A0A087YKC9_POEFO Loading...

BicC family RNA binding protein 1

AlphaFold DB , UniProt , Accession A0A087YKC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 969 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.4Very low32.3Very low239 Ų239137.7 Ų137.7100%1.17781%0.805SS**  096.50-62.9159.6-179.800105
2A32.8Very low32.1Very low104 Ų104137.8 Ų137.886%0.8680%0.798SS**  66.5118.256.300000110.9
3A35.9Very low31.8Very low76 Ų76138.2 Ų138.263%0.62879%0.788SS**  cis-148.4143.3-0.400000110.3
4Q34.7Very low31.4Very low181 Ų181137.9 Ų137.985%0.84678%0.777SS**  61.9139.7106.3-61.4176.7-35.200116
5C33Very low31.2Very low95 Ų95141.4 Ų141.464%0.64278%0.784SS**  cis-165.6149.6-11-108.70000110.3
6D31.5Very low30.9Very low134 Ų134142.5 Ų142.572%0.71778%0.782SS**  30.3150.6120.3-56.8-64.5000121.2
7T30Very low30.8Very low114 Ų114140.3 Ų140.370%0.69978%0.779SS**  cis-165.6158.915.3-50000115.6
8L31.9Very low30.5Very low153 Ų153141.4 Ų141.480%0.80178%0.783SS**  trans40.8132.8136.7-88.7165.7000125.9
9S30.1Very low30.7Very low124 Ų124143.8 Ų143.887%0.86779%0.788SS**  78.6161.4129-148.50000122.3
10G28.7Very low30.6Very low72 Ų72140.9 Ų140.974%0.74279%0.793SS**  trans139.399.1160.500000116.7
11Y29.8Very low30.7Very low223 Ų223139.5 Ų139.588%0.87579%0.792SS**  trans-85.4160.2173.8-118.5-125.7000112.6
12L29.9Very low30.3Very low139 Ų139135.4 Ų135.473%0.72878%0.775SS**  trans81.2133.7145.2-89.5163.6000124.3
13Q27.1Very low30.4Very low142 Ų142135.2 Ų135.266%0.66477%0.767SS**  trans90.1137.6135-142.864.3-1.400123.8
14Q27Very low30.3Very low134 Ų134139.4 Ų139.463%0.62677%0.774SS**  trans6.8133.1163.6-68.3168.1-99.700123
15Q27.8Very low30.1Very low191 Ų191141 Ų14189%0.89377%0.773SS**  -151.4132.6127.6-99160.110.900105.3
16Q26.7Very low30.1Very low159 Ų159141 Ų14174%0.74377%0.773SS**  cis72133.626.5-149.6159.51.500114.3
17S29.5Very low30.3Very low105 Ų105141 Ų14173%0.73478%0.778SS**  trans-64.3157.2-164.149.40000115.9
18D25.6Very low30.3Very low161 Ų161142.8 Ų142.886%0.86178%0.783SS**  -151.8167.1127.6-131.4-31.3000114.6
19Q33.5Very low30.6Very low186 Ų186140.5 Ų140.587%0.86978%0.78SS**  trans-102.3142.9174-68.7-175.5-5.100111.9
20G29.3Very low31.3Very low86 Ų86140.8 Ų140.889%0.88778%0.779SS**  trans-100.8131.1170.800000111.9
21S32.9Very low31.6Very low111 Ų111145.1 Ų145.178%0.77678%0.784SS**  trans-119.6159.8-172.8-170.30000113.6
22N28.7Very low32.4Very low153 Ų153140.7 Ų140.782%0.81878%0.783SS**  trans-174.7136.5162.2-94.3-44.1000107.3
23S34.9Very low32.3Very low100 Ų100136.9 Ų136.970%0.69978%0.778SS**  cis-164.7176.4-18.8-90.60000105.5
24E32.9Very low32.6Very low165 Ų165135 Ų13577%0.77178%0.78SS**  cis-148.4173.223.3-103.8-148.975.800112.6
25R32Very low32.8Very low215 Ų215137 Ų13781%0.81179%0.789SS**  trans5.3144.7142.9-112.2175.6175.4-166.1-4.5120.5
26S32.7Very low33.1Very low94 Ų94136.4 Ų136.466%0.65779%0.787SS**  cis-155.2160.130.9-550000116.1
27T34.8Very low33.5Very low133 Ų133135.7 Ų135.782%0.81679%0.788SS**  trans-2.3134.6152.654.50000118.6
28D29.8Very low33.9Very low152 Ų152138.8 Ų138.881%0.81380%0.795SS**  -160.2-179.573.4-161.99.1000113.4
29S38.7Very low34.6Very low105 Ų105136.7 Ų136.773%0.73479%0.793SS**  trans-159.4145.4176.2-67.80000112.9
30P46.1Very low34.8Very low130 Ų130131.1 Ų131.184%0.84479%0.785SS**  -148.1168.597.939.8-24000117.3
31L34.4Very low35.7Very low163 Ų163133.1 Ų133.185%0.85378%0.783SS**  trans-79.7-176.4164.8-72.1170.2000110.4
32P46.2Very low36.1Very low131 Ų131136.6 Ų136.685%0.85179%0.787SS**  cis-144.3-174.815.644.6-24.3000118.3
33G27.8Very low37Very low59 Ų59135 Ų13561%0.60879%0.785SS**  trans149.696.4166.600000110.5
34S32.8Very low37.6Very low103 Ų103137.9 Ų137.972%0.7279%0.791SS**  68.612580.569.30000113.3
35E32.8Very low38.6Very low174 Ų174135.9 Ų135.981%0.81379%0.793SS**  cis-165.6171.5-2.9-123.1149.5175.400109.3
36E33Very low39.9Very low180 Ų180129.6 Ų129.684%0.84178%0.775SS**  trans41103161.3-59.2-179.5135.400118.8
37D34.8Very low41.4Very low143 Ų143130.4 Ų130.477%0.76578%0.778SS**  70.5113.978-169.128.1000115.7
38L39.4Very low43.1Very low170 Ų170127.8 Ų127.889%0.8976%0.757SS**  trans-173.6150.2136.3-102.2172.6000109.7
39S39.8Very low45.6Very low118 Ų118128 Ų12883%0.82575%0.746SS**  trans-115.7144.9-162.746.40000115.5
40G37.3Very low48Very low68 Ų68124.9 Ų124.970%0.70172%0.723SS**  trans-152.6144.3174.200000110.2
41P48Very low50.1Low129 Ų129123.2 Ų123.284%0.83870%0.704SS**PPolyproline II helixtrans-85138.3-151.330.6-36.4000115.7
42H40.7Very low52.8Low183 Ų183118.6 Ų118.685%0.84768%0.678SS**PPolyproline II helixtrans-63.9134.6154.6-86-82.3000110.1L44H42-L44 PolarHBondContact O-N 2.91Å
43P49Very low54.8Low121 Ų121119.9 Ų119.979%0.78667%0.665SS**PPolyproline II helixtrans-63.2133.3168.2-20.632.8000111.1
44L47.6Very low57.7Low159 Ų159118 Ų11883%0.83264%0.641SS**PPolyproline II helixtrans-64.1146.9165.4-67.2169.6000109.5H42 D46H42-L44 PolarHBondContact O-N 2.91Å; L44-D46 PolarHBondContact O-N 3.22Å; L44-D46 VanDerWaalsContact O-N 3.15Å
45P54.1Low60.2Low123 Ų123120 Ų12080%0.79963%0.632SS**PPolyproline II helixtrans-60.1118.5172.9-21.933.4000110.8P47P45-P47 WeakPolarHBondContact O-CD 3.18Å
46D58.8Low62.8Low83 Ų83111.7 Ų111.744%0.44459%0.594SS.*PPolyproline II helixtrans-60.9117.8-179.8-178.2-5.4000110.2L44 E48 W49L44-D46 PolarHBondContact O-N 3.22Å; L44-D46 VanDerWaalsContact O-N 3.15Å; D46-E48 PolarHBondContact O-N 3.26Å; D46-E48 PolarHBondContact OD1-N 3.04Å; D46-W49 PolarHBondContact O-N 3.11Å
47P63.4Low65.1Low111 Ų111104.6 Ų104.672%0.72156%0.561SS**THydrogen-bonded Turntrans-67.9-0.3-173.427.8-35.9000114.7P45 R115P45-P47 WeakPolarHBondContact O-CD 3.18Å; P47-R115 PolarHBondContact O-NH2 2.88Å
48E70.3Confident67.5Low78 Ų7899.2 Ų99.236%0.36453%0.53SS..THydrogen-bonded Turntrans-87.7-17.2167-68.8-163.9150.500114.8D46 T50 K114 R115D46-E48 PolarHBondContact O-N 3.26Å; D46-E48 PolarHBondContact OD1-N 3.04Å; E48-T50 PolarHBondContact O-N 3.19Å; E48-T50 PolarHBondContact O-OG1 3.06Å; E48-K114 HydrophobicContact CB-CG 4.41Å; E48-K114 IonicContact OE2-NZ 2.65Å; E48-K114 PolarHBondContact OE2-NZ 2.96Å; E48-R115 PolarHBondContact O-N 2.97Å
49W82.8Confident69.5Low158 Ų15898.3 Ų98.360%0.59852%0.519SS*.EExtended strand (participates in β ladder)trans-71.2129-175.6-158.4-89.6000111.7D46 C112 G113D46-W49 PolarHBondContact O-N 3.11Å; W49-C112 HydrophobicContact CZ2-CB 4.5Å; W49-G113 WeakPolarHBondContact CA-O 3.37Å
50T88.6Confident71.5Confident38 Ų3895.3 Ų95.323%0.23349%0.491CS..EExtended strand (participates in β ladder)trans-136.1135.7-173.2-54.70000109.7E48 C112 G113E48-T50 PolarHBondContact O-N 3.19Å; E48-T50 PolarHBondContact O-OG1 3.06Å; T50-C112 WeakPolarHBondContact O-CA 3.21Å; T50-G113 PolarHBondContact N-O 2.63Å; T50-G113 PolarHBondContact O-N 3.25Å; T50-G113 VanDerWaalsContact O-N 3.14Å
51E91.2Very high73.8Confident96 Ų9692.1 Ų92.145%0.44946%0.458SS..EExtended strand (participates in β ladder)trans-100.1129.5159.7177.8-176.6148.100108.6K110 V111E51-K110 WeakPolarHBondContact OE1-CE 3.42Å; E51-K110 WeakPolarHBondContact OE1-CG 3.22Å; E51-K110 IonicContact OE1-NZ 3.1Å; E51-K110 PolarHBondContact OE1-NZ 3.01Å; E51-K110 IonicContact OE2-NZ 3.77Å; E51-K110 PolarHBondContact OE2-NZ 3.33Å; E51-V111 WeakPolarHBondContact CA-O 3.25Å
52E90.2Very high75.6Confident65 Ų6587.1 Ų87.130%0.30442%0.424SS..EExtended strand (participates in β ladder)trans-117.2142.2162.8-171.3166.8-176.300111.8F54 K110 V111 V118 K122E52-F54 HydrophobicContact CG-CD1 4.48Å; E52-K110 CarbonylContact O-C 3.58Å; E52-K110 WeakPolarHBondContact O-CA 3.49Å; E52-V111 PolarHBondContact N-O 3.19Å; E52-V111 PolarHBondContact O-N 2.95Å; E52-V118 HydrophobicContact CB-CG1 3.83Å; E52-K122 HydrophobicContact CG-CD 4.29Å; E52-K122 WeakPolarHBondContact OE1-CE 3.46Å; E52-K122 IonicContact OE1-NZ 2.67Å; E52-K122 PolarHBondContact OE1-NZ 2.83Å; E52-K122 WeakPolarHBondContact OE2-CD 3.41Å; E52-K122 IonicContact OE2-NZ 2.9Å; E52-K122 PolarHBondContact OE2-NZ 2.83Å
53R89.3Confident77.6Confident158 Ų15882.8 Ų82.860%0.59641%0.406SS*.EExtended strand (participates in β ladder)trans-130.7115.4-179.5-171.5-176.5-173.4-174.56112.1H108 I109 K110R53-H108 HydrophobicContact CG-CB 4.49Å; R53-I109 WeakPolarHBondContact CA-O 3.37Å; R53-I109 WeakPolarHBondContact CG-O 3.25Å; R53-K110 HydrophobicContact CB-CG 4.3Å; R53-K110 HydrophobicContact CG-CG 3.94Å
54F87.6Confident79.2Confident20 Ų2078.2 Ų78.29%0.08837%0.374CS..EExtended strand (participates in β ladder)trans-126.4173.7-176.954.4-92000112.4E52 V56 H108 I109 V111 K122 I125 M126E52-F54 HydrophobicContact CG-CD1 4.48Å; F54-V56 HydrophobicContact CD2-CG1 3.86Å; F54-V56 HydrophobicContact CE2-CG1 3.73Å; F54-H108 CarbonylContact O-C 3.57Å; F54-H108 WeakPolarHBondContact O-CA 3.49Å; F54-I109 HydrophobicContact CE2-CB 4.07Å; F54-I109 HydrophobicContact CE2-CG2 4.44Å; F54-I109 HydrophobicContact CZ-CB 4.21Å; F54-I109 HydrophobicContact CZ-CG2 4.13Å; F54-I109 PolarHBondContact N-O 2.99Å; F54-I109 VanDerWaalsContact N-O 3.07Å; F54-I109 PolarHBondContact O-N 3.41Å; F54-V111 HydrophobicContact CE1-CG2 3.61Å; F54-V111 HydrophobicContact CZ-CG2 3.93Å; F54-K122 HydrophobicContact CD1-CB 4.31Å; F54-K122 HydrophobicContact CD1-CD 3.91Å; F54-K122 HydrophobicContact CD1-CG 3.82Å; F54-K122 HydrophobicContact CE1-CB 3.7Å; F54-K122 HydrophobicContact CE1-CD 4.16Å; F54-K122 HydrophobicContact CE1-CG 3.64Å; F54-K122 HydrophobicContact CG-CG 4.47Å; F54-K122 HydrophobicContact CZ-CB 4.22Å; F54-K122 HydrophobicContact CZ-CG 4.16Å; F54-I125 HydrophobicContact CE2-CB 4.29Å; F54-I125 HydrophobicContact CE2-CG2 3.7Å; F54-I125 HydrophobicContact CZ-CB 4.03Å; F54-I125 HydrophobicContact CZ-CD1 4Å; F54-I125 HydrophobicContact CZ-CG2 3.82Å; F54-M126 HydrophobicContact CD2-CG 3.99Å; F54-M126 HydrophobicContact CD2-SD 3.44Å; F54-M126 WeakPolarHBondContact CD2-SD 3.42Å; F54-M126 HydrophobicContact CE2-CG 3.93Å; F54-M126 HydrophobicContact CE2-SD 3.8Å; F54-M126 HydrophobicContact CG-SD 4.3Å
55R86.8Confident81Confident145 Ų14571.8 Ų71.855%0.54734%0.341SS..EExtended strand (participates in β ladder)trans-110.3140.4178.6-67.2-177.3-175.7166.55.6110.7D106 P107 H108R55-D106 HydrophobicContact CB-CB 4.22Å; R55-P107 WeakPolarHBondContact CA-O 3.42Å; R55-H108 PolarHBondContact NE-CE1 3.07Å; R55-H108 PolarHBondContact NE-NE2 3.36Å; R55-H108 PolarHBondContact NH2-NE2 3.33Å
56V85.4Confident82.3Confident0 Ų069.1 Ų69.10%032%0.319CS..  trans-120.6164.1177-57.80000111.7F54 R58 L61 D106 P107 I109 I125 M126 L129F54-V56 HydrophobicContact CD2-CG1 3.86Å; F54-V56 HydrophobicContact CE2-CG1 3.73Å; V56-R58 PolarHBondContact O-N 2.99Å; V56-L61 HydrophobicContact CG2-CD2 4.19Å; V56-D106 WeakPolarHBondContact O-CB 3.33Å; V56-P107 HydrophobicContact CG2-CG 3.88Å; V56-P107 PolarHBondContact N-O 3.21Å; V56-P107 VanDerWaalsContact N-O 3.12Å; V56-P107 WeakPolarHBondContact O-CD 3.48Å; V56-I109 HydrophobicContact CB-CD1 4.48Å; V56-I109 HydrophobicContact CG1-CD1 3.79Å; V56-I109 HydrophobicContact CG1-CG1 4.37Å; V56-I109 HydrophobicContact CG2-CD1 3.87Å; V56-I109 HydrophobicContact CG2-CG1 4.26Å; V56-I125 HydrophobicContact CG1-CG2 4.37Å; V56-M126 HydrophobicContact CG1-SD 4.05Å; V56-L129 HydrophobicContact CB-CB 3.77Å; V56-L129 HydrophobicContact CG1-CB 3.93Å; V56-L129 HydrophobicContact CG2-CB 4.29Å; V56-L129 HydrophobicContact CG2-CD1 4.35Å
57D83.3Confident83.1Confident30 Ų3065.9 Ų65.916%0.1630%0.304CS..  trans-65.8118.9-179.8-172.6-53.1000110.9K59 K60 L61 L129 T131D57-K59 VanDerWaalsContact C-N 3.31Å; D57-K59 PolarHBondContact O-N 3.31Å; D57-K59 WeakPolarHBondContact OD1-CA 3.49Å; D57-K59 WeakPolarHBondContact OD1-CB 3.28Å; D57-K59 PolarHBondContact OD1-N 3.48Å; D57-K60 HydrophobicContact CB-CB 3.92Å; D57-K60 PolarHBondContact O-N 3.34Å; D57-K60 PolarHBondContact OD1-N 2.89Å; D57-K60 VanDerWaalsContact OD1-N 3.08Å; D57-L61 PolarHBondContact O-N 3.43Å; D57-L129 WeakPolarHBondContact CB-O 3.16Å; D57-L129 PolarHBondContact N-O 3.02Å; D57-T131 WeakPolarHBondContact CB-OG1 3.03Å; D57-T131 VanDerWaalsContact OD2-CB 3.25Å; D57-T131 WeakPolarHBondContact OD2-CB 3.38Å; D57-T131 PolarHBondContact OD2-OG1 3.18Å
58R83.9Confident83.5Confident30 Ų3062.7 Ų62.711%0.11329%0.287CS..Hα-helixtrans-56.1-43.6179.6-173-179.2169.789.219112.6V56 E62 L97 K98 A101 S103 P107V56-R58 PolarHBondContact O-N 2.99Å; R58-E62 IonicContact CZ-OE1 2.69Å; R58-E62 IonicContact NE-OE1 2.67Å; R58-E62 PolarHBondContact NE-OE1 2.9Å; R58-E62 IonicContact NH2-OE1 2.66Å; R58-E62 PolarHBondContact NH2-OE1 3.45Å; R58-E62 WeakPolarHBondContact O-CB 3.19Å; R58-E62 WeakPolarHBondContact O-CG 3.4Å; R58-E62 PolarHBondContact O-N 3.09Å; R58-L97 HydrophobicContact CG-CD2 4.47Å; R58-K98 PolarHBondContact NH2-O 2.87Å; R58-A101 PolarHBondContact NE-O 3.43Å; R58-A101 PolarHBondContact NH2-O 3.03Å; R58-S103 WeakPolarHBondContact CD-O 2.95Å; R58-P107 HydrophobicContact CB-CG 4.4Å
59K81.5Confident83.4Confident151 Ų15163.2 Ų63.266%0.65730%0.299SS*.Hα-helixtrans-70.1-38-176.7-169.5-176.7180-172.70110.6D57 E62 I63D57-K59 VanDerWaalsContact C-N 3.31Å; D57-K59 PolarHBondContact O-N 3.31Å; D57-K59 WeakPolarHBondContact OD1-CA 3.49Å; D57-K59 WeakPolarHBondContact OD1-CB 3.28Å; D57-K59 PolarHBondContact OD1-N 3.48Å; K59-E62 PolarHBondContact O-N 3.49Å; K59-I63 HydrophobicContact CG-CD1 4.13Å; K59-I63 WeakPolarHBondContact O-CD1 3.3Å; K59-I63 VanDerWaalsContact O-CG1 3.26Å; K59-I63 WeakPolarHBondContact O-CG1 3.08Å; K59-I63 PolarHBondContact O-N 3.4Å
60K81.3Confident83Confident56 Ų5661.2 Ų61.224%0.24330%0.297CS..Hα-helixtrans-69.4-38.1178.9-150.7168.1-176.8-159.10111.9D57 I63 M64 V128D57-K60 HydrophobicContact CB-CB 3.92Å; D57-K60 PolarHBondContact O-N 3.34Å; D57-K60 PolarHBondContact OD1-N 2.89Å; D57-K60 VanDerWaalsContact OD1-N 3.08Å; K60-I63 PolarHBondContact O-N 3Å; K60-M64 PolarHBondContact O-N 3.45Å; K60-M64 VanDerWaalsContact O-N 3.09Å; K60-V128 WeakPolarHBondContact CD-O 3.46Å; K60-V128 WeakPolarHBondContact CE-O 3.4Å; K60-V128 PolarHBondContact NZ-O 2.83Å
61L85.7Confident81.7Confident0 Ų062.7 Ų62.70%032%0.319CS..Hα-helixtrans-68-39.6171.8-175.757.5000112.7V56 D57 I63 M64 L65 F80 W93 P94 L97 P107 L129V56-L61 HydrophobicContact CG2-CD2 4.19Å; D57-L61 PolarHBondContact O-N 3.43Å; L61-I63 VanDerWaalsContact C-N 3.34Å; L61-I63 PolarHBondContact O-N 3.36Å; L61-M64 HydrophobicContact CD1-CE 3.77Å; L61-M64 PolarHBondContact O-N 2.85Å; L61-L65 HydrophobicContact CG-CD1 4.41Å; L61-L65 PolarHBondContact O-N 3.29Å; L61-F80 HydrophobicContact CD1-CE2 4.12Å; L61-F80 HydrophobicContact CD1-CZ 4.39Å; L61-W93 HydrophobicContact CD1-CE3 4.13Å; L61-W93 HydrophobicContact CD1-CZ3 4.04Å; L61-P94 HydrophobicContact CD2-CG 3.89Å; L61-L97 HydrophobicContact CD2-CD2 4.19Å; L61-L97 HydrophobicContact CG-CD2 4.33Å; L61-P107 HydrophobicContact CD2-CB 4.06Å; L61-P107 HydrophobicContact CD2-CG 3.81Å; L61-L129 HydrophobicContact CD1-CD1 4.17Å
62E85.7Confident80.3Confident24 Ų2465.1 Ų65.111%0.11232%0.324CS..Hα-helixtrans-62-38.6173-77.8-175.9-15600112.4R58 K59 L65 L66 L97 G100R58-E62 IonicContact CZ-OE1 2.69Å; R58-E62 IonicContact NE-OE1 2.67Å; R58-E62 PolarHBondContact NE-OE1 2.9Å; R58-E62 IonicContact NH2-OE1 2.66Å; R58-E62 PolarHBondContact NH2-OE1 3.45Å; R58-E62 WeakPolarHBondContact O-CB 3.19Å; R58-E62 WeakPolarHBondContact O-CG 3.4Å; R58-E62 PolarHBondContact O-N 3.09Å; K59-E62 PolarHBondContact O-N 3.49Å; E62-L65 PolarHBondContact O-N 3.41Å; E62-L66 WeakPolarHBondContact O-CB 3.36Å; E62-L66 WeakPolarHBondContact O-CG 3.33Å; E62-L66 PolarHBondContact O-N 2.91Å; E62-L97 HydrophobicContact CG-CD2 3.94Å; E62-G100 PolarHBondContact OE2-N 3.04Å
63I83.8Confident78.4Confident92 Ų9268 Ų6847%0.47235%0.346SS..Hα-helixtrans-65-40174.9-70.9163.4000111.5K59 K60 L61 L65 L66 A67K59-I63 HydrophobicContact CG-CD1 4.13Å; K59-I63 WeakPolarHBondContact O-CD1 3.3Å; K59-I63 VanDerWaalsContact O-CG1 3.26Å; K59-I63 WeakPolarHBondContact O-CG1 3.08Å; K59-I63 PolarHBondContact O-N 3.4Å; K60-I63 PolarHBondContact O-N 3Å; L61-I63 VanDerWaalsContact C-N 3.34Å; L61-I63 PolarHBondContact O-N 3.36Å; I63-L65 VanDerWaalsContact C-N 3.35Å; I63-L66 PolarHBondContact O-N 3.24Å; I63-A67 PolarHBondContact O-N 2.9Å
64M82.9Confident77Confident25 Ų2566.5 Ų66.512%0.12335%0.35CS..Hα-helixtrans-68.7-33.9178.7-162.5176.971.400112.4K60 L61 A68 F79 F80 L129K60-M64 PolarHBondContact O-N 3.45Å; K60-M64 VanDerWaalsContact O-N 3.09Å; L61-M64 HydrophobicContact CD1-CE 3.77Å; L61-M64 PolarHBondContact O-N 2.85Å; M64-A68 PolarHBondContact O-N 2.85Å; M64-F79 HydrophobicContact CE-CB 4.46Å; M64-F79 HydrophobicContact CE-CD1 3.7Å; M64-F79 HydrophobicContact CE-CE1 4.42Å; M64-F79 HydrophobicContact CE-CG 4.36Å; M64-F79 HydrophobicContact SD-CB 4.02Å; M64-F79 HydrophobicContact SD-CD1 3.61Å; M64-F79 HydrophobicContact SD-CE1 4.28Å; M64-F79 HydrophobicContact SD-CG 3.82Å; M64-F80 HydrophobicContact CE-CD2 3.97Å; M64-F80 HydrophobicContact CE-CE2 3.37Å; M64-F80 HydrophobicContact CE-CZ 3.97Å; M64-L129 HydrophobicContact CE-CD1 4.19Å; M64-L129 HydrophobicContact CE-CD2 4.13Å; M64-L129 HydrophobicContact SD-CD2 3.94Å
65L84Confident76.4Confident25 Ų2565.8 Ų65.813%0.13135%0.348CS..Hα-helixtrans-69.9-39.8170.9-77167000112.5L61 E62 I63 A68 S69 W93 S95 L97 I99L61-L65 HydrophobicContact CG-CD1 4.41Å; L61-L65 PolarHBondContact O-N 3.29Å; E62-L65 PolarHBondContact O-N 3.41Å; I63-L65 VanDerWaalsContact C-N 3.35Å; L65-A68 PolarHBondContact O-N 3.05Å; L65-S69 PolarHBondContact O-N 3.45Å; L65-W93 HydrophobicContact CD1-CZ3 4.48Å; L65-W93 HydrophobicContact CD2-CH2 3.67Å; L65-W93 HydrophobicContact CD2-CZ3 3.7Å; L65-W93 HydrophobicContact CG-CZ3 4.18Å; L65-S95 WeakPolarHBondContact CD2-O 3.41Å; L65-L97 HydrophobicContact CD1-CB 3.84Å; L65-I99 HydrophobicContact CB-CD1 4.2Å; L65-I99 HydrophobicContact CB-CG1 4.47Å
66L81.5Confident76.1Confident67 Ų6758.9 Ų58.935%0.35132%0.322SS..Hα-helixtrans-61.6-46.1175-81.2162.9000112E62 I63 A68 S69 E70 I99E62-L66 WeakPolarHBondContact O-CB 3.36Å; E62-L66 WeakPolarHBondContact O-CG 3.33Å; E62-L66 PolarHBondContact O-N 2.91Å; I63-L66 PolarHBondContact O-N 3.24Å; L66-A68 PolarHBondContact O-N 3.47Å; L66-S69 PolarHBondContact O-N 2.84Å; L66-S69 PolarHBondContact O-OG 2.79Å; L66-E70 PolarHBondContact O-N 3.35Å; L66-E70 VanDerWaalsContact O-N 3.11Å; L66-I99 HydrophobicContact CD1-CG2 3.95Å; L66-I99 HydrophobicContact CD2-CD1 4.26Å; L66-I99 HydrophobicContact CD2-CG2 4.09Å; L66-I99 HydrophobicContact CG-CD1 4.19Å; L66-I99 HydrophobicContact CG-CG2 3.97Å
67A77.1Confident76.1Confident15 Ų1563.4 Ų63.412%0.12434%0.343CS..Hα-helixtrans-58.6-35.7178.500000112.9I63 E70 R72I63-A67 PolarHBondContact O-N 2.9Å; A67-E70 PolarHBondContact O-N 2.93Å; A67-R72 PolarHBondContact O-N 2.94Å
68A70.9Confident76.2Confident43 Ų4365.9 Ų65.936%0.35536%0.356SS..Hα-helixtrans-65.6-42.1172.900000112.2M64 L65 L66 E70 G71M64-A68 PolarHBondContact O-N 2.85Å; L65-A68 PolarHBondContact O-N 3.05Å; L66-A68 PolarHBondContact O-N 3.47Å; A68-E70 PolarHBondContact O-N 3.07Å; A68-G71 PolarHBondContact O-N 3.45Å; A68-G71 VanDerWaalsContact O-N 3.14Å
69S68.3Low76.5Confident90 Ų9066.5 Ų66.563%0.62936%0.36SS*.Hα-helixtrans-68.5-16.9177.567.10000114.4L65 L66 G71L65-S69 PolarHBondContact O-N 3.45Å; L66-S69 PolarHBondContact O-N 2.84Å; L66-S69 PolarHBondContact O-OG 2.79Å; S69-G71 VanDerWaalsContact C-N 3.31Å
70E74.8Confident76.9Confident116 Ų11659.3 Ų59.354%0.54233%0.329SS..THydrogen-bonded Turntrans-86.74.7173.8-68.6171.5-163.900113.3L66 A67 A68 R72L66-E70 PolarHBondContact O-N 3.35Å; L66-E70 VanDerWaalsContact O-N 3.11Å; A67-E70 PolarHBondContact O-N 2.93Å; A68-E70 PolarHBondContact O-N 3.07Å; E70-R72 HydrophobicContact CB-CG 4.45Å; E70-R72 PolarHBondContact O-N 2.69Å; E70-R72 IonicContact OE1-NH2 2.66Å; E70-R72 IonicContact OE2-CZ 2.65Å; E70-R72 IonicContact OE2-NE 3.78Å; E70-R72 PolarHBondContact OE2-NE 3.01Å; E70-R72 IonicContact OE2-NH2 2.78Å; E70-R72 PolarHBondContact OE2-NH2 3Å
71G60.5Low77.3Confident69 Ų6960.6 Ų60.671%0.71134%0.336SS*.THydrogen-bonded Turntrans70.316.3178.500000114.5A68 S69A68-G71 PolarHBondContact O-N 3.45Å; A68-G71 VanDerWaalsContact O-N 3.14Å; S69-G71 VanDerWaalsContact C-N 3.31Å
72R61.6Low77.6Confident147 Ų14766 Ų6656%0.55536%0.359SS*.  trans-80.9126.4176-65.7-168.6-84.7136.7-11.8109.8A67 E70A67-R72 PolarHBondContact O-N 2.94Å; E70-R72 HydrophobicContact CB-CG 4.45Å; E70-R72 PolarHBondContact O-N 2.69Å; E70-R72 IonicContact OE1-NH2 2.66Å; E70-R72 IonicContact OE2-CZ 2.65Å; E70-R72 IonicContact OE2-NE 3.78Å; E70-R72 PolarHBondContact OE2-NE 3.01Å; E70-R72 IonicContact OE2-NH2 2.78Å; E70-R72 PolarHBondContact OE2-NH2 3Å
73V50.5Low77.8Confident126 Ų12665 Ų6576%0.76436%0.355SS*.SBendtrans-53.1140.7173.2-171.70000109.6
74N59.4Low78.2Confident126 Ų12662.2 Ų62.267%0.67434%0.34SS*.SBendtrans76.656.2-164.9-43.6-88.1000112.8D78N74-D78 VanDerWaalsContact CA-OD2 3.24Å; N74-D78 WeakPolarHBondContact CA-OD2 3.38Å; N74-D78 PolarHBondContact N-OD2 3.07Å
75G74.8Confident78.7Confident4 Ų465.1 Ų65.14%0.04136%0.356CS..  trans-68.5171.4166.500000113.1E77 D78 F79G75-E77 VanDerWaalsContact C-N 3.3Å; G75-E77 PolarHBondContact O-N 3.28Å; G75-D78 PolarHBondContact N-OD2 3.4Å; G75-D78 PolarHBondContact O-N 3.32Å; G75-F79 PolarHBondContact O-N 3.11Å
76G80.9Confident79.1Confident1 Ų168.9 Ų68.91%0.0137%0.373CS..Hα-helixtrans-62.6-33.6177.600000114.1F80G76-F80 WeakPolarHBondContact O-CD2 3.21Å; G76-F80 PolarHBondContact O-N 2.72Å
77E85.4Confident79.6Confident95 Ų9565.8 Ų65.844%0.44436%0.357SS..Hα-helixtrans-66.2-52.5174-152.772.9-111.500110.2G75 F79 F80 Q81 W93G75-E77 VanDerWaalsContact C-N 3.3Å; G75-E77 PolarHBondContact O-N 3.28Å; E77-F79 PolarHBondContact O-N 2.68Å; E77-F80 PolarHBondContact O-N 3.37Å; E77-F80 VanDerWaalsContact O-N 3.09Å; E77-Q81 WeakPolarHBondContact O-CB 3.41Å; E77-Q81 PolarHBondContact O-N 3.18Å; E77-W93 HydrophobicContact CB-CZ2 4.4Å; E77-W93 WeakPolarHBondContact OE1-CZ2 3.22Å; E77-W93 PolarHBondContact OE1-NE1 3.24Å; E77-W93 VanDerWaalsContact OE1-NE1 3.14Å; E77-W93 WeakPolarHBondContact OE2-CZ2 3.24Å
78D86.8Confident80.2Confident81 Ų8172 Ų7243%0.43338%0.383SS..Hα-helixtrans-50.3-43.4175.3-41.3-5.3000111.9N74 G75 K82N74-D78 VanDerWaalsContact CA-OD2 3.24Å; N74-D78 WeakPolarHBondContact CA-OD2 3.38Å; N74-D78 PolarHBondContact N-OD2 3.07Å; G75-D78 PolarHBondContact N-OD2 3.4Å; G75-D78 PolarHBondContact O-N 3.32Å; D78-K82 WeakPolarHBondContact O-CB 3.31Å; D78-K82 PolarHBondContact O-N 2.87Å
79F88.8Confident81.3Confident44 Ų4470.4 Ų70.419%0.19337%0.369CS..Hα-helixtrans-62.8-47.3179.5171.7-100.9000112.5M64 G75 E77 I83 V128 L129M64-F79 HydrophobicContact CE-CB 4.46Å; M64-F79 HydrophobicContact CE-CD1 3.7Å; M64-F79 HydrophobicContact CE-CE1 4.42Å; M64-F79 HydrophobicContact CE-CG 4.36Å; M64-F79 HydrophobicContact SD-CB 4.02Å; M64-F79 HydrophobicContact SD-CD1 3.61Å; M64-F79 HydrophobicContact SD-CE1 4.28Å; M64-F79 HydrophobicContact SD-CG 3.82Å; G75-F79 PolarHBondContact O-N 3.11Å; E77-F79 PolarHBondContact O-N 2.68Å; F79-I83 HydrophobicContact CD2-CD1 4.39Å; F79-I83 HydrophobicContact CE1-CD1 3.83Å; F79-I83 HydrophobicContact CE2-CD1 3.66Å; F79-I83 HydrophobicContact CZ-CD1 3.34Å; F79-I83 WeakPolarHBondContact O-CG1 3.36Å; F79-I83 PolarHBondContact O-N 3.49Å; F79-V128 HydrophobicContact CD2-CG1 4.48Å; F79-V128 HydrophobicContact CE1-CB 4.37Å; F79-V128 HydrophobicContact CE1-CG1 4.32Å; F79-V128 HydrophobicContact CE2-CB 3.85Å; F79-V128 HydrophobicContact CE2-CG1 3.87Å; F79-V128 HydrophobicContact CE2-CG2 3.62Å; F79-V128 HydrophobicContact CZ-CB 3.53Å; F79-V128 HydrophobicContact CZ-CG1 3.76Å; F79-V128 HydrophobicContact CZ-CG2 3.74Å; F79-L129 HydrophobicContact CE1-CD1 4.38Å
80F90Very high82.4Confident0 Ų072.6 Ų72.60%037%0.369CS..Hα-helixtrans-73.6-41.2179.3-74.5-63.9000112L61 M64 G76 E77 K82 I83 M84 I91 W93 I109 I125 L129L61-F80 HydrophobicContact CD1-CE2 4.12Å; L61-F80 HydrophobicContact CD1-CZ 4.39Å; M64-F80 HydrophobicContact CE-CD2 3.97Å; M64-F80 HydrophobicContact CE-CE2 3.37Å; M64-F80 HydrophobicContact CE-CZ 3.97Å; G76-F80 WeakPolarHBondContact O-CD2 3.21Å; G76-F80 PolarHBondContact O-N 2.72Å; E77-F80 PolarHBondContact O-N 3.37Å; E77-F80 VanDerWaalsContact O-N 3.09Å; F80-K82 PolarHBondContact O-N 2.93Å; F80-I83 PolarHBondContact O-N 2.96Å; F80-I83 VanDerWaalsContact O-N 3.16Å; F80-M84 WeakPolarHBondContact O-CG 3.23Å; F80-M84 PolarHBondContact O-N 3.4Å; F80-I91 HydrophobicContact CD1-CG2 3.74Å; F80-I91 HydrophobicContact CE1-CG2 4.19Å; F80-I91 HydrophobicContact CG-CG2 4.48Å; F80-W93 HydrophobicContact CD1-CG 4.45Å; F80-W93 HydrophobicContact CD2-CB 4.23Å; F80-W93 AromaticContact CD2-CD1 3.74Å; F80-W93 AromaticContact CD2-CD2 3.23Å; F80-W93 HydrophobicContact CD2-CD2 3.23Å; F80-W93 AromaticContact CD2-CE2 3.33Å; F80-W93 AromaticContact CD2-CE3 3.63Å; F80-W93 HydrophobicContact CD2-CE3 3.63Å; F80-W93 AromaticContact CD2-CG 3.51Å; F80-W93 HydrophobicContact CD2-CG 3.51Å; F80-W93 HydrophobicContact CD2-CH2 4.11Å; F80-W93 AromaticContact CD2-CZ2 3.8Å; F80-W93 HydrophobicContact CD2-CZ2 3.8Å; F80-W93 HydrophobicContact CD2-CZ3 4.03Å; F80-W93 AromaticContact CD2-NE1 3.67Å; F80-W93 HydrophobicContact CE1-CB 4.31Å; F80-W93 HydrophobicContact CE2-CB 3.98Å; F80-W93 AromaticContact CE2-CD2 3.3Å; F80-W93 HydrophobicContact CE2-CD2 3.3Å; F80-W93 AromaticContact CE2-CE2 3.89Å; F80-W93 AromaticContact CE2-CE3 3.24Å; F80-W93 HydrophobicContact CE2-CE3 3.24Å; F80-W93 AromaticContact CE2-CG 3.65Å; F80-W93 HydrophobicContact CE2-CG 3.65Å; F80-W93 HydrophobicContact CE2-CH2 4.27Å; F80-W93 HydrophobicContact CE2-CZ2 4.35Å; F80-W93 AromaticContact CE2-CZ3 3.74Å; F80-W93 HydrophobicContact CE2-CZ3 3.74Å; F80-W93 AromaticContact CG-CD1 3.85Å; F80-W93 HydrophobicContact CG-CD2 4.11Å; F80-W93 AromaticContact CG-CG 3.94Å; F80-W93 HydrophobicContact CG-CG 3.94Å; F80-W93 HydrophobicContact CZ-CB 4Å; F80-W93 HydrophobicContact CZ-CD2 4.21Å; F80-W93 HydrophobicContact CZ-CE3 4.19Å; F80-W93 HydrophobicContact CZ-CG 4.16Å; F80-I109 HydrophobicContact CE1-CD1 3.73Å; F80-I109 HydrophobicContact CZ-CD1 3.54Å; F80-I125 HydrophobicContact CD1-CD1 4.48Å; F80-I125 HydrophobicContact CD1-CG1 4.31Å; F80-I125 HydrophobicContact CE1-CD1 4.32Å; F80-I125 HydrophobicContact CE1-CG1 4.06Å; F80-I125 HydrophobicContact CE1-CG2 3.9Å; F80-L129 HydrophobicContact CE1-CD1 4.06Å; F80-L129 HydrophobicContact CE2-CD1 4.31Å; F80-L129 HydrophobicContact CZ-CD1 3.43Å; F80-L129 VanDerWaalsContact CZ-CD1 3.43Å
81Q90.1Very high83.2Confident82 Ų8267.4 Ų67.438%0.38335%0.345SS..Hα-helixtrans-57.7-49.2176.1-17161.755.200110.8E77 I83 M84 D85E77-Q81 WeakPolarHBondContact O-CB 3.41Å; E77-Q81 PolarHBondContact O-N 3.18Å; Q81-I83 VanDerWaalsContact C-N 3.26Å; Q81-I83 PolarHBondContact O-N 2.99Å; Q81-M84 HydrophobicContact CB-CE 4.43Å; Q81-M84 WeakPolarHBondContact O-CA 3.42Å; Q81-M84 WeakPolarHBondContact O-CB 3.34Å; Q81-M84 PolarHBondContact O-N 3.28Å; Q81-M84 VanDerWaalsContact OE1-CE 3.26Å; Q81-D85 PolarHBondContact NE2-OD1 2.83Å; Q81-D85 PolarHBondContact O-N 3.2Å
82K91.3Very high84.6Confident114 Ų11466.9 Ų66.950%0.49633%0.334SS..Hα-helixtrans-57.4-36176.4-177.3170.2-176.4172.10113.4D78 F80 E86D78-K82 WeakPolarHBondContact O-CB 3.31Å; D78-K82 PolarHBondContact O-N 2.87Å; F80-K82 PolarHBondContact O-N 2.93Å; K82-E86 WeakPolarHBondContact CE-OE1 3.35Å; K82-E86 HydrophobicContact CG-CG 4.45Å; K82-E86 IonicContact NZ-OE1 2.94Å; K82-E86 WeakPolarHBondContact O-CB 3.18Å; K82-E86 WeakPolarHBondContact O-CG 3.23Å; K82-E86 PolarHBondContact O-N 3.34Å
83I91.6Very high85.9Confident3 Ų361.3 Ų61.32%0.01531%0.313CS..Hα-helixtrans-73.9-40.6174.4-61.8176.1000110.7F79 F80 Q81 D85 T87 I91 A121 R124 I125F79-I83 HydrophobicContact CD2-CD1 4.39Å; F79-I83 HydrophobicContact CE1-CD1 3.83Å; F79-I83 HydrophobicContact CE2-CD1 3.66Å; F79-I83 HydrophobicContact CZ-CD1 3.34Å; F79-I83 WeakPolarHBondContact O-CG1 3.36Å; F79-I83 PolarHBondContact O-N 3.49Å; F80-I83 PolarHBondContact O-N 2.96Å; F80-I83 VanDerWaalsContact O-N 3.16Å; Q81-I83 VanDerWaalsContact C-N 3.26Å; Q81-I83 PolarHBondContact O-N 2.99Å; I83-D85 VanDerWaalsContact C-N 3.31Å; I83-D85 PolarHBondContact O-N 2.97Å; I83-T87 HydrophobicContact CG2-CG2 4.01Å; I83-T87 WeakPolarHBondContact O-CB 3.42Å; I83-T87 PolarHBondContact O-N 3.03Å; I83-T87 PolarHBondContact O-OG1 2.68Å; I83-I91 HydrophobicContact CB-CD1 3.85Å; I83-I91 HydrophobicContact CG2-CD1 3.61Å; I83-A121 HydrophobicContact CG2-CB 3.89Å; I83-R124 HydrophobicContact CD1-CB 3.95Å; I83-I125 HydrophobicContact CD1-CG1 3.85Å
84M91.6Very high87.7Confident34 Ų3457.3 Ų57.317%0.16729%0.29CS..Hα-helixtrans-57-46.2174.7-70.3-166.7-68.900111.1F80 Q81 Q88 T89 I91F80-M84 WeakPolarHBondContact O-CG 3.23Å; F80-M84 PolarHBondContact O-N 3.4Å; Q81-M84 HydrophobicContact CB-CE 4.43Å; Q81-M84 WeakPolarHBondContact O-CA 3.42Å; Q81-M84 WeakPolarHBondContact O-CB 3.34Å; Q81-M84 PolarHBondContact O-N 3.28Å; Q81-M84 VanDerWaalsContact OE1-CE 3.26Å; M84-Q88 WeakPolarHBondContact O-CA 3.4Å; M84-Q88 PolarHBondContact O-N 2.82Å; M84-T89 VanDerWaalsContact CA-O 3.25Å; M84-T89 WeakPolarHBondContact CA-O 3.26Å; M84-T89 WeakPolarHBondContact CB-O 3.38Å; M84-T89 WeakPolarHBondContact CG-O 3.23Å; M84-T89 PolarHBondContact O-N 3.15Å; M84-T89 VanDerWaalsContact O-N 3.13Å; M84-I91 HydrophobicContact CG-CB 3.7Å; M84-I91 HydrophobicContact CG-CD1 3.6Å; M84-I91 HydrophobicContact CG-CG1 3.68Å; M84-I91 HydrophobicContact SD-CB 3.96Å; M84-I91 PolarHBondContact SD-N 2.97Å
85D92.3Very high88.7Confident85 Ų8553.6 Ų53.646%0.45527%0.274SS..Hα-helixtrans-66.6-52.2-179.5-58.8-25.4000111.8Q81 I83 T87 Q88Q81-D85 PolarHBondContact NE2-OD1 2.83Å; Q81-D85 PolarHBondContact O-N 3.2Å; I83-D85 VanDerWaalsContact C-N 3.31Å; I83-D85 PolarHBondContact O-N 2.97Å; D85-T87 PolarHBondContact O-N 3.48Å; D85-Q88 PolarHBondContact O-NE2 3.46Å
86E93.7Very high88.8Confident104 Ų10463 Ų6349%0.48631%0.313SS..Hα-helixtrans-70.2-33.1-176.5-72.6179.1-170.400113.3K82 R124K82-E86 WeakPolarHBondContact CE-OE1 3.35Å; K82-E86 HydrophobicContact CG-CG 4.45Å; K82-E86 IonicContact NZ-OE1 2.94Å; K82-E86 WeakPolarHBondContact O-CB 3.18Å; K82-E86 WeakPolarHBondContact O-CG 3.23Å; K82-E86 PolarHBondContact O-N 3.34Å; E86-R124 IonicContact OE2-CZ 2.68Å; E86-R124 IonicContact OE2-NH1 2.89Å; E86-R124 PolarHBondContact OE2-NH1 2.85Å; E86-R124 IonicContact OE2-NH2 2.75Å; E86-R124 PolarHBondContact OE2-NH2 2.99Å
87T91.1Very high88.9Confident2 Ų264.3 Ų64.31%0.01232%0.32CS..Hα-helixtrans-96.2-5.7179.566.40000113.7I83 D85 T89 N117 E120 A121I83-T87 HydrophobicContact CG2-CG2 4.01Å; I83-T87 WeakPolarHBondContact O-CB 3.42Å; I83-T87 PolarHBondContact O-N 3.03Å; I83-T87 PolarHBondContact O-OG1 2.68Å; D85-T87 PolarHBondContact O-N 3.48Å; T87-T89 VanDerWaalsContact C-N 3.3Å; T87-T89 PolarHBondContact O-N 2.97Å; T87-T89 WeakPolarHBondContact OG1-CG2 3.26Å; T87-T89 PolarHBondContact OG1-OG1 2.84Å; T87-N117 WeakPolarHBondContact O-CB 3.46Å; T87-N117 PolarHBondContact O-ND2 3.44Å; T87-E120 HydrophobicContact CG2-CB 4.5Å; T87-E120 HydrophobicContact CG2-CG 4.42Å; T87-E120 WeakPolarHBondContact CG2-OE1 3.36Å; T87-A121 HydrophobicContact CG2-CB 4.09Å
88Q90.4Very high88.6Confident147 Ų14767.9 Ų67.969%0.68733%0.334SS*.THydrogen-bonded Turntrans52.347.3-172.5-59-72-71.500112M84 D85M84-Q88 WeakPolarHBondContact O-CA 3.4Å; M84-Q88 PolarHBondContact O-N 2.82Å; D85-Q88 PolarHBondContact O-NE2 3.46Å
89T93Very high88.3Confident9 Ų967.4 Ų67.46%0.05533%0.331CS..  trans-121.9154.9177.561.80000111.9M84 T87 V111 C112 N117 V118 A121M84-T89 VanDerWaalsContact CA-O 3.25Å; M84-T89 WeakPolarHBondContact CA-O 3.26Å; M84-T89 WeakPolarHBondContact CB-O 3.38Å; M84-T89 WeakPolarHBondContact CG-O 3.23Å; M84-T89 PolarHBondContact O-N 3.15Å; M84-T89 VanDerWaalsContact O-N 3.13Å; T87-T89 VanDerWaalsContact C-N 3.3Å; T87-T89 PolarHBondContact O-N 2.97Å; T87-T89 WeakPolarHBondContact OG1-CG2 3.26Å; T87-T89 PolarHBondContact OG1-OG1 2.84Å; T89-V111 HydrophobicContact CG2-CG1 4.32Å; T89-C112 WeakPolarHBondContact CA-O 3.46Å; T89-C112 WeakPolarHBondContact CB-O 3.33Å; T89-N117 HydrophobicContact CG2-CB 3.71Å; T89-V118 HydrophobicContact CG2-CG2 4.24Å; T89-A121 HydrophobicContact CG2-CB 4.04Å; T89-A121 WeakPolarHBondContact OG1-CB 3.39Å
90Q91.8Very high87.5Confident135 Ų13568.1 Ų68.163%0.63135%0.35SS*.EExtended strand (participates in β ladder)trans-98.8114.8172.5-171.7177.66200109.6V111 C112Q90-V111 WeakPolarHBondContact O-CA 3.32Å; Q90-C112 HydrophobicContact CB-CB 4.4Å; Q90-C112 PolarHBondContact N-O 2.78Å; Q90-C112 PolarHBondContact O-N 3.4Å
91I92.5Very high87Confident8 Ų869.8 Ų69.84%0.04136%0.364CS..EExtended strand (participates in β ladder)trans-108.1109-176.1-60.8163.3000109.8F80 I83 M84 W93 I109 K110 V111 I125F80-I91 HydrophobicContact CD1-CG2 3.74Å; F80-I91 HydrophobicContact CE1-CG2 4.19Å; F80-I91 HydrophobicContact CG-CG2 4.48Å; I83-I91 HydrophobicContact CB-CD1 3.85Å; I83-I91 HydrophobicContact CG2-CD1 3.61Å; M84-I91 HydrophobicContact CG-CB 3.7Å; M84-I91 HydrophobicContact CG-CD1 3.6Å; M84-I91 HydrophobicContact CG-CG1 3.68Å; M84-I91 HydrophobicContact SD-CB 3.96Å; M84-I91 PolarHBondContact SD-N 2.97Å; I91-W93 HydrophobicContact CG2-CB 4.46Å; I91-I109 HydrophobicContact CG2-CG2 3.76Å; I91-K110 WeakPolarHBondContact CA-O 3.36Å; I91-V111 HydrophobicContact CG1-CG1 4.11Å; I91-V111 HydrophobicContact CG1-CG2 4.18Å; I91-V111 HydrophobicContact CG2-CG2 4.42Å; I91-I125 HydrophobicContact CD1-CD1 3.75Å; I91-I125 HydrophobicContact CG1-CD1 4.12Å; I91-I125 HydrophobicContact CG2-CD1 3.99Å
92A89.9Confident85.9Confident58 Ų5876.3 Ų76.348%0.47939%0.391SS..EExtended strand (participates in β ladder)trans-96.3110.8174.200000110.4K110A92-K110 HydrophobicContact CB-CB 4.23Å; A92-K110 PolarHBondContact N-O 2.99Å; A92-K110 PolarHBondContact O-N 3.35Å
93W89.2Confident85Confident30 Ų3073.8 Ų73.811%0.11439%0.388CS..  trans-127.1154.6-172.773.1-81.3000111.3L61 L65 E77 F80 I91 S95 I109L61-W93 HydrophobicContact CD1-CE3 4.13Å; L61-W93 HydrophobicContact CD1-CZ3 4.04Å; L65-W93 HydrophobicContact CD1-CZ3 4.48Å; L65-W93 HydrophobicContact CD2-CH2 3.67Å; L65-W93 HydrophobicContact CD2-CZ3 3.7Å; L65-W93 HydrophobicContact CG-CZ3 4.18Å; E77-W93 HydrophobicContact CB-CZ2 4.4Å; E77-W93 WeakPolarHBondContact OE1-CZ2 3.22Å; E77-W93 PolarHBondContact OE1-NE1 3.24Å; E77-W93 VanDerWaalsContact OE1-NE1 3.14Å; E77-W93 WeakPolarHBondContact OE2-CZ2 3.24Å; F80-W93 HydrophobicContact CD1-CG 4.45Å; F80-W93 HydrophobicContact CD2-CB 4.23Å; F80-W93 AromaticContact CD2-CD1 3.74Å; F80-W93 AromaticContact CD2-CD2 3.23Å; F80-W93 HydrophobicContact CD2-CD2 3.23Å; F80-W93 AromaticContact CD2-CE2 3.33Å; F80-W93 AromaticContact CD2-CE3 3.63Å; F80-W93 HydrophobicContact CD2-CE3 3.63Å; F80-W93 AromaticContact CD2-CG 3.51Å; F80-W93 HydrophobicContact CD2-CG 3.51Å; F80-W93 HydrophobicContact CD2-CH2 4.11Å; F80-W93 AromaticContact CD2-CZ2 3.8Å; F80-W93 HydrophobicContact CD2-CZ2 3.8Å; F80-W93 HydrophobicContact CD2-CZ3 4.03Å; F80-W93 AromaticContact CD2-NE1 3.67Å; F80-W93 HydrophobicContact CE1-CB 4.31Å; F80-W93 HydrophobicContact CE2-CB 3.98Å; F80-W93 AromaticContact CE2-CD2 3.3Å; F80-W93 HydrophobicContact CE2-CD2 3.3Å; F80-W93 AromaticContact CE2-CE2 3.89Å; F80-W93 AromaticContact CE2-CE3 3.24Å; F80-W93 HydrophobicContact CE2-CE3 3.24Å; F80-W93 AromaticContact CE2-CG 3.65Å; F80-W93 HydrophobicContact CE2-CG 3.65Å; F80-W93 HydrophobicContact CE2-CH2 4.27Å; F80-W93 HydrophobicContact CE2-CZ2 4.35Å; F80-W93 AromaticContact CE2-CZ3 3.74Å; F80-W93 HydrophobicContact CE2-CZ3 3.74Å; F80-W93 AromaticContact CG-CD1 3.85Å; F80-W93 HydrophobicContact CG-CD2 4.11Å; F80-W93 AromaticContact CG-CG 3.94Å; F80-W93 HydrophobicContact CG-CG 3.94Å; F80-W93 HydrophobicContact CZ-CB 4Å; F80-W93 HydrophobicContact CZ-CD2 4.21Å; F80-W93 HydrophobicContact CZ-CE3 4.19Å; F80-W93 HydrophobicContact CZ-CG 4.16Å; I91-W93 HydrophobicContact CG2-CB 4.46Å; W93-S95 VanDerWaalsContact CZ3-CA 3.45Å; W93-S95 PolarHBondContact O-N 3Å; W93-I109 HydrophobicContact CB-CD1 4.41Å; W93-I109 HydrophobicContact CB-CG1 4.21Å; W93-I109 HydrophobicContact CB-CG2 4.38Å
94P86.3Confident83.7Confident41 Ų4184 Ų8427%0.26643%0.432SS..  trans-85.273.3-173.733.1-33.2000111.9L61 K96 L97 P107L61-P94 HydrophobicContact CD2-CG 3.89Å; P94-K96 VanDerWaalsContact C-N 3.29Å; P94-K96 PolarHBondContact O-N 2.82Å; P94-L97 WeakPolarHBondContact O-CB 3.27Å; P94-L97 PolarHBondContact O-N 2.76Å; P94-P107 HydrophobicContact CG-CB 3.84Å
95S81Confident83.1Confident48 Ų4889 Ų8934%0.33645%0.453SS..THydrogen-bonded Turntrans-57.9-37.6179.859.30000113.6L65 W93 L97L65-S95 WeakPolarHBondContact CD2-O 3.41Å; W93-S95 VanDerWaalsContact CZ3-CA 3.45Å; W93-S95 PolarHBondContact O-N 3Å; S95-L97 PolarHBondContact O-N 2.9Å; S95-L97 VanDerWaalsContact O-N 3.08Å
96K78.1Confident82.7Confident201 Ų20187.3 Ų87.387%0.87444%0.444SS*.THydrogen-bonded Turntrans-8231.7177.1-59.7179.7-177.8176.80113.5P94 K98P94-K96 VanDerWaalsContact C-N 3.29Å; P94-K96 PolarHBondContact O-N 2.82Å; K96-K98 PolarHBondContact O-N 2.88Å
97L81.3Confident82.4Confident30 Ų3083 Ų8316%0.15743%0.425CS..  trans-68.3120.5178-172.170.1000110.5R58 L61 E62 L65 P94 S95 I99R58-L97 HydrophobicContact CG-CD2 4.47Å; L61-L97 HydrophobicContact CD2-CD2 4.19Å; L61-L97 HydrophobicContact CG-CD2 4.33Å; E62-L97 HydrophobicContact CG-CD2 3.94Å; L65-L97 HydrophobicContact CD1-CB 3.84Å; P94-L97 WeakPolarHBondContact O-CB 3.27Å; P94-L97 PolarHBondContact O-N 2.76Å; S95-L97 PolarHBondContact O-N 2.9Å; S95-L97 VanDerWaalsContact O-N 3.08Å; L97-I99 PolarHBondContact O-N 3Å
98K80.1Confident82.2Confident169 Ų16985.3 Ų85.374%0.73544%0.436SS*.  trans-64.2100.9176-173.6171.2-177.5166.90111.2R58 K96 A101R58-K98 PolarHBondContact NH2-O 2.87Å; K96-K98 PolarHBondContact O-N 2.88Å; K98-A101 HydrophobicContact CB-CB 4.35Å; K98-A101 HydrophobicContact CD-CB 4.42Å; K98-A101 HydrophobicContact CG-CB 4.16Å; K98-A101 WeakPolarHBondContact O-CB 3.29Å; K98-A101 PolarHBondContact O-N 2.88Å
99I79.8Confident82.2Confident72 Ų7278.3 Ų78.337%0.36940%0.403SS..THydrogen-bonded Turntrans-56.5143.8176.7-61.1160.1000110.4L65 L66 L97 A101L65-I99 HydrophobicContact CB-CD1 4.2Å; L65-I99 HydrophobicContact CB-CG1 4.47Å; L66-I99 HydrophobicContact CD1-CG2 3.95Å; L66-I99 HydrophobicContact CD2-CD1 4.26Å; L66-I99 HydrophobicContact CD2-CG2 4.09Å; L66-I99 HydrophobicContact CG-CD1 4.19Å; L66-I99 HydrophobicContact CG-CG2 3.97Å; L97-I99 PolarHBondContact O-N 3Å; I99-A101 PolarHBondContact O-N 2.73Å; I99-A101 VanDerWaalsContact O-N 3.09Å
100G71.8Confident82.2Confident58 Ų5881.6 Ų81.660%0.59842%0.416SS*.THydrogen-bonded Turntrans72.4-4.217700000115.5E62 K102E62-G100 PolarHBondContact OE2-N 3.04Å; G100-K102 PolarHBondContact O-N 2.71Å
101A80.6Confident82.3Confident35 Ų3575.1 Ų75.129%0.28939%0.386SS..  trans-71.4125.5175.200000110.7R58 K98 I99 S103R58-A101 PolarHBondContact NE-O 3.43Å; R58-A101 PolarHBondContact NH2-O 3.03Å; K98-A101 HydrophobicContact CB-CB 4.35Å; K98-A101 HydrophobicContact CD-CB 4.42Å; K98-A101 HydrophobicContact CG-CB 4.16Å; K98-A101 WeakPolarHBondContact O-CB 3.29Å; K98-A101 PolarHBondContact O-N 2.88Å; I99-A101 PolarHBondContact O-N 2.73Å; I99-A101 VanDerWaalsContact O-N 3.09Å; A101-S103 PolarHBondContact O-N 3.19Å
102K67.1Low82.3Confident219 Ų21975.7 Ų75.795%0.95239%0.39SS*.  trans-70.838.7-176.7-59.6-178.5-179176.50114.5G100 K104G100-K102 PolarHBondContact O-N 2.71Å; K102-K104 PolarHBondContact O-N 3.27Å
103S72.9Confident82.4Confident61 Ų6172.9 Ų72.943%0.42737%0.368SS..  trans-73125.9177.5-177.40000111R58 A101 K105R58-S103 WeakPolarHBondContact CD-O 2.95Å; A101-S103 PolarHBondContact O-N 3.19Å; S103-K105 PolarHBondContact O-N 2.82Å; S103-K105 PolarHBondContact OG-N 3.03Å
104K64Low82.6Confident217 Ų21775.6 Ų75.694%0.94338%0.38SS*.  trans-78.6-1.9178.9-161.3179.4177.4-176.90113.5K102K102-K104 PolarHBondContact O-N 3.27Å
105K79.1Confident82.7Confident140 Ų14079 Ų7961%0.60939%0.387SS*.SBendtrans-101.9118.8-176.4-168.3175.2-177.6179.10110.5S103S103-K105 PolarHBondContact O-N 2.82Å; S103-K105 PolarHBondContact OG-N 3.03Å
106D82.7Confident83.1Confident49 Ų4980.7 Ų80.726%0.26239%0.393SS..PPolyproline II helixtrans-58.5135.3174.2-80-24.8000111.1R55 V56 H108 K132R55-D106 HydrophobicContact CB-CB 4.22Å; V56-D106 WeakPolarHBondContact O-CB 3.33Å; D106-H108 PolarHBondContact O-CE1 3.28Å; D106-H108 PolarHBondContact O-ND1 2.97Å; D106-K132 IonicContact OD2-NZ 3.26Å; D106-K132 PolarHBondContact OD2-NZ 3.4Å
107P87.3Confident83.8Confident13 Ų1373.4 Ų73.48%0.08436%0.364CS..PPolyproline II helixtrans-60.5154.1173.725.8-33.8000111.3R55 V56 R58 L61 P94R55-P107 WeakPolarHBondContact CA-O 3.42Å; V56-P107 HydrophobicContact CG2-CG 3.88Å; V56-P107 PolarHBondContact N-O 3.21Å; V56-P107 VanDerWaalsContact N-O 3.12Å; V56-P107 WeakPolarHBondContact O-CD 3.48Å; R58-P107 HydrophobicContact CB-CG 4.4Å; L61-P107 HydrophobicContact CD2-CB 4.06Å; L61-P107 HydrophobicContact CD2-CG 3.81Å; P94-P107 HydrophobicContact CG-CB 3.84Å
108H87.4Confident84.3Confident52 Ų5272 Ų7224%0.24136%0.356CS..EExtended strand (participates in β ladder)trans-113.9142.6177.3-5942.2000109R53 F54 R55 D106R53-H108 HydrophobicContact CG-CB 4.49Å; F54-H108 CarbonylContact O-C 3.57Å; F54-H108 WeakPolarHBondContact O-CA 3.49Å; R55-H108 PolarHBondContact NE-CE1 3.07Å; R55-H108 PolarHBondContact NE-NE2 3.36Å; R55-H108 PolarHBondContact NH2-NE2 3.33Å; D106-H108 PolarHBondContact O-CE1 3.28Å; D106-H108 PolarHBondContact O-ND1 2.97Å
109I91.4Very high84.6Confident0 Ų070.2 Ų70.20%035%0.345CS..EExtended strand (participates in β ladder)trans-116.2142.6172.6-62.1179.3000107.4R53 F54 V56 F80 I91 W93 V111 I125 L129R53-I109 WeakPolarHBondContact CA-O 3.37Å; R53-I109 WeakPolarHBondContact CG-O 3.25Å; F54-I109 HydrophobicContact CE2-CB 4.07Å; F54-I109 HydrophobicContact CE2-CG2 4.44Å; F54-I109 HydrophobicContact CZ-CB 4.21Å; F54-I109 HydrophobicContact CZ-CG2 4.13Å; F54-I109 PolarHBondContact N-O 2.99Å; F54-I109 VanDerWaalsContact N-O 3.07Å; F54-I109 PolarHBondContact O-N 3.41Å; V56-I109 HydrophobicContact CB-CD1 4.48Å; V56-I109 HydrophobicContact CG1-CD1 3.79Å; V56-I109 HydrophobicContact CG1-CG1 4.37Å; V56-I109 HydrophobicContact CG2-CD1 3.87Å; V56-I109 HydrophobicContact CG2-CG1 4.26Å; F80-I109 HydrophobicContact CE1-CD1 3.73Å; F80-I109 HydrophobicContact CZ-CD1 3.54Å; I91-I109 HydrophobicContact CG2-CG2 3.76Å; W93-I109 HydrophobicContact CB-CD1 4.41Å; W93-I109 HydrophobicContact CB-CG1 4.21Å; W93-I109 HydrophobicContact CB-CG2 4.38Å; I109-V111 HydrophobicContact CG2-CG2 4.21Å; I109-I125 HydrophobicContact CD1-CG2 3.8Å; I109-L129 HydrophobicContact CD1-CD1 4.01Å
110K92.2Very high85.1Confident77 Ų7771.3 Ų71.334%0.33535%0.348SS..EExtended strand (participates in β ladder)trans-107.7142.6168.6-72.7169.8150.6-104.90108.6E51 E52 R53 I91 A92E51-K110 WeakPolarHBondContact OE1-CE 3.42Å; E51-K110 WeakPolarHBondContact OE1-CG 3.22Å; E51-K110 IonicContact OE1-NZ 3.1Å; E51-K110 PolarHBondContact OE1-NZ 3.01Å; E51-K110 IonicContact OE2-NZ 3.77Å; E51-K110 PolarHBondContact OE2-NZ 3.33Å; E52-K110 CarbonylContact O-C 3.58Å; E52-K110 WeakPolarHBondContact O-CA 3.49Å; R53-K110 HydrophobicContact CB-CG 4.3Å; R53-K110 HydrophobicContact CG-CG 3.94Å; I91-K110 WeakPolarHBondContact CA-O 3.36Å; A92-K110 HydrophobicContact CB-CB 4.23Å; A92-K110 PolarHBondContact N-O 2.99Å; A92-K110 PolarHBondContact O-N 3.35Å
111V94.4Very high86Confident0 Ų068.5 Ų68.50%032%0.32CS..EExtended strand (participates in β ladder)trans-133.1126.4174-175.10000108.1E51 E52 F54 T89 Q90 I91 I109 V118 A121 I125E51-V111 WeakPolarHBