact O-CG1 3.27Å; D605-I609 WeakPolarHBondContact O-CG1 3.22Å; D605-I609 PolarHBondContact O-N 3.4Å
606K91.6Very high88.3Confident96 Ų9686.6 Ų86.642%0.41745%0.448SS..Hα-helixtrans-65.1-19.4173.2-75164.5175.9141.90113.4L601 T602 A604 R610L601-K606 HydrophobicContact CB-CD 4.35Å; L601-K606 HydrophobicContact CB-CG 4.02Å; L601-K606 WeakPolarHBondContact O-CE 3.19Å; L601-K606 PolarHBondContact O-NZ 3.14Å; T602-K606 WeakPolarHBondContact O-CB 3.28Å; T602-K606 WeakPolarHBondContact O-CD 3.23Å; T602-K606 WeakPolarHBondContact O-CG 3.13Å; T602-K606 PolarHBondContact O-N 2.9Å; T602-K606 VanDerWaalsContact O-N 3.08Å; A604-K606 VanDerWaalsContact C-N 3.29Å; A604-K606 PolarHBondContact O-N 2.67Å; K606-R610 WeakPolarHBondContact O-CD 3.16Å; K606-R610 VanDerWaalsContact O-CG 3.24Å; K606-R610 WeakPolarHBondContact O-CG 3.36Å; K606-R610 PolarHBondContact O-NE 3.45Å
607A90.8Very high88.8Confident34 Ų3484.7 Ų84.728%0.28144%0.44SS..Hα-helixtrans-87-43.6170.700000111.6A603 A604 D605 R610 K611A603-A607 PolarHBondContact O-N 3.36Å; A603-A607 VanDerWaalsContact O-N 3.13Å; A604-A607 CarbonylContact O-C 3.56Å; A604-A607 WeakPolarHBondContact O-CA 3.36Å; A604-A607 WeakPolarHBondContact O-CB 3.45Å; A604-A607 PolarHBondContact O-N 2.67Å; D605-A607 PolarHBondContact O-N 3.34Å; A607-R610 PolarHBondContact O-N 3.31Å; A607-R610 VanDerWaalsContact O-N 3.17Å; A607-K611 PolarHBondContact O-N 3.21Å
608A92.4Very high89.4Confident56 Ų5682.9 Ų82.946%0.46343%0.43SS..Hα-helixtrans-56.6-52.4174.800000111.5A604 D605 R610 K611 E612A604-A608 PolarHBondContact O-N 3.24Å; D605-A608 PolarHBondContact O-N 3.49Å; A608-R610 VanDerWaalsContact C-N 3.26Å; A608-R610 PolarHBondContact O-N 3.04Å; A608-K611 WeakPolarHBondContact O-CA 3.25Å; A608-K611 WeakPolarHBondContact O-CB 3.4Å; A608-K611 PolarHBondContact O-N 3.07Å; A608-E612 WeakPolarHBondContact O-CB 3.47Å; A608-E612 PolarHBondContact O-N 3.19Å
609I91.3Very high89.9Confident61 Ų6180.4 Ų80.431%0.31343%0.433SS..Hα-helixtrans-60.6-34.4177.4-65.7163.6000111.4L601 D605 L613L601-I609 HydrophobicContact CD1-CD1 3.86Å; L601-I609 HydrophobicContact CD2-CD1 3.88Å; D605-I609 WeakPolarHBondContact O-CB 3.45Å; D605-I609 WeakPolarHBondContact O-CD1 3.13Å; D605-I609 VanDerWaalsContact O-CG1 3.27Å; D605-I609 WeakPolarHBondContact O-CG1 3.22Å; D605-I609 PolarHBondContact O-N 3.4Å; I609-L613 HydrophobicContact CG2-CD1 3.81Å; I609-L613 HydrophobicContact CG2-CG 4.28Å; I609-L613 WeakPolarHBondContact O-CB 3.48Å; I609-L613 WeakPolarHBondContact O-CD1 3.29Å; I609-L613 WeakPolarHBondContact O-CG 3.49Å; I609-L613 PolarHBondContact O-N 2.95Å
610R93.4Very high90.4Very high77 Ų7782.9 Ų82.929%0.29144%0.438SS..Hα-helixtrans-70.8-33.8174-79-177.7-60.4136.58112.8K606 A607 A608 N614 H634 R635 P636K606-R610 WeakPolarHBondContact O-CD 3.16Å; K606-R610 VanDerWaalsContact O-CG 3.24Å; K606-R610 WeakPolarHBondContact O-CG 3.36Å; K606-R610 PolarHBondContact O-NE 3.45Å; A607-R610 PolarHBondContact O-N 3.31Å; A607-R610 VanDerWaalsContact O-N 3.17Å; A608-R610 VanDerWaalsContact C-N 3.26Å; A608-R610 PolarHBondContact O-N 3.04Å; R610-N614 WeakPolarHBondContact O-CB 3.34Å; R610-N614 PolarHBondContact O-N 2.9Å; R610-N614 PolarHBondContact O-ND2 3.19Å; R610-H634 HydrophobicContact CB-CB 4.1Å; R610-H634 HydrophobicContact CG-CB 3.99Å; R610-R635 PolarHBondContact NH1-O 3.12Å; R610-P636 PolarHBondContact NH1-O 2.82Å; R610-P636 PolarHBondContact NH1-OXT 3.46Å; R610-P636 PolarHBondContact NH2-OXT 3.13Å
611K93.7Very high90.4Very high127 Ų12778 Ų7855%0.55242%0.424SS*.Hα-helixtrans-67.9-52.6173.3-174.9-168.8176.5-89.80110A607 A608 L613 N614 E615A607-K611 PolarHBondContact O-N 3.21Å; A608-K611 WeakPolarHBondContact O-CA 3.25Å; A608-K611 WeakPolarHBondContact O-CB 3.4Å; A608-K611 PolarHBondContact O-N 3.07Å; K611-L613 PolarHBondContact O-N 3.38Å; K611-N614 CarbonylContact O-C 3.55Å; K611-N614 WeakPolarHBondContact O-CA 3.43Å; K611-N614 WeakPolarHBondContact O-CB 3.45Å; K611-N614 PolarHBondContact O-N 3.48Å; K611-E615 VanDerWaalsContact NZ-CD 3.34Å; K611-E615 IonicContact NZ-OE1 2.73Å; K611-E615 PolarHBondContact NZ-OE1 3.5Å; K611-E615 IonicContact NZ-OE2 3.21Å; K611-E615 PolarHBondContact NZ-OE2 2.66Å; K611-E615 WeakPolarHBondContact O-CB 3.37Å; K611-E615 PolarHBondContact O-N 2.83Å
612E94.3Very high90.3Very high127 Ų12784.9 Ų84.959%0.59346%0.455SS*.Hα-helixtrans-56.3-48.4178.9-174.3-178.2-176.200111.8A608 N614 E615 F616A608-E612 WeakPolarHBondContact O-CB 3.47Å; A608-E612 PolarHBondContact O-N 3.19Å; E612-N614 PolarHBondContact O-N 2.95Å; E612-E615 PolarHBondContact O-N 3.35Å; E612-F616 WeakPolarHBondContact O-CB 3.15Å; E612-F616 PolarHBondContact O-N 2.95Å
613L93.5Very high90.1Very high76 Ų7683.6 Ų83.640%0.39845%0.447SS..Hα-helixtrans-65.7-17.5174-73.1172.7000114.3I609 K611 K617I609-L613 HydrophobicContact CG2-CD1 3.81Å; I609-L613 HydrophobicContact CG2-CG 4.28Å; I609-L613 WeakPolarHBondContact O-CB 3.48Å; I609-L613 WeakPolarHBondContact O-CD1 3.29Å; I609-L613 WeakPolarHBondContact O-CG 3.49Å; I609-L613 PolarHBondContact O-N 2.95Å; K611-L613 PolarHBondContact O-N 3.38Å; L613-K617 WeakPolarHBondContact O-CB 3.4Å; L613-K617 WeakPolarHBondContact O-CD 3.18Å; L613-K617 WeakPolarHBondContact O-CE 3.43Å; L613-K617 WeakPolarHBondContact O-CG 3.42Å
614N93Very high90Very high30 Ų3086.5 Ų86.516%0.1645%0.446CS..Hα-helixtrans-87.4-38.4172-79.3-10.5000111.6R610 K611 E612 K617 S618 F633 H634R610-N614 WeakPolarHBondContact O-CB 3.34Å; R610-N614 PolarHBondContact O-N 2.9Å; R610-N614 PolarHBondContact O-ND2 3.19Å; K611-N614 CarbonylContact O-C 3.55Å; K611-N614 WeakPolarHBondContact O-CA 3.43Å; K611-N614 WeakPolarHBondContact O-CB 3.45Å; K611-N614 PolarHBondContact O-N 3.48Å; E612-N614 PolarHBondContact O-N 2.95Å; N614-K617 PolarHBondContact O-N 3.4Å; N614-S618 PolarHBondContact O-N 3.32Å; N614-S618 VanDerWaalsContact O-N 3.14Å; N614-S618 PolarHBondContact O-OG 2.85Å; N614-F633 HydrophobicContact CB-CD1 3.95Å; N614-F633 WeakPolarHBondContact O-CE1 3.49Å; N614-F633 WeakPolarHBondContact OD1-CA 3.35Å; N614-F633 WeakPolarHBondContact OD1-CB 3.37Å; N614-H634 PolarHBondContact ND2-O 3.38Å; N614-H634 PolarHBondContact OD1-CD2 3.09Å; N614-H634 PolarHBondContact OD1-N 3.29Å
615E92.5Very high89.8Confident92 Ų9289.5 Ų89.543%0.4345%0.448SS..Hα-helixtrans-63-54.1177-159151-153.700109.3K611 E612 K617 S618 T619K611-E615 VanDerWaalsContact NZ-CD 3.34Å; K611-E615 IonicContact NZ-OE1 2.73Å; K611-E615 PolarHBondContact NZ-OE1 3.5Å; K611-E615 IonicContact NZ-OE2 3.21Å; K611-E615 PolarHBondContact NZ-OE2 2.66Å; K611-E615 WeakPolarHBondContact O-CB 3.37Å; K611-E615 PolarHBondContact O-N 2.83Å; E612-E615 PolarHBondContact O-N 3.35Å; E615-K617 VanDerWaalsContact C-N 3.29Å; E615-K617 PolarHBondContact O-N 3.35Å; E615-S618 PolarHBondContact O-N 2.89Å; E615-S618 PolarHBondContact O-OG 3.08Å; E615-T619 PolarHBondContact O-N 2.86Å; E615-T619 PolarHBondContact O-OG1 3.43Å
616F91.4Very high89.6Confident95 Ų9590.2 Ų90.242%0.41746%0.458SS..Hα-helixtrans-51.5-44172.3-175.3-89.9000113E612 S618 E620 M621E612-F616 WeakPolarHBondContact O-CB 3.15Å; E612-F616 PolarHBondContact O-N 2.95Å; F616-S618 VanDerWaalsContact C-N 3.25Å; F616-S618 PolarHBondContact O-N 2.8Å; F616-E620 HydrophobicContact CD2-CB 3.86Å; F616-E620 HydrophobicContact CD2-CG 4.02Å; F616-E620 VanDerWaalsContact CD2-OE2 3.28Å; F616-E620 WeakPolarHBondContact CD2-OE2 3.28Å; F616-E620 HydrophobicContact CE2-CB 4.06Å; F616-E620 HydrophobicContact CE2-CG 3.78Å; F616-E620 WeakPolarHBondContact CE2-OE1 3.28Å; F616-E620 HydrophobicContact CG-CB 4.36Å; F616-E620 PolarHBondContact O-N 2.83Å; F616-M621 HydrophobicContact CD1-CB 4.18Å; F616-M621 HydrophobicContact CE1-CB 3.97Å; F616-M621 PolarHBondContact O-N 2.86Å
617K90.9Very high89.5Confident46 Ų4688 Ų8820%0.246%0.455CS..Hα-helixtrans-69.2-14.8177.3-78.1176-166.8168.50114.9L613 N614 E615 M621 T631 R632 F633 H634L613-K617 WeakPolarHBondContact O-CB 3.4Å; L613-K617 WeakPolarHBondContact O-CD 3.18Å; L613-K617 WeakPolarHBondContact O-CE 3.43Å; L613-K617 WeakPolarHBondContact O-CG 3.42Å; N614-K617 PolarHBondContact O-N 3.4Å; E615-K617 VanDerWaalsContact C-N 3.29Å; E615-K617 PolarHBondContact O-N 3.35Å; K617-M621 HydrophobicContact CB-CE 4.23Å; K617-M621 HydrophobicContact CG-CE 3.94Å; K617-M621 HydrophobicContact CG-SD 4.46Å; K617-T631 HydrophobicContact CB-CG2 4.07Å; K617-T631 HydrophobicContact CD-CG2 4.36Å; K617-T631 HydrophobicContact CG-CG2 4.47Å; K617-R632 PolarHBondContact NZ-O 2.81Å; K617-F633 HydrophobicContact CB-CD1 4.18Å; K617-F633 HydrophobicContact CB-CE1 3.63Å; K617-F633 HydrophobicContact CB-CZ 4.42Å; K617-F633 HydrophobicContact CD-CD1 4.48Å; K617-H634 PolarHBondContact NZ-CD2 3.48Å; K617-H634 VanDerWaalsContact NZ-CD2 3.33Å; K617-H634 PolarHBondContact NZ-NE2 3.18Å
618S86Confident89.3Confident52 Ų5292.1 Ų92.136%0.36446%0.463SS..Hα-helixtrans-108.1-26.1-17867.70000113.5N614 E615 F616 R628N614-S618 PolarHBondContact O-N 3.32Å; N614-S618 VanDerWaalsContact O-N 3.14Å; N614-S618 PolarHBondContact O-OG 2.85Å; E615-S618 PolarHBondContact O-N 2.89Å; E615-S618 PolarHBondContact O-OG 3.08Å; F616-S618 VanDerWaalsContact C-N 3.25Å; F616-S618 PolarHBondContact O-N 2.8Å; S618-R628 PolarHBondContact O-NH2 2.87Å
619T85.3Confident89Confident114 Ų11496.6 Ų96.670%0.69947%0.474SS*.Hα-helixtrans-115.8-33.3-175.659.10000115.5E615E615-T619 PolarHBondContact O-N 2.86Å; E615-T619 PolarHBondContact O-OG1 3.43Å
620E86.9Confident88.9Confident139 Ų13999.6 Ų99.665%0.6549%0.49SS*.THydrogen-bonded Turntrans-114.3-35.4-167-168174.5163.300113.2F616 E622F616-E620 HydrophobicContact CD2-CB 3.86Å; F616-E620 HydrophobicContact CD2-CG 4.02Å; F616-E620 VanDerWaalsContact CD2-OE2 3.28Å; F616-E620 WeakPolarHBondContact CD2-OE2 3.28Å; F616-E620 HydrophobicContact CE2-CB 4.06Å; F616-E620 HydrophobicContact CE2-CG 3.78Å; F616-E620 WeakPolarHBondContact CE2-OE1 3.28Å; F616-E620 HydrophobicContact CG-CB 4.36Å; F616-E620 PolarHBondContact O-N 2.83Å; E620-E622 PolarHBondContact O-N 3.45Å; E620-E622 VanDerWaalsContact O-N 3.14Å
621M83Confident88.6Confident79 Ų7997.1 Ų97.139%0.38948%0.484SS..SBendtrans-7797.4172.8-171179.974.500110.1F616 K617 V623 T631F616-M621 HydrophobicContact CD1-CB 4.18Å; F616-M621 HydrophobicContact CE1-CB 3.97Å; F616-M621 PolarHBondContact O-N 2.86Å; K617-M621 HydrophobicContact CB-CE 4.23Å; K617-M621 HydrophobicContact CG-CE 3.94Å; K617-M621 HydrophobicContact CG-SD 4.46Å; M621-V623 HydrophobicContact CE-CG2 3.73Å; M621-V623 HydrophobicContact CG-CG2 4.34Å; M621-V623 PolarHBondContact O-N 2.99Å; M621-T631 HydrophobicContact CE-CG2 4.08Å
622E84.4Confident88.6Confident196 Ų196101.5 Ų101.592%0.91650%0.497SS*.  trans-62.5121.8175.8-170.8173.3-156.800111.1E620E620-E622 PolarHBondContact O-N 3.45Å; E620-E622 VanDerWaalsContact O-N 3.14Å
623V85.8Confident88.4Confident44 Ų44100 Ų10027%0.26749%0.488SS..  trans-129.3129.2177.6178.60000108.3M621 E625M621-V623 HydrophobicContact CE-CG2 3.73Å; M621-V623 HydrophobicContact CG-CG2 4.34Å; M621-V623 PolarHBondContact O-N 2.99Å; V623-E625 PolarHBondContact O-N 2.75Å
624H86.4Confident88.3Confident146 Ų146100 Ų10068%0.67649%0.486SS*.  trans-51.5129.2177.6-170.8-89.4000111.2S626 S627 R628H624-S626 VanDerWaalsContact C-N 3.29Å; H624-S626 PolarHBondContact CE1-OG 3.38Å; H624-S626 PolarHBondContact ND1-OG 3.26Å; H624-S626 PolarHBondContact O-N 3.36Å; H624-S626 VanDerWaalsContact O-N 3.11Å; H624-S627 WeakPolarHBondContact O-CA 3.35Å; H624-S627 WeakPolarHBondContact O-CB 3.26Å; H624-S627 PolarHBondContact O-N 3.23Å; H624-R628 PolarHBondContact O-N 3.29Å
625E86.6Confident87.9Confident130 Ų130109 Ų10961%0.60752%0.518SS*.G310 helixtrans-56.2-39.2-163-170.860.9-158.900113.2V623 S627 R628V623-E625 PolarHBondContact O-N 2.75Å; E625-S627 PolarHBondContact O-N 3.2Å; E625-R628 WeakPolarHBondContact O-CB 3.3Å; E625-R628 PolarHBondContact O-N 3.45Å; E625-R628 IonicContact OE1-NH1 2.87Å; E625-R628 VanDerWaalsContact OE2-CD 3.28Å; E625-R628 WeakPolarHBondContact OE2-CD 3.34Å; E625-R628 IonicContact OE2-CZ 2.66Å; E625-R628 IonicContact OE2-NH1 3.83Å; E625-R628 PolarHBondContact OE2-NH1 3.35Å
626S88.3Confident86.7Confident77 Ų77111.8 Ų111.854%0.53854%0.544SS..G310 helixtrans-61.5-24.1175.762.80000114.5H624 H629H624-S626 VanDerWaalsContact C-N 3.29Å; H624-S626 PolarHBondContact CE1-OG 3.38Å; H624-S626 PolarHBondContact ND1-OG 3.26Å; H624-S626 PolarHBondContact O-N 3.36Å; H624-S626 VanDerWaalsContact O-N 3.11Å; S626-H629 PolarHBondContact O-CE1 3.36Å; S626-H629 PolarHBondContact O-ND1 3.4Å
627S89.2Confident86.5Confident49 Ų49112.6 Ų112.634%0.34355%0.55SS.*G310 helixtrans-99.6-9.6179.9-61.90000113.3H624 E625 H629 L630H624-S627 WeakPolarHBondContact O-CA 3.35Å; H624-S627 WeakPolarHBondContact O-CB 3.26Å; H624-S627 PolarHBondContact O-N 3.23Å; E625-S627 PolarHBondContact O-N 3.2Å; S627-H629 PolarHBondContact O-N 3.04Å; S627-H629 VanDerWaalsContact O-N 3.11Å; S627-L630 WeakPolarHBondContact O-CB 3.41Å; S627-L630 PolarHBondContact O-N 2.96Å
628R86.8Confident86.3Confident122 Ų122116.1 Ų116.146%0.4657%0.568SS.*G310 helixtrans-56.4-31.2-174.9-166.2173.6-169.1164.84.7113.5S618 H624 E625 L630 T631S618-R628 PolarHBondContact O-NH2 2.87Å; H624-R628 PolarHBondContact O-N 3.29Å; E625-R628 WeakPolarHBondContact O-CB 3.3Å; E625-R628 PolarHBondContact O-N 3.45Å; E625-R628 IonicContact OE1-NH1 2.87Å; E625-R628 VanDerWaalsContact OE2-CD 3.28Å; E625-R628 WeakPolarHBondContact OE2-CD 3.34Å; E625-R628 IonicContact OE2-CZ 2.66Å; E625-R628 IonicContact OE2-NH1 3.83Å; E625-R628 PolarHBondContact OE2-NH1 3.35Å; R628-L630 PolarHBondContact O-N 3.35Å; R628-T631 WeakPolarHBondContact O-CB 3.39Å; R628-T631 PolarHBondContact O-N 3.32Å; R628-T631 PolarHBondContact O-OG1 2.65Å
629H85.2Confident86.3Confident150 Ų150119.7 Ų119.769%0.69458%0.58SS**G310 helixtrans-66.4-13.9176.374.4-89.3000114.6S626 S627S626-H629 PolarHBondContact O-CE1 3.36Å; S626-H629 PolarHBondContact O-ND1 3.4Å; S627-H629 PolarHBondContact O-N 3.04Å; S627-H629 VanDerWaalsContact O-N 3.11Å
630L89.6Confident86.3Confident123 Ų123120 Ų12064%0.64457%0.573SS**G310 helixtrans-88.2-9176.2-57.9173.9000112.8S627 R628 R632S627-L630 WeakPolarHBondContact O-CB 3.41Å; S627-L630 PolarHBondContact O-N 2.96Å; R628-L630 PolarHBondContact O-N 3.35Å; L630-R632 PolarHBondContact O-N 2.83Å; L630-R632 VanDerWaalsContact O-N 3.16Å
631T88.7Confident86.3Confident26 Ų26118.8 Ų118.816%0.1657%0.568CS.*  trans-66.1112.7-177.9-59.40000111.2K617 M621 R628 F633K617-T631 HydrophobicContact CB-CG2 4.07Å; K617-T631 HydrophobicContact CD-CG2 4.36Å; K617-T631 HydrophobicContact CG-CG2 4.47Å; M621-T631 HydrophobicContact CE-CG2 4.08Å; R628-T631 WeakPolarHBondContact O-CB 3.39Å; R628-T631 PolarHBondContact O-N 3.32Å; R628-T631 PolarHBondContact O-OG1 2.65Å; T631-F633 HydrophobicContact CG2-CE1 4.12Å; T631-F633 HydrophobicContact CG2-CE2 3.85Å; T631-F633 HydrophobicContact CG2-CZ 3.62Å; T631-F633 VanDerWaalsContact O-CD2 3.23Å; T631-F633 WeakPolarHBondContact O-CD2 3.36Å; T631-F633 WeakPolarHBondContact O-CE2 3.36Å; T631-F633 PolarHBondContact O-N 2.62Å
632R92Very high86.5Confident218 Ų218121.5 Ų121.582%0.82358%0.58SS**  trans-86.6102.2-177.5-174.9174.3167.5-174.5-5.4112.1K617 L630K617-R632 PolarHBondContact NZ-O 2.81Å; L630-R632 PolarHBondContact O-N 2.83Å; L630-R632 VanDerWaalsContact O-N 3.16Å
633F91.6Very high86.7Confident96 Ų96116.1 Ų116.142%0.42156%0.556SS.*PPolyproline II helixtrans-74.3151.7170-60.1-78.8000112.2N614 K617 T631N614-F633 HydrophobicContact CB-CD1 3.95Å; N614-F633 WeakPolarHBondContact O-CE1 3.49Å; N614-F633 WeakPolarHBondContact OD1-CA 3.35Å; N614-F633 WeakPolarHBondContact OD1-CB 3.37Å; K617-F633 HydrophobicContact CB-CD1 4.18Å; K617-F633 HydrophobicContact CB-CE1 3.63Å; K617-F633 HydrophobicContact CB-CZ 4.42Å; K617-F633 HydrophobicContact CD-CD1 4.48Å; T631-F633 HydrophobicContact CG2-CE1 4.12Å; T631-F633 HydrophobicContact CG2-CE2 3.85Å; T631-F633 HydrophobicContact CG2-CZ 3.62Å; T631-F633 VanDerWaalsContact O-CD2 3.23Å; T631-F633 WeakPolarHBondContact O-CD2 3.36Å; T631-F633 WeakPolarHBondContact O-CE2 3.36Å; T631-F633 PolarHBondContact O-N 2.62Å
634H90.6Very high86.7Confident77 Ų77121.7 Ų121.736%0.35658%0.578SS.*PPolyproline II helixtrans-74.9150.8166.6-58.9-86.6000109.3R610 N614 K617R610-H634 HydrophobicContact CB-CB 4.1Å; R610-H634 HydrophobicContact CG-CB 3.99Å; N614-H634 PolarHBondContact ND2-O 3.38Å; N614-H634 PolarHBondContact OD1-CD2 3.09Å; N614-H634 PolarHBondContact OD1-N 3.29Å; K617-H634 PolarHBondContact NZ-CD2 3.48Å; K617-H634 VanDerWaalsContact NZ-CD2 3.33Å; K617-H634 PolarHBondContact NZ-NE2 3.18Å
635R85.1Confident86.8Confident219 Ų219119.7 Ų119.783%0.82657%0.57SS**PPolyproline II helixtrans-68.8148.8167.3-67.3-177.9177.7178-2109.5R610R610-R635 PolarHBondContact NH1-O 3.12Å
636P67.4Low86.8Confident149 Ų149118.7 Ų118.797%0.96857%0.567SS**  trans-49.70164.1-26.335.9000112.8R610R610-P636 PolarHBondContact NH1-O 2.82Å; R610-P636 PolarHBondContact NH1-OXT 3.46Å; R610-P636 PolarHBondContact NH2-OXT 3.13Å

Retrieved 636 of 636 residues in 118.6 ms (Link to these results)