A0A096NMH9_PAPAN Loading...

Zinc finger protein 771

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096NMH9, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF771, Length 363 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M29.1Very low33.8Very low221 Ų221127.9 Ų127.9100%1.08981%0.809SS**  0139.30-80.8173.1160.700107.7
2F31.8Very low34.2Very low207 Ų207128.2 Ų128.291%0.90881%0.812SS**  trans58.1165.8178.7-48.3-70.7000114.8
3G26.4Very low34.6Very low66 Ų66126.3 Ų126.368%0.6882%0.816SS**  cis-159.6162.6-7.500000109.7
4P39.8Very low34.8Very low115 Ų115129.5 Ų129.575%0.74782%0.821SS**  trans-94.4156.9-165.236.5-35.7000115
5M32.3Very low35.3Very low174 Ų174128.1 Ų128.186%0.85782%0.818SS**  trans-113.4117.3146.9-60.4-74.5177.700104.5
6T35.3Very low35.9Very low119 Ų119127.4 Ų127.473%0.7381%0.814SS**  47.9134.963.575.80000112.3
7G31.8Very low36.6Very low70 Ų70126.8 Ų126.872%0.72281%0.81SS**  cis134.342.3700000110.9
8S35.6Very low37Very low118 Ų118126.6 Ų126.683%0.82581%0.81SS**PPolyproline II helixtrans-72.4127.3-173.3-51.10000111
9P38.6Very low37.3Very low122 Ų122129.6 Ų129.679%0.79281%0.812SS**PPolyproline II helixtrans-74.2147.7178.330.8-34.8000111.5
10C35.8Very low37.6Very low131 Ų131129.2 Ų129.289%0.88581%0.811SS**PPolyproline II helixtrans-71.5134.6163.7-68.60000109.7
11G35.1Very low38Very low64 Ų64134 Ų13466%0.6681%0.814SS**PPolyproline II helixtrans-67.7172.1168.700000112.9
12P39.1Very low38.4Very low131 Ų131129.4 Ų129.485%0.85180%0.801SS**PPolyproline II helixtrans-65156.7-173.227.4-35.6000113.3L14P12-L14 PolarHBondContact O-N 2.87Å
13A38.7Very low38.8Very low104 Ų104127.4 Ų127.486%0.8680%0.799SS**PPolyproline II helixtrans-65.1122.6-178.500000111.9
14L37.3Very low39.2Very low171 Ų171130 Ų13090%0.89581%0.806SS**PPolyproline II helixtrans-74.6137160.1-75.3165.3000109P12P12-L14 PolarHBondContact O-N 2.87Å
15S42.4Very low39.3Very low109 Ų109130.7 Ų130.776%0.76281%0.808SS**PPolyproline II helixtrans-56.1147-179.7-52.70000112.3
16P45.3Very low39.6Very low117 Ų117128 Ų12876%0.7680%0.804SS**PPolyproline II helixtrans-62142.2175.527.1-34.7000110.9
17P48.4Very low39.7Very low116 Ų116129.9 Ų129.975%0.75381%0.809SS**PPolyproline II helixtrans-64.6150.3169.529.5-34.5000110.1
18P43.5Very low40.1Very low124 Ų124137.2 Ų137.281%0.80582%0.815SS**PPolyproline II helixtrans-62.8146-179.626.7-35000111.7
19E42.3Very low40.2Very low183 Ų183137.3 Ų137.386%0.85581%0.813SS**PPolyproline II helixtrans-61.8139.1-176.6-61.6-173.3123.300112.4R21E19-R21 PolarHBondContact O-N 3.13Å
20P42.7Very low40.3Very low122 Ų122135.6 Ų135.679%0.79281%0.809SS**PPolyproline II helixtrans-66.5121.6170.428.4-32.8000109.5
21R46.4Very low40.3Very low231 Ų231135.3 Ų135.387%0.87281%0.806SS**PPolyproline II helixtrans-53137.4178-65.6-179.1178.6-132.1-0.3110.6E19 L23E19-R21 PolarHBondContact O-N 3.13Å; R21-L23 PolarHBondContact O-N 3.09Å
22P38.8Very low40.4Very low124 Ų124143.9 Ų143.981%0.80582%0.818SS**PPolyproline II helixtrans-63.1122.4-179.625.6-33.9000110.5S24P22-S24 PolarHBondContact O-N 2.58Å
23L38.2Very low40.2Very low165 Ų165144 Ų14486%0.86482%0.819SS**PPolyproline II helixtrans-74.6117.8171.3-70.9173.7000109.2R21 V25R21-L23 PolarHBondContact O-N 3.09Å; L23-V25 PolarHBondContact O-N 3.46Å; L23-V25 VanDerWaalsContact O-N 3.15Å
24S35.7Very low39.9Very low120 Ų120142.7 Ų142.784%0.83982%0.815SS**  trans-58.2114.7-179.8-55.50000111.7P22P22-S24 PolarHBondContact O-N 2.58Å
25V41.4Very low39.5Very low130 Ų130139.3 Ų139.379%0.78881%0.812SS**PPolyproline II helixtrans-70.7128.2172.9-1760000108.7L23 N27L23-V25 PolarHBondContact O-N 3.46Å; L23-V25 VanDerWaalsContact O-N 3.15Å; V25-N27 PolarHBondContact O-N 3.06Å
26P39.4Very low39.1Very low117 Ų117140.1 Ų140.176%0.7682%0.815SS**PPolyproline II helixtrans-62127.1175.125.1-33.1000110R28P26-R28 PolarHBondContact O-N 3.26Å
27N36.3Very low39Very low159 Ų159143.7 Ų143.785%0.8582%0.821SS**PPolyproline II helixtrans-70.3131.2-165.3-160.7-7.4000111.8V25V25-N27 PolarHBondContact O-N 3.06Å
28R40.4Very low38.1Very low224 Ų224143 Ų14385%0.84583%0.826SS**PPolyproline II helixtrans-83.7119.9-179.2-172.7-177.2-174.8-161.41.8108.9P26 A30P26-R28 PolarHBondContact O-N 3.26Å; R28-A30 PolarHBondContact O-N 3.13Å
29P38.4Very low37.7Very low120 Ų120148 Ų14878%0.77983%0.828SS**PPolyproline II helixtrans-62.8133.4-176.124.6-33.5000111.5
30A40Very low37.4Very low85 Ų85147.4 Ų147.470%0.70283%0.831SS**PPolyproline II helixtrans-72150.5177.100000111.6R28R28-A30 PolarHBondContact O-N 3.13Å
31P36Very low36.9Very low126 Ų126148.6 Ų148.682%0.81883%0.83SS**PPolyproline II helixtrans-66.4134.8174.828.6-34.4000110.9
32R37.9Very low36.7Very low244 Ų244148.2 Ų148.292%0.92183%0.828SS**PPolyproline II helixtrans-79.8132.7172.9-69.7-178.1173.4-1321110.5
33P34.6Very low36.3Very low133 Ų133149.1 Ų149.186%0.86483%0.826SS**PPolyproline II helixtrans-83.3138.8166.633.2-31.8000110.7
34G31.9Very low36.2Very low77 Ų77148.2 Ų148.279%0.79482%0.822SS**  trans155.6110.2173.400000114.4
35A29.5Very low36.1Very low100 Ų100148.1 Ų148.183%0.82682%0.816SS**  trans2.1154.2153.400000121.1
36P33.7Very low35.9Very low126 Ų126151.4 Ų151.482%0.81882%0.82SS**  cis-123.6173.822.141-28.4000116.4A38P36-A38 PolarHBondContact O-N 3.17Å
37Q42.6Very low35.3Very low192 Ų192153.9 Ų153.990%0.89782%0.823SS**PPolyproline II helixtrans-74117.2177.8-63.2169.1-2.900110.9R39Q37-R39 PolarHBondContact O-N 3.02Å
38A31.4Very low35.4Very low102 Ų102151.6 Ų151.684%0.84382%0.817SS**PPolyproline II helixtrans-70.4122.1162.700000108.9P36P36-A38 PolarHBondContact O-N 3.17Å
39R34.8Very low35.3Very low228 Ų228144.5 Ų144.586%0.8681%0.814SS**PPolyproline II helixtrans-63.6141.7-176.3-75.2170.1156.8177.7-8.8111.8Q37 L41Q37-R39 PolarHBondContact O-N 3.02Å; R39-L41 PolarHBondContact O-N 2.82Å
40N35.8Very low35.1Very low170 Ų170148.1 Ų148.191%0.90982%0.821SS**  trans-62106.9159.1-77.3-44000109.3
41L31.3Very low34.9Very low147 Ų147152.7 Ų152.777%0.7783%0.828SS**  trans-107.3105161.2-85.3167000108.2R39 L43R39-L41 PolarHBondContact O-N 2.82Å; L41-L43 PolarHBondContact O-N 2.84Å
42R41.6Very low34.8Very low223 Ų223156.1 Ų156.184%0.84283%0.833SS**  trans-65.3126.3157.8-71.6179.7176.8146.8-4.4107.4
43L31.3Very low34.8Very low143 Ų143149 Ų14975%0.74983%0.826SS**  trans-129.190158.3-77.9177.8000108.1L41 T45L41-L43 PolarHBondContact O-N 2.84Å; L43-T45 VanDerWaalsContact C-N 3.31Å; L43-T45 PolarHBondContact O-N 2.66Å
44D37.3Very low34.9Very low147 Ų147151.7 Ų151.779%0.78683%0.827SS**  trans-68.686.1167.7-68.6-89.8000109.8
45T32.7Very low35.2Very low118 Ų118156.2 Ų156.272%0.72483%0.827SS**  trans-122.980.3167.952.40000110.9L43 M47L43-T45 VanDerWaalsContact C-N 3.31Å; L43-T45 PolarHBondContact O-N 2.66Å; T45-M47 PolarHBondContact O-N 3.39Å
46K36.4Very low35.4Very low198 Ų198161 Ų16186%0.86183%0.833SS**  trans-65.7117.6164.6173.6-174.2178.5-178.10109.3
47M27.8Very low35.5Very low169 Ų169163.4 Ų163.483%0.83383%0.833SS**  trans-123.6129.6162.2-80.1-60.7-65.300109.6T45T45-M47 PolarHBondContact O-N 3.39Å
48P37.3Very low35.2Very low111 Ų111161.1 Ų161.172%0.72182%0.823SS**  trans-88.7168.318037.1-35.6000111.8
49G39.5Very low35.4Very low76 Ų76164.2 Ų164.278%0.78482%0.819SS**  trans123.230.5160.600000118.2
50E33.6Very low35.7Very low196 Ų196162.8 Ų162.892%0.91682%0.822SS**SBendtrans-144.833.7168.4-124.3174.4-171.300113.2
51Q35.9Very low35.6Very low181 Ų181161.7 Ų161.785%0.84681%0.814SS**  trans-126.241.7-179.8-69.5-176.5-27.100112.3
52Q35.1Very low35.6Very low198 Ų198162.8 Ų162.893%0.92582%0.815SS**SBendtrans-139.367.6172.4-72.5-173.3-39.300109.3
53A37Very low35.2Very low95 Ų95161.7 Ų161.779%0.78582%0.819SS**SBendtrans-162.1-20.4179.600000115.7
54E35.9Very low35.1Very low188 Ų188163.6 Ų163.688%0.87982%0.824SS**SBendtrans-119.98.9-174.5-63.2-157.1155.800114.9
55E38.3Very low34.7Very low172 Ų172163.7 Ų163.780%0.80482%0.822SS**SBendtrans-108.1-13.6-178.9-66.8-169.2138.500115.3
56E34.6Very low34.5Very low201 Ų201163.6 Ų163.694%0.93982%0.821SS**THydrogen-bonded Turntrans-88.82.4-177.3-65.5-175.115100115.2
57E35.8Very low34.2Very low177 Ų177160.4 Ų160.483%0.82781%0.813SS**THydrogen-bonded Turntrans-111.715.1-177.2-141.9-176.9-146.300114.3
58E35.8Very low34.3Very low144 Ų144160.6 Ų160.667%0.67382%0.816SS**SBendtrans-115.3-2.9176.2-68.8-152.3156.400116.5
59E36.7Very low34.1Very low166 Ų166161.6 Ų161.678%0.77682%0.82SS**SBendtrans-85.8-28.2-179.8-70.2-151.9122.800116M61E59-M61 PolarHBondContact O-N 3.15Å
60E39.5Very low33.8Very low198 Ų198165.8 Ų165.893%0.92582%0.816SS**SBendtrans-77.558.3-175.5-160.9-173.2-164.200113.3
61M33.6Very low33.7Very low148 Ų148160 Ų16073%0.72981%0.81SS**  trans-157.640.3171.4-144.8-178.5-59.200114.9E59E59-M61 PolarHBondContact O-N 3.15Å
62Q33.1Very low33.5Very low170 Ų170158.4 Ų158.479%0.79480%0.803SS**  trans-116.6156.8164.4-60-168.678.400108.7
63E32.1Very low33.4Very low200 Ų200157.9 Ų157.994%0.93580%0.8SS**  trans70.2129.5-154-52.1172.6-166.600111
64E29.8Very low33.1Very low182 Ų182160.6 Ų160.685%0.8580%0.801SS**  cis-104.4132.416.2-177.9-177.2-147.700112.9V66E64-V66 HydrophobicContact CG-CG2 4.21Å
65M28.1Very low33Very low149 Ų149160.2 Ų160.273%0.73480%0.799SS**  trans-138.782.8174.3-176-176.867.800110.5L67M65-L67 HydrophobicContact CE-CD1 4.4Å; M65-L67 HydrophobicContact CE-CG 4.36Å; M65-L67 PolarHBondContact O-N 3.16Å
66V29.8Very low33.2Very low117 Ų117155.9 Ų155.971%0.70980%0.801SS**  trans-72.5109.4174.4-176.60000109.8E64E64-V66 HydrophobicContact CG-CG2 4.21Å
67L28.8Very low32.9Very low130 Ų130154.4 Ų154.468%0.68179%0.794SS**  trans-76.2124.8172.3-73.7165.5000109.9M65 V69M65-L67 HydrophobicContact CE-CD1 4.4Å; M65-L67 HydrophobicContact CE-CG 4.36Å; M65-L67 PolarHBondContact O-N 3.16Å; L67-V69 PolarHBondContact O-N 2.94Å
68L30.9Very low32.7Very low173 Ų173154.4 Ų154.491%0.90680%0.795SS**  trans-78103164.2-71173.4000108.8
69V32.9Very low32.3Very low132 Ų132155.5 Ų155.580%0.880%0.797SS**  trans-71.3137.1166.41800000108.5L67L67-V69 PolarHBondContact O-N 2.94Å
70K32Very low32Very low164 Ų164156.8 Ų156.871%0.71380%0.796SS**  trans-73.2133.9171-85.2-176.7136-145.10110.3E72K70-E72 IonicContact NZ-OE1 3.31Å; K70-E72 PolarHBondContact NZ-OE1 3.28Å; K70-E72 IonicContact NZ-OE2 3.94Å
71G31.2Very low31.5Very low76 Ų76155.2 Ų155.278%0.78479%0.789SS**  trans-117.9123.5153.700000109.3
72E33.7Very low31.3Very low147 Ų147153.8 Ų153.869%0.68779%0.788SS**  trans-111.3153.6156.4-70.7153.117500103.5K70K70-E72 IonicContact NZ-OE1 3.31Å; K70-E72 PolarHBondContact NZ-OE1 3.28Å; K70-E72 IonicContact NZ-OE2 3.94Å
73E32.7Very low31.2Very low186 Ų186151.2 Ų151.287%0.86978%0.784SS**  cis-141167.89.1-51.4167.112700106.3
74D29.1Very low31.1Very low152 Ų152150.5 Ų150.581%0.81378%0.777SS**  cis-157.1-156.7-5.5-151.8-30.5000108.7
75E34Very low31Very low180 Ų180148.6 Ų148.684%0.84177%0.772SS**  trans60.297.8164.3-63.9-155.8146.600119.2
76G42.4Very low30.9Very low82 Ų82151.2 Ų151.285%0.84578%0.78SS**SBend108.1-4.7110.400000120.8
77E29.8Very low30.9Very low169 Ų169151.9 Ų151.979%0.7978%0.778SS**  trans-150.1117.8171.7-121.3179.1-145.300113.6K79E77-K79 VanDerWaalsContact C-N 3.28Å; E77-K79 PolarHBondContact O-N 3.46Å
78E31.5Very low30.9Very low178 Ų178150.6 Ų150.683%0.83278%0.777SS**  trans-7475.5174.5-77.6-160.7133.100111.6Y80E78-Y80 HydrophobicContact CB-CD1 4.48Å; E78-Y80 HydrophobicContact CB-CE1 4.37Å; E78-Y80 WeakPolarHBondContact O-CD1 3.16Å; E78-Y80 WeakPolarHBondContact O-CE1 3.16Å; E78-Y80 PolarHBondContact O-N 3.15Å; E78-Y80 VanDerWaalsContact O-N 3.13Å
79K27.5Very low31.1Very low166 Ų166149.4 Ų149.472%0.72277%0.769SS**  trans-85.583.1-178.2-162.4171.6-174.5173.60112.6E77 E81E77-K79 VanDerWaalsContact C-N 3.28Å; E77-K79 PolarHBondContact O-N 3.46Å; K79-E81 PolarHBondContact O-N 3.04Å
80Y30.2Very low31.1Very low194 Ų194150.4 Ų150.476%0.76177%0.77SS**  trans-71.793.7176.327.8-100000113E78 V82E78-Y80 HydrophobicContact CB-CD1 4.48Å; E78-Y80 HydrophobicContact CB-CE1 4.37Å; E78-Y80 WeakPolarHBondContact O-CD1 3.16Å; E78-Y80 WeakPolarHBondContact O-CE1 3.16Å; E78-Y80 PolarHBondContact O-N 3.15Å; E78-Y80 VanDerWaalsContact O-N 3.13Å; Y80-V82 PolarHBondContact O-N 3.34Å
81E28.1Very low31.2Very low165 Ų165149.3 Ų149.377%0.77177%0.772SS**  trans-68.5116.1167.2-70.7-149.1140.700111.5K79 V83K79-E81 PolarHBondContact O-N 3.04Å; E81-V83 PolarHBondContact O-N 2.95Å
82V30.1Very low31.8Very low117 Ų117154.2 Ų154.271%0.70977%0.771SS**  trans-79.283.1-179.7-175.90000110Y80 K84Y80-V82 PolarHBondContact O-N 3.34Å; V82-K84 HydrophobicContact CG1-CG 4.45Å; V82-K84 PolarHBondContact O-N 2.96Å
83V31.5Very low31.6Very low116 Ų116156.5 Ų156.570%0.70378%0.782SS**  trans-62.5101.6170.4-176.90000109.2E81 L85E81-V83 PolarHBondContact O-N 2.95Å; V83-L85 HydrophobicContact CG1-CG 4.4Å; V83-L85 PolarHBondContact O-N 3.28Å
84K28.5Very low31.5Very low185 Ų185154.1 Ų154.180%0.80478%0.78SS**  trans-72.471.3-178.9-70.4178-178.6170.50111.9V82 K86V82-K84 HydrophobicContact CG1-CG 4.45Å; V82-K84 PolarHBondContact O-N 2.96Å; K84-K86 PolarHBondContact O-N 3.35Å
85L28.1Very low32.4Very low143 Ų143153 Ų15375%0.74978%0.781SS**  trans-62.1106164.9-75.8172.5000109.2V83 I87V83-L85 HydrophobicContact CG1-CG 4.4Å; V83-L85 PolarHBondContact O-N 3.28Å; L85-I87 VanDerWaalsContact C-N 3.33Å; L85-I87 PolarHBondContact O-N 3.34Å
86K27Very low32.7Very low203 Ų203147.6 Ų147.688%0.88377%0.774SS**  trans-66.390.3171.7-69.1179.3179.8176.70109.1K84 P88K84-K86 PolarHBondContact O-N 3.35Å; K86-P88 VanDerWaalsContact O-CD 3.32Å; K86-P88 WeakPolarHBondContact O-CD 3.42Å
87I30Very low32.1Very low131 Ų131153 Ų15367%0.67278%0.777SS**  trans-79.4115.1166.3-60.2170.3000107L85 M89L85-I87 VanDerWaalsContact C-N 3.33Å; L85-I87 PolarHBondContact O-N 3.34Å; I87-M89 HydrophobicContact CG2-CG 4.21Å; I87-M89 PolarHBondContact O-N 3.42Å; I87-M89 VanDerWaalsContact O-N 3.16Å
88P28.5Very low32.7Very low103 Ų103149.5 Ų149.567%0.66978%0.777SS**  trans-65.3116.9171.4-17.632.7000108.8K86K86-P88 VanDerWaalsContact O-CD 3.32Å; K86-P88 WeakPolarHBondContact O-CD 3.42Å
89M33.7Very low33Very low149 Ų149147 Ų14773%0.73478%0.776SS**  trans-106.470174.2-66.4-14374.400109.1I87 N91I87-M89 HydrophobicContact CG2-CG 4.21Å; I87-M89 PolarHBondContact O-N 3.42Å; I87-M89 VanDerWaalsContact O-N 3.16Å; M89-N91 VanDerWaalsContact C-N 3.26Å; M89-N91 PolarHBondContact O-N 2.91Å
90D32.7Very low33.9Very low152 Ų152143 Ų14381%0.81377%0.774SS**  trans-67.582.4178.4-66.3-62.5000111.4
91N35Very low34.7Very low141 Ų141139.5 Ų139.575%0.75478%0.775SS**  trans-10562.8-175.9-159.439.1000111.3M89M89-N91 VanDerWaalsContact C-N 3.26Å; M89-N91 PolarHBondContact O-N 2.91Å
92K44.2Very low35.5Very low179 Ų179137 Ų13778%0.77878%0.776SS**  trans48.2112.1166.8-65.6177.2176.6173.80118.1
93E29.1Very low36.6Very low196 Ų196135.8 Ų135.892%0.91678%0.778SS**  trans-112.7177.9130.7-67.6-164.2106.500109.7
94V31Very low38.2Very low135 Ų135134 Ų13482%0.81876%0.764SS**  trans-112.4-172.8-164.2-139.10000111.5G96V94-G96 PolarHBondContact O-N 2.83Å
95P48.3Very low40Very low130 Ų130131 Ų13184%0.84476%0.764SS**  trans-81.6122-135.436.1-23.1000113.5
96G39.3Very low42.4Very low66 Ų66127.4 Ų127.468%0.6876%0.755SS**  trans-155.2131.5169.700000110.5V94V94-G96 PolarHBondContact O-N 2.83Å
97E29.9Very low45Very low195 Ų195123.1 Ų123.191%0.91173%0.733SS**  trans46.1114.9160.5-55-171.6136.900118.4
98A42.3Very low47.6Very low95 Ų95121 Ų12179%0.78573%0.727SS**PPolyproline II helixtrans-66.3132.4169.600000110.2A100A98-A100 PolarHBondContact O-N 2.85Å
99P38.8Very low50.5Low125 Ų125119.1 Ų119.181%0.81271%0.71SS**PPolyproline II helixtrans-61.3133.9175.125.7-33.6000109.8
100A45.2Very low53.1Low84 Ų84114.5 Ų114.569%0.69470%0.696SS**PPolyproline II helixtrans-57.5145.2-176.900000111.6A98 S102A98-A100 PolarHBondContact O-N 2.85Å; A100-S102 PolarHBondContact O-N 3.26Å
101P48.1Very low55.9Low119 Ų119107.4 Ų107.477%0.77366%0.658SS**  trans-71.692-175.329.3-35.3000111.3A103P101-A103 PolarHBondContact O-N 2.5Å; P101-A103 VanDerWaalsContact O-N 3.17Å
102S43.7Very low58.4Low113 Ų113106.3 Ų106.379%0.7966%0.658SS**  trans-63.2113160.745.50000108.6A100 D104A100-S102 PolarHBondContact O-N 3.26Å; S102-D104 VanDerWaalsContact C-N 3.28Å; S102-D104 PolarHBondContact O-N 3.39Å
103A54.9Low60.4Low91 Ų91102.9 Ų102.975%0.75265%0.648SS**  trans-74.281.4-178.500000110.6P101 P105P101-A103 PolarHBondContact O-N 2.5Å; P101-A103 VanDerWaalsContact O-N 3.17Å; A103-P105 WeakPolarHBondContact O-CD 3.41Å; A103-P105 VanDerWaalsContact O-N 3.12Å
104D64Low63.3Low78 Ų7896.6 Ų96.642%0.41763%0.625SS.*  trans-52.1113165.1175.5-4.8000108.6S102 A106 R107S102-D104 VanDerWaalsContact C-N 3.28Å; S102-D104 PolarHBondContact O-N 3.39Å; D104-A106 PolarHBondContact O-N 2.84Å; D104-A106 VanDerWaalsContact O-N 3.1Å; D104-A106 PolarHBondContact OD1-N 3.27Å; D104-R107 HydrophobicContact CB-CB 4.48Å; D104-R107 CarbonylContact O-C 3.5Å; D104-R107 PolarHBondContact O-N 3.27Å; D104-R107 WeakPolarHBondContact OD2-CD 3.3Å
105P67.1Low65.9Low124 Ų12493 Ų9381%0.80562%0.616SS**THydrogen-bonded Turntrans-65.6-18.5-169.325.5-34.3000113A103 R107A103-P105 WeakPolarHBondContact O-CD 3.41Å; A103-P105 VanDerWaalsContact O-N 3.12Å; P105-R107 VanDerWaalsContact C-N 3.26Å; P105-R107 PolarHBondContact O-N 3.2Å
106A76.8Confident67.8Low66 Ų6694.4 Ų94.455%0.54561%0.605SS.*THydrogen-bonded Turntrans-76.2-10.9172.900000113.3D104 A119D104-A106 PolarHBondContact O-N 2.84Å; D104-A106 VanDerWaalsContact O-N 3.1Å; D104-A106 PolarHBondContact OD1-N 3.27Å; A106-A119 WeakPolarHBondContact O-CA 3.5Å; A106-A119 VanDerWaalsContact O-CB 3.27Å; A106-A119 WeakPolarHBondContact O-CB 3.29Å
107R82.1Confident70.3Confident113 Ų11392.7 Ų92.743%0.42658%0.584SS.*  trans-138.850.2-167.7-49.6-175.774.4148.56.5114.1D104 P105 H109 A117 F118D104-R107 HydrophobicContact CB-CB 4.48Å; D104-R107 CarbonylContact O-C 3.5Å; D104-R107 PolarHBondContact O-N 3.27Å; D104-R107 WeakPolarHBondContact OD2-CD 3.3Å; P105-R107 VanDerWaalsContact C-N 3.26Å; P105-R107 PolarHBondContact O-N 3.2Å; R107-H109 PolarHBondContact O-N 3.3Å; R107-A117 HydrophobicContact CB-CB 3.74Å; R107-A117 VanDerWaalsContact CZ-O 3.31Å; R107-A117 PolarHBondContact NE-O 3.2Å; R107-A117 PolarHBondContact NH2-O 3.36Å; R107-F118 CarbonylContact C-O 3.55Å; R107-F118 VanDerWaalsContact C-O 3.24Å; R107-F118 WeakPolarHBondContact CA-O 3.36Å
108P85.1Confident73.2Confident86 Ų8684.9 Ų84.956%0.55855%0.547SS*.BIsolated β-bridgetrans-66.2-7-168.428.7-38000116.1
109H88.4Confident75.5Confident64 Ų6483.2 Ų83.230%0.29653%0.534SS..EExtended strand (participates in β ladder)trans-105.891.1-177.5-55.5-60.5000111.8R107 F118 R121 L124R107-H109 PolarHBondContact O-N 3.3Å; H109-F118 HydrophobicContact CB-CB 4.36Å; H109-F118 WeakPolarHBondContact CB-O 3.49Å; H109-F118 PolarHBondContact N-O 3.09Å; H109-F118 WeakPolarHBondContact O-CB 3.1Å; H109-F118 PolarHBondContact O-N 3.47Å; H109-R121 PolarHBondContact CD2-N 2.87Å; H109-R121 PolarHBondContact NE2-N 2.94Å; H109-L124 HydrophobicContact CB-CB 4.25Å; H109-L124 HydrophobicContact CB-CD2 3.87Å
110A89.9Confident78Confident53 Ų5385.3 Ų85.344%0.43853%0.525SS..EExtended strand (participates in β ladder)trans-77.6147173.700000112.8R116 L124A110-R116 CarbonylContact C-O 3.47Å; A110-L124 WeakPolarHBondContact O-CD2 3.37Å
111C90.9Very high80.1Confident2 Ų290.7 Ų90.71%0.01453%0.527CS..  trans-89125.5169.8179.20000110.3D113 C114 G115 R116 F118 L124 H131C111-D113 VanDerWaalsContact C-N 3.33Å; C111-D113 PolarHBondContact O-N 3.09Å; C111-D113 PolarHBondContact SG-OD2 2.88Å; C111-C114 VanDerWaalsContact SG-SG 3.62Å; C111-G115 VanDerWaalsContact O-CA 3.28Å; C111-G115 WeakPolarHBondContact O-CA 3.29Å; C111-G115 PolarHBondContact O-N 2.88Å; C111-R116 PolarHBondContact N-O 2.99Å; C111-F118 HydrophobicContact CB-CE2 4.37Å; C111-L124 HydrophobicContact CB-CD1 3.54Å; C111-H131 VanDerWaalsContact SG-CD2 3.59Å; C111-H131 PolarHBondContact SG-NE2 3.25Å; C111-H131 VanDerWaalsContact SG-NE2 3.4Å
112P87.1Confident82Confident119 Ų11988.3 Ų88.377%0.77351%0.514SS*.THydrogen-bonded Turntrans-66.5-34.5-177.627.1-34.3000112.4C114P112-C114 VanDerWaalsContact C-N 3.29Å; P112-C114 PolarHBondContact O-N 2.85Å
113D86.8Confident84.2Confident106 Ų10685.2 Ų85.257%0.56749%0.49SS*.THydrogen-bonded Turntrans-75.2-14.2-173.3-40.7-79000114C111 H131C111-D113 VanDerWaalsContact C-N 3.33Å; C111-D113 PolarHBondContact O-N 3.09Å; C111-D113 PolarHBondContact SG-OD2 2.88Å; D113-H131 HydrophobicContact CB-CB 4.37Å; D113-H131 IonicContact OD2-CD2 3.47Å; D113-H131 PolarHBondContact OD2-CD2 3.23Å
114C89.7Confident85.9Confident64 Ų6482.4 Ų82.443%0.43246%0.462SS..THydrogen-bonded Turntrans-152.49.9-175.271.30000115.6C111 P112 R116 H127 H131C111-C114 VanDerWaalsContact SG-SG 3.62Å; P112-C114 VanDerWaalsContact C-N 3.29Å; P112-C114 PolarHBondContact O-N 2.85Å; C114-R116 PolarHBondContact O-N 3.24Å; C114-R116 VanDerWaalsContact SG-CB 3.57Å; C114-H127 PolarHBondContact SG-NE2 3.1Å; C114-H131 PolarHBondContact SG-NE2 2.8Å
115G85.4Confident87Confident61 Ų6181 Ų8163%0.62946%0.462SS*.  trans66.1-3.8-179.500000116.1C111 A117C111-G115 VanDerWaalsContact O-CA 3.28Å; C111-G115 WeakPolarHBondContact O-CA 3.29Å; C111-G115 PolarHBondContact O-N 2.88Å; G115-A117 PolarHBondContact O-N 2.96Å
116R87.8Confident88.1Confident159 Ų15980.2 Ų80.260%0.645%0.446SS*.  trans-73.3128.9-167.5-163.2173.3-164.8174.85.5112.4A110 C111 C114 F118A110-R116 CarbonylContact C-O 3.47Å; C111-R116 PolarHBondContact N-O 2.99Å; C114-R116 PolarHBondContact O-N 3.24Å; C114-R116 VanDerWaalsContact SG-CB 3.57Å; R116-F118 HydrophobicContact CB-CE2 3.98Å; R116-F118 HydrophobicContact CB-CZ 4.45Å; R116-F118 HydrophobicContact CG-CE2 4Å; R116-F118 HydrophobicContact CG-CZ 4.1Å; R116-F118 WeakPolarHBondContact O-CD2 3.21Å; R116-F118 WeakPolarHBondContact O-CE2 3.48Å
117A91.6Very high88.7Confident30 Ų3078.4 Ų78.425%0.24843%0.426CS..EExtended strand (participates in β ladder)trans-92.8142.9-174.400000114.5R107 G115R107-A117 HydrophobicContact CB-CB 3.74Å; R107-A117 VanDerWaalsContact CZ-O 3.31Å; R107-A117 PolarHBondContact NE-O 3.2Å; R107-A117 PolarHBondContact NH2-O 3.36Å; G115-A117 PolarHBondContact O-N 2.96Å
118F91.2Very high89Confident30 Ų3074.5 Ų74.513%0.13242%0.418CS..EExtended strand (participates in β ladder)trans-135141.7-175.1-65.5-92.3000112.5R107 H109 C111 R116 L124 H127R107-F118 CarbonylContact C-O 3.55Å; R107-F118 VanDerWaalsContact C-O 3.24Å; R107-F118 WeakPolarHBondContact CA-O 3.36Å; H109-F118 HydrophobicContact CB-CB 4.36Å; H109-F118 WeakPolarHBondContact CB-O 3.49Å; H109-F118 PolarHBondContact N-O 3.09Å; H109-F118 WeakPolarHBondContact O-CB 3.1Å; H109-F118 PolarHBondContact O-N 3.47Å; C111-F118 HydrophobicContact CB-CE2 4.37Å; R116-F118 HydrophobicContact CB-CE2 3.98Å; R116-F118 HydrophobicContact CB-CZ 4.45Å; R116-F118 HydrophobicContact CG-CE2 4Å; R116-F118 HydrophobicContact CG-CZ 4.1Å; R116-F118 WeakPolarHBondContact O-CD2 3.21Å; R116-F118 WeakPolarHBondContact O-CE2 3.48Å; F118-L124 HydrophobicContact CB-CB 4.18Å; F118-L124 HydrophobicContact CD2-CB 4.17Å; F118-L124 HydrophobicContact CD2-CD1 3.96Å; F118-L124 HydrophobicContact CE2-CD1 4.24Å; F118-L124 HydrophobicContact CG-CB 4.23Å; F118-H127 HydrophobicContact CE1-CB 4.01Å; F118-H127 HydrophobicContact CE2-CB 4.19Å; F118-H127 AromaticContact CE2-CD2 3.24Å; F118-H127 WeakPolarHBondContact CE2-CD2 3.34Å; F118-H127 AromaticContact CE2-CG 3.94Å; F118-H127 HydrophobicContact CZ-CB 3.64Å; F118-H127 AromaticContact CZ-CD2 3.19Å; F118-H127 WeakPolarHBondContact CZ-CD2 3.38Å; F118-H127 AromaticContact CZ-CG 3.47Å; F118-H127 VanDerWaalsContact CZ-CG 3.47Å; F118-H127 AromaticContact CZ-NE2 3.98Å
119A91.1Very high89.2Confident61 Ų6173.5 Ų73.550%0.50440%0.403SS..SBendtrans-73.7-22.2179.300000114.5A106A106-A119 WeakPolarHBondContact O-CA 3.5Å; A106-A119 VanDerWaalsContact O-CB 3.27Å; A106-A119 WeakPolarHBondContact O-CB 3.29Å
120R91Very high89.2Confident169 Ų16974.9 Ų74.964%0.63842%0.416SS*.SBendtrans-135.3132.8-176.4-59.8-179.9-175.2160.12.9110.4S122 T123 L124R120-S122 PolarHBondContact O-N 3.39Å; R120-S122 VanDerWaalsContact O-N 3.08Å; R120-T123 HydrophobicContact CB-CG2 4.37Å; R120-T123 PolarHBondContact O-N 3.03Å; R120-T123 PolarHBondContact O-OG1 3.41Å; R120-L124 PolarHBondContact O-N 2.82Å
121R89.2Confident89.1Confident196 Ų19676.1 Ų76.174%0.7441%0.413SS*.Hα-helixtrans-55.2-30.9178.2-170.4178.4-179.8-172.51.2112.6H109 L124 A125H109-R121 PolarHBondContact CD2-N 2.87Å; H109-R121 PolarHBondContact NE2-N 2.94Å; R121-L124 PolarHBondContact O-N 2.84Å; R121-A125 WeakPolarHBondContact O-CB 3.45Å; R121-A125 PolarHBondContact O-N 2.7Å
122S88.6Confident89Confident70 Ų7080.2 Ų80.249%0.4944%0.437SS..Hα-helixtrans-67.5-30.6174.759.80000113.8R120 K126R120-S122 PolarHBondContact O-N 3.39Å; R120-S122 VanDerWaalsContact O-N 3.08Å; S122-K126 VanDerWaalsContact O-CG 3.26Å; S122-K126 WeakPolarHBondContact O-CG 3.39Å; S122-K126 PolarHBondContact O-N 3.14Å
123T89.2Confident89Confident48 Ų4876.8 Ų76.829%0.29442%0.424SS..Hα-helixtrans-79.6-35.3174.758.40000111.6R120 K126 H127R120-T123 HydrophobicContact CB-CG2 4.37Å; R120-T123 PolarHBondContact O-N 3.03Å; R120-T123 PolarHBondContact O-OG1 3.41Å; T123-K126 PolarHBondContact O-N 3.15Å; T123-H127 WeakPolarHBondContact O-CB 3.42Å; T123-H127 PolarHBondContact O-N 3.16Å
124L91Very high89.1Confident31 Ų3176.3 Ų76.316%0.16242%0.419CS..Hα-helixtrans-59-46.4166.6173.959.2000111.5H109 A110 C111 F118 R120 R121 K126 H127 A128H109-L124 HydrophobicContact CB-CB 4.25Å; H109-L124 HydrophobicContact CB-CD2 3.87Å; A110-L124 WeakPolarHBondContact O-CD2 3.37Å; C111-L124 HydrophobicContact CB-CD1 3.54Å; F118-L124 HydrophobicContact CB-CB 4.18Å; F118-L124 HydrophobicContact CD2-CB 4.17Å; F118-L124 HydrophobicContact CD2-CD1 3.96Å; F118-L124 HydrophobicContact CE2-CD1 4.24Å; F118-L124 HydrophobicContact CG-CB 4.23Å; R120-L124 PolarHBondContact O-N 2.82Å; R121-L124 PolarHBondContact O-N 2.84Å; L124-K126 PolarHBondContact O-N 3.26Å; L124-H127 CarbonylContact O-C 3.21Å; L124-H127 WeakPolarHBondContact O-CA 3.42Å; L124-H127 WeakPolarHBondContact O-CB 3.46Å; L124-H127 PolarHBondContact O-N 2.89Å; L124-A128 PolarHBondContact O-N 2.84Å
125A87.3Confident89.1Confident50 Ų5079.3 Ų79.341%0.41342%0.421SS..Hα-helixtrans-64.6-36.5177.400000113R121 H127R121-A125 WeakPolarHBondContact O-CB 3.45Å; R121-A125 PolarHBondContact O-N 2.7Å; A125-H127 VanDerWaalsContact C-N 3.27Å; A125-H127 PolarHBondContact O-N 2.7Å
126K89.2Confident89.4Confident107 Ų10779.2 Ų79.247%0.46541%0.409SS..Hα-helixtrans-64-32169.7-74.1170.5-175.2-179.90111.9S122 T123 L124S122-K126 VanDerWaalsContact O-CG 3.26Å; S122-K126 WeakPolarHBondContact O-CG 3.39Å; S122-K126 PolarHBondContact O-N 3.14Å; T123-K126 PolarHBondContact O-N 3.15Å; L124-K126 PolarHBondContact O-N 3.26Å
127H89.6Confident89.6Confident27 Ų2775 Ų7513%0.12540%0.395CS..Hα-helixtrans-78.1-43.6178.417338.5000113.4C114 F118 T123 L124 A125 R129 T130 H131C114-H127 PolarHBondContact SG-NE2 3.1Å; F118-H127 HydrophobicContact CE1-CB 4.01Å; F118-H127 HydrophobicContact CE2-CB 4.19Å; F118-H127 AromaticContact CE2-CD2 3.24Å; F118-H127 WeakPolarHBondContact CE2-CD2 3.34Å; F118-H127 AromaticContact CE2-CG 3.94Å; F118-H127 HydrophobicContact CZ-CB 3.64Å; F118-H127 AromaticContact CZ-CD2 3.19Å; F118-H127 WeakPolarHBondContact CZ-CD2 3.38Å; F118-H127 AromaticContact CZ-CG 3.47Å; F118-H127 VanDerWaalsContact CZ-CG 3.47Å; F118-H127 AromaticContact CZ-NE2 3.98Å; T123-H127 WeakPolarHBondContact O-CB 3.42Å; T123-H127 PolarHBondContact O-N 3.16Å; L124-H127 CarbonylContact O-C 3.21Å; L124-H127 WeakPolarHBondContact O-CA 3.42Å; L124-H127 WeakPolarHBondContact O-CB 3.46Å; L124-H127 PolarHBondContact O-N 2.89Å; A125-H127 VanDerWaalsContact C-N 3.27Å; A125-H127 PolarHBondContact O-N 2.7Å; H127-R129 PolarHBondContact O-N 3.48Å; H127-T130 PolarHBondContact CE1-OG1 3.37Å; H127-T130 VanDerWaalsContact CE1-OG1 3.28Å; H127-T130 PolarHBondContact ND1-OG1 3.37Å; H127-T130 VanDerWaalsContact ND1-OG1 3.08Å; H127-T130 WeakPolarHBondContact O-CB 3.25Å; H127-T130 PolarHBondContact O-N 3.18Å; H127-T130 PolarHBondContact O-OG1 2.9Å; H127-H131 AromaticContact CE1-CE1 3.9Å; H127-H131 AromaticContact CE1-NE2 3.45Å; H127-H131 PolarHBondContact CE1-NE2 3.08Å; H127-H131 AromaticContact NE2-NE2 3.4Å; H127-H131 PolarHBondContact NE2-NE2 3.49Å
128A88.6Confident89.6Confident31 Ų3175.8 Ų75.826%0.25640%0.402SS..Hα-helixtrans-52.7-30.3-17700000113.1L124 T130 H131 T132L124-A128 PolarHBondContact O-N 2.84Å; A128-T130 PolarHBondContact O-N 3.18Å; A128-T130 VanDerWaalsContact O-N 3.1Å; A128-H131 PolarHBondContact O-N 3.45Å; A128-T132 PolarHBondContact O-N 3.32Å
129R90.3Very high89.7Confident66 Ų6674.7 Ų74.725%0.24940%0.398CS..THydrogen-bonded Turntrans-58.7-16.5171.9-59.1-168.8179.8133.412.8115.4H127 H131 G133 E134 S147H127-R129 PolarHBondContact O-N 3.48Å; R129-H131 VanDerWaalsContact C-N 3.33Å; R129-G133 CarbonylContact O-C 3.58Å; R129-G133 WeakPolarHBondContact O-CA 3.26Å; R129-G133 PolarHBondContact O-N 2.96Å; R129-G133 VanDerWaalsContact O-N 3.16Å; R129-E134 HydrophobicContact CB-CB 3.94Å; R129-E134 HydrophobicContact CG-CB 3.74Å; R129-E134 IonicContact NE-OE2 3.33Å; R129-E134 PolarHBondContact NE-OE2 3.5Å; R129-E134 PolarHBondContact O-N 2.96Å; R129-S147 PolarHBondContact NH1-O 3.31Å
130T88.2Confident89.7Confident93 Ų9378.6 Ų78.657%0.57142%0.415SS*.THydrogen-bonded Turntrans-78-20.5171.964.10000112.7H127 A128H127-T130 PolarHBondContact CE1-OG1 3.37Å; H127-T130 VanDerWaalsContact CE1-OG1 3.28Å; H127-T130 PolarHBondContact ND1-OG1 3.37Å; H127-T130 VanDerWaalsContact ND1-OG1 3.08Å; H127-T130 WeakPolarHBondContact O-CB 3.25Å; H127-T130 PolarHBondContact O-N 3.18Å; H127-T130 PolarHBondContact O-OG1 2.9Å; A128-T130 PolarHBondContact O-N 3.18Å; A128-T130 VanDerWaalsContact O-N 3.1Å
131H88.2Confident89.7Confident79 Ų7976.4 Ų76.437%0.36641%0.412SS..THydrogen-bonded Turntrans-95-47.9175.8-53.6-51.6000110.8C111 D113 C114 H127 A128 R129 G133C111-H131 VanDerWaalsContact SG-CD2 3.59Å; C111-H131 PolarHBondContact SG-NE2 3.25Å; C111-H131 VanDerWaalsContact SG-NE2 3.4Å; D113-H131 HydrophobicContact CB-CB 4.37Å; D113-H131 IonicContact OD2-CD2 3.47Å; D113-H131 PolarHBondContact OD2-CD2 3.23Å; C114-H131 PolarHBondContact SG-NE2 2.8Å; H127-H131 AromaticContact CE1-CE1 3.9Å; H127-H131 AromaticContact CE1-NE2 3.45Å; H127-H131 PolarHBondContact CE1-NE2 3.08Å; H127-H131 AromaticContact NE2-NE2 3.4Å; H127-H131 PolarHBondContact NE2-NE2 3.49Å; A128-H131 PolarHBondContact O-N 3.45Å; R129-H131 VanDerWaalsContact C-N 3.33Å; H131-G133 PolarHBondContact O-N 3.37Å
132T87.7Confident89.8Confident87 Ų8770.1 Ų70.153%0.53440%0.398SS..SBendtrans-71.9-12.517767.40000113.9A128 E134A128-T132 PolarHBondContact O-N 3.32Å; T132-E134 PolarHBondContact O-N 2.96Å; T132-E134 WeakPolarHBondContact OG1-CB 3.45Å; T132-E134 WeakPolarHBondContact OG1-CG 3.27Å; T132-E134 PolarHBondContact OG1-N 3.24Å
133G87.1Confident89.9Confident48 Ų4869.2 Ų69.250%0.49540%0.399SS..  trans70.95.6-17600000114.6R129 H131 R135R129-G133 CarbonylContact O-C 3.58Å; R129-G133 WeakPolarHBondContact O-CA 3.26Å; R129-G133 PolarHBondContact O-N 2.96Å; R129-G133 VanDerWaalsContact O-N 3.16Å; H131-G133 PolarHBondContact O-N 3.37Å; G133-R135 WeakPolarHBondContact O-CG 3.47Å; G133-R135 PolarHBondContact O-N 3.44Å
134E89.8Confident90Very high96 Ų9673.7 Ų73.745%0.44941%0.411SS..  trans-53.5121.2-177.3-97.2179.4-135.800113.2R129 T132 S147R129-E134 HydrophobicContact CB-CB 3.94Å; R129-E134 HydrophobicContact CG-CB 3.74Å; R129-E134 IonicContact NE-OE2 3.33Å; R129-E134 PolarHBondContact NE-OE2 3.5Å; R129-E134 PolarHBondContact O-N 2.96Å; T132-E134 PolarHBondContact O-N 2.96Å; T132-E134 WeakPolarHBondContact OG1-CB 3.45Å; T132-E134 WeakPolarHBondContact OG1-CG 3.27Å; T132-E134 PolarHBondContact OG1-N 3.24Å; E134-S147 VanDerWaalsContact O-CB 3.31Å; E134-S147 WeakPolarHBondContact O-CB 3.43Å
135R89.9Confident90.1Very high127 Ų12778.4 Ų78.448%0.47943%0.427SS..  trans-130.175.2178.3-70.416075.6175.31.3110.1G133 F137 R145 F146G133-R135 WeakPolarHBondContact O-CG 3.47Å; G133-R135 PolarHBondContact O-N 3.44Å; R135-F137 PolarHBondContact O-N 3.14Å; R135-R145 HydrophobicContact CB-CB 3.64Å; R135-R145 VanDerWaalsContact CZ-O 3.23Å; R135-R145 PolarHBondContact NE-O 2.82Å; R135-R145 PolarHBondContact NH2-O 3.02Å; R135-R145 PolarHBondContact O-NE 2.88Å; R135-R145 PolarHBondContact O-NH2 3.28Å; R135-F146 CarbonylContact C-O 3.13Å; R135-F146 WeakPolarHBondContact CA-O 3.42Å
136P90.8Very high90.3Very high59 Ų5977.6 Ų77.638%0.38341%0.414SS..  trans-60.6-42.8-173.7-24.435.5000112.8A138 R145P136-A138 PolarHBondContact O-N 3.1Å; P136-R145 PolarHBondContact O-NH2 3.34Å
137F92.3Very high90.3Very high70 Ų7074.2 Ų74.231%0.30740%0.404SS..EExtended strand (participates in β ladder)trans-82.6111.1-169.2-51.6-82.4000111.3R135 R145 F146 K149 L152R135-F137 PolarHBondContact O-N 3.14Å; F137-R145 CarbonylContact O-C 3.44Å; F137-R145 VanDerWaalsContact O-CA 3.3Å; F137-R145 WeakPolarHBondContact O-CA 3.31Å; F137-F146 HydrophobicContact CB-CB 4.43Å; F137-F146 WeakPolarHBondContact CD2-O 3.47Å; F137-F146 PolarHBondContact N-O 3.15Å; F137-F146 VanDerWaalsContact N-O 3.09Å; F137-F146 PolarHBondContact O-N 3.3Å; F137-K149 HydrophobicContact CD1-CB 4.04Å; F137-K149 HydrophobicContact CE1-CB 3.86Å; F137-K149 HydrophobicContact CZ-CB 4.2Å; F137-L152 HydrophobicContact CB-CB 4.26Å; F137-L152 HydrophobicContact CB-CD2 3.88Å
138A92.3Very high90.4Very high47 Ų4776.8 Ų76.839%0.38842%0.416SS..EExtended strand (participates in β ladder)trans-99.1140.9177.900000111.9P136 R145 L152P136-A138 PolarHBondContact O-N 3.1Å; A138-R145 HydrophobicContact CB-CG 4.14Å; A138-L152 WeakPolarHBondContact O-CD2 3Å
139C93.2Very high90.5Very high7 Ų782.3 Ų82.35%0.04743%0.434CS..  trans-77.3127.3164.4177.20000109.5G143 R144 L152 H159C139-G143 WeakPolarHBondContact O-CA 3.36Å; C139-G143 PolarHBondContact O-N 2.92Å; C139-R144 WeakPolarHBondContact CB-O 3.33Å; C139-R144 PolarHBondContact N-O 3.12Å; C139-L152 HydrophobicContact CB-CD1 3.62Å; C139-H159 PolarHBondContact SG-NE2 3.31Å; C139-H159 VanDerWaalsContact SG-NE2 3.44Å
140T91.3Very high90.4Very high142 Ų14282 Ų8287%0.87144%0.442SS*.THydrogen-bonded Turntrans-67.2-37.7178.242.90000112.6
141E90.3Very high90.4Very high123 Ų12379.3 Ų79.358%0.57543%0.429SS*.THydrogen-bonded Turntrans-77.1-25.7-172.8-61.1168117.300113.9H159E141-H159 WeakPolarHBondContact OE2-CB 3.45Å; E141-H159 IonicContact OE2-CD2 2.71Å; E141-H159 PolarHBondContact OE2-CD2 3.46Å; E141-H159 IonicContact OE2-CG 3.69Å
142C91.7Very high90.6Very high64 Ų6477.3 Ų77.343%0.43242%0.421SS..THydrogen-bonded Turntrans-138.99.6-176.874.60000115.1R144 H155 H159C142-R144 PolarHBondContact O-N 2.63Å; C142-R144 WeakPolarHBondContact SG-CB 3.17Å; C142-H155 PolarHBondContact SG-NE2 3.37Å; C142-H159 PolarHBondContact SG-NE2 3.15Å; C142-H159 VanDerWaalsContact SG-NE2 3.42Å
143G89.4Confident90.7Very high51 Ų5176.8 Ų76.853%0.52642%0.418SS..  trans66.4-4.7-179.800000115.9C139 R145C139-G143 WeakPolarHBondContact O-CA 3.36Å; C139-G143 PolarHBondContact O-N 2.92Å; G143-R145 WeakPolarHBondContact O-CG 3.44Å; G143-R145 PolarHBondContact O-N 2.9Å
144R91.7Very high90.8Very high142 Ų14279.6 Ų79.654%0.53642%0.416SS..  trans-68.1126.3-171.6-167.9174.8-173177.54.7111.2C139 C142 F146C139-R144 WeakPolarHBondContact CB-O 3.33Å; C139-R144 PolarHBondContact N-O 3.12Å; C142-R144 PolarHBondContact O-N 2.63Å; C142-R144 WeakPolarHBondContact SG-CB 3.17Å; R144-F146 HydrophobicContact CB-CE2 4.09Å; R144-F146 HydrophobicContact CB-CZ 4.45Å; R144-F146 HydrophobicContact CG-CE2 3.9Å; R144-F146 HydrophobicContact CG-CZ 3.87Å; R144-F146 WeakPolarHBondContact O-CD2 3.35Å; R144-F146 WeakPolarHBondContact O-CE2 3.45Å
145R92.4Very high90.8Very high131 Ų13175.9 Ų75.949%0.49440%0.399SS..EExtended strand (participates in β ladder)trans-98.2152-175.4-50.8-169.870.6127.86.5113.8R135 P136 F137 A138 G143R135-R145 HydrophobicContact CB-CB 3.64Å; R135-R145 VanDerWaalsContact CZ-O 3.23Å; R135-R145 PolarHBondContact NE-O 2.82Å; R135-R145 PolarHBondContact NH2-O 3.02Å; R135-R145 PolarHBondContact O-NE 2.88Å; R135-R145 PolarHBondContact O-NH2 3.28Å; P136-R145 PolarHBondContact O-NH2 3.34Å; F137-R145 CarbonylContact O-C 3.44Å; F137-R145 VanDerWaalsContact O-CA 3.3Å; F137-R145 WeakPolarHBondContact O-CA 3.31Å; A138-R145 HydrophobicContact CB-CG 4.14Å; G143-R145 WeakPolarHBondContact O-CG 3.44Å; G143-R145 PolarHBondContact O-N 2.9Å
146F91.3Very high90.7Very high32 Ų3270.8 Ų70.814%0.1439%0.386CS..EExtended strand (participates in β ladder)trans-137.9150.2-176.7-61.6-92.4000111.5R135 F137 R144 A151 L152 H155R135-F146 CarbonylContact C-O 3.13Å; R135-F146 WeakPolarHBondContact CA-O 3.42Å; F137-F146 HydrophobicContact CB-CB 4.43Å; F137-F146 WeakPolarHBondContact CD2-O 3.47Å; F137-F146 PolarHBondContact N-O 3.15Å; F137-F146 VanDerWaalsContact N-O 3.09Å; F137-F146 PolarHBondContact O-N 3.3Å; R144-F146 HydrophobicContact CB-CE2 4.09Å; R144-F146 HydrophobicContact CB-CZ 4.45Å; R144-F146 HydrophobicContact CG-CE2 3.9Å; R144-F146 HydrophobicContact CG-CZ 3.87Å; R144-F146 WeakPolarHBondContact O-CD2 3.35Å; R144-F146 WeakPolarHBondContact O-CE2 3.45Å; F146-A151 HydrophobicContact CB-CB 4.35Å; F146-A151 HydrophobicContact CD1-CB 3.9Å; F146-A151 HydrophobicContact CG-CB 4.44Å; F146-L152 HydrophobicContact CB-CB 4.37Å; F146-L152 HydrophobicContact CD2-CB 4.03Å; F146-L152 HydrophobicContact CD2-CD1 3.94Å; F146-L152 HydrophobicContact CE2-CD1 4.09Å; F146-L152 HydrophobicContact CG-CB 4.28Å; F146-H155 HydrophobicContact CE1-CB 4.11Å; F146-H155 HydrophobicContact CE2-CB 4.14Å; F146-H155 AromaticContact CE2-CD2 3.29Å; F146-H155 WeakPolarHBondContact CE2-CD2 3.38Å; F146-H155 AromaticContact CE2-CG 3.95Å; F146-H155 HydrophobicContact CZ-CB 3.62Å; F146-H155 AromaticContact CZ-CD2 3.23Å; F146-H155 WeakPolarHBondContact CZ-CD2 3.42Å; F146-H155 AromaticContact CZ-CG 3.48Å; F146-H155 VanDerWaalsContact CZ-CG 3.48Å
147S91.1Very high90.7Very high36 Ų3670.5 Ų70.525%0.25238%0.378SS..SBendtrans-83.6-9.7178.552.40000114R129 E134R129-S147 PolarHBondContact NH1-O 3.31Å; E134-S147 VanDerWaalsContact O-CB 3.31Å; E134-S147 WeakPolarHBondContact O-CB 3.43Å
148Q90.4Very high90.6Very high82 Ų8271.3 Ų71.338%0.38339%0.388SS..SBendtrans-141.9141.1-177.7-56.8-177.1800111.4S150 A151 L152Q148-S150 PolarHBondContact O-N 3.04Å; Q148-A151 HydrophobicContact CB-CB 4.38Å; Q148-A151 PolarHBondContact O-N 3.49Å; Q148-L152 PolarHBondContact O-N 3.42Å
149K90.3Very high90.4Very high146 Ų14672.6 Ų72.664%0.63539%0.386SS*.Hα-helixtrans-58.8-45.9178.1-172.6-174.4177.2-168.80112.1F137 A151 L152 T153F137-K149 HydrophobicContact CD1-CB 4.04Å; F137-K149 HydrophobicContact CE1-CB 3.86Å; F137-K149 HydrophobicContact CZ-CB 4.2Å; K149-A151 PolarHBondContact O-N 3.11Å; K149-L152 WeakPolarHBondContact O-CA 3.47Å; K149-L152 WeakPolarHBondContact O-CB 3.42Å; K149-L152 PolarHBondContact O-N 3.35Å; K149-T153 PolarHBondContact O-N 2.68Å; K149-T153 PolarHBondContact O-OG1 2.63Å
150S89Confident90.2Very high59 Ų5976.2 Ų76.241%0.41341%0.408SS..Hα-helixtrans-59.4-31.7179.456.10000113.7Q148 K154Q148-S150 PolarHBondContact O-N 3.04Å; S150-K154 WeakPolarHBondContact O-CB 3.44Å; S150-K154 VanDerWaalsContact O-CG 3.29Å; S150-K154 WeakPolarHBondContact O-CG 3.46Å; S150-K154 PolarHBondContact O-N 3.04Å
151A89.1Confident90Very high37 Ų3771.8 Ų71.831%0.30639%0.39SS..Hα-helixtrans-73.1-33.1174.200000112.4F146 Q148 K149 H155F146-A151 HydrophobicContact CB-CB 4.35Å; F146-A151 HydrophobicContact CD1-CB 3.9Å; F146-A151 HydrophobicContact CG-CB 4.44Å; Q148-A151 HydrophobicContact CB-CB 4.38Å; Q148-A151 PolarHBondContact O-N 3.49Å; K149-A151 PolarHBondContact O-N 3.11Å; A151-H155 WeakPolarHBondContact O-CB 3.49Å; A151-H155 PolarHBondContact O-N 3.24Å; A151-H155 VanDerWaalsContact O-N 3.15Å
152L92.3Very high90Very high38 Ų3870.5 Ų70.520%0.19938%0.384CS..Hα-helixtrans-68.3-46169.9173.560.2000111F137 A138 C139 F146 Q148 K149 K154 H155 G156F137-L152 HydrophobicContact CB-CB 4.26Å; F137-L152 HydrophobicContact CB-CD2 3.88Å; A138-L152 WeakPolarHBondContact O-CD2 3Å; C139-L152 HydrophobicContact CB-CD1 3.62Å; F146-L152 HydrophobicContact CB-CB 4.37Å; F146-L152 HydrophobicContact CD2-CB 4.03Å; F146-L152 HydrophobicContact CD2-CD1 3.94Å; F146-L152 HydrophobicContact CE2-CD1 4.09Å; F146-L152 HydrophobicContact CG-CB 4.28Å; Q148-L152 PolarHBondContact O-N 3.42Å; K149-L152 WeakPolarHBondContact O-CA 3.47Å; K149-L152 WeakPolarHBondContact O-CB 3.42Å; K149-L152 PolarHBondContact O-N 3.35Å; L152-K154 PolarHBondContact O-N 2.71Å; L152-H155 CarbonylContact O-C 3.45Å; L152-H155 WeakPolarHBondContact O-CA 3.48Å; L152-H155 WeakPolarHBondContact O-CB 3.32Å; L152-H155 PolarHBondContact O-N 3.37Å; L152-G156 PolarHBondContact O-N 3.35Å
153T89.4Confident90Very high76 Ų7673.5 Ų73.547%0.46639%0.387SS..Hα-helixtrans-57.8-46.9176.2-46.50000111.5K149 H155 G156K149-T153 PolarHBondContact O-N 2.68Å; K149-T153 PolarHBondContact O-OG1 2.63Å; T153-H155 PolarHBondContact O-N 3.29Å; T153-G156 PolarHBondContact O-N 2.91Å
154K88.6Confident90Very high106 Ų10674 Ų7446%0.46138%0.381SS..Hα-helixtrans-66.8-16.9176.5-70.1171.4-177.5178.40112.9S150 L152S150-K154 WeakPolarHBondContact O-CB 3.44Å; S150-K154 VanDerWaalsContact O-CG 3.29Å; S150-K154 WeakPolarHBondContact O-CG 3.46Å; S150-K154 PolarHBondContact O-N 3.04Å; L152-K154 PolarHBondContact O-N 2.71Å
155H90.3Very high90.1Very high18 Ų1870.5 Ų70.58%0.08337%0.368CS..Hα-helixtrans-88-36.7170.4174.340.3000113.6C142 F146 A151 L152 T153 R157 T158 H159C142-H155 PolarHBondContact SG-NE2 3.37Å; F146-H155 HydrophobicContact CE1-CB 4.11Å; F146-H155 HydrophobicContact CE2-CB 4.14Å; F146-H155 AromaticContact CE2-CD2 3.29Å; F146-H155 WeakPolarHBondContact CE2-CD2 3.38Å; F146-H155 AromaticContact CE2-CG 3.95Å; F146-H155 HydrophobicContact CZ-CB 3.62Å; F146-H155 AromaticContact CZ-CD2 3.23Å; F146-H155 WeakPolarHBondContact CZ-CD2 3.42Å; F146-H155 AromaticContact CZ-CG 3.48Å; F146-H155 VanDerWaalsContact CZ-CG 3.48Å; A151-H155 WeakPolarHBondContact O-CB 3.49Å; A151-H155 PolarHBondContact O-N 3.24Å; A151-H155 VanDerWaalsContact O-N 3.15Å; L152-H155 CarbonylContact O-C 3.45Å; L152-H155 WeakPolarHBondContact O-CA 3.48Å; L152-H155 WeakPolarHBondContact O-CB 3.32Å; L152-H155 PolarHBondContact O-N 3.37Å; T153-H155 PolarHBondContact O-N 3.29Å; H155-R157 PolarHBondContact O-N 3.38Å; H155-T158 PolarHBondContact CE1-OG1 3.41Å; H155-T158 PolarHBondContact ND1-OG1 3.02Å; H155-T158 WeakPolarHBondContact O-CB 3.28Å; H155-T158 PolarHBondContact O-N 3.05Å; H155-T158 PolarHBondContact O-OG1 3.29Å; H155-H159 AromaticContact CE1-CE1 3.84Å; H155-H159 AromaticContact CE1-NE2 3.41Å; H155-H159 PolarHBondContact CE1-NE2 3.15Å; H155-H159 AromaticContact NE2-NE2 3.43Å; H155-H159 PolarHBondContact NE2-NE2 2.92Å
156G88.3Confident90.2Very high21 Ų2169 Ų6922%0.21637%0.366CS..Hα-helixtrans-54-37.8177.300000112.5L152 T153 T158 H159 T160L152-G156 PolarHBondContact O-N 3.35Å; T153-G156 PolarHBondContact O-N 2.91Å; G156-T158 PolarHBondContact O-N 3.35Å; G156-H159 PolarHBondContact O-N 2.82Å; G156-T160 PolarHBondContact O-N 2.8Å
157R90.7Very high90.4Very high53 Ų5367.6 Ų67.620%0.236%0.361CS..Hα-helixtrans-54.8-17.3171.3-64.1-176.1178.1161.62.8115.1H155 G161 E162 S175H155-R157 PolarHBondContact O-N 3.38Å; R157-G161 CarbonylContact O-C 3.52Å; R157-G161 WeakPolarHBondContact O-CA 3.4Å; R157-G161 PolarHBondContact O-N 3.42Å; R157-E162 HydrophobicContact CB-CB 4.07Å; R157-E162 HydrophobicContact CG-CB 3.95Å; R157-E162 IonicContact NE-OE2 2.77Å; R157-E162 PolarHBondContact O-N 2.82Å; R157-S175 PolarHBondContact NH1-O 3.38Å
158T88.8Confident90.5Very high86 Ų8671.1 Ų71.153%0.52838%0.383SS..Hα-helixtrans-83.1-15.7174.468.70000113.9H155 G156H155-T158 PolarHBondContact CE1-OG1 3.41Å; H155-T158 PolarHBondContact ND1-OG1 3.02Å; H155-T158 WeakPolarHBondContact O-CB 3.28Å; H155-T158 PolarHBondContact O-N 3.05Å; H155-T158 PolarHBondContact O-OG1 3.29Å; G156-T158 PolarHBondContact O-N 3.35Å
159H89.4Confident90.6Very high75 Ų7570.7 Ų70.735%0.34738%0.381SS..Hα-helixtrans-95.3-45.7174.4-57.4-56.2000110.8C139 E141 C142 H155 G156 G161C139-H159 PolarHBondContact SG-NE2 3.31Å; C139-H159 VanDerWaalsContact SG-NE2 3.44Å; E141-H159 WeakPolarHBondContact OE2-CB 3.45Å; E141-H159 IonicContact OE2-CD2 2.71Å; E141-H159 PolarHBondContact OE2-CD2 3.46Å; E141-H159 IonicContact OE2-CG 3.69Å; C142-H159 PolarHBondContact SG-NE2 3.15Å; C142-H159 VanDerWaalsContact SG-NE2 3.42Å; H155-H159 AromaticContact CE1-CE1 3.84Å; H155-H159 AromaticContact CE1-NE2 3.41Å; H155-H159 PolarHBondContact CE1-NE2 3.15Å; H155-H159 AromaticContact NE2-NE2 3.43Å; H155-H159 PolarHBondContact NE2-NE2 2.92Å; G156-H159 PolarHBondContact O-N 2.82Å; H159-G161 PolarHBondContact O-N 3.46Å
160T88.2Confident90.8Very high83 Ų8365.3 Ų65.351%0.50936%0.361SS..Hα-helixtrans-70.3-17174.367.10000113.6G156 E162G156-T160 PolarHBondContact O-N 2.8Å; T160-E162 WeakPolarHBondContact CB-OE1 3.49Å; T160-E162 PolarHBondContact O-N 2.97Å; T160-E162 WeakPolarHBondContact OG1-CB 3.32Å; T160-E162 VanDerWaalsContact OG1-CD 3.27Å; T160-E162 WeakPolarHBondContact OG1-CG 3.31Å; T160-E162 PolarHBondContact OG1-N 3.45Å; T160-E162 PolarHBondContact OG1-OE1 3.36Å
161G87.8Confident91Very high48 Ų4869.8 Ų69.850%0.49538%0.38SS..  trans76.73.8-176.100000114.3R157 H159 R163R157-G161 CarbonylContact O-C 3.52Å; R157-G161 WeakPolarHBondContact O-CA 3.4Å; R157-G161 PolarHBondContact O-N 3.42Å; H159-G161 PolarHBondContact O-N 3.46Å; G161-R163 WeakPolarHBondContact O-CG 3.48Å; G161-R163 PolarHBondContact O-N 3.43Å
162E90.6Very high91.2Very high96 Ų9672.6 Ų72.645%0.44939%0.386SS..  trans-55124.2-178.9-86.7166.6-125.100113.5R157 T160R157-E162 HydrophobicContact CB-CB 4.07Å; R157-E162 HydrophobicContact CG-CB 3.95Å; R157-E162 IonicContact NE-OE2 2.77Å; R157-E162 PolarHBondContact O-N 2.82Å; T160-E162 WeakPolarHBondContact CB-OE1 3.49Å; T160-E162 PolarHBondContact O-N 2.97Å; T160-E162 WeakPolarHBondContact OG1-CB 3.32Å; T160-E162 VanDerWaalsContact OG1-CD 3.27Å; T160-E162 WeakPolarHBondContact OG1-CG 3.31Å; T160-E162 PolarHBondContact OG1-N 3.45Å; T160-E162 PolarHBondContact OG1-OE1 3.36Å
163R90.3Very high91.2Very high127 Ų12776.1 Ų76.148%0.47940%0.396SS..  trans-132.379.4176.9-68160.274.7178.90.2108.7G161 Y165 R173 F174G161-R163 WeakPolarHBondContact O-CG 3.48Å; G161-R163 PolarHBondContact O-N 3.43Å; R163-Y165 VanDerWaalsContact C-N 3.33Å; R163-Y165 PolarHBondContact O-N 3.42Å; R163-R173 HydrophobicContact CB-CB 3.58Å; R163-R173 PolarHBondContact NE-O 2.85Å; R163-R173 PolarHBondContact NH2-O 3.29Å; R163-R173 PolarHBondContact O-NE 3.23Å; R163-R173 PolarHBondContact O-NH2 3.46Å; R163-R173 VanDerWaalsContact O-NH2 3.16Å; R163-F174 CarbonylContact C-O 3.56Å; R163-F174 WeakPolarHBondContact CA-O 3.4Å
164P91Very high91.3Very high62 Ų6274.3 Ų74.340%0.40338%0.382SS..  trans-65.1-33.8-174.2-23.735.6000113.7E166 F174P164-E166 PolarHBondContact O-N 3.32Å; P164-F174 WeakPolarHBondContact CD-O 3.23Å
165Y92.9Very high91.3Very high69 Ų6970.8 Ų70.827%0.27137%0.371SS..BIsolated β-bridgetrans-90.8104.2-169.5-50.9-86.3000110.7R163 R173 F174 A176 A177R163-Y165 VanDerWaalsContact C-N 3.33Å; R163-Y165 PolarHBondContact O-N 3.42Å; Y165-R173 CarbonylContact O-C 3.57Å; Y165-R173 WeakPolarHBondContact O-CA 3.41Å; Y165-F174 WeakPolarHBondContact CD2-O 3.38Å; Y165-F174 PolarHBondContact N-O 3.15Å; Y165-F174 VanDerWaalsContact N-O 3.08Å; Y165-F174 PolarHBondContact O-N 3.18Å; Y165-A176 VanDerWaalsContact CD2-CA 3.5Å; Y165-A176 VanDerWaalsContact CE2-CA 3.4Å; Y165-A177 HydrophobicContact CD1-CB 3.84Å; Y165-A177 HydrophobicContact CE1-CB 3.68Å; Y165-A177 HydrophobicContact CG-CB 4.41Å
166E94.7Very high91.3Very high98 Ų9870.5 Ų70.546%0.45837%0.372SS..  trans-87.7151.5179.7-163.8146.5147.200112.5P164 R173 L180P164-E166 PolarHBondContact O-N 3.32Å; E166-R173 HydrophobicContact CB-CG 4.07Å; E166-R173 HydrophobicContact CG-CG 3.76Å; E166-R173 WeakPolarHBondContact OE2-CD 3.47Å; E166-R173 VanDerWaalsContact OE2-CG 3.24Å; E166-R173 WeakPolarHBondContact OE2-CG 3.3Å; E166-R173 IonicContact OE2-CZ 3.06Å; E166-R173 IonicContact OE2-NE 3.93Å; E166-R173 PolarHBondContact OE2-NE 3.17Å; E166-R173 IonicContact OE2-NH1 2.7Å; E166-R173 PolarHBondContact OE2-NH1 3.38Å; E166-R173 VanDerWaalsContact OE2-NH1 3.09Å; E166-L180 WeakPolarHBondContact O-CD2 3.46Å
167C94.8Very high91.3Very high4 Ų470.9 Ų70.93%0.02737%0.373CS..  trans-97.1117.7176.6179.90000109.5E169 C170 K172 F174 L180C167-E169 PolarHBondContact O-N 3.07Å; C167-C170 WeakPolarHBondContact CB-O 3.38Å; C167-C170 CarbonylContact O-C 3.4Å; C167-C170 PolarHBondContact O-N 3.27Å; C167-K172 VanDerWaalsContact CB-O 3.23Å; C167-K172 WeakPolarHBondContact CB-O 3.26Å; C167-K172 PolarHBondContact N-O 3.5Å; C167-F174 HydrophobicContact CB-CE2 4.33Å; C167-L180 HydrophobicContact CB-CD1 3.63Å
168P92.8Very high91.2Very high110 Ų11072.2 Ų72.271%0.71439%0.39SS*.THydrogen-bonded Turntrans-65.6-12.1-178.227.2-34.9000113.3
169E93.6Very high91.3Very high72 Ų7271.6 Ų71.634%0.33638%0.384SS..THydrogen-bonded Turntrans-104.8-0.4-175.3-62.9157.3-100.400113.3C167 R184 H187C167-E169 PolarHBondContact O-N 3.07Å; E169-R184 IonicContact OE1-CZ 3.9Å; E169-R184 IonicContact OE1-NE 3.99Å; E169-R184 PolarHBondContact OE1-NE 3.14Å; E169-R184 IonicContact OE1-NH2 3.72Å; E169-R184 PolarHBondContact OE1-NH2 3.36Å; E169-H187 HydrophobicContact CB-CB 4.39Å; E169-H187 PolarHBondContact O-CE1 3.47Å; E169-H187 WeakPolarHBondContact OE2-CB 3.36Å; E169-H187 IonicContact OE2-CG 3.78Å
170C94.6Very high91.5Very high33 Ų3369.3 Ų69.322%0.22337%0.374CS..SBendtrans-179.7158.2164.962.30000111.2C167 K172 R186 H187C167-C170 WeakPolarHBondContact CB-O 3.38Å; C167-C170 CarbonylContact O-C 3.4Å; C167-C170 PolarHBondContact O-N 3.27Å; C170-K172 PolarHBondContact O-N 3.45Å; C170-R186 PolarHBondContact SG-NH2 2.82Å; C170-H187 VanDerWaalsContact SG-CE1 3.55Å; C170-H187 PolarHBondContact SG-NE2 3.08Å
171D92.5Very high91.7Very high153 Ų15373.2 Ų73.282%0.81838%0.379SS*.SBendtrans-54.316.8-179.9-1.2-63.3000118
172K92.9Very high91.9Very high96 Ų9675.4 Ų75.442%0.41738%0.377SS..  trans-91.5107.2178.7-66.4-175.3-179.6-1780111.3C167 C170 F174C167-K172 VanDerWaalsContact CB-O 3.23Å; C167-K172 WeakPolarHBondContact CB-O 3.26Å; C167-K172 PolarHBondContact N-O 3.5Å; C170-K172 PolarHBondContact O-N 3.45Å; K172-F174 HydrophobicContact CB-CE2 4.05Å; K172-F174 HydrophobicContact CB-CZ 4Å; K172-F174 WeakPolarHBondContact O-CD2 3.4Å; K172-F174 WeakPolarHBondContact O-CE2 3.48Å
173R93.4Very high92Very high112 Ų11272.3 Ų72.342%0.42336%0.362SS..  trans-89.7156.4172.2-57.217367138.5-4.1112.6R163 Y165 E166R163-R173 HydrophobicContact CB-CB 3.58Å; R163-R173 PolarHBondContact NE-O 2.85Å; R163-R173 PolarHBondContact NH2-O 3.29Å; R163-R173 PolarHBondContact O-NE 3.23Å; R163-R173 PolarHBondContact O-NH2 3.46Å; R163-R173 VanDerWaalsContact O-NH2 3.16Å; Y165-R173 CarbonylContact O-C 3.57Å; Y165-R173 WeakPolarHBondContact O-CA 3.41Å; E166-R173 HydrophobicContact CB-CG 4.07Å; E166-R173 HydrophobicContact CG-CG 3.76Å; E166-R173 WeakPolarHBondContact OE2-CD 3.47Å; E166-R173 VanDerWaalsContact OE2-CG 3.24Å; E166-R173 WeakPolarHBondContact OE2-CG 3.3Å; E166-R173 IonicContact OE2-CZ 3.06Å; E166-R173 IonicContact OE2-NE 3.93Å; E166-R173 PolarHBondContact OE2-NE 3.17Å; E166-R173 IonicContact OE2-NH1 2.7Å; E166-R173 PolarHBondContact OE2-NH1 3.38Å; E166-R173 VanDerWaalsContact OE2-NH1 3.09Å
174F91.3Very high92.2Very high38 Ų3871.2 Ų71.217%0.16736%0.358CS..BIsolated β-bridgetrans-134.5154.4-178.3-60.3-84.1000112R163 P164 Y165 C167 K172 N179 L180 H183R163-F174 CarbonylContact C-O 3.56Å; R163-F174 WeakPolarHBondContact CA-O 3.4Å; P164-F174 WeakPolarHBondContact CD-O 3.23Å; Y165-F174 WeakPolarHBondContact CD2-O 3.38Å; Y165-F174 PolarHBondContact N-O 3.15Å; Y165-F174 VanDerWaalsContact N-O 3.08Å; Y165-F174 PolarHBondContact O-N 3.18Å; C167-F174 HydrophobicContact CB-CE2 4.33Å; K172-F174 HydrophobicContact CB-CE2 4.05Å; K172-F174 HydrophobicContact CB-CZ 4Å; K172-F174 WeakPolarHBondContact O-CD2 3.4Å; K172-F174 WeakPolarHBondContact O-CE2 3.48Å; F174-N179 HydrophobicContact CB-CB 4.27Å; F174-N179 HydrophobicContact CD1-CB 4.04Å; F174-N179 HydrophobicContact CG-CB 4.37Å; F174-L180 HydrophobicContact CB-CB 4.4Å; F174-L180 HydrophobicContact CD2-CB 3.86Å; F174-L180 HydrophobicContact CD2-CD1 3.87Å; F174-L180 HydrophobicContact CD2-CG 4.45Å; F174-L180 HydrophobicContact CE2-CD1 4.01Å; F174-L180 HydrophobicContact CG-CB 4.31Å; F174-H183 HydrophobicContact CE1-CB 4.18Å; F174-H183 HydrophobicContact CE2-CB 3.84Å; F174-H183 AromaticContact CE2-CD2 3.9Å; F174-H183 AromaticContact CE2-CG 3.74Å; F174-H183 HydrophobicContact CZ-CB 3.57Å; F174-H183 AromaticContact CZ-CD2 3.73Å; F174-H183 AromaticContact CZ-CE1 3.88Å; F174-H183 AromaticContact CZ-CG 3.27Å; F174-H183 AromaticContact CZ-ND1 3.41Å; F174-H183 WeakPolarHBondContact CZ-ND1 3.24Å
175S89.4Confident92.3Very high32 Ų3270.4 Ų70.422%0.22435%0.347CS..SBendtrans-86.5-7.3178.653.20000114.5R157R157-S175 PolarHBondContact NH1-O 3.38Å
176A89Confident92.2Very high12 Ų1273.6 Ų73.610%0.09936%0.359CS..SBendtrans-148140.9177.500000111.8Y165 S178 N179 L180Y165-A176 VanDerWaalsContact CD2-CA 3.5Å; Y165-A176 VanDerWaalsContact CE2-CA 3.4Å; A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 2.8Å; A176-N179 WeakPolarHBondContact O-CB 2.99Å; A176-N179 PolarHBondContact O-N 3.07Å; A176-N179 VanDerWaalsContact O-N 3.14Å; A176-L180 PolarHBondContact O-N 3.49Å
177A89.3Confident92.1Very high29 Ų2972 Ų7224%0.2435%0.351CS..Hα-helixtrans-57-41-179.500000113.4Y165 N179 L180 R181Y165-A177 HydrophobicContact CD1-CB 3.84Å; Y165-A177 HydrophobicContact CE1-CB 3.68Å; Y165-A177 HydrophobicContact CG-CB 4.41Å; A177-N179 VanDerWaalsContact C-N 3.26Å; A177-N179 PolarHBondContact O-N 3.23Å; A177-L180 CarbonylContact O-C 3.52Å; A177-L180 WeakPolarHBondContact O-CA 3.38Å; A177-L180 WeakPolarHBondContact O-CB 3.41Å; A177-L180 PolarHBondContact O-N 3.37Å; A177-R181 PolarHBondContact O-N 3.27Å
178S88.9Confident92Very high82 Ų8275.7 Ų75.757%0.57337%0.373SS*.Hα-helixtrans-60.7-32.7178.256.60000113.5A176 Q182A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 2.8Å; S178-Q182 WeakPolarHBondContact O-CB 3.5Å; S178-Q182 PolarHBondContact O-N 3.43Å
179N91.1Very high91.9Very high73 Ų7372 Ų7239%0.3936%0.355SS..Hα-helixtrans-71.4-36.1174-69.5-28.9000111.5F174 A176 A177 H183F174-N179 HydrophobicContact CB-CB 4.27Å; F174-N179 HydrophobicContact CD1-CB 4.04Å; F174-N179 HydrophobicContact CG-CB 4.37Å; A176-N179 WeakPolarHBondContact O-CB 2.99Å; A176-N179 PolarHBondContact O-N 3.07Å; A176-N179 VanDerWaalsContact O-N 3.14Å; A177-N179 VanDerWaalsContact C-N 3.26Å; A177-N179 PolarHBondContact O-N 3.23Å; N179-H183 WeakPolarHBondContact O-CB 3.44Å; N179-H183 PolarHBondContact O-N 2.89Å
180L93.5Very high91.9Very high27 Ų2772.4 Ų72.414%0.14136%0.357CS..Hα-helixtrans-66.8-48.217217261.6000111.4E166 C167 F174 A176 A177 Q182 H183 R184E166-L180 WeakPolarHBondContact O-CD2 3.46Å; C167-L180 HydrophobicContact CB-CD1 3.63Å; F174-L180 HydrophobicContact CB-CB 4.4Å; F174-L180 HydrophobicContact CD2-CB 3.86Å; F174-L180 HydrophobicContact CD2-CD1 3.87Å; F174-L180 HydrophobicContact CD2-CG 4.45Å; F174-L180 HydrophobicContact CE2-CD1 4.01Å; F174-L180 HydrophobicContact CG-CB 4.31Å; A176-L180 PolarHBondContact O-N 3.49Å; A177-L180 CarbonylContact O-C 3.52Å; A177-L180 WeakPolarHBondContact O-CA 3.38Å; A177-L180 WeakPolarHBondContact O-CB 3.41Å; A177-L180 PolarHBondContact O-N 3.37Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 3.16Å; L180-H183 CarbonylContact O-C 3.15Å; L180-H183 WeakPolarHBondContact O-CA 3.29Å; L180-H183 VanDerWaalsContact O-CB 3.31Å; L180-H183 WeakPolarHBondContact O-CB 3.44Å; L180-H183 PolarHBondContact O-N 2.86Å; L180-R184 HydrophobicContact CD1-CG 4.06Å; L180-R184 WeakPolarHBondContact O-CG 3.46Å; L180-R184 PolarHBondContact O-N 3.09Å
181R91.6Very high91.8Very high164 Ų16475.8 Ų75.862%0.61937%0.368SS*.Hα-helixtrans-55.7-44.8175.8-172.2177.1179.8-174.62111.1A177 H183 R184A177-R181 PolarHBondContact O-N 3.27Å; R181-H183 VanDerWaalsContact C-N 3.32Å; R181-H183 PolarHBondContact O-N 2.96Å; R181-R184 PolarHBondContact O-N 2.77Å
182Q91.7Very high91.8Very high94 Ų9471 Ų7144%0.43935%0.345SS..Hα-helixtrans-64.3-34.5173.2-172.1-174.7100.200112.8S178 L180 Q204S178-Q182 WeakPolarHBondContact O-CB 3.5Å; S178-Q182 PolarHBondContact O-N 3.43Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 3.16Å; Q182-Q204 HydrophobicContact CG-CG 4.2Å
183H93.7Very high91.9Very high31 Ų3170.1 Ų70.114%0.14434%0.34CS..Hα-helixtrans-68.9-41.9177.9-169.277.8000113F174 N179 L180 R181 R185 R186 H187F174-H183 HydrophobicContact CE1-CB 4.18Å; F174-H183 HydrophobicContact CE2-CB 3.84Å; F174-H183 AromaticContact CE2-CD2 3.9Å; F174-H183 AromaticContact CE2-CG 3.74Å; F174-H183 HydrophobicContact CZ-CB 3.57Å; F174-H183 AromaticContact CZ-CD2 3.73Å; F174-H183 AromaticContact CZ-CE1 3.88Å; F174-H183 AromaticContact CZ-CG 3.27Å; F174-H183 AromaticContact CZ-ND1 3.41Å; F174-H183 WeakPolarHBondContact CZ-ND1 3.24Å; N179-H183 WeakPolarHBondContact O-CB 3.44Å; N179-H183 PolarHBondContact O-N 2.89Å; L180-H183 CarbonylContact O-C 3.15Å; L180-H183 WeakPolarHBondContact O-CA 3.29Å; L180-H183 VanDerWaalsContact O-CB 3.31Å; L180-H183 WeakPolarHBondContact O-CB 3.44Å; L180-H183 PolarHBondContact O-N 2.86Å; R181-H183 VanDerWaalsContact C-N 3.32Å; R181-H183 PolarHBondContact O-N 2.96Å; H183-R185 PolarHBondContact O-N 2.94Å; H183-R186 PolarHBondContact CE1-NE 3.24Å; H183-R186 PolarHBondContact CE1-NH2 3.09Å; H183-R186 PolarHBondContact NE2-NE 2.7Å; H183-R186 PolarHBondContact NE2-NH2 2.91Å; H183-R186 WeakPolarHBondContact O-CB 3.41Å; H183-R186 PolarHBondContact O-N 3.49Å; H183-H187 AromaticContact CD2-NE2 3.79Å; H183-H187 AromaticContact NE2-NE2 3.57Å
184R93.3Very high92Very high104 Ų10466.9 Ų66.939%0.39234%0.337SS..Hα-helixtrans-58.1-30.5-178-70-166.768.3-130.7-11.9113E169 L180 R181 R186 H187 T188E169-R184 IonicContact OE1-CZ 3.9Å; E169-R184 IonicContact OE1-NE 3.99Å; E169-R184 PolarHBondContact OE1-NE 3.14Å; E169-R184 IonicContact OE1-NH2 3.72Å; E169-R184 PolarHBondContact OE1-NH2 3.36Å; L180-R184 HydrophobicContact CD1-CG 4.06Å; L180-R184 WeakPolarHBondContact O-CG 3.46Å; L180-R184 PolarHBondContact O-N 3.09Å; R181-R184 PolarHBondContact O-N 2.77Å; R184-R186 PolarHBondContact O-N 3.12Å; R184-H187 PolarHBondContact O-N 3.34Å; R184-T188 PolarHBondContact O-N 3.02Å; R184-T188 PolarHBondContact O-OG1 3.18Å
185R93.2Very high92.2Very high45 Ų4565.1 Ų65.117%0.1733%0.329CS..Hα-helixtrans-53.4-21.9170.4-61-164161.4157.5-3.7115H183 T188 G189 E190 A203H183-R185 PolarHBondContact O-N 2.94Å; R185-T188 WeakPolarHBondContact CA-OG1 3.35Å; R185-G189 CarbonylContact O-C 3.57Å; R185-G189 WeakPolarHBondContact O-CA 3.41Å; R185-G189 PolarHBondContact O-N 2.91Å; R185-G189 VanDerWaalsContact O-N 3.15Å; R185-E190 HydrophobicContact CB-CB 4.38Å; R185-E190 HydrophobicContact CG-CB 4.19Å; R185-E190 WeakPolarHBondContact CG-OE2 3.33Å; R185-E190 IonicContact CZ-OE1 3.56Å; R185-E190 IonicContact CZ-OE2 3.46Å; R185-E190 IonicContact NE-OE1 3.7Å; R185-E190 PolarHBondContact NE-OE1 2.9Å; R185-E190 IonicContact NE-OE2 3.91Å; R185-E190 PolarHBondContact NE-OE2 2.99Å; R185-E190 IonicContact NH2-OE1 3.43Å; R185-E190 PolarHBondContact NH2-OE1 3.24Å; R185-E190 IonicContact NH2-OE2 2.7Å; R185-E190 PolarHBondContact O-N 2.77Å; R185-A203 HydrophobicContact CB-CB 4.11Å; R185-A203 WeakPolarHBondContact CD-O 3.32Å; R185-A203 PolarHBondContact NH1-O 2.87Å; R185-A203 VanDerWaalsContact NH1-O 3.08Å
186R91.3Very high92.4Very high137 Ų13768.2 Ų68.252%0.51736%0.357SS..Hα-helixtrans-71.5-30.5174.3-173.718065.8102.70.5112.7C170 H183 R184C170-R186 PolarHBondContact SG-NH2 2.82Å; H183-R186 PolarHBondContact CE1-NE 3.24Å; H183-R186 PolarHBondContact CE1-NH2 3.09Å; H183-R186 PolarHBondContact NE2-NE 2.7Å; H183-R186 PolarHBondContact NE2-NH2 2.91Å; H183-R186 WeakPolarHBondContact O-CB 3.41Å; H183-R186 PolarHBondContact O-N 3.49Å; R184-R186 PolarHBondContact O-N 3.12Å
187H92.9Very high92.5Very high65 Ų6573.6 Ų73.630%0.30138%0.38SS..Hα-helixtrans-92.3-51-178.7-62.5-99.4000110.6E169 C170 H183 R184 G189E169-H187 HydrophobicContact CB-CB 4.39Å; E169-H187 PolarHBondContact O-CE1 3.47Å; E169-H187 WeakPolarHBondContact OE2-CB 3.36Å; E169-H187 IonicContact OE2-CG 3.78Å; C170-H187 VanDerWaalsContact SG-CE1 3.55Å; C170-H187 PolarHBondContact SG-NE2 3.08Å; H183-H187 AromaticContact CD2-NE2 3.79Å; H183-H187 AromaticContact NE2-NE2 3.57Å; R184-H187 PolarHBondContact O-N 3.34Å; H187-G189 PolarHBondContact O-N 3Å
188T91.6Very high92.7Very high80 Ų8075.1 Ų75.149%0.49139%0.388SS..Hα-helixtrans-66.4-16.517664.10000113.6R184 R185 E190R184-T188 PolarHBondContact O-N 3.02Å; R184-T188 PolarHBondContact O-OG1 3.18Å; R185-T188 WeakPolarHBondContact CA-OG1 3.35Å; T188-E190 PolarHBondContact O-N 2.71Å; T188-E190 WeakPolarHBondContact OG1-CB 3.28Å; T188-E190 PolarHBondContact OG1-N 2.86Å
189G91.8Very high92.8Very high32 Ų3274 Ų7433%0.3339%0.389SS..  trans73.32.4-17700000114.8R185 H187 K191R185-G189 CarbonylContact O-C 3.57Å; R185-G189 WeakPolarHBondContact O-CA 3.41Å; R185-G189 PolarHBondContact O-N 2.91Å; R185-G189 VanDerWaalsContact O-N 3.15Å; H187-G189 PolarHBondContact O-N 3Å; G189-K191 WeakPolarHBondContact O-CD 3.46Å; G189-K191 VanDerWaalsContact O-CE 3.3Å; G189-K191 WeakPolarHBondContact O-CE 3.42Å; G189-K191 WeakPolarHBondContact O-CG 3.33Å; G189-K191 PolarHBondContact O-N 3.17Å
190E92.8Very high92.9Very high81 Ų8177.9 Ų77.938%0.37940%0.398SS..  trans-53.3121.5-175.5-169.9-148.4140.500112.2R185 T188 P192 A203R185-E190 HydrophobicContact CB-CB 4.38Å; R185-E190 HydrophobicContact CG-CB 4.19Å; R185-E190 WeakPolarHBondContact CG-OE2 3.33Å; R185-E190 IonicContact CZ-OE1 3.56Å; R185-E190 IonicContact CZ-OE2 3.46Å; R185-E190 IonicContact NE-OE1 3.7Å; R185-E190 PolarHBondContact NE-OE1 2.9Å; R185-E190 IonicContact NE-OE2 3.91Å; R185-E190 PolarHBondContact NE-OE2 2.99Å; R185-E190 IonicContact NH2-OE1 3.43Å; R185-E190 PolarHBondContact NH2-OE1 3.24Å; R185-E190 IonicContact NH2-OE2 2.7Å; R185-E190 PolarHBondContact O-N 2.77Å; T188-E190 PolarHBondContact O-N 2.71Å; T188-E190 WeakPolarHBondContact OG1-CB 3.28Å; T188-E190 PolarHBondContact OG1-N 2.86Å; E190-P192 HydrophobicContact CG-CG 4.25Å; E190-P192 WeakPolarHBondContact OE1-CG 3.38Å; E190-A203 WeakPolarHBondContact O-CB 3.22Å
191K93.6Very high93Very high105 Ų10583.4 Ų83.446%0.45742%0.417SS..  trans-13481.6-179.7-68.9154.5-162.41510110.4G189 Y193 R201 F202 A203G189-K191 WeakPolarHBondContact O-CD 3.46Å; G189-K191 VanDerWaalsContact O-CE 3.3Å; G189-K191 WeakPolarHBondContact O-CE 3.42Å; G189-K191 WeakPolarHBondContact O-CG 3.33Å; G189-K191 PolarHBondContact O-N 3.17Å; K191-Y193 VanDerWaalsContact C-N 3.35Å; K191-Y193 PolarHBondContact O-N 3.23Å; K191-R201 HydrophobicContact CB-CB 3.57Å; K191-R201 HydrophobicContact CD-CB 4.23Å; K191-R201 HydrophobicContact CG-CB 4.42Å; K191-R201 PolarHBondContact O-NE 3.25Å; K191-R201 PolarHBondContact O-NH2 3.38Å; K191-R201 VanDerWaalsContact O-NH2 3.15Å; K191-F202 CarbonylContact C-O 3.56Å; K191-F202 VanDerWaalsContact C-O 3.3Å; K191-F202 VanDerWaalsContact CA-O 3.26Å; K191-F202 WeakPolarHBondContact CA-O 3.22Å; K191-A203 HydrophobicContact CG-CB 4.36Å
192P92.5Very high93.1Very high51 Ų5177.1 Ų77.133%0.33139%0.394SS..  trans-59.6-44.8-176.7-26.136.6000112.4E190 A194 R201E190-P192 HydrophobicContact CG-CG 4.25Å; E190-P192 WeakPolarHBondContact OE1-CG 3.38Å; P192-A194 PolarHBondContact O-N 3.2Å; P192-A194 VanDerWaalsContact O-N 3.15Å; P192-R201 PolarHBondContact O-NH2 2.8Å
193Y94.8Very high93.2Very high78 Ų7874 Ų7431%0.30639%0.385SS..EExtended strand (participates in β ladder)trans-80.1100.7-170.4-47.1-77.7000111.1K191 R201 F202 Q204 Y208K191-Y193 VanDerWaalsContact C-N 3.35Å; K191-Y193 PolarHBondContact O-N 3.23Å; Y193-R201 CarbonylContact O-C 3.57Å; Y193-R201 WeakPolarHBondContact O-CA 3.11Å; Y193-F202 WeakPolarHBondContact CD2-O 3.42Å; Y193-F202 PolarHBondContact N-O 3.01Å; Y193-F202 PolarHBondContact O-N 2.79Å; Y193-Q204 VanDerWaalsContact CD2-C 3.43Å; Y193-Y208 HydrophobicContact CD1-CD1 4.47Å; Y193-Y208 HydrophobicContact CG-CD1 4.49Å
194A95.2Very high93Very high44 Ų4475.1 Ų75.136%0.36439%0.39SS..EExtended strand (participates in β ladder)trans-96.2141175.900000111.5P192 R201 Y208P192-A194 PolarHBondContact O-N 3.2Å; P192-A194 VanDerWaalsContact O-N 3.15Å; A194-R201 HydrophobicContact CB-CG 3.97Å; A194-Y208 WeakPolarHBondContact O-CE2 3.35Å; A194-Y208 PolarHBondContact O-OH 3.49Å
195C94.6Very high93Very high1 Ų173.2 Ų73.21%0.00739%0.393CS..  trans-94.7114.5175.2-173.60000111.3H197 C198 G199 R200 Y208 H215C195-H197 VanDerWaalsContact C-N 3.3Å; C195-H197 PolarHBondContact O-N 3.04Å; C195-C198 PolarHBondContact O-N 3.33Å; C195-G199 WeakPolarHBondContact O-CA 3.43Å; C195-G199 PolarHBondContact O-N 3.39Å; C195-R200 WeakPolarHBondContact CB-O 3.49Å; C195-R200 PolarHBondContact N-O 3.31Å; C195-Y208 HydrophobicContact CB-CD2 4.45Å; C195-Y208 HydrophobicContact CB-CE2 3.82Å; C195-H215 PolarHBondContact SG-NE2 3.33Å
196A93.4Very high92.8Very high97 Ų9774.5 Ų74.580%0.80241%0.408SS*.THydrogen-bonded Turntrans-55.6-41.4179.600000113C198A196-C198 PolarHBondContact O-N 2.81Å; A196-C198 VanDerWaalsContact O-N 3.16Å
197H91.2Very high92.8Very high126 Ų12671.2 Ų71.258%0.58340%0.401SS*.THydrogen-bonded Turntrans-67.6-13.9-176.6-54.2-64.8000115.5C195 H215C195-H197 VanDerWaalsContact C-N 3.3Å; C195-H197 PolarHBondContact O-N 3.04Å; H197-H215 AromaticContact CD2-CD2 3.73Å; H197-H215 AromaticContact CD2-CG 3.87Å
198C93.3Very high92.8Very high61 Ų6170.8 Ų70.841%0.41240%0.397SS..THydrogen-bonded Turntrans-156.716.7-177.666.40000115.8C195 A196 R200 H211 H215C195-C198 PolarHBondContact O-N 3.33Å; A196-C198 PolarHBondContact O-N 2.81Å; A196-C198 VanDerWaalsContact O-N 3.16Å; C198-R200 PolarHBondContact O-N 3.14Å; C198-H211 PolarHBondContact SG-NE2 3.46Å; C198-H211 VanDerWaalsContact SG-NE2 3.37Å; C198-H215 WeakPolarHBondContact CB-CE1 3.11Å; C198-H215 PolarHBondContact SG-CE1 2.84Å; C198-H215 PolarHBondContact SG-NE2 3.46Å
199G91.8Very high92.8Very high57 Ų5769.4 Ų69.459%0.58839%0.394SS*.  trans63.4-4.7-178.200000116.1C195 R201C195-G199 WeakPolarHBondContact O-CA 3.43Å; C195-G199 PolarHBondContact O-N 3.39Å; G199-R201 WeakPolarHBondContact O-CG 3.36Å; G199-R201 PolarHBondContact O-N 3.03Å
200R94.1Very high92.7Very high155 Ų15571.8 Ų71.859%0.58540%0.396SS*.  trans-71.8125-168.1-169.4174.3-178.31654.2111.7C195 C198 F202C195-R200 WeakPolarHBondContact CB-O 3.49Å; C195-R200 PolarHBondContact N-O 3.31Å; C198-R200 PolarHBondContact O-N 3.14Å; R200-F202 HydrophobicContact CB-CE2 4.09Å; R200-F202 HydrophobicContact CB-CZ 4.48Å; R200-F202 HydrophobicContact CG-CE2 3.77Å; R200-F202 HydrophobicContact CG-CZ 3.81Å; R200-F202 WeakPolarHBondContact O-CD2 3.23Å; R200-F202 VanDerWaalsContact O-CE2 3.31Å; R200-F202 WeakPolarHBondContact O-CE2 3.24Å
201R94.7Very high92.7Very high143 Ų14368.9 Ų68.954%0.5438%0.383SS..EExtended strand (participates in β ladder)trans-103146.5-176.5-48.4-170.867.2130.34.1113.8K191 P192 Y193 A194 G199K191-R201 HydrophobicContact CB-CB 3.57Å; K191-R201 HydrophobicContact CD-CB 4.23Å; K191-R201 HydrophobicContact CG-CB 4.42Å; K191-R201 PolarHBondContact O-NE 3.25Å; K191-R201 PolarHBondContact O-NH2 3.38Å; K191-R201 VanDerWaalsContact O-NH2 3.15Å; P192-R201 PolarHBondContact O-NH2 2.8Å; Y193-R201 CarbonylContact O-C 3.57Å; Y193-R201 WeakPolarHBondContact O-CA 3.11Å; A194-R201 HydrophobicContact CB-CG 3.97Å; G199-R201 WeakPolarHBondContact O-CG 3.36Å; G199-R201 PolarHBondContact O-N 3.03Å
202F93.5Very high92.6Very high32 Ų3266.3 Ų66.314%0.1437%0.374CS..EExtended strand (participates in β ladder)trans-132.3147.4-176.3-59.6-98.6000111.6K191 Y193 R200 N207 Y208 H211K191-F202 CarbonylContact C-O 3.56Å; K191-F202 VanDerWaalsContact C-O 3.3Å; K191-F202 VanDerWaalsContact CA-O 3.26Å; K191-F202 WeakPolarHBondContact CA-O 3.22Å; Y193-F202 WeakPolarHBondContact CD2-O 3.42Å; Y193-F202 PolarHBondContact N-O 3.01Å; Y193-F202 PolarHBondContact O-N 2.79Å; R200-F202 HydrophobicContact CB-CE2 4.09Å; R200-F202 HydrophobicContact CB-CZ 4.48Å; R200-F202 HydrophobicContact CG-CE2 3.77Å; R200-F202 HydrophobicContact CG-CZ 3.81Å; R200-F202 WeakPolarHBondContact O-CD2 3.23Å; R200-F202 VanDerWaalsContact O-CE2 3.31Å; R200-F202 WeakPolarHBondContact O-CE2 3.24Å; F202-N207 HydrophobicContact CD1-CB 4.1Å; F202-Y208 AromaticContact CD2-CD2 3.99Å; F202-Y208 HydrophobicContact CD2-CD2 3.99Å; F202-Y208 HydrophobicContact CE2-CD2 4.38Å; F202-H211 HydrophobicContact CE1-CB 3.92Å; F202-H211 HydrophobicContact CE2-CB 4.01Å; F202-H211 AromaticContact CE2-CD2 3.22Å; F202-H211 WeakPolarHBondContact CE2-CD2 3.44Å; F202-H211 AromaticContact CE2-CG 3.75Å; F202-H211 HydrophobicContact CZ-CB 3.47Å; F202-H211 VanDerWaalsContact CZ-CB 3.47Å; F202-H211 AromaticContact CZ-CD2 3.28Å; F202-H211 WeakPolarHBondContact CZ-CD2 3.49Å; F202-H211 AromaticContact CZ-CG 3.31Å
203A93.1Very high92.5Very high29 Ų2967 Ų6724%0.2437%0.37CS..SBendtrans-86.3-8.3178.700000114.4R185 E190 K191R185-A203 HydrophobicContact CB-CB 4.11Å; R185-A203 WeakPolarHBondContact CD-O 3.32Å; R185-A203 PolarHBondContact NH1-O 2.87Å; R185-A203 VanDerWaalsContact NH1-O 3.08Å; E190-A203 WeakPolarHBondContact O-CB 3.22Å; K191-A203 HydrophobicContact CG-CB 4.36Å
204Q91.4Very high92.3Very high54 Ų5468.2 Ų68.225%0.25239%0.385SS..SBendtrans-139.7135-175.3-61.8176.8-1.300110.3Q182 Y193 S206 N207 Y208Q182-Q204 HydrophobicContact CG-CG 4.2Å; Y193-Q204 VanDerWaalsContact CD2-C 3.43Å; Q204-S206 VanDerWaalsContact C-N 3.34Å; Q204-S206 PolarHBondContact O-N 3.18Å; Q204-N207 HydrophobicContact CB-CB 4.5Å; Q204-N207 PolarHBondContact O-N 3.46Å; Q204-N207 PolarHBondContact OE1-ND2 3.39Å; Q204-Y208 PolarHBondContact O-N 3.45Å
205S91.9Very high92.1Very high65 Ų6570.1 Ų70.146%0.45539%0.386SS..Hα-helixtrans-62.6-37.1-18049.90000113N207 Y208 A209S205-N207 PolarHBondContact O-N 3.35Å; S205-Y208 WeakPolarHBondContact O-CB 3.47Å; S205-Y208 PolarHBondContact O-N 3.31Å; S205-A209 WeakPolarHBondContact O-CB 3.44Å; S205-A209 PolarHBondContact O-N 3.48Å
206S89.3Confident91.8Very high71 Ų7174.1 Ų74.150%0.49741%0.411SS..Hα-helixtrans-58.5-44.8175.951.40000113Q204 Q210Q204-S206 VanDerWaalsContact C-N 3.34Å; Q204-S206 PolarHBondContact O-N 3.18Å; S206-Q210 WeakPolarHBondContact O-CB 3.32Å; S206-Q210 PolarHBondContact O-N 2.99Å
207N91.5Very high91.6Very high68 Ų6871.1 Ų71.136%0.36439%0.39SS..Hα-helixtrans-71.8-32.5177.9-63.6-32.8000111.7F202 Q204 S205 H211F202-N207 HydrophobicContact CD1-CB 4.1Å; Q204-N207 HydrophobicContact CB-CB 4.5Å; Q204-N207 PolarHBondContact O-N 3.46Å; Q204-N207 PolarHBondContact OE1-ND2 3.39Å; S205-N207 PolarHBondContact O-N 3.35Å; N207-H211 WeakPolarHBondContact O-CB 3.44Å; N207-H211 PolarHBondContact O-N 3.44Å
208Y93.4Very high91.6Very high57 Ų5769.2 Ų69.222%0.22438%0.381CS..Hα-helixtrans-66.3-50.8172.9173-123.7000111.7Y193 A194 C195 F202 Q204 S205 Q210 H211 L212Y193-Y208 HydrophobicContact CD1-CD1 4.47Å; Y193-Y208 HydrophobicContact CG-CD1 4.49Å; A194-Y208 WeakPolarHBondContact O-CE2 3.35Å; A194-Y208 PolarHBondContact O-OH 3.49Å; C195-Y208 HydrophobicContact CB-CD2 4.45Å; C195-Y208 HydrophobicContact CB-CE2 3.82Å; F202-Y208 AromaticContact CD2-CD2 3.99Å; F202-Y208 HydrophobicContact CD2-CD2 3.99Å; F202-Y208 HydrophobicContact CE2-CD2 4.38Å; Q204-Y208 PolarHBondContact O-N 3.45Å; S205-Y208 WeakPolarHBondContact O-CB 3.47Å; S205-Y208 PolarHBondContact O-N 3.31Å; Y208-Q210 VanDerWaalsContact C-N 3.31Å; Y208-Q210 PolarHBondContact O-N 3.36Å; Y208-H211 WeakPolarHBondContact O-CA 3.41Å; Y208-H211 WeakPolarHBondContact O-CB 3.32Å; Y208-H211 PolarHBondContact O-N 3.32Å; Y208-L212 HydrophobicContact CD2-CG 4.44Å; Y208-L212 HydrophobicContact CE1-CD1 4.05Å; Y208-L212 HydrophobicContact CE2-CD1 4.28Å; Y208-L212 HydrophobicContact CE2-CD2 3.74Å; Y208-L212 HydrophobicContact CE2-CG 3.96Å; Y208-L212 PolarHBondContact O-N 2.97Å
209A90.5Very high91.5Very high51 Ų5172.2 Ų72.242%0.42139%0.387SS..Hα-helixtrans-60.8-38176.200000112.3S205 H211 L212S205-A209 WeakPolarHBondContact O-CB 3.44Å; S205-A209 PolarHBondContact O-N 3.48Å; A209-H211 VanDerWaalsContact C-N 3.31Å; A209-H211 PolarHBondContact O-N 2.84Å; A209-L212 PolarHBondContact O-N 3.17Å
210Q89.5Confident91.5Very high81 Ų8173 Ų7338%0.37938%0.381SS..Hα-helixtrans-64.8-34.7170.8-179.5170.859.100112.4S206 Y208S206-Q210 WeakPolarHBondContact O-CB 3.32Å; S206-Q210 PolarHBondContact O-N 2.99Å; Y208-Q210 VanDerWaalsContact C-N 3.31Å; Y208-Q210 PolarHBondContact O-N 3.36Å
211H92.5Very high91.5Very high21 Ų2169.2 Ų69.210%0.09737%0.368CS..Hα-helixtrans-70-37.1177.6170.646.1000112.9C198 F202 N207 Y208 A209 R213 V214 H215C198-H211 PolarHBondContact SG-NE2 3.46Å; C198-H211 VanDerWaalsContact SG-NE2 3.37Å; F202-H211 HydrophobicContact CE1-CB 3.92Å; F202-H211 HydrophobicContact CE2-CB 4.01Å; F202-H211 AromaticContact CE2-CD2 3.22Å; F202-H211 WeakPolarHBondContact CE2-CD2 3.44Å; F202-H211 AromaticContact CE2-CG 3.75Å; F202-H211 HydrophobicContact CZ-CB 3.47Å; F202-H211 VanDerWaalsContact CZ-CB 3.47Å; F202-H211 AromaticContact CZ-CD2 3.28Å; F202-H211 WeakPolarHBondContact CZ-CD2 3.49Å; F202-H211 AromaticContact CZ-CG 3.31Å; N207-H211 WeakPolarHBondContact O-CB 3.44Å; N207-H211 PolarHBondContact O-N 3.44Å; Y208-H211 WeakPolarHBondContact O-CA 3.41Å; Y208-H211 WeakPolarHBondContact O-CB 3.32Å; Y208-H211 PolarHBondContact O-N 3.32Å; A209-H211 VanDerWaalsContact C-N 3.31Å; A209-H211 PolarHBondContact O-N 2.84Å; H211-R213 PolarHBondContact O-N 3.23Å; H211-R213 VanDerWaalsContact O-N 3.12Å; H211-V214 VanDerWaalsContact O-CB 3.22Å; H211-V214 WeakPolarHBondContact O-CB 3.27Å; H211-V214 WeakPolarHBondContact O-CG2 3.38Å; H211-V214 PolarHBondContact O-N 2.82Å; H211-H215 AromaticContact CD2-NE2 3.66Å; H211-H215 AromaticContact CE1-NE2 3.04Å; H211-H215 PolarHBondContact CE1-NE2 2.91Å; H211-H215 AromaticContact NE2-NE2 2.63Å; H211-H215 PolarHBondContact NE2-NE2 2.91Å
212L91.5Very high91.5Very high50 Ų5065.3 Ų65.326%0.26237%0.366SS..Hα-helixtrans-55.9-31.1178.6-68.9178.3000112.8Y208 A209 V214 H215 T216Y208-L212 HydrophobicContact CD2-CG 4.44Å; Y208-L212 HydrophobicContact CE1-CD1 4.05Å; Y208-L212 HydrophobicContact CE2-CD1 4.28Å; Y208-L212 HydrophobicContact CE2-CD2 3.74Å; Y208-L212 HydrophobicContact CE2-CG 3.96Å; Y208-L212 PolarHBondContact O-N 2.97Å; A209-L212 PolarHBondContact O-N 3.17Å; L212-V214 PolarHBondContact O-N 3.33Å; L212-V214 VanDerWaalsContact O-N 3.09Å; L212-H215 PolarHBondContact O-N 2.85Å; L212-T216 PolarHBondContact O-N 3Å; L212-T216 VanDerWaalsContact O-N 3.09Å
213R91.6Very high91.6Very high65 Ų6563.8 Ų63.825%0.24536%0.359CS..THydrogen-bonded Turntrans-60.5-15.5173-58.5-176.4-179.7147.74.5115.1H211 T216 G217 E218 G231H211-R213 PolarHBondContact O-N 3.23Å; H211-R213 VanDerWaalsContact O-N 3.12Å; R213-T216 WeakPolarHBondContact CA-OG1 3.34Å; R213-G217 CarbonylContact O-C 3.49Å; R213-G217 WeakPolarHBondContact O-CA 3.32Å; R213-G217 PolarHBondContact O-N 3.49Å; R213-G217 VanDerWaalsContact O-N 3.14Å; R213-E218 HydrophobicContact CB-CB 4.12Å; R213-E218 HydrophobicContact CG-CB 4.02Å; R213-E218 IonicContact NE-OE2 3.58Å; R213-E218 PolarHBondContact O-N 2.91Å; R213-G231 WeakPolarHBondContact CD-O 3.43Å; R213-G231 PolarHBondContact NH1-O 3.05Å
214V90.5Very high91.5Very high105 Ų10567.5 Ų67.564%0.63638%0.381SS*.THydrogen-bonded Turntrans-73.8-31.4172-178.70000111H211 L212H211-V214 VanDerWaalsContact O-CB 3.22Å; H211-V214 WeakPolarHBondContact O-CB 3.27Å; H211-V214 WeakPolarHBondContact O-CG2 3.38Å; H211-V214 PolarHBondContact O-N 2.82Å; L212-V214 PolarHBondContact O-N 3.33Å; L212-V214 VanDerWaalsContact O-N 3.09Å
215H90.9Very high91.6Very high83 Ų8368.6 Ų68.638%0.38439%0.388SS..THydrogen-bonded Turntrans-88.4-44.5179.4-59-63.7000111.8C195 H197 C198 H211 L212 G217C195-H215 PolarHBondContact SG-NE2 3.33Å; H197-H215 AromaticContact CD2-CD2 3.73Å; H197-H215 AromaticContact CD2-CG 3.87Å; C198-H215 WeakPolarHBondContact CB-CE1 3.11Å; C198-H215 PolarHBondContact SG-CE1 2.84Å; C198-H215 PolarHBondContact SG-NE2 3.46Å; H211-H215 AromaticContact CD2-NE2 3.66Å; H211-H215 AromaticContact CE1-NE2 3.04Å; H211-H215 PolarHBondContact CE1-NE2 2.91Å; H211-H215 AromaticContact NE2-NE2 2.63Å; H211-H215 PolarHBondContact NE2-NE2 2.91Å; L212-H215 PolarHBondContact O-N 2.85Å; H215-G217 PolarHBondContact O-N 2.89Å
216T89.1Confident91.7Very high86 Ų8668.6 Ų68.653%0.52839%0.388SS..SBendtrans-73.5-12.1175.163.10000113.4L212 R213 E218L212-T216 PolarHBondContact O-N 3Å; L212-T216 VanDerWaalsContact O-N 3.09Å; R213-T216 WeakPolarHBondContact CA-OG1 3.34Å; T216-E218 PolarHBondContact O-N 3.33Å; T216-E218 WeakPolarHBondContact OG1-CG 3.31Å
217G88.8Confident91.8Very high34 Ų3468 Ų6835%0.35139%0.392SS..  trans720.5-17700000115.2R213 H215 K219R213-G217 CarbonylContact O-C 3.49Å; R213-G217 WeakPolarHBondContact O-CA 3.32Å; R213-G217 PolarHBondContact O-N 3.49Å; R213-G217 VanDerWaalsContact O-N 3.14Å; H215-G217 PolarHBondContact O-N 2.89Å; G217-K219 VanDerWaalsContact O-CE 3.27Å; G217-K219 WeakPolarHBondContact O-CE 3.16Å; G217-K219 PolarHBondContact O-NZ 3.45Å
218E90.7Very high91.9Very high86 Ų8672.3 Ų72.340%0.40240%0.404SS..  trans-54.4132.7-176.3-85.3-161.3129.400113.5R213 T216R213-E218 HydrophobicContact CB-CB 4.12Å; R213-E218 HydrophobicContact CG-CB 4.02Å; R213-E218 IonicContact NE-OE2 3.58Å; R213-E218 PolarHBondContact O-N 2.91Å; T216-E218 PolarHBondContact O-N 3.33Å; T216-E218 WeakPolarHBondContact OG1-CG 3.31Å
219K92.1Very high91.9Very high124 Ų12471.5 Ų71.554%0.53941%0.409SS..  trans-133.772.6179.5-70.5150.4-165143.30111.4G217 Y221 A229 F230G217-K219 VanDerWaalsContact O-CE 3.27Å; G217-K219 WeakPolarHBondContact O-CE 3.16Å; G217-K219 PolarHBondContact O-NZ 3.45Å; K219-Y221 PolarHBondContact O-N 3.21Å; K219-A229 HydrophobicContact CB-CB 3.52Å; K219-A229 HydrophobicContact CD-CB 4.39Å; K219-A229 HydrophobicContact CG-CB 4.42Å; K219-F230 CarbonylContact C-O 3.59Å; K219-F230 VanDerWaalsContact CA-O 3.27Å; K219-F230 WeakPolarHBondContact CA-O 3.38Å
220P90.8Very high91.9Very high72 Ų7270.7 Ų70.747%0.46840%0.396SS..  trans-65.4-12-173.7-22.335000115.3
221Y93.8Very high91.9Very high77 Ų7768 Ų6830%0.30239%0.39SS..EExtended strand (participates in β ladder)trans-110.688.3-173.9-51.8-81.3000110.3K219 A229 F230 G232K219-Y221 PolarHBondContact O-N 3.21Å; Y221-A229 WeakPolarHBondContact O-CA 3.46Å; Y221-F230 WeakPolarHBondContact CD2-O 3.47Å; Y221-F230 PolarHBondContact N-O 3.19Å; Y221-F230 VanDerWaalsContact N-O 3.08Å; Y221-F230 PolarHBondContact O-N 3.07Å; Y221-G232 VanDerWaalsContact CD2-CA 3.42Å
222A95.1Very high91.7Very high60 Ų6067.2 Ų67.250%0.49639%0.387SS..EExtended strand (participates in β ladder)trans-75.3145.3173.500000112.1L236A222-L236 VanDerWaalsContact O-CD2 3.26Å; A222-L236 WeakPolarHBondContact O-CD2 3.27Å
223C95.1Very high91.7Very high1 Ų168.1 Ų68.11%0.00740%0.397CS..  trans-86.3119.6169.8-161.90000109.2D225 C226 G227 R228 L236C223-D225 PolarHBondContact O-N 3.02Å; C223-D225 PolarHBondContact SG-OD2 3.28Å; C223-D225 VanDerWaalsContact SG-OD2 3.37Å; C223-C226 PolarHBondContact O-N 3.31Å; C223-G227 VanDerWaalsContact O-CA 3.26Å; C223-G227 WeakPolarHBondContact O-CA 3.07Å; C223-G227 PolarHBondContact O-N 3.19Å; C223-R228 VanDerWaalsContact CB-O 3.27Å; C223-R228 WeakPolarHBondContact CB-O 3.41Å; C223-R228 PolarHBondContact N-O 3.06Å; C223-L236 HydrophobicContact CB-CD1 3.61Å
224P92.6Very high91.7Very high106 Ų10668.9 Ų68.969%0.68841%0.413SS*.THydrogen-bonded Turntrans-64-33.7178.927.2-33.7000111C226P224-C226 VanDerWaalsContact C-N 3.26Å; P224-C226 PolarHBondContact O-N 2.67Å
225D92.6Very high91.7Very high77 Ų7765.9 Ų65.941%0.41240%0.396SS..THydrogen-bonded Turntrans-71.7-14.3-173.1-38.7-71.8000113.5C223 R240 H243C223-D225 PolarHBondContact O-N 3.02Å; C223-D225 PolarHBondContact SG-OD2 3.28Å; C223-D225 VanDerWaalsContact SG-OD2 3.37Å; D225-R240 IonicContact OD1-NH2 3.36Å; D225-R240 PolarHBondContact OD1-NH2 3.02Å; D225-R240 IonicContact OD2-CZ 3.02Å; D225-R240 IonicContact OD2-NE 3.19Å; D225-R240 PolarHBondContact OD2-NE 3.14Å; D225-R240 IonicContact OD2-NH2 3.03Å; D225-H243 HydrophobicContact CB-CB 4.48Å; D225-H243 IonicContact OD2-CD2 3.93Å
226C94.3Very high91.9Very high65 Ų6563.2 Ų63.244%0.43938%0.384SS..THydrogen-bonded Turntrans-159.814.4-179.367.40000116.4C223 P224 R228 H239 H243C223-C226 PolarHBondContact O-N 3.31Å; P224-C226 VanDerWaalsContact C-N 3.26Å; P224-C226 PolarHBondContact O-N 2.67Å; C226-R228 PolarHBondContact O-N 2.87Å; C226-H239 PolarHBondContact SG-NE2 2.96Å; C226-H243 PolarHBondContact SG-NE2 3Å
227G91.5Very high92Very high58 Ų5861.9 Ų61.960%0.59838%0.382SS*.  trans67.2-12.4-177.400000116.3C223 A229C223-G227 VanDerWaalsContact O-CA 3.26Å; C223-G227 WeakPolarHBondContact O-CA 3.07Å; C223-G227 PolarHBondContact O-N 3.19Å; G227-A229 PolarHBondContact O-N 3.31Å
228R93.6Very high92.3Very high160 Ų16065.9 Ų65.960%0.60439%0.387SS*.  trans-65.2124.4-171.9-172.3175.5-177158.97.7112.3C223 C226 F230C223-R228 VanDerWaalsContact CB-O 3.27Å; C223-R228 WeakPolarHBondContact CB-O 3.41Å; C223-R228 PolarHBondContact N-O 3.06Å; C226-R228 PolarHBondContact O-N 2.87Å; R228-F230 HydrophobicContact CB-CE2 4.19Å; R228-F230 HydrophobicContact CG-CE2 3.85Å; R228-F230 HydrophobicContact CG-CZ 3.83Å; R228-F230 WeakPolarHBondContact O-CD2 3.23Å; R228-F230 WeakPolarHBondContact O-CE2 3.35Å
229A92.8Very high92.4Very high39 Ų3963 Ų6332%0.32237%0.373SS..EExtended strand (participates in β ladder)trans-101.8148.1-174.400000114.7K219 Y221 G227K219-A229 HydrophobicContact CB-CB 3.52Å; K219-A229 HydrophobicContact CD-CB 4.39Å; K219-A229 HydrophobicContact CG-CB 4.42Å; Y221-A229 WeakPolarHBondContact O-CA 3.46Å; G227-A229 PolarHBondContact O-N 3.31Å
230F91.1Very high92.5Very high35 Ų3561.8 Ų61.815%0.15437%0.365CS..EExtended strand (participates in β ladder)trans-132.6149.2-176.6-59.4-93.8000112.3K219 Y221 R228 G232 C235 L236 H239K219-F230 CarbonylContact C-O 3.59Å; K219-F230 VanDerWaalsContact CA-O 3.27Å; K219-F230 WeakPolarHBondContact CA-O 3.38Å; Y221-F230 WeakPolarHBondContact CD2-O 3.47Å; Y221-F230 PolarHBondContact N-O 3.19Å; Y221-F230 VanDerWaalsContact N-O 3.08Å; Y221-F230 PolarHBondContact O-N 3.07Å; R228-F230 HydrophobicContact CB-CE2 4.19Å; R228-F230 HydrophobicContact CG-CE2 3.85Å; R228-F230 HydrophobicContact CG-CZ 3.83Å; R228-F230 WeakPolarHBondContact O-CD2 3.23Å; R228-F230 WeakPolarHBondContact O-CE2 3.35Å; F230-G232 VanDerWaalsContact C-N 3.27Å; F230-G232 PolarHBondContact O-N 3.3Å; F230-C235 HydrophobicContact CB-CB 4.17Å; F230-C235 HydrophobicContact CD1-CB 3.93Å; F230-C235 HydrophobicContact CG-CB 4.3Å; F230-L236 HydrophobicContact CD2-CB 4.13Å; F230-L236 HydrophobicContact CD2-CD1 4.21Å; F230-L236 HydrophobicContact CE2-CD1 4.38Å; F230-L236 HydrophobicContact CG-CB 4.5Å; F230-H239 HydrophobicContact CE1-CB 4.2Å; F230-H239 HydrophobicContact CE2-CB 4.07Å; F230-H239 AromaticContact CE2-CD2 3.22Å; F230-H239 WeakPolarHBondContact CE2-CD2 3.48Å; F230-H239 AromaticContact CE2-CG 3.88Å; F230-H239 HydrophobicContact CZ-CB 3.65Å; F230-H239 AromaticContact CZ-CD2 3.25Å; F230-H239 WeakPolarHBondContact CZ-CD2 3.33Å; F230-H239 AromaticContact CZ-CG 3.49Å; F230-H239 VanDerWaalsContact CZ-CG 3.49Å; F230-H239 AromaticContact CZ-NE2 3.98Å
231G88.4Confident92.7Very high25 Ų2561.4 Ų61.426%0.25836%0.355SS..SBendtrans-77.7-0.4175.500000115.6R213R213-G231 WeakPolarHBondContact CD-O 3.43Å; R213-G231 PolarHBondContact NH1-O 3.05Å
232G89.6Confident92.6Very high3 Ų362.4 Ų62.43%0.03137%0.369CS..SBendtrans-153.9138.2179.400000113.6Y221 F230 S234 C235 L236Y221-G232 VanDerWaalsContact CD2-CA 3.42Å; F230-G232 VanDerWaalsContact C-N 3.27Å; F230-G232 PolarHBondContact O-N 3.3Å; G232-S234 VanDerWaalsContact C-N 3.31Å; G232-S234 PolarHBondContact O-N 3.07Å; G232-C235 WeakPolarHBondContact O-CB 3.36Å; G232-C235 PolarHBondContact O-N 3.5Å; G232-L236 PolarHBondContact O-N 3.37Å
233S91.3Very high92.5Very high69 Ų6963.4 Ų63.448%0.48336%0.363SS..Hα-helixtrans-57.6-38.1-179.754.10000113.5C235 L236 A237S233-C235 VanDerWaalsContact C-N 3.25Å; S233-C235 PolarHBondContact O-N 3.01Å; S233-L236 PolarHBondContact O-N 3.32Å; S233-A237 WeakPolarHBondContact O-CB 3.27Å; S233-A237 PolarHBondContact O-N 3.08Å
234S90.4Very high92.4Very high81 Ų8166.8 Ų66.857%0.56638%0.384SS*.Hα-helixtrans-65.4-27.3176.3600000113.2G232 R238G232-S234 VanDerWaalsContact C-N 3.31Å; G232-S234 PolarHBondContact O-N 3.07Å; S234-R238 VanDerWaalsContact O-CB 3.25Å; S234-R238 WeakPolarHBondContact O-CB 3.49Å; S234-R238 PolarHBondContact O-N 2.87Å; S234-R238 VanDerWaalsContact O-N 3.17Å
235C91.8Very high92.4Very high42 Ų4264.1 Ų64.128%0.28438%0.376SS..Hα-helixtrans-75.5-40.1173.2-72.60000111.6F230 G232 S233 R238 H239F230-C235 HydrophobicContact CB-CB 4.17Å; F230-C235 HydrophobicContact CD1-CB 3.93Å; F230-C235 HydrophobicContact CG-CB 4.3Å; G232-C235 WeakPolarHBondContact O-CB 3.36Å; G232-C235 PolarHBondContact O-N 3.5Å; S233-C235 VanDerWaalsContact C-N 3.25Å; S233-C235 PolarHBondContact O-N 3.01Å; C235-R238 PolarHBondContact SG-NH2 3.24Å; C235-H239 WeakPolarHBondContact O-CB 3.32Å; C235-H239 PolarHBondContact O-N 3.34Å
236L94Very high92.4Very high27 Ų2764.7 Ų64.714%0.14138%0.376CS..Hα-helixtrans-62.3-51.2171.517159.5000111.6A222 C223 F230 G232 S233 R238 H239 R240A222-L236 VanDerWaalsContact O-CD2 3.26Å; A222-L236 WeakPolarHBondContact O-CD2 3.27Å; C223-L236 HydrophobicContact CB-CD1 3.61Å; F230-L236 HydrophobicContact CD2-CB 4.13Å; F230-L236 HydrophobicContact CD2-CD1 4.21Å; F230-L236 HydrophobicContact CE2-CD1 4.38Å; F230-L236 HydrophobicContact CG-CB 4.5Å; G232-L236 PolarHBondContact O-N 3.37Å; S233-L236 PolarHBondContact O-N 3.32Å; L236-R238 VanDerWaalsContact C-N 3.27Å; L236-R238 PolarHBondContact O-N 2.97Å; L236-H239 CarbonylContact O-C 3.57Å; L236-H239 WeakPolarHBondContact O-CA 3.49Å; L236-H239 WeakPolarHBondContact O-CB 3.39Å; L236-H239 PolarHBondContact O-N 3.17Å; L236-R240 HydrophobicContact CD1-CG 4.04Å; L236-R240 PolarHBondContact O-N 3.27Å
237A92.6Very high92.4Very high59 Ų5968 Ų6849%0.48838%0.379SS..Hα-helixtrans-58.4-38.7179.200000112.4S233S233-A237 WeakPolarHBondContact O-CB 3.27Å; S233-A237 PolarHBondContact O-N 3.08Å
238R93.4Very high92.5Very high117 Ų11768 Ų6844%0.44237%0.369SS..Hα-helixtrans-69.7-29.8173.1-176.3-179.764.7-176.2-8.6113.1S234 C235 L236 Q260S234-R238 VanDerWaalsContact O-CB 3.25Å; S234-R238 WeakPolarHBondContact O-CB 3.49Å; S234-R238 PolarHBondContact O-N 2.87Å; S234-R238 VanDerWaalsContact O-N 3.17Å; C235-R238 PolarHBondContact SG-NH2 3.24Å; L236-R238 VanDerWaalsContact C-N 3.27Å; L236-R238 PolarHBondContact O-N 2.97Å; R238-Q260 HydrophobicContact CG-CG 4.21Å
239H94.4Very high92.6Very high26 Ų2664.2 Ų64.212%0.1236%0.355CS..Hα-helixtrans-74.1-40.3174.8169.839.3000112.2C226 F230 C235 L236 R241 T242 H243C226-H239 PolarHBondContact SG-NE2 2.96Å; F230-H239 HydrophobicContact CE1-CB 4.2Å; F230-H239 HydrophobicContact CE2-CB 4.07Å; F230-H239 AromaticContact CE2-CD2 3.22Å; F230-H239 WeakPolarHBondContact CE2-CD2 3.48Å; F230-H239 AromaticContact CE2-CG 3.88Å; F230-H239 HydrophobicContact CZ-CB 3.65Å; F230-H239 AromaticContact CZ-CD2 3.25Å; F230-H239 WeakPolarHBondContact CZ-CD2 3.33Å; F230-H239 AromaticContact CZ-CG 3.49Å; F230-H239 VanDerWaalsContact CZ-CG 3.49Å; F230-H239 AromaticContact CZ-NE2 3.98Å; C235-H239 WeakPolarHBondContact O-CB 3.32Å; C235-H239 PolarHBondContact O-N 3.34Å; L236-H239 CarbonylContact O-C 3.57Å; L236-H239 WeakPolarHBondContact O-CA 3.49Å; L236-H239 WeakPolarHBondContact O-CB 3.39Å; L236-H239 PolarHBondContact O-N 3.17Å; H239-R241 PolarHBondContact O-N 3.35Å; H239-T242 PolarHBondContact CE1-OG1 3.3Å; H239-T242 PolarHBondContact ND1-OG1 3.25Å; H239-T242 WeakPolarHBondContact O-CB 3.21Å; H239-T242 PolarHBondContact O-N 3.02Å; H239-T242 PolarHBondContact O-OG1 2.87Å; H239-H243 AromaticContact CE1-NE2 3.35Å; H239-H243 PolarHBondContact CE1-NE2 2.76Å; H239-H243 VanDerWaalsContact CE1-NE2 3.35Å; H239-H243 AromaticContact NE2-NE2 3.41Å; H239-H243 PolarHBondContact NE2-NE2 3.44Å
240R93.9Very high92.8Very high99 Ų9964.6 Ų64.637%0.37436%0.358SS..Hα-helixtrans-55.9-27.2-179.6-68.1-166.170.8-123.2-1.7113.6D225 L236 T242 H243 T244D225-R240 IonicContact OD1-NH2 3.36Å; D225-R240 PolarHBondContact OD1-NH2 3.02Å; D225-R240 IonicContact OD2-CZ 3.02Å; D225-R240 IonicContact OD2-NE 3.19Å; D225-R240 PolarHBondContact OD2-NE 3.14Å; D225-R240 IonicContact OD2-NH2 3.03Å; L236-R240 HydrophobicContact CD1-CG 4.04Å; L236-R240 PolarHBondContact O-N 3.27Å; R240-T242 PolarHBondContact O-N 3.31Å; R240-T242 VanDerWaalsContact O-N 3.14Å; R240-H243 WeakPolarHBondContact O-CA 3.35Å; R240-H243 WeakPolarHBondContact O-CB 3.41Å; R240-H243 PolarHBondContact O-N 3.41Å; R240-T244 PolarHBondContact O-N 3.08Å; R240-T244 PolarHBondContact O-OG1 2.77Å
241R94Very high93Very high63 Ų6363 Ų6324%0.23835%0.352CS..THydrogen-bonded Turntrans-58.6-18.9169.7-59.1-169.3179.5148.86.7115.4H239 H243 T244 G245 E246 A259H239-R241 PolarHBondContact O-N 3.35Å; R241-H243 VanDerWaalsContact C-N 3.34Å; R241-T244 WeakPolarHBondContact CA-OG1 3.22Å; R241-G245 CarbonylContact O-C 3.58Å; R241-G245 WeakPolarHBondContact O-CA 3.43Å; R241-G245 PolarHBondContact O-N 3.49Å; R241-G245 VanDerWaalsContact O-N 3.15Å; R241-E246 HydrophobicContact CB-CB 3.96Å; R241-E246 HydrophobicContact CG-CB 3.83Å; R241-E246 IonicContact NE-OE2 3.92Å; R241-E246 PolarHBondContact O-N 3.39Å; R241-A259 HydrophobicContact CB-CB 4.36Å; R241-A259 PolarHBondContact NH1-O 3.46Å
242T93.2Very high93.3Very high98 Ų9866.6 Ų66.660%0.60138%0.378SS*.THydrogen-bonded Turntrans-81.8-14.3172.467.10000112.9H239 R240H239-T242 PolarHBondContact CE1-OG1 3.3Å; H239-T242 PolarHBondContact ND1-OG1 3.25Å; H239-T242 WeakPolarHBondContact O-CB 3.21Å; H239-T242 PolarHBondContact O-N 3.02Å; H239-T242 PolarHBondContact O-OG1 2.87Å; R240-T242 PolarHBondContact O-N 3.31Å; R240-T242 VanDerWaalsContact O-N 3.14Å
243H92.7Very high93.5Very high82 Ų8270.4 Ų70.438%0.3840%0.398SS..THydrogen-bonded Turntrans-94.3-46.5170.9-58.4-61.1000110.8D225 C226 H239 R240 R241 G245D225-H243 HydrophobicContact CB-CB 4.48Å; D225-H243 IonicContact OD2-CD2 3.93Å; C226-H243 PolarHBondContact SG-NE2 3Å; H239-H243 AromaticContact CE1-NE2 3.35Å; H239-H243 PolarHBondContact CE1-NE2 2.76Å; H239-H243 VanDerWaalsContact CE1-NE2 3.35Å; H239-H243 AromaticContact NE2-NE2 3.41Å; H239-H243 PolarHBondContact NE2-NE2 3.44Å; R240-H243 WeakPolarHBondContact O-CA 3.35Å; R240-H243 WeakPolarHBondContact O-CB 3.41Å; R240-H243 PolarHBondContact O-N 3.41Å; R241-H243 VanDerWaalsContact C-N 3.34Å; H243-G245 VanDerWaalsContact C-N 3.26Å; H243-G245 PolarHBondContact O-N 2.45Å
244T91.9Very high93.7Very high71 Ų7169.5 Ų69.544%0.43639%0.391SS..SBendtrans-76-8.7179.160.60000114.2R240 R241 E246R240-T244 PolarHBondContact O-N 3.08Å; R240-T244 PolarHBondContact O-OG1 2.77Å; R241-T244 WeakPolarHBondContact CA-OG1 3.22Å; T244-E246 WeakPolarHBondContact CB-OE1 3.25Å; T244-E246 PolarHBondContact O-N 2.83Å; T244-E246 VanDerWaalsContact O-N 3.16Å; T244-E246 VanDerWaalsContact OG1-CD 3.32Å; T244-E246 WeakPolarHBondContact OG1-CG 3.25Å; T244-E246 PolarHBondContact OG1-OE1 3.23Å
245G91.9Very high93.8Very high51 Ų5168 Ų6853%0.52639%0.389SS..  trans69.43.7-175.500000114.8R241 H243 R247R241-G245 CarbonylContact O-C 3.58Å; R241-G245 WeakPolarHBondContact O-CA 3.43Å; R241-G245 PolarHBondContact O-N 3.49Å; R241-G245 VanDerWaalsContact O-N 3.15Å; H243-G245 VanDerWaalsContact C-N 3.26Å; H243-G245 PolarHBondContact O-N 2.45Å; G245-R247 WeakPolarHBondContact O-CG 3.46Å; G245-R247 PolarHBondContact O-N 3.2Å
246E93.3Very high93.9Very high89 Ų8968.6 Ų68.642%0.41639%0.391SS..  trans-52.2117.1-176.3-87.9169-111.400113.1R241 T244 P248 A259R241-E246 HydrophobicContact CB-CB 3.96Å; R241-E246 HydrophobicContact CG-CB 3.83Å; R241-E246 IonicContact NE-OE2 3.92Å; R241-E246 PolarHBondContact O-N 3.39Å; T244-E246 WeakPolarHBondContact CB-OE1 3.25Å; T244-E246 PolarHBondContact O-N 2.83Å; T244-E246 VanDerWaalsContact O-N 3.16Å; T244-E246 VanDerWaalsContact OG1-CD 3.32Å; T244-E246 WeakPolarHBondContact OG1-CG 3.25Å; T244-E246 PolarHBondContact OG1-OE1 3.23Å; E246-P248 WeakPolarHBondContact O-CD 3.46Å; E246-A259 WeakPolarHBondContact O-CB 3.08Å
247R93.9Very high94Very high134 Ų13473.2 Ų73.251%0.50641%0.406SS..  trans-123.377.8174.1-68.3161.878.4169.71.8109.9G245 Y249 R257 F258G245-R247 WeakPolarHBondContact O-CG 3.46Å; G245-R247 PolarHBondContact O-N 3.2Å; R247-Y249 VanDerWaalsContact C-N 3.33Å; R247-Y249 PolarHBondContact O-N 3.26Å; R247-R257 HydrophobicContact CB-CB 3.63Å; R247-R257 PolarHBondContact NE-O 3.09Å; R247-R257 PolarHBondContact NH2-O 2.87Å; R247-R257 PolarHBondContact O-NE 3.17Å; R247-R257 PolarHBondContact O-NH2 3.37Å; R247-F258 CarbonylContact C-O 3.49Å; R247-F258 VanDerWaalsContact CA-O 3.28Å; R247-F258 WeakPolarHBondContact CA-O 3.4Å
248P93.8Very high94.1Very high59 Ų5972.1 Ų72.138%0.38339%0.391SS..  trans-66.4-30.5-173.9-22.835.2000114E246 R257 F258E246-P248 WeakPolarHBondContact O-CD 3.46Å; P248-R257 PolarHBondContact O-NH2 3.39Å; P248-F258 WeakPolarHBondContact CD-O 3.46Å
249Y96.4Very high94.1Very high80 Ų8067.9 Ų67.931%0.31438%0.381SS..EExtended strand (participates in β ladder)trans-96.1102.8-169-49.8-80.7000110.8R247 R257 F258 S261R247-Y249 VanDerWaalsContact C-N 3.33Å; R247-Y249 PolarHBondContact O-N 3.26Å; Y249-R257 CarbonylContact O-C 3.58Å; Y249-R257 WeakPolarHBondContact O-CA 3.43Å; Y249-F258 WeakPolarHBondContact CD2-O 3.4Å; Y249-F258 PolarHBondContact N-O 3.1Å; Y249-F258 VanDerWaalsContact N-O 3.07Å; Y249-F258 PolarHBondContact O-N 2.87Å; Y249-S261 VanDerWaalsContact CD2-N 3.27Å
250A96.2Very high94.1Very high46 Ų4670.2 Ų70.238%0.3839%0.392SS..EExtended strand (participates in β ladder)trans-88147.1176.400000112.3R257 L264A250-R257 HydrophobicContact CB-CG 4.19Å; A250-L264 VanDerWaalsContact O-CD2 3.25Å; A250-L264 WeakPolarHBondContact O-CD2 3.41Å
251C96.1Very high94.1Very high3 Ų368.6 Ų68.62%0.0240%0.396CS..  trans-84.2124.8166.2-1570000109.4D253 G255 T256 L264 H267 H271C251-D253 VanDerWaalsContact C-N 3.31Å; C251-D253 PolarHBondContact SG-OD2 3.35Å; C251-G255 VanDerWaalsContact O-CA 3.23Å; C251-G255 WeakPolarHBondContact O-CA 3.25Å; C251-G255 PolarHBondContact O-N 3.31Å; C251-T256 WeakPolarHBondContact CB-O 3.46Å; C251-T256 PolarHBondContact N-O 3.35Å; C251-L264 HydrophobicContact CB-CD1 3.58Å; C251-H267 VanDerWaalsContact SG-CD2 3.53Å; C251-H271 PolarHBondContact SG-NE2 3.09Å
252A94.6Very high94.1Very high99 Ų9968.3 Ų68.382%0.81840%0.404SS*.THydrogen-bonded Turntrans-61.2-45.2174.900000110.8C254A252-C254 PolarHBondContact O-N 3.5Å; A252-C254 VanDerWaalsContact O-N 3.09Å
253D93.1Very high94.1Very high83 Ų8365.2 Ų65.244%0.44439%0.388SS..THydrogen-bonded Turntrans-63.1-17.6-172.4-36.1-49.6000114.8C251 R268 H271C251-D253 VanDerWaalsContact C-N 3.31Å; C251-D253 PolarHBondContact SG-OD2 3.35Å; D253-R268 IonicContact OD2-NE 2.82Å; D253-R268 PolarHBondContact OD2-NE 3.35Å; D253-H271 HydrophobicContact CB-CB 4.44Å; D253-H271 VanDerWaalsContact CB-CD2 3.49Å; D253-H271 WeakPolarHBondContact CB-CD2 3.45Å; D253-H271 IonicContact OD2-CD2 3.68Å; D253-H271 PolarHBondContact OD2-CD2 3.04Å; D253-H271 VanDerWaalsContact OD2-CD2 3.31Å
254C95.1Very high94.2Very high51 Ų5162.7 Ų62.735%0.34538%0.377SS..THydrogen-bonded Turntrans-159.614.3-175.8700000115.7A252 T256 H267 H271A252-C254 PolarHBondContact O-N 3.5Å; A252-C254 VanDerWaalsContact O-N 3.09Å; C254-T256 PolarHBondContact O-N 2.97Å; C254-T256 PolarHBondContact SG-OG1 2.61Å; C254-T256 VanDerWaalsContact SG-OG1 3.35Å; C254-H267 PolarHBondContact SG-NE2 2.89Å; C254-H271 WeakPolarHBondContact CB-CE1 3.46Å; C254-H271 PolarHBondContact SG-CE1 2.83Å; C254-H271 PolarHBondContact SG-NE2 2.79Å
255G92.9Very high94.2Very high49 Ų4962.3 Ų62.351%0.50538%0.381SS..  trans66.2-14.9-177.200000116.9C251 R257C251-G255 VanDerWaalsContact O-CA 3.23Å; C251-G255 WeakPolarHBondContact O-CA 3.25Å; C251-G255 PolarHBondContact O-N 3.31Å; G255-R257 VanDerWaalsContact O-CG 3.31Å; G255-R257 WeakPolarHBondContact O-CG 3.46Å; G255-R257 PolarHBondContact O-N 3.28Å
256T95Very high94.2Very high55 Ų5565.1 Ų65.134%0.33738%0.379SS..  trans-59123.9-171.2-63.50000111.8C251 C254 F258C251-T256 WeakPolarHBondContact CB-O 3.46Å; C251-T256 PolarHBondContact N-O 3.35Å; C254-T256 PolarHBondContact O-N 2.97Å; C254-T256 PolarHBondContact SG-OG1 2.61Å; C254-T256 VanDerWaalsContact SG-OG1 3.35Å; T256-F258 HydrophobicContact CG2-CE1 4.34Å; T256-F258 HydrophobicContact CG2-CE2 3.72Å; T256-F258 HydrophobicContact CG2-CZ 3.52Å; T256-F258 WeakPolarHBondContact O-CD2 3.34Å; T256-F258 VanDerWaalsContact O-CE2 3.25Å; T256-F258 WeakPolarHBondContact O-CE2 3.25Å
257R95.8Very high94.3Very high123 Ų12362.6 Ų62.646%0.46437%0.367SS..EExtended strand (participates in β ladder)trans-97.6150.9-174.1-51-171.365.81054.6113.3R247 P248 Y249 A250 G255R247-R257 HydrophobicContact CB-CB 3.63Å; R247-R257 PolarHBondContact NE-O 3.09Å; R247-R257 PolarHBondContact NH2-O 2.87Å; R247-R257 PolarHBondContact O-NE 3.17Å; R247-R257 PolarHBondContact O-NH2 3.37Å; P248-R257 PolarHBondContact O-NH2 3.39Å; Y249-R257 CarbonylContact O-C 3.58Å; Y249-R257 WeakPolarHBondContact O-CA 3.43Å; A250-R257 HydrophobicContact CB-CG 4.19Å; G255-R257 VanDerWaalsContact O-CG 3.31Å; G255-R257 WeakPolarHBondContact O-CG 3.46Å; G255-R257 PolarHBondContact O-N 3.28Å
258F94.5Very high94.2Very high36 Ų3662.1 Ų62.116%0.15837%0.365CS..EExtended strand (participates in β ladder)trans-135.7147.8-178.6-60.4-86.7000112.4R247 P248 Y249 T256 Q260 A263 L264 H267R247-F258 CarbonylContact C-O 3.49Å; R247-F258 VanDerWaalsContact CA-O 3.28Å; R247-F258 WeakPolarHBondContact CA-O 3.4Å; P248-F258 WeakPolarHBondContact CD-O 3.46Å; Y249-F258 WeakPolarHBondContact CD2-O 3.4Å; Y249-F258 PolarHBondContact N-O 3.1Å; Y249-F258 VanDerWaalsContact N-O 3.07Å; Y249-F258 PolarHBondContact O-N 2.87Å; T256-F258 HydrophobicContact CG2-CE1 4.34Å; T256-F258 HydrophobicContact CG2-CE2 3.72Å; T256-F258 HydrophobicContact CG2-CZ 3.52Å; T256-F258 WeakPolarHBondContact O-CD2 3.34Å; T256-F258 VanDerWaalsContact O-CE2 3.25Å; T256-F258 WeakPolarHBondContact O-CE2 3.25Å; F258-Q260 VanDerWaalsContact C-N 3.28Å; F258-Q260 PolarHBondContact O-N 2.96Å; F258-A263 HydrophobicContact CB-CB 4.22Å; F258-A263 HydrophobicContact CD1-CB 3.81Å; F258-A263 HydrophobicContact CG-CB 4.24Å; F258-L264 HydrophobicContact CB-CB 4.37Å; F258-L264 HydrophobicContact CD2-CB 3.76Å; F258-L264 HydrophobicContact CD2-CD1 3.9Å; F258-L264 HydrophobicContact CD2-CG 4.41Å; F258-L264 HydrophobicContact CE2-CB 4.44Å; F258-L264 HydrophobicContact CE2-CD1 3.96Å; F258-L264 HydrophobicContact CG-CB 4.21Å; F258-H267 HydrophobicContact CE1-CB 4.07Å; F258-H267 HydrophobicContact CE2-CB 3.91Å; F258-H267 AromaticContact CE2-CD2 3.46Å; F258-H267 VanDerWaalsContact CE2-CD2 3.46Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.43Å; F258-H267 AromaticContact CE2-CG 3.73Å; F258-H267 HydrophobicContact CZ-CB 3.44Å; F258-H267 VanDerWaalsContact CZ-CB 3.44Å; F258-H267 AromaticContact CZ-CD2 3.52Å; F258-H267 AromaticContact CZ-CG 3.31Å; F258-H267 AromaticContact CZ-ND1 3.85Å
259A93.8Very high94.1Very high29 Ų2962.9 Ų62.924%0.2436%0.36CS..SBendtrans-77.7-10.7174.700000113.8R241 E246R241-A259 HydrophobicContact CB-CB 4.36Å; R241-A259 PolarHBondContact NH1-O 3.46Å; E246-A259 WeakPolarHBondContact O-CB 3.08Å
260Q94Very high93.8Very high74 Ų7464.1 Ų64.135%0.34638%0.376SS..SBendtrans-141.1133.6-177-55.1-176.235.200110.9R238 F258 S262 A263 L264R238-Q260 HydrophobicContact CG-CG 4.21Å; F258-Q260 VanDerWaalsContact C-N 3.28Å; F258-Q260 PolarHBondContact O-N 2.96Å; Q260-S262 VanDerWaalsContact C-N 3.25Å; Q260-S262 PolarHBondContact O-N 2.89Å; Q260-A263 HydrophobicContact CB-CB 4.35Å; Q260-A263 WeakPolarHBondContact O-CB 3.28Å; Q260-A263 PolarHBondContact O-N 3.02Å; Q260-L264 PolarHBondContact O-N 3.29Å
261S94.5Very high93.6Very high66 Ų6666.3 Ų66.346%0.46238%0.378SS..Hα-helixtrans-59.6-34.817652.60000112.7Y249 A263 L264 A265Y249-S261 VanDerWaalsContact CD2-N 3.27Å; S261-A263 PolarHBondContact O-N 2.91Å; S261-L264 PolarHBondContact O-N 2.87Å; S261-A265 WeakPolarHBondContact O-CB 3.24Å; S261-A265 PolarHBondContact O-N 3.45Å
262S92.9Very high93.3Very high57 Ų5769.5 Ų69.540%0.39940%0.398SS..Hα-helixtrans-69.9-14.917666.10000114.2Q260 K266Q260-S262 VanDerWaalsContact C-N 3.25Å; Q260-S262 PolarHBondContact O-N 2.89Å; S262-K266 VanDerWaalsContact O-CD 3.23Å; S262-K266 WeakPolarHBondContact O-CD 3.27Å; S262-K266 WeakPolarHBondContact O-CE 3.48Å; S262-K266 VanDerWaalsContact O-CG 3.24Å; S262-K266 WeakPolarHBondContact O-CG 3.26Å
263A93.6Very high93Very high33 Ų3366.7 Ų66.727%0.27338%0.378SS..Hα-helixtrans-84.8-43.5169.400000110.6F258 Q260 S261 K266 H267F258-A263 HydrophobicContact CB-CB 4.22Å; F258-A263 HydrophobicContact CD1-CB 3.81Å; F258-A263 HydrophobicContact CG-CB 4.24Å; Q260-A263 HydrophobicContact CB-CB 4.35Å; Q260-A263 WeakPolarHBondContact O-CB 3.28Å; Q260-A263 PolarHBondContact O-N 3.02Å; S261-A263 PolarHBondContact O-N 2.91Å; A263-K266 WeakPolarHBondContact O-CB 3.26Å; A263-K266 PolarHBondContact O-N 2.82Å; A263-H267 WeakPolarHBondContact O-CB 3.48Å; A263-H267 PolarHBondContact O-N 2.85Å
264L95.2Very high92.9Very high28 Ų2867.3 Ų67.315%0.14738%0.379CS..Hα-helixtrans-57.7-49.2172.1172.559.2000111.9A250 C251 F258 Q260 S261 K266 H267 R268A250-L264 VanDerWaalsContact O-CD2 3.25Å; A250-L264 WeakPolarHBondContact O-CD2 3.41Å; C251-L264 HydrophobicContact CB-CD1 3.58Å; F258-L264 HydrophobicContact CB-CB 4.37Å; F258-L264 HydrophobicContact CD2-CB 3.76Å; F258-L264 HydrophobicContact CD2-CD1 3.9Å; F258-L264 HydrophobicContact CD2-CG 4.41Å; F258-L264 HydrophobicContact CE2-CB 4.44Å; F258-L264 HydrophobicContact CE2-CD1 3.96Å; F258-L264 HydrophobicContact CG-CB 4.21Å; Q260-L264 PolarHBondContact O-N 3.29Å; S261-L264 PolarHBondContact O-N 2.87Å; L264-K266 PolarHBondContact O-N 3.32Å; L264-H267 WeakPolarHBondContact O-CB 3.27Å; L264-H267 PolarHBondContact O-N 3.45Å; L264-R268 HydrophobicContact CD1-CG 4.2Å; L264-R268 PolarHBondContact O-N 3.27Å
265A92.6Very high92.8Very high63 Ų6370.5 Ų70.552%0.52139%0.387SS..Hα-helixtrans-61.9-25.8179.100000113.5S261S261-A265 WeakPolarHBondContact O-CB 3.24Å; S261-A265 PolarHBondContact O-N 3.45Å
266K91.8Very high92.7Very high110 Ų11070.9 Ų70.948%0.47838%0.381SS..Hα-helixtrans-78-41.7170.5-76.3170.3-168170.50111.8S262 A263 L264 R269S262-K266 VanDerWaalsContact O-CD 3.23Å; S262-K266 WeakPolarHBondContact O-CD 3.27Å; S262-K266 WeakPolarHBondContact O-CE 3.48Å; S262-K266 VanDerWaalsContact O-CG 3.24Å; S262-K266 WeakPolarHBondContact O-CG 3.26Å; A263-K266 WeakPolarHBondContact O-CB 3.26Å; A263-K266 PolarHBondContact O-N 2.82Å; L264-K266 PolarHBondContact O-N 3.32Å; K266-R269 WeakPolarHBondContact O-CB 3.37Å; K266-R269 PolarHBondContact O-N 3.37Å
267H93.7Very high92.7Very high37 Ų3770.9 Ų70.917%0.17138%0.376CS..Hα-helixtrans-64-36.6179.8167.370.6000112.9C251 C254 F258 A263 L264 R269 V270 H271C251-H267 VanDerWaalsContact SG-CD2 3.53Å; C254-H267 PolarHBondContact SG-NE2 2.89Å; F258-H267 HydrophobicContact CE1-CB 4.07Å; F258-H267 HydrophobicContact CE2-CB 3.91Å; F258-H267 AromaticContact CE2-CD2 3.46Å; F258-H267 VanDerWaalsContact CE2-CD2 3.46Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.43Å; F258-H267 AromaticContact CE2-CG 3.73Å; F258-H267 HydrophobicContact CZ-CB 3.44Å; F258-H267 VanDerWaalsContact CZ-CB 3.44Å; F258-H267 AromaticContact CZ-CD2 3.52Å; F258-H267 AromaticContact CZ-CG 3.31Å; F258-H267 AromaticContact CZ-ND1 3.85Å; A263-H267 WeakPolarHBondContact O-CB 3.48Å; A263-H267 PolarHBondContact O-N 2.85Å; L264-H267 WeakPolarHBondContact O-CB 3.27Å; L264-H267 PolarHBondContact O-N 3.45Å; H267-R269 PolarHBondContact O-N 2.89Å; H267-V270 VanDerWaalsContact O-CB 3.27Å; H267-V270 WeakPolarHBondContact O-CB 3.4Å; H267-V270 WeakPolarHBondContact O-CG2 3.46Å; H267-V270 PolarHBondContact O-N 3.34Å; H267-H271 AromaticContact CD2-NE2 3.26Å; H267-H271 PolarHBondContact CD2-NE2 3.21Å; H267-H271 VanDerWaalsContact CD2-NE2 3.26Å; H267-H271 AromaticContact CE1-NE2 3.2Å; H267-H271 PolarHBondContact CE1-NE2 2.84Å; H267-H271 AromaticContact NE2-NE2 2.45Å; H267-H271 PolarHBondContact NE2-NE2 2.91Å
268R92.7Very high92.6Very high123 Ų12372.6 Ų72.646%0.46438%0.383SS..Hα-helixtrans-56.4-23176.9-70.2-16972.2-131.70.1114.3D253 L264 V270 H271 T272D253-R268 IonicContact OD2-NE 2.82Å; D253-R268 PolarHBondContact OD2-NE 3.35Å; L264-R268 HydrophobicContact CD1-CG 4.2Å; L264-R268 PolarHBondContact O-N 3.27Å; R268-V270 PolarHBondContact O-N 3.41Å; R268-H271 PolarHBondContact O-N 3.41Å; R268-T272 PolarHBondContact O-N 3.01Å
269R91.8Very high92.7Very high75 Ų7571.2 Ų71.228%0.28338%0.378SS..Hα-helixtrans-65.6-16.4172.9-59.4-179.1175.2-176.3-5.2114.1K266 H267 G273 E274 G287K266-R269 WeakPolarHBondContact O-CB 3.37Å; K266-R269 PolarHBondContact O-N 3.37Å; H267-R269 PolarHBondContact O-N 2.89Å; R269-G273 CarbonylContact O-C 3.22Å; R269-G273 WeakPolarHBondContact O-CA 3.34Å; R269-G273 PolarHBondContact O-N 3.14Å; R269-G273 VanDerWaalsContact O-N 3.14Å; R269-E274 HydrophobicContact CB-CB 4.15Å; R269-E274 HydrophobicContact CG-CB 4.06Å; R269-E274 PolarHBondContact O-N 3.15Å; R269-G287 PolarHBondContact NH1-O 2.85Å
270V90.7Very high92.7Very high107 Ų10774.3 Ų74.365%0.64840%0.403SS*.Hα-helixtrans-69.4-40.9170.91800000109.7H267 R268H267-V270 VanDerWaalsContact O-CB 3.27Å; H267-V270 WeakPolarHBondContact O-CB 3.4Å; H267-V270 WeakPolarHBondContact O-CG2 3.46Å; H267-V270 PolarHBondContact O-N 3.34Å; R268-V270 PolarHBondContact O-N 3.41Å
271H91.1Very high92.7Very high91 Ų9176 Ų7642%0.42142%0.419SS..Hα-helixtrans-78.8-42.9179.8-51.9-49.6000112.3C251 D253 C254 H267 R268 G273C251-H271 PolarHBondContact SG-NE2 3.09Å; D253-H271 HydrophobicContact CB-CB 4.44Å; D253-H271 VanDerWaalsContact CB-CD2 3.49Å; D253-H271 WeakPolarHBondContact CB-CD2 3.45Å; D253-H271 IonicContact OD2-CD2 3.68Å; D253-H271 PolarHBondContact OD2-CD2 3.04Å; D253-H271 VanDerWaalsContact OD2-CD2 3.31Å; C254-H271 WeakPolarHBondContact CB-CE1 3.46Å; C254-H271 PolarHBondContact SG-CE1 2.83Å; C254-H271 PolarHBondContact SG-NE2 2.79Å; H267-H271 AromaticContact CD2-NE2 3.26Å; H267-H271 PolarHBondContact CD2-NE2 3.21Å; H267-H271 VanDerWaalsContact CD2-NE2 3.26Å; H267-H271 AromaticContact CE1-NE2 3.2Å; H267-H271 PolarHBondContact CE1-NE2 2.84Å; H267-H271 AromaticContact NE2-NE2 2.45Å; H267-H271 PolarHBondContact NE2-NE2 2.91Å; R268-H271 PolarHBondContact O-N 3.41Å; H271-G273 VanDerWaalsContact C-N 3.26Å; H271-G273 PolarHBondContact O-N 3.35Å
272T89.4Confident92.7Very high70 Ų7075.4 Ų75.443%0.42941%0.413SS..SBendtrans-79-5.4177.565.40000114R268 E274R268-T272 PolarHBondContact O-N 3.01Å; T272-E274 PolarHBondContact O-N 3.03Å; T272-E274 WeakPolarHBondContact OG1-CB 3.47Å; T272-E274 VanDerWaalsContact OG1-CG 3.32Å; T272-E274 WeakPolarHBondContact OG1-CG 3.48Å; T272-E274 PolarHBondContact OG1-OE1 3.02Å
273G89.2Confident92.6Very high40 Ų4073.9 Ų73.941%0.41241%0.407SS..  trans64.93.4-175.200000115.2R269 H271 K275R269-G273 CarbonylContact O-C 3.22Å; R269-G273 WeakPolarHBondContact O-CA 3.34Å; R269-G273 PolarHBondContact O-N 3.14Å; R269-G273 VanDerWaalsContact O-N 3.14Å; H271-G273 VanDerWaalsContact C-N 3.26Å; H271-G273 PolarHBondContact O-N 3.35Å; G273-K275 WeakPolarHBondContact O-CG 3.28Å; G273-K275 PolarHBondContact O-N 3.07Å
274E91.4Very high92.7Very high96 Ų9680.4 Ų80.445%0.44942%0.424SS..  trans-55.8121.5-172.2-90.8172.6-116.800113.4R269 T272 P276R269-E274 HydrophobicContact CB-CB 4.15Å; R269-E274 HydrophobicContact CG-CB 4.06Å; R269-E274 PolarHBondContact O-N 3.15Å; T272-E274 PolarHBondContact O-N 3.03Å; T272-E274 WeakPolarHBondContact OG1-CB 3.47Å; T272-E274 VanDerWaalsContact OG1-CG 3.32Å; T272-E274 WeakPolarHBondContact OG1-CG 3.48Å; T272-E274 PolarHBondContact OG1-OE1 3.02Å; E274-P276 WeakPolarHBondContact O-CD 3.44Å
275K92Very high92.6Very high118 Ų11886.2 Ų86.251%0.51344%0.444SS..  trans-123.879.8174.7-68.1161-166.7170.60109.7G273 H277 R285 F286G273-K275 WeakPolarHBondContact O-CG 3.28Å; G273-K275 PolarHBondContact O-N 3.07Å; K275-H277 VanDerWaalsContact C-N 3.28Å; K275-H277 PolarHBondContact O-N 2.77Å; K275-R285 HydrophobicContact CB-CB 3.59Å; K275-R285 PolarHBondContact O-NE 3.34Å; K275-R285 PolarHBondContact O-NH2 2.87Å; K275-R285 VanDerWaalsContact O-NH2 3.14Å; K275-F286 CarbonylContact C-O 3.55Å; K275-F286 WeakPolarHBondContact CA-O 3.2Å
276P91.4Very high92.5Very high58 Ų5885.3 Ų85.338%0.37743%0.428SS..  trans-68-24.2-174-22.435.5000114E274E274-P276 WeakPolarHBondContact O-CD 3.44Å
277H94Very high92.4Very high54 Ų5481 Ų8125%0.2542%0.415CS..EExtended strand (participates in β ladder)trans-98.198.7-170.2-53.4-68.4000110.8K275 R285 F286 R289 L292K275-H277 VanDerWaalsContact C-N 3.28Å; K275-H277 PolarHBondContact O-N 2.77Å; H277-R285 CarbonylContact O-C 3.5Å; H277-R285 WeakPolarHBondContact O-CA 3.38Å; H277-F286 HydrophobicContact CB-CB 4.4Å; H277-F286 WeakPolarHBondContact CB-O 3.42Å; H277-F286 PolarHBondContact CD2-O 2.81Å; H277-F286 PolarHBondContact N-O 3.39Å; H277-F286 VanDerWaalsContact N-O 3.1Å; H277-F286 PolarHBondContact O-N 2.79Å; H277-R289 PolarHBondContact CD2-N 3.33Å; H277-R289 VanDerWaalsContact CD2-N 3.27Å; H277-R289 PolarHBondContact NE2-N 3.06Å; H277-L292 HydrophobicContact CB-CB 4.22Å; H277-L292 HydrophobicContact CB-CD2 3.87Å
278R95.3Very high92.2Very high160 Ų16082.7 Ų82.760%0.60442%0.423SS*.EExtended strand (participates in β ladder)trans-83.6138.9175.8-175.2174.9-176.9-109.32.6111.1R285 L292R278-R285 HydrophobicContact CB-CG 4.3Å; R278-R285 HydrophobicContact CG-CG 4.34Å; R278-L292 WeakPolarHBondContact O-CD2 3.23Å
279C95.4Very high92.2Very high7 Ų786.5 Ų86.55%0.04744%0.437CS..  trans-79.2128.3166-173.90000110.1G283 R284 F286 L292 H299C279-G283 VanDerWaalsContact O-CA 3.27Å; C279-G283 WeakPolarHBondContact O-CA 3.42Å; C279-G283 PolarHBondContact O-N 3.16Å; C279-R284 WeakPolarHBondContact CB-O 3.31Å; C279-R284 PolarHBondContact N-O 3.24Å; C279-F286 HydrophobicContact CB-CE2 4.38Å; C279-L292 HydrophobicContact CB-CD1 3.59Å; C279-H299 PolarHBondContact SG-NE2 3.44Å
280A93.7Very high92.1Very high93 Ų9386.6 Ų86.677%0.76945%0.45SS*.THydrogen-bonded Turntrans-63.6-44178.100000112.2
281V94.1Very high92.2Very high111 Ų11184.9 Ų84.967%0.67344%0.437SS*.THydrogen-bonded Turntrans-67.3-45.8-172.8-176.50000113.1H299V281-H299 HydrophobicContact CG1-CB 4.48Å
282C94.8Very high92.3Very high52 Ų5282.2 Ų82.235%0.35143%0.425SS..THydrogen-bonded Turntrans-124.810-17071.10000114.3R284 H295C282-R284 PolarHBondContact O-N 2.86Å; C282-H295 PolarHBondContact SG-NE2 3.09Å
283G91.9Very high92.5Very high25 Ų2581.3 Ų81.326%0.25843%0.425SS..  trans67.3-12.4178.700000117.1C279C279-G283 VanDerWaalsContact O-CA 3.27Å; C279-G283 WeakPolarHBondContact O-CA 3.42Å; C279-G283 PolarHBondContact O-N 3.16Å
284R93.6Very high92.6Very high171 Ų17183.2 Ų83.265%0.64542%0.423SS*.  trans-57.3138.4-177.4-69.9-176.3175.5-163.6-2.3111.9C279 C282 F286C279-R284 WeakPolarHBondContact CB-O 3.31Å; C279-R284 PolarHBondContact N-O 3.24Å; C282-R284 PolarHBondContact O-N 2.86Å; R284-F286 HydrophobicContact CB-CE2 3.86Å; R284-F286 HydrophobicContact CB-CZ 4.09Å; R284-F286 WeakPolarHBondContact O-CE2 3.47Å
285R93.9Very high92.7Very high150 Ų15079.7 Ų79.757%0.56641%0.407SS*.EExtended strand (participates in β ladder)trans-111.1141-174.8-56.5-176.667.61482112.2K275 H277 R278K275-R285 HydrophobicContact CB-CB 3.59Å; K275-R285 PolarHBondContact O-NE 3.34Å; K275-R285 PolarHBondContact O-NH2 2.87Å; K275-R285 VanDerWaalsContact O-NH2 3.14Å; H277-R285 CarbonylContact O-C 3.5Å; H277-R285 WeakPolarHBondContact O-CA 3.38Å; R278-R285 HydrophobicContact CB-CG 4.3Å; R278-R285 HydrophobicContact CG-CG 4.34Å
286F91.6Very high92.7Very high43 Ų4375.8 Ų75.819%0.18940%0.397CS..EExtended strand (participates in β ladder)trans-127.9143.7-174.7-59.5-92.7000112K275 H277 C279 R284 H288 N291 L292 H295K275-F286 CarbonylContact C-O 3.55Å; K275-F286 WeakPolarHBondContact CA-O 3.2Å; H277-F286 HydrophobicContact CB-CB 4.4Å; H277-F286 WeakPolarHBondContact CB-O 3.42Å; H277-F286 PolarHBondContact CD2-O 2.81Å; H277-F286 PolarHBondContact N-O 3.39Å; H277-F286 VanDerWaalsContact N-O 3.1Å; H277-F286 PolarHBondContact O-N 2.79Å; C279-F286 HydrophobicContact CB-CE2 4.38Å; R284-F286 HydrophobicContact CB-CE2 3.86Å; R284-F286 HydrophobicContact CB-CZ 4.09Å; R284-F286 WeakPolarHBondContact O-CE2 3.47Å; F286-H288 VanDerWaalsContact C-N 3.28Å; F286-H288 PolarHBondContact O-N 2.88Å; F286-N291 HydrophobicContact CB-CB 4.43Å; F286-N291 HydrophobicContact CD1-CB 3.95Å; F286-L292 HydrophobicContact CB-CB 4.3Å; F286-L292 HydrophobicContact CD2-CB 3.99Å; F286-L292 HydrophobicContact CD2-CD1 3.89Å; F286-L292 HydrophobicContact CE2-CD1 4.05Å; F286-L292 HydrophobicContact CG-CB 4.23Å; F286-H295 HydrophobicContact CE1-CB 4Å; F286-H295 HydrophobicContact CE2-CB 4.18Å; F286-H295 AromaticContact CE2-CD2 3.38Å; F286-H295 WeakPolarHBondContact CE2-CD2 3.46Å; F286-H295 AromaticContact CE2-CG 3.98Å; F286-H295 HydrophobicContact CZ-CB 3.6Å; F286-H295 AromaticContact CZ-CD2 3.25Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.28Å; F286-H295 AromaticContact CZ-CG 3.44Å; F286-H295 VanDerWaalsContact CZ-CG 3.44Å
287G89.5Confident92.7Very high19 Ų1975.5 Ų75.520%0.19639%0.388CS..SBendtrans-72.3-17.4175.800000114.4R269R269-G287 PolarHBondContact NH1-O 2.85Å
288H89.4Confident92.6Very high74 Ų7476 Ų7634%0.34340%0.395SS..SBendtrans-137.2140.4-178.8-57.6-76.4000112.7F286 S290 N291 L292F286-H288 VanDerWaalsContact C-N 3.28Å; F286-H288 PolarHBondContact O-N 2.88Å; H288-S290 VanDerWaalsContact C-N 3.26Å; H288-S290 WeakPolarHBondContact CB-OG 3.47Å; H288-S290 PolarHBondContact O-N 2.98Å; H288-N291 PolarHBondContact O-N 2.86Å; H288-L292 PolarHBondContact O-N 3.26Å
289R90.9Very high92.4Very high202 Ų20271.9 Ų71.976%0.76238%0.383SS*.Hα-helixtrans-59.9-31.9175.1-175.2175.4177.4171.30.5113.2H277 N291 L292 A293H277-R289 PolarHBondContact CD2-N 3.33Å; H277-R289 VanDerWaalsContact CD2-N 3.27Å; H277-R289 PolarHBondContact NE2-N 3.06Å; R289-N291 PolarHBondContact O-N 2.87Å; R289-L292 PolarHBondContact O-N 2.87Å; R289-A293 WeakPolarHBondContact O-CB 3.4Å; R289-A293 PolarHBondContact O-N 3.46Å
290S90.7Very high92.2Very high77 Ų7775.7 Ų75.754%0.53841%0.405SS..Hα-helixtrans-57.2-47173.643.50000112.1H288 A293 E294H288-S290 VanDerWaalsContact C-N 3.26Å; H288-S290 WeakPolarHBondContact CB-OG 3.47Å; H288-S290 PolarHBondContact O-N 2.98Å; S290-A293 PolarHBondContact O-N 3.08Å; S290-E294 WeakPolarHBondContact O-CB 3.18Å; S290-E294 PolarHBondContact O-N 2.86Å
291N92.1Very high91.9Very high71 Ų7173.4 Ų73.438%0.3839%0.391SS..Hα-helixtrans-73.8-31.9-175.1-55.938.2000110.7F286 H288 R289 H295F286-N291 HydrophobicContact CB-CB 4.43Å; F286-N291 HydrophobicContact CD1-CB 3.95Å; H288-N291 PolarHBondContact O-N 2.86Å; R289-N291 PolarHBondContact O-N 2.87Å; N291-H295 VanDerWaalsContact O-CB 3.26Å; N291-H295 WeakPolarHBondContact O-CB 3.22Å; N291-H295 PolarHBondContact O-N 2.88Å
292L94.4Very high91.7Very high35 Ų3572.5 Ų72.518%0.18338%0.379CS..Hα-helixtrans-65.7-44.3168.8173.461.8000111.8H277 R278 C279 F286 H288 R289 H295 A296H277-L292 HydrophobicContact CB-CB 4.22Å; H277-L292 HydrophobicContact CB-CD2 3.87Å; R278-L292 WeakPolarHBondContact O-CD2 3.23Å; C279-L292 HydrophobicContact CB-CD1 3.59Å; F286-L292 HydrophobicContact CB-CB 4.3Å; F286-L292 HydrophobicContact CD2-CB 3.99Å; F286-L292 HydrophobicContact CD2-CD1 3.89Å; F286-L292 HydrophobicContact CE2-CD1 4.05Å; F286-L292 HydrophobicContact CG-CB 4.23Å; H288-L292 PolarHBondContact O-N 3.26Å; R289-L292 PolarHBondContact O-N 2.87Å; L292-H295 PolarHBondContact O-N 3.21Å; L292-A296 PolarHBondContact O-N 3.47Å
293A92.1Very high91.5Very high51 Ų5176.4 Ų76.442%0.42139%0.387SS..Hα-helixtrans-67.5-34.9178.900000112.6R289 S290R289-A293 WeakPolarHBondContact O-CB 3.4Å; R289-A293 PolarHBondContact O-N 3.46Å; S290-A293 PolarHBondContact O-N 3.08Å
294E92Very high91.4Very high80 Ų8078 Ų7837%0.37439%0.392SS..Hα-helixtrans-64.8-45169.5-177.6-172.8134.200111.6S290 A296 R297 L316S290-E294 WeakPolarHBondContact O-CB 3.18Å; S290-E294 PolarHBondContact O-N 2.86Å; E294-A296 VanDerWaalsContact C-N 3.34Å; E294-A296 PolarHBondContact O-N 3.4Å; E294-R297 WeakPolarHBondContact O-CB 3.19Å; E294-R297 PolarHBondContact O-N 3.08Å; E294-L316 VanDerWaalsContact CD-CD2 3.44Å; E294-L316 HydrophobicContact CG-CD2 3.98Å; E294-L316 HydrophobicContact CG-CG 4.19Å
295H93.1Very high91.4Very high22 Ų2273.2 Ų73.210%0.10238%0.375CS..Hα-helixtrans-64.2-35.5176.817443.1000112.8C282 F286 N291 L292 R297 T298 H299C282-H295 PolarHBondContact SG-NE2 3.09Å; F286-H295 HydrophobicContact CE1-CB 4Å; F286-H295 HydrophobicContact CE2-CB 4.18Å; F286-H295 AromaticContact CE2-CD2 3.38Å; F286-H295 WeakPolarHBondContact CE2-CD2 3.46Å; F286-H295 AromaticContact CE2-CG 3.98Å; F286-H295 HydrophobicContact CZ-CB 3.6Å; F286-H295 AromaticContact CZ-CD2 3.25Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.28Å; F286-H295 AromaticContact CZ-CG 3.44Å; F286-H295 VanDerWaalsContact CZ-CG 3.44Å; N291-H295 VanDerWaalsContact O-CB 3.26Å; N291-H295 WeakPolarHBondContact O-CB 3.22Å; N291-H295 PolarHBondContact O-N 2.88Å; L292-H295 PolarHBondContact O-N 3.21Å; H295-R297 PolarHBondContact O-N 3.25Å; H295-R297 VanDerWaalsContact O-N 3.09Å; H295-T298 PolarHBondContact CE1-OG1 2.9Å; H295-T298 VanDerWaalsContact CE1-OG1 3.23Å; H295-T298 PolarHBondContact ND1-OG1 3.43Å; H295-T298 VanDerWaalsContact ND1-OG1 3.1Å; H295-T298 WeakPolarHBondContact O-CB 3.46Å; H295-T298 PolarHBondContact O-N 2.94Å; H295-T298 PolarHBondContact O-OG1 3.31Å; H295-H299 AromaticContact CD2-NE2 3.95Å; H295-H299 AromaticContact CE1-CE1 3.56Å; H295-H299 AromaticContact CE1-NE2 3.34Å; H295-H299 PolarHBondContact CE1-NE2 3.03Å; H295-H299 VanDerWaalsContact CE1-NE2 3.34Å; H295-H299 AromaticContact NE2-CE1 3.74Å; H295-H299 AromaticContact NE2-NE2 3.15Å; H295-H299 PolarHBondContact NE2-NE2 3.34Å; H295-H299 VanDerWaalsContact NE2-NE2 3.15Å
296A92.3Very high91.2Very high37 Ų3769.2 Ų69.231%0.30637%0.369SS..Hα-helixtrans-54.2-32.8177.400000112.5L292 E294 T298 H299 T300L292-A296 PolarHBondContact O-N 3.47Å; E294-A296 VanDerWaalsContact C-N 3.34Å; E294-A296 PolarHBondContact O-N 3.4Å; A296-T298 PolarHBondContact O-N 3.45Å; A296-T298 VanDerWaalsContact O-N 3.16Å; A296-H299 WeakPolarHBondContact O-CB 3.24Å; A296-H299 PolarHBondContact O-N 3.28Å; A296-T300 PolarHBondContact O-N 3.16Å; A296-T300 VanDerWaalsContact O-N 3.15Å
297R92.5Very high91.1Very high51 Ų5167.3 Ų67.319%0.19236%0.361CS..THydrogen-bonded Turntrans-66.2-10.1174.6-53.7-172.1-168.9120.212.1115E294 H295 H299 G301 E302 R315E294-R297 WeakPolarHBondContact O-CB 3.19Å; E294-R297 PolarHBondContact O-N 3.08Å; H295-R297 PolarHBondContact O-N 3.25Å; H295-R297 VanDerWaalsContact O-N 3.09Å; R297-H299 VanDerWaalsContact C-N 3.32Å; R297-G301 PolarHBondContact O-N 3.41Å; R297-E302 HydrophobicContact CB-CB 3.99Å; R297-E302 HydrophobicContact CG-CB 3.91Å; R297-E302 IonicContact NE-OE2 3.41Å; R297-R315 PolarHBondContact NH1-O 3.35Å
298T91.7Very high90.9Very high64 Ų6471.7 Ų71.739%0.39340%0.395SS..THydrogen-bonded Turntrans-78.8-20.5169.170.10000112.2H295 A296H295-T298 PolarHBondContact CE1-OG1 2.9Å; H295-T298 VanDerWaalsContact CE1-OG1 3.23Å; H295-T298 PolarHBondContact ND1-OG1 3.43Å; H295-T298 VanDerWaalsContact ND1-OG1 3.1Å; H295-T298 WeakPolarHBondContact O-CB 3.46Å; H295-T298 PolarHBondContact O-N 2.94Å; H295-T298 PolarHBondContact O-OG1 3.31Å; A296-T298 PolarHBondContact O-N 3.45Å; A296-T298 VanDerWaalsContact O-N 3.16Å
299H91.1Very high90.4Very high75 Ų7571.6 Ų71.635%0.34739%0.394SS..THydrogen-bonded Turntrans-94.5-42.3177.5-51.4-48.6000111.3C279 V281 H295 A296 R297 G301C279-H299 PolarHBondContact SG-NE2 3.44Å; V281-H299 HydrophobicContact CG1-CB 4.48Å; H295-H299 AromaticContact CD2-NE2 3.95Å; H295-H299 AromaticContact CE1-CE1 3.56Å; H295-H299 AromaticContact CE1-NE2 3.34Å; H295-H299 PolarHBondContact CE1-NE2 3.03Å; H295-H299 VanDerWaalsContact CE1-NE2 3.34Å; H295-H299 AromaticContact NE2-CE1 3.74Å; H295-H299 AromaticContact NE2-NE2 3.15Å; H295-H299 PolarHBondContact NE2-NE2 3.34Å; H295-H299 VanDerWaalsContact NE2-NE2 3.15Å; A296-H299 WeakPolarHBondContact O-CB 3.24Å; A296-H299 PolarHBondContact O-N 3.28Å; R297-H299 VanDerWaalsContact C-N 3.32Å; H299-G301 VanDerWaalsContact C-N 3.29Å; H299-G301 PolarHBondContact O-N 2.68Å
300T89.6Confident90.2Very high86 Ų8664.3 Ų64.353%0.52837%0.374SS..SBendtrans-79.9-7.5176.762.60000114A296 E302A296-T300 PolarHBondContact O-N 3.16Å; A296-T300 VanDerWaalsContact O-N 3.15Å; T300-E302 WeakPolarHBondContact CB-OE1 3.49Å; T300-E302 PolarHBondContact O-N 3Å; T300-E302 VanDerWaalsContact O-N 3.09Å; T300-E302 VanDerWaalsContact OG1-CD 3.3Å; T300-E302 WeakPolarHBondContact OG1-CG 3.45Å; T300-E302 PolarHBondContact OG1-OE1 3.15Å
301G88.2Confident89.8Confident45 Ų4563.3 Ų63.346%0.46438%0.376SS..  trans70.1-2.7-176.700000115.4R297 H299 R303R297-G301 PolarHBondContact O-N 3.41Å; H299-G301 VanDerWaalsContact C-N 3.29Å; H299-G301 PolarHBondContact O-N 2.68Å; G301-R303 PolarHBondContact O-N 2.98Å
302E90.8Very high89.5Confident92 Ų9267.8 Ų67.843%0.4339%0.387SS..  trans-48.8127.9-173.9-85.3167.8-113.400114.3R297 T300 P304 R315R297-E302 HydrophobicContact CB-CB 3.99Å; R297-E302 HydrophobicContact CG-CB 3.91Å; R297-E302 IonicContact NE-OE2 3.41Å; T300-E302 WeakPolarHBondContact CB-OE1 3.49Å; T300-E302 PolarHBondContact O-N 3Å; T300-E302 VanDerWaalsContact O-N 3.09Å; T300-E302 VanDerWaalsContact OG1-CD 3.3Å; T300-E302 WeakPolarHBondContact OG1-CG 3.45Å; T300-E302 PolarHBondContact OG1-OE1 3.15Å; E302-P304 HydrophobicContact CB-CG 4.48Å; E302-R315 WeakPolarHBondContact O-CG 3.4Å
303R89.6Confident89.4Confident135 Ų13572.2 Ų72.251%0.50940%0.402SS..  trans-125.579.3173-65.2161.481.3166.52.6109.7G301 Y305 R313 F314 R315G301-R303 PolarHBondContact O-N 2.98Å; R303-Y305 PolarHBondContact O-N 3.23Å; R303-R313 HydrophobicContact CB-CB 3.56Å; R303-R313 HydrophobicContact CG-CB 4.47Å; R303-R313 VanDerWaalsContact CZ-O 3.25Å; R303-R313 PolarHBondContact NE-O 3.22Å; R303-R313 PolarHBondContact NH2-O 3.17Å; R303-R313 PolarHBondContact O-NE 3.46Å; R303-R313 PolarHBondContact O-NH2 3.36Å; R303-R313 VanDerWaalsContact O-NH2 3.13Å; R303-F314 CarbonylContact C-O 3.28Å; R303-F314 VanDerWaalsContact C-O 3.28Å; R303-F314 VanDerWaalsContact CA-O 3.29Å; R303-F314 WeakPolarHBondContact CA-O 3.38Å; R303-R315 HydrophobicContact CG-CG 3.89Å
304P90.6Very high89.2Confident57 Ų5771.8 Ų71.837%0.3739%0.39SS..  trans-70.5-13.9-172.3-20.234.3000114.8E302 P306 F314E302-P304 HydrophobicContact CB-CG 4.48Å; P304-P306 WeakPolarHBondContact O-CD 3.29Å; P304-F314 WeakPolarHBondContact CD-O 3.42Å
305Y92.3Very high89.1Confident71 Ų7174.2 Ų74.228%0.27840%0.396SS..EExtended strand (participates in β ladder)trans-109.887.5-174-52.3-75.7000110.8R303 R313 F314 L316 S317 F320R303-Y305 PolarHBondContact O-N 3.23Å; Y305-R313 CarbonylContact O-C 3.53Å; Y305-R313 WeakPolarHBondContact O-CA 3.47Å; Y305-F314 WeakPolarHBondContact CD2-O 3.43Å; Y305-F314 PolarHBondContact N-O 3.43Å; Y305-F314 PolarHBondContact O-N 2.82Å; Y305-L316 VanDerWaalsContact CD2-C 3.44Å; Y305-S317 VanDerWaalsContact CE2-N 3.33Å; Y305-F320 HydrophobicContact CG-CB 4.47Å
306P90.6Very high88.9Confident67 Ų6774.6 Ų74.644%0.43540%0.399SS..EExtended strand (participates in β ladder)trans-74.1148.2171.832.2-35.3000111.5P304 R313 F320P304-P306 WeakPolarHBondContact O-CD 3.29Å; P306-R313 HydrophobicContact CB-CG 4.22Å; P306-F320 WeakPolarHBondContact O-CE2 3.33Å
307C88.8Confident88.8Confident3 Ų375.2 Ų75.22%0.0240%0.401CS..  trans-99.3115.3166.9-174.50000109.7E309 C310 G311 R312 F314 F320 H327C307-E309 PolarHBondContact O-N 2.87Å; C307-C310 PolarHBondContact O-N 2.86Å; C307-G311 VanDerWaalsContact O-CA 3.3Å; C307-G311 WeakPolarHBondContact O-CA 3.41Å; C307-G311 PolarHBondContact O-N 2.98Å; C307-R312 VanDerWaalsContact CB-O 3.29Å; C307-R312 WeakPolarHBondContact CB-O 3.32Å; C307-R312 PolarHBondContact N-O 3.32Å; C307-F314 HydrophobicContact CB-CE2 4.44Å; C307-F320 HydrophobicContact CB-CD2 4.38Å; C307-F320 HydrophobicContact CB-CE2 4.04Å; C307-H327 PolarHBondContact SG-NE2 3.3Å
308A86Confident88.7Confident111 Ų11175.8 Ų75.892%0.91741%0.412SS*.THydrogen-bonded Turntrans-61.6-33178.300000112.7C310A308-C310 VanDerWaalsContact C-N 3.31Å; A308-C310 PolarHBondContact O-N 3.04Å
309E79.6Confident88.7Confident71 Ų7176.5 Ų76.533%0.33241%0.411SS..THydrogen-bonded Turntrans-72.6-15.7-176.2-62.7172.8-94.600114.2C307 H327 R331C307-E309 PolarHBondContact O-N 2.87Å; E309-H327 IonicContact OE1-CD2 3.35Å; E309-H327 IonicContact OE1-CG 3.5Å; E309-H327 WeakPolarHBondContact OE2-CB 3.4Å; E309-H327 IonicContact OE2-CG 3.09Å; E309-R331 IonicContact OE2-CZ 3.71Å; E309-R331 IonicContact OE2-NE 3.92Å; E309-R331 IonicContact OE2-NH1 2.58Å; E309-R331 PolarHBondContact OE2-NH1 2.89Å
310C85.8Confident88.7Confident49 Ų4974.7 Ų74.733%0.33140%0.402SS..THydrogen-bonded Turntrans-158.820.2-179.468.40000115.7C307 A308 R312 H323 H327C307-C310 PolarHBondContact O-N 2.86Å; A308-C310 VanDerWaalsContact C-N 3.31Å; A308-C310 PolarHBondContact O-N 3.04Å; C310-R312 PolarHBondContact O-N 3.32Å; C310-H323 PolarHBondContact SG-NE2 3.25Å; C310-H327 WeakPolarHBondContact CB-CE1 3.37Å; C310-H327 PolarHBondContact SG-CE1 3.44Å; C310-H327 PolarHBondContact SG-NE2 3.38Å
311G83.1Confident88.7Confident56 Ų5674 Ų7458%0.57740%0.395SS*.  trans66.6-17.3-179.800000116.6C307 R313C307-G311 VanDerWaalsContact O-CA 3.3Å; C307-G311 WeakPolarHBondContact O-CA 3.41Å; C307-G311 PolarHBondContact O-N 2.98Å; G311-R313 WeakPolarHBondContact O-CG 3.49Å; G311-R313 PolarHBondContact O-N 3.19Å
312R86.4Confident88.8Confident166 Ų16679.9 Ų79.963%0.62640%0.403SS*.  trans-59.8119.2-172.5-69.4-175.1179.4-155.6-1.9111.7C307 C310 F314C307-R312 VanDerWaalsContact CB-O 3.29Å; C307-R312 WeakPolarHBondContact CB-O 3.32Å; C307-R312 PolarHBondContact N-O 3.32Å; C310-R312 PolarHBondContact O-N 3.32Å; R312-F314 HydrophobicContact CB-CE2 3.98Å; R312-F314 HydrophobicContact CB-CZ 4.11Å; R312-F314 WeakPolarHBondContact O-CD2 3.47Å; R312-F314 WeakPolarHBondContact O-CE2 3.45Å
313R91.2Very high88.6Confident128 Ų12877.1 Ų77.148%0.48339%0.39SS..EExtended strand (participates in β ladder)trans-96.5145.9178.6-47.9-174.666.1125-0.9112.4R303 Y305 P306 G311R303-R313 HydrophobicContact CB-CB 3.56Å; R303-R313 HydrophobicContact CG-CB 4.47Å; R303-R313 VanDerWaalsContact CZ-O 3.25Å; R303-R313 PolarHBondContact NE-O 3.22Å; R303-R313 PolarHBondContact NH2-O 3.17Å; R303-R313 PolarHBondContact O-NE 3.46Å; R303-R313 PolarHBondContact O-NH2 3.36Å; R303-R313 VanDerWaalsContact O-NH2 3.13Å; Y305-R313 CarbonylContact O-C 3.53Å; Y305-R313 WeakPolarHBondContact O-CA 3.47Å; P306-R313 HydrophobicContact CB-CG 4.22Å; G311-R313 WeakPolarHBondContact O-CG 3.49Å; G311-R313 PolarHBondContact O-N 3.19Å
314F88.5Confident88.4Confident42 Ų4276 Ų7618%0.18439%0.386CS..EExtended strand (participates in β ladder)trans-125.9146.8-179.9-58.2-93.2000111.8R303 P304 Y305 C307 R312 H319 F320 H323R303-F314 CarbonylContact C-O 3.28Å; R303-F314 VanDerWaalsContact C-O 3.28Å; R303-F314 VanDerWaalsContact CA-O 3.29Å; R303-F314 WeakPolarHBondContact CA-O 3.38Å; P304-F314 WeakPolarHBondContact CD-O 3.42Å; Y305-F314 WeakPolarHBondContact CD2-O 3.43Å; Y305-F314 PolarHBondContact N-O 3.43Å; Y305-F314 PolarHBondContact O-N 2.82Å; C307-F314 HydrophobicContact CB-CE2 4.44Å; R312-F314 HydrophobicContact CB-CE2 3.98Å; R312-F314 HydrophobicContact CB-CZ 4.11Å; R312-F314 WeakPolarHBondContact O-CD2 3.47Å; R312-F314 WeakPolarHBondContact O-CE2 3.45Å; F314-H319 HydrophobicContact CD1-CB 3.92Å; F314-F320 HydrophobicContact CB-CB 4.14Å; F314-F320 HydrophobicContact CD2-CB 3.92Å; F314-F320 HydrophobicContact CD2-CD2 4.09Å; F314-F320 HydrophobicContact CD2-CG 4.49Å; F314-F320 HydrophobicContact CE2-CD2 4.39Å; F314-F320 HydrophobicContact CG-CB 4.13Å; F314-H323 HydrophobicContact CE1-CB 4.16Å; F314-H323 HydrophobicContact CE2-CB 4.11Å; F314-H323 AromaticContact CE2-CD2 3.31Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.23Å; F314-H323 AromaticContact CE2-CG 3.86Å; F314-H323 HydrophobicContact CZ-CB 3.63Å; F314-H323 AromaticContact CZ-CD2 3.33Å; F314-H323 WeakPolarHBondContact CZ-CD2 3.29Å; F314-H323 AromaticContact CZ-CG 3.42Å; F314-H323 VanDerWaalsContact CZ-CG 3.42Å
315R88.9Confident88.2Confident131 Ų13181.3 Ų81.349%0.49440%0.399SS..SBendtrans-74.9-15.4171.8-47.2-172.8-164.3131.41.1113.1R297 E302 R303R297-R315 PolarHBondContact NH1-O 3.35Å; E302-R315 WeakPolarHBondContact O-CG 3.4Å; R303-R315 HydrophobicContact CG-CG 3.89Å
316L89.1Confident87.7Confident30 Ų3080 Ų8016%0.15740%0.403CS..  trans-134.3130.7-164.9-103.2174.4000111.2E294 Y305 H319 F320E294-L316 VanDerWaalsContact CD-CD2 3.44Å; E294-L316 HydrophobicContact CG-CD2 3.98Å; E294-L316 HydrophobicContact CG-CG 4.19Å; Y305-L316 VanDerWaalsContact CD2-C 3.44Å; L316-H319 HydrophobicContact CB-CB 4.01Å; L316-H319 PolarHBondContact O-N 3.4Å; L316-F320 PolarHBondContact O-N 2.9Å; L316-F320 VanDerWaalsContact O-N 3.08Å
317S91.3Very high87Confident50 Ų5079.2 Ų79.235%0.3539%0.393SS..Hα-helixtrans-65.8-36.9176.654.20000112.2Y305 H319 F320 I321Y305-S317 VanDerWaalsContact CE2-N 3.33Å; S317-H319 PolarHBondContact O-N 3.44Å; S317-F320 PolarHBondContact O-N 2.97Å; S317-I321 WeakPolarHBondContact O-CB 3.26Å; S317-I321 WeakPolarHBondContact O-CD1 3.39Å; S317-I321 VanDerWaalsContact O-CG1 3.23Å; S317-I321 WeakPolarHBondContact O-CG1 3.4Å; S317-I321 PolarHBondContact O-N 2.84Å
318S90.6Very high86.1Confident62 Ų6284 Ų8443%0.43442%0.416SS..Hα-helixtrans-59.8-43.2175.256.70000112.3R322S318-R322 WeakPolarHBondContact O-CB 3.47Å; S318-R322 PolarHBondContact O-N 3.16Å
319H91Very high85Confident79 Ų7989 Ų8937%0.36641%0.411SS..Hα-helixtrans-68.5-41.8177-70.1-174.6000111.7F314 L316 S317 R322 H323F314-H319 HydrophobicContact CD1-CB 3.92Å; L316-H319 HydrophobicContact CB-CB 4.01Å; L316-H319 PolarHBondContact O-N 3.4Å; S317-H319 PolarHBondContact O-N 3.44Å; H319-R322 PolarHBondContact CD2-NH2 3.03Å; H319-R322 PolarHBondContact NE2-NH2 3.47Å; H319-R322 PolarHBondContact O-N 3Å; H319-H323 WeakPolarHBondContact O-CB 3.4Å; H319-H323 PolarHBondContact O-N 2.91Å
320F91.7Very high84.1Confident37 Ų3795.4 Ų95.416%0.16243%0.432CS..Hα-helixtrans-60.8-46.8172.9168.4-119.5000112.5Y305 P306 C307 F314 L316 S317 R322 H323 R324Y305-F320 HydrophobicContact CG-CB 4.47Å; P306-F320 WeakPolarHBondContact O-CE2 3.33Å; C307-F320 HydrophobicContact CB-CD2 4.38Å; C307-F320 HydrophobicContact CB-CE2 4.04Å; F314-F320 HydrophobicContact CB-CB 4.14Å; F314-F320 HydrophobicContact CD2-CB 3.92Å; F314-F320 HydrophobicContact CD2-CD2 4.09Å; F314-F320 HydrophobicContact CD2-CG 4.49Å; F314-F320 HydrophobicContact CE2-CD2 4.39Å; F314-F320 HydrophobicContact CG-CB 4.13Å; L316-F320 PolarHBondContact O-N 2.9Å; L316-F320 VanDerWaalsContact O-N 3.08Å; S317-F320 PolarHBondContact O-N 2.97Å; F320-R322 PolarHBondContact O-N 2.87Å; F320-H323 WeakPolarHBondContact O-CB 3.31Å; F320-H323 PolarHBondContact O-N 2.79Å; F320-R324 PolarHBondContact O-N 3.05Å
321I89.7Confident82.7Confident73 Ų7399.3 Ų99.337%0.37444%0.44SS..Hα-helixtrans-64.1-42.1179-69.3163.3000111.1S317 H323 R324 R325S317-I321 WeakPolarHBondContact O-CB 3.26Å; S317-I321 WeakPolarHBondContact O-CD1 3.39Å; S317-I321 VanDerWaalsContact O-CG1 3.23Å; S317-I321 WeakPolarHBondContact O-CG1 3.4Å; S317-I321 PolarHBondContact O-N 2.84Å; I321-H323 VanDerWaalsContact C-N 3.31Å; I321-H323 PolarHBondContact O-N 3.39Å; I321-R324 PolarHBondContact O-N 3.49Å; I321-R325 WeakPolarHBondContact O-CG 3.21Å; I321-R325 PolarHBondContact O-N 3.28Å
322R88.6Confident81.7Confident167 Ų167100.6 Ų100.663%0.6343%0.434SS*.Hα-helixtrans-60.6-40.6173.7-178.4170.663-166.4-3.9111.6S318 H319 F320 A326S318-R322 WeakPolarHBondContact O-CB 3.47Å; S318-R322 PolarHBondContact O-N 3.16Å; H319-R322 PolarHBondContact CD2-NH2 3.03Å; H319-R322 PolarHBondContact NE2-NH2 3.47Å; H319-R322 PolarHBondContact O-N 3Å; F320-R322 PolarHBondContact O-N 2.87Å; R322-A326 PolarHBondContact O-N 3.18Å
323H88.2Confident80.7Confident35 Ų3596.1 Ų96.116%0.16242%0.417CS..Hα-helixtrans-67.9-45.5176.217358.1000112.8C310 F314 H319 F320 I321 R325 A326 H327C310-H323 PolarHBondContact SG-NE2 3.25Å; F314-H323 HydrophobicContact CE1-CB 4.16Å; F314-H323 HydrophobicContact CE2-CB 4.11Å; F314-H323 AromaticContact CE2-CD2 3.31Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.23Å; F314-H323 AromaticContact CE2-CG 3.86Å; F314-H323 HydrophobicContact CZ-CB 3.63Å; F314-H323 AromaticContact CZ-CD2 3.33Å; F314-H323 WeakPolarHBondContact CZ-CD2 3.29Å; F314-H323 AromaticContact CZ-CG 3.42Å; F314-H323 VanDerWaalsContact CZ-CG 3.42Å; H319-H323 WeakPolarHBondContact O-CB 3.4Å; H319-H323 PolarHBondContact O-N 2.91Å; F320-H323 WeakPolarHBondContact O-CB 3.31Å; F320-H323 PolarHBondContact O-N 2.79Å; I321-H323 VanDerWaalsContact C-N 3.31Å; I321-H323 PolarHBondContact O-N 3.39Å; H323-R325 VanDerWaalsContact C-N 3.28Å; H323-R325 PolarHBondContact O-N 3.23Å; H323-A326 WeakPolarHBondContact O-CA 3.36Å; H323-A326 VanDerWaalsContact O-CB 3.28Å; H323-A326 WeakPolarHBondContact O-CB 3.43Å; H323-A326 PolarHBondContact O-N 2.91Å; H323-H327 AromaticContact CD2-NE2 3.71Å; H323-H327 AromaticContact CE1-CD2 3.9Å; H323-H327 AromaticContact CE1-NE2 3.14Å; H323-H327 PolarHBondContact CE1-NE2 3.03Å; H323-H327 AromaticContact NE2-CD2 3.79Å; H323-H327 AromaticContact NE2-NE2 2.7Å; H323-H327 PolarHBondContact NE2-NE2 3.17Å; H323-H327 PolarHBondContact O-N 2.97Å
324R85.4Confident79.5Confident112 Ų11296.4 Ų96.442%0.42343%0.427SS..Hα-helixtrans-61.8-35.9177.5-161.7-17978.8-174.97.7112.2F320 I321 A326 H327 M328F320-R324 PolarHBondContact O-N 3.05Å; I321-R324 PolarHBondContact O-N 3.49Å; R324-A326 PolarHBondContact O-N 2.86Å; R324-H327 PolarHBondContact O-N 3.28Å; R324-M328 PolarHBondContact O-N 2.77Å; R324-M328 VanDerWaalsContact O-N 3.15Å
325R85.3Confident78.7Confident168 Ų16894.4 Ų94.463%0.63442%0.418SS*.Hα-helixtrans-62.9-28.3171.2-73.8173.7178.8-175.2-1113.1I321 H323 R329I321-R325 WeakPolarHBondContact O-CG 3.21Å; I321-R325 PolarHBondContact O-N 3.28Å; H323-R325 VanDerWaalsContact C-N 3.28Å; H323-R325 PolarHBondContact O-N 3.23Å; R325-R329 WeakPolarHBondContact O-CG 3.42Å; R325-R329 PolarHBondContact O-N 3.36Å
326A81.4Confident77.8Confident44 Ų4491.8 Ų91.836%0.36443%0.425SS..Hα-helixtrans-74.3-34.8175.900000112.4R322 H323 R324 R329 R330R322-A326 PolarHBondContact O-N 3.18Å; H323-A326 WeakPolarHBondContact O-CA 3.36Å; H323-A326 VanDerWaalsContact O-CB 3.28Å; H323-A326 WeakPolarHBondContact O-CB 3.43Å; H323-A326 PolarHBondContact O-N 2.91Å; R324-A326 PolarHBondContact O-N 2.86Å; A326-R329 PolarHBondContact O-N 3.41Å; A326-R330 WeakPolarHBondContact O-CB 3.45Å; A326-R330 WeakPolarHBondContact O-CG 3.41Å; A326-R330 PolarHBondContact O-N 3.42Å; A326-R330 VanDerWaalsContact O-N 3.11Å
327H77.5Confident76.9Confident49 Ų4992.6 Ų92.623%0.22744%0.44CS..Hα-helixtrans-62.7-46.7169.3-72.7-59.2000111.4C307 E309 C310 H323 R324 R329 R330 R331C307-H327 PolarHBondContact SG-NE2 3.3Å; E309-H327 IonicContact OE1-CD2 3.35Å; E309-H327 IonicContact OE1-CG 3.5Å; E309-H327 WeakPolarHBondContact OE2-CB 3.4Å; E309-H327 IonicContact OE2-CG 3.09Å; C310-H327 WeakPolarHBondContact CB-CE1 3.37Å; C310-H327 PolarHBondContact SG-CE1 3.44Å; C310-H327 PolarHBondContact SG-NE2 3.38Å; H323-H327 AromaticContact CD2-NE2 3.71Å; H323-H327 AromaticContact CE1-CD2 3.9Å; H323-H327 AromaticContact CE1-NE2 3.14Å; H323-H327 PolarHBondContact CE1-NE2 3.03Å; H323-H327 AromaticContact NE2-CD2 3.79Å; H323-H327 AromaticContact NE2-NE2 2.7Å; H323-H327 PolarHBondContact NE2-NE2 3.17Å; H323-H327 PolarHBondContact O-N 2.97Å; R324-H327 PolarHBondContact O-N 3.28Å; H327-R329 VanDerWaalsContact C-N 3.31Å; H327-R329 PolarHBondContact O-N 3.43Å; H327-R330 CarbonylContact O-C 3.24Å; H327-R330 PolarHBondContact O-N 3.44Å; H327-R331 WeakPolarHBondContact O-CG 3.46Å; H327-R331 PolarHBondContact O-N 2.95Å
328M69.9Low76.4Confident105 Ų10592.6 Ų92.652%0.51744%0.44SS..Hα-helixtrans-59.3-39.1176.5-69.4169.5163.500112.7R324 R330 R331R324-M328 PolarHBondContact O-N 2.77Å; R324-M328 VanDerWaalsContact O-N 3.15Å; M328-R330 VanDerWaalsContact C-N 3.32Å; M328-R330 PolarHBondContact O-N 3.34Å; M328-R331 PolarHBondContact O-N 3.24Å
329R61.8Low75.4Confident215 Ų21592.5 Ų92.581%0.81145%0.448SS*.Hα-helixtrans-73.1-18174.8-76.6-179.5172.5-170.8-5.3114.7R325 A326 H327R325-R329 WeakPolarHBondContact O-CG 3.42Å; R325-R329 PolarHBondContact O-N 3.36Å; A326-R329 PolarHBondContact O-N 3.41Å; H327-R329 VanDerWaalsContact C-N 3.31Å; H327-R329 PolarHBondContact O-N 3.43Å
330R59.8Low74.6Confident205 Ų20596.4 Ų96.477%0.77446%0.46SS*.THydrogen-bonded Turntrans-96.610.9175.5-75.6-179.7164.3-158-7.9113A326 H327 M328A326-R330 WeakPolarHBondContact O-CB 3.45Å; A326-R330 WeakPolarHBondContact O-CG 3.41Å; A326-R330 PolarHBondContact O-N 3.42Å; A326-R330 VanDerWaalsContact O-N 3.11Å; H327-R330 CarbonylContact O-C 3.24Å; H327-R330 PolarHBondContact O-N 3.44Å; M328-R330 VanDerWaalsContact C-N 3.32Å; M328-R330 PolarHBondContact O-N 3.34Å
331R57.5Low73.7Confident131 Ų13199.9 Ų99.949%0.49448%0.48SS..SBendtrans-120.79.5-177.5-81.4178.5150.5-171.5-17.2113.7E309 H327 M328E309-R331 IonicContact OE2-CZ 3.71Å; E309-R331 IonicContact OE2-NE 3.92Å; E309-R331 IonicContact OE2-NH1 2.58Å; E309-R331 PolarHBondContact OE2-NH1 2.89Å; H327-R331 WeakPolarHBondContact O-CG 3.46Å; H327-R331 PolarHBondContact O-N 2.95Å; M328-R331 PolarHBondContact O-N 3.24Å
332L62.8Low72.7Confident84 Ų8497.7 Ų97.744%0.4447%0.468SS..EExtended strand (participates in β ladder)trans-104.9124.6169.1-63.1175.6000108.2F342 K343L332-F342 WeakPolarHBondContact CA-O 3.47Å; L332-K343 HydrophobicContact CD2-CG 3.87Å
333Y65.4Low71.7Confident71 Ų7197.6 Ų97.628%0.27847%0.472SS..EExtended strand (participates in β ladder)trans-114.2147.8176.7-69-102.9000108.1D341 F342 L344 A350Y333-D341 CarbonylContact O-C 3.56Å; Y333-D341 WeakPolarHBondContact O-CA 3.4Å; Y333-F342 PolarHBondContact N-O 3.27Å; Y333-F342 VanDerWaalsContact O-CD1 3.24Å; Y333-F342 WeakPolarHBondContact O-CD1 3.3Å; Y333-F342 PolarHBondContact O-N 3.23Å; Y333-L344 HydrophobicContact CD1-CD1 4.39Å; Y333-L344 HydrophobicContact CD2-CD1 3.88Å; Y333-L344 HydrophobicContact CD2-CG 3.77Å; Y333-L344 HydrophobicContact CE1-CD1 3.95Å; Y333-L344 HydrophobicContact CE2-CB 4.34Å; Y333-L344 HydrophobicContact CE2-CD1 3.39Å; Y333-L344 HydrophobicContact CE2-CG 3.75Å; Y333-L344 HydrophobicContact CG-CD1 4.37Å; Y333-L344 HydrophobicContact CG-CG 4.31Å; Y333-L344 VanDerWaalsContact CZ-CD1 3.43Å; Y333-A350 HydrophobicContact CE1-CB 4.34Å
334I65.4Low70.4Confident134 Ų13497.7 Ų97.769%0.68747%0.474SS*.EExtended strand (participates in β ladder)trans-95.4126.8178.8-58.1174.7000107.7A336I334-A336 PolarHBondContact O-N 3.06Å
335C71.9Confident68.9Low1 Ų196.6 Ų96.61%0.00748%0.481CS..  trans-72.5120.1173.9175.10000110.2G337 C338 G339 R340 F342 E355 C357C335-G337 PolarHBondContact O-N 3Å; C335-G337 PolarHBondContact SG-N 3.47Å; C335-C338 PolarHBondContact O-N 3.1Å; C335-C338 PolarHBondContact SG-N 3.05Å; C335-C338 PolarHBondContact SG-SG 3.33Å; C335-G339 VanDerWaalsContact O-CA 3.32Å; C335-G339 WeakPolarHBondContact O-CA 3.21Å; C335-G339 PolarHBondContact O-N 3.46Å; C335-R340 PolarHBondContact N-O 3.43Å; C335-F342 HydrophobicContact CB-CD1 4.05Å; C335-F342 HydrophobicContact CB-CE1 4.05Å; C335-E355 CarbonylContact C-O 3.3Å; C335-C357 HydrophobicContact CB-CB 4.04Å; C335-C357 PolarHBondContact SG-N 3.15Å; C335-C357 VanDerWaalsContact SG-SG 3.62Å
336A69.9Low67.2Low76 Ų7694.5 Ų94.563%0.62849%0.489SS*.THydrogen-bonded Turntrans-63.9-25.5174.800000112.8I334 E355I334-A336 PolarHBondContact O-N 3.06Å; A336-E355 HydrophobicContact CB-CB 4.02Å; A336-E355 WeakPolarHBondContact CB-O 3.4Å; A336-E355 PolarHBondContact N-O 3.49Å
337G70.3Confident65.9Low47 Ų4796 Ų9649%0.48551%0.509SS..THydrogen-bonded Turntrans-80.2-24.7178.600000115.5C335C335-G337 PolarHBondContact O-N 3Å; C335-G337 PolarHBondContact SG-N 3.47Å
338C80.2Confident64.8Low50 Ų5095.4 Ų95.434%0.33851%0.512SS..THydrogen-bonded Turntrans-143.11.7-174.573.70000116C335 R340C335-C338 PolarHBondContact O-N 3.1Å; C335-C338 PolarHBondContact SG-N 3.05Å; C335-C338 PolarHBondContact SG-SG 3.33Å; C338-R340 PolarHBondContact O-N 3.27Å; C338-R340 VanDerWaalsContact O-N 3.07Å
339G70.6Confident64Low59 Ų5994 Ų9461%0.60851%0.51SS*.  trans70-3.4177.100000116.3C335C335-G339 VanDerWaalsContact O-CA 3.32Å; C335-G339 WeakPolarHBondContact O-CA 3.21Å; C335-G339 PolarHBondContact O-N 3.46Å
340R73.8Confident63.6Low161 Ų16187.3 Ų87.361%0.60850%0.5SS*.  trans-79.2152.2-178-62.2179.7-178.7170.60112.2C335 C338 E359C335-R340 PolarHBondContact N-O 3.43Å; C338-R340 PolarHBondContact O-N 3.27Å; C338-R340 VanDerWaalsContact O-N 3.07Å; R340-E359 IonicContact NH1-OE2 2.9Å
341D71.6Confident63.2Low111 Ų11182.1 Ų82.159%0.59450%0.501SS*.EExtended strand (participates in β ladder)trans-81.1131.9171.268.3-61.1000111.8Y333Y333-D341 CarbonylContact O-C 3.56Å; Y333-D341 WeakPolarHBondContact O-CA 3.4Å
342F69.8Low62.9Low27 Ų2780.5 Ų80.512%0.11851%0.506CS..EExtended strand (participates in β ladder)trans-134.2164.3176.676.2-76.6000111.9L332 Y333 C335 L344 C357L332-F342 WeakPolarHBondContact CA-O 3.47Å; Y333-F342 PolarHBondContact N-O 3.27Å; Y333-F342 VanDerWaalsContact O-CD1 3.24Å; Y333-F342 WeakPolarHBondContact O-CD1 3.3Å; Y333-F342 PolarHBondContact O-N 3.23Å; C335-F342 HydrophobicContact CB-CD1 4.05Å; C335-F342 HydrophobicContact CB-CE1 4.05Å; F342-L344 HydrophobicContact CE2-CD2 4.26Å; F342-C357 HydrophobicContact CB-CB 3.97Å; F342-C357 HydrophobicContact CD1-CB 3.81Å; F342-C357 HydrophobicContact CD2-CB 3.95Å; F342-C357 HydrophobicContact CE1-CB 4.22Å; F342-C357 HydrophobicContact CE2-CB 4.33Å; F342-C357 HydrophobicContact CG-CB 3.66Å; F342-C357 HydrophobicContact CZ-CB 4.46Å
343K67.4Low62.6Low165 Ų16577.9 Ų77.972%0.71750%0.496SS*.EExtended strand (participates in β ladder)trans-108.1129.9-179.3-63.5163.3-168.8151.80109L332L332-K343 HydrophobicContact CD2-CG 3.87Å
344L59.8Low62.3Low37 Ų3778.3 Ų78.319%0.19451%0.507CS..  trans-66.1145.5167.4-75.1177.7000111.2Y333 F342 A348 A353Y333-L344 HydrophobicContact CD1-CD1 4.39Å; Y333-L344 HydrophobicContact CD2-CD1 3.88Å; Y333-L344 HydrophobicContact CD2-CG 3.77Å; Y333-L344 HydrophobicContact CE1-CD1 3.95Å; Y333-L344 HydrophobicContact CE2-CB 4.34Å; Y333-L344 HydrophobicContact CE2-CD1 3.39Å; Y333-L344 HydrophobicContact CE2-CG 3.75Å; Y333-L344 HydrophobicContact CG-CD1 4.37Å; Y333-L344 HydrophobicContact CG-CG 4.31Å; Y333-L344 VanDerWaalsContact CZ-CD1 3.43Å; F342-L344 HydrophobicContact CE2-CD2 4.26Å; L344-A348 HydrophobicContact CB-CB 4.2Å; L344-A348 HydrophobicContact CD1-CB 4.27Å; L344-A348 HydrophobicContact CD2-CB 4.31Å; L344-A353 HydrophobicContact CD1-CB 3.73Å; L344-A353 HydrophobicContact CD2-CB 3.88Å; L344-A353 HydrophobicContact CG-CB 4.39Å
345P55Low62.1Low88 Ų8879.3 Ų79.357%0.57151%0.509SS*.  trans-64.4153.7173.727.8-34.5000111.6G347 A348P345-G347 PolarHBondContact O-N 2.85Å; P345-A348 HydrophobicContact CG-CB 4.23Å; P345-A348 PolarHBondContact O-N 3.09Å
346P49.7Very low61.8Low125 Ų12585.6 Ų85.681%0.81253%0.532SS*.THydrogen-bonded Turntrans-66.8104.1-177.928-34.6000111.3
347G54.3Low61.8Low75 Ų7582.3 Ų82.377%0.77350%0.504SS*.THydrogen-bonded Turntrans137.1-29.5-179.700000112.7P345P345-G347 PolarHBondContact O-N 2.85Å
348A54Low61.7Low37 Ų3784.6 Ų84.631%0.30651%0.511SS..  trans-67.2139.1175.500000111.6L344 P345L344-A348 HydrophobicContact CB-CB 4.2Å; L344-A348 HydrophobicContact CD1-CB 4.27Å; L344-A348 HydrophobicContact CD2-CB 4.31Å; P345-A348 HydrophobicContact CG-CB 4.23Å; P345-A348 PolarHBondContact O-N 3.09Å
349T54Low61Low75 Ų7588.7 Ų88.746%0.4653%0.525SS..  trans-99.1166173.174.40000110.2A351 T352 A353T349-A351 PolarHBondContact O-N 3.4Å; T349-A351 VanDerWaalsContact O-N 3.15Å; T349-A351 PolarHBondContact OG1-N 2.75Å; T349-T352 PolarHBondContact N-OG1 3.43Å; T349-T352 CarbonylContact O-C 3.55Å; T349-T352 PolarHBondContact O-N 2.78Å; T349-T352 PolarHBondContact O-OG1 2.85Å; T349-T352 PolarHBondContact OG1-N 3.37Å; T349-T352 PolarHBondContact OG1-OG1 2.85Å; T349-A353 PolarHBondContact O-N 2.95Å
350A52.7Low60.9Low74 Ų7487.1 Ų87.161%0.61250%0.504SS*.THydrogen-bonded Turntrans-63.5-16.3174.100000113.7Y333Y333-A350 HydrophobicContact CE1-CB 4.34Å
351A51.2Low60.5Low97 Ų9784.4 Ų84.480%0.80250%0.499SS*.THydrogen-bonded Turntrans-91.2-6.5174.900000113.3T349T349-A351 PolarHBondContact O-N 3.4Å; T349-A351 VanDerWaalsContact O-N 3.15Å; T349-A351 PolarHBondContact OG1-N 2.75Å
352T51.5Low59.9Low96 Ų9682.4 Ų82.459%0.58950%0.504SS*.SBendtrans-122.129.5176.865.30000110.4T349T349-T352 PolarHBondContact N-OG1 3.43Å; T349-T352 CarbonylContact O-C 3.55Å; T349-T352 PolarHBondContact O-N 2.78Å; T349-T352 PolarHBondContact O-OG1 2.85Å; T349-T352 PolarHBondContact OG1-N 3.37Å; T349-T352 PolarHBondContact OG1-OG1 2.85Å
353A55.7Low59.1Low29 Ų2988.5 Ų88.524%0.2455%0.55CS..  trans-104.5113179.700000108L344 T349L344-A353 HydrophobicContact CD1-CB 3.73Å; L344-A353 HydrophobicContact CD2-CB 3.88Å; L344-A353 HydrophobicContact CG-CB 4.39Å; T349-A353 PolarHBondContact O-N 2.95Å
354T59.2Low58.6Low80 Ų8084.7 Ų84.749%0.49154%0.542SS..  trans-66.5144.2167.435.40000109.6R356 E361T354-R356 PolarHBondContact O-N 3.39Å; T354-R356 VanDerWaalsContact O-N 3.12Å; T354-E361 WeakPolarHBondContact CB-OE1 3.47Å; T354-E361 VanDerWaalsContact CG2-OE1 3.32Å; T354-E361 WeakPolarHBondContact CG2-OE1 3.17Å; T354-E361 PolarHBondContact OG1-OE1 3.29Å
355E61.9Low58.6Low156 Ų15687.2 Ų87.273%0.72956%0.56SS**SBendtrans-74.10.8-175.9-59.7-164.9132.500113.3C335 A336C335-E355 CarbonylContact C-O 3.3Å; A336-E355 HydrophobicContact CB-CB 4.02Å; A336-E355 WeakPolarHBondContact CB-O 3.4Å; A336-E355 PolarHBondContact N-O 3.49Å
356R65.5Low58.8Low133 Ų13387.1 Ų87.150%0.50256%0.559SS.*SBendtrans-111.1145176.5-65.5-172.1178.4-161.21.2110.1T354 C360 E361T354-R356 PolarHBondContact O-N 3.39Å; T354-R356 VanDerWaalsContact O-N 3.12Å; R356-C360 HydrophobicContact CB-CB 4.16Å; R356-C360 VanDerWaalsContact CD-O 3.29Å; R356-C360 WeakPolarHBondContact CD-O 3.49Å; R356-C360 PolarHBondContact NH1-O 2.95Å; R356-E361 HydrophobicContact CB-CG 3.76Å
357C69.9Low59.3Low6 Ų684.9 Ų84.94%0.04154%0.544CS..  trans-74.1159.3168.6620000110.1C335 F342 E359 C360 E361C335-C357 HydrophobicContact CB-CB 4.04Å; C335-C357 PolarHBondContact SG-N 3.15Å; C335-C357 VanDerWaalsContact SG-SG 3.62Å; F342-C357 HydrophobicContact CB-CB 3.97Å; F342-C357 HydrophobicContact CD1-CB 3.81Å; F342-C357 HydrophobicContact CD2-CB 3.95Å; F342-C357 HydrophobicContact CE1-CB 4.22Å; F342-C357 HydrophobicContact CE2-CB 4.33Å; F342-C357 HydrophobicContact CG-CB 3.66Å; F342-C357 HydrophobicContact CZ-CB 4.46Å; C357-E359 PolarHBondContact O-N 3.21Å; C357-C360 CarbonylContact O-C 3.5Å; C357-C360 WeakPolarHBondContact O-CA 3.42Å; C357-C360 PolarHBondContact O-N 3.4Å; C357-C360 VanDerWaalsContact SG-SG 3.65Å; C357-E361 PolarHBondContact O-N 2.92Å
358P67.4Low59.6Low96 Ų9685.5 Ų85.562%0.62353%0.53SS*.G310 helixtrans-56.6-28.9-177.4-28.836.5000114.8C360 E361 G362P358-C360 PolarHBondContact O-N 3.26Å; P358-E361 PolarHBondContact O-N 3.42Å; P358-G362 PolarHBondContact O-N 3.45Å
359E66.9Low60Low135 Ų13588.7 Ų88.763%0.63155%0.545SS*.G310 helixtrans-64.2-27.5173.4-60.8177.7168.800112.8R340 C357 S363R340-E359 IonicContact NH1-OE2 2.9Å; C357-E359 PolarHBondContact O-N 3.21Å; E359-S363 PolarHBondContact O-OG 3.41Å
360C67.5Low60.4Low27 Ų2789.7 Ų89.718%0.18255%0.551CS.*G310 helixtrans-104.34.2-179.9-61.70000113.7R356 C357 P358R356-C360 HydrophobicContact CB-CB 4.16Å; R356-C360 VanDerWaalsContact CD-O 3.29Å; R356-C360 WeakPolarHBondContact CD-O 3.49Å; R356-C360 PolarHBondContact NH1-O 2.95Å; C357-C360 CarbonylContact O-C 3.5Å; C357-C360 WeakPolarHBondContact O-CA 3.42Å; C357-C360 PolarHBondContact O-N 3.4Å; C357-C360 VanDerWaalsContact SG-SG 3.65Å; P358-C360 PolarHBondContact O-N 3.26Å
361E64.8Low61Low104 Ų10490.9 Ų90.949%0.48655%0.546SS..THydrogen-bonded Turntrans-98.2-18.3170.1-65.8-171.2126.100112.3T354 R356 C357 P358T354-E361 WeakPolarHBondContact CB-OE1 3.47Å; T354-E361 VanDerWaalsContact CG2-OE1 3.32Å; T354-E361 WeakPolarHBondContact CG2-OE1 3.17Å; T354-E361 PolarHBondContact OG1-OE1 3.29Å; R356-E361 HydrophobicContact CB-CG 3.76Å; C357-E361 PolarHBondContact O-N 2.92Å; P358-E361 PolarHBondContact O-N 3.42Å
362G60.3Low61.8Low69 Ų6990.4 Ų90.471%0.71153%0.525SS*.  trans-107.133.8174.900000114P358P358-G362 PolarHBondContact O-N 3.45Å
363S51.5Low62.8Low154 Ų15489.9 Ų89.9100%1.07752%0.519SS*.  trans-143.60179.1-65.80000111.5E359E359-S363 PolarHBondContact O-OG 3.41Å

Retrieved 363 of 363 residues in 220.4 ms (Link to these results)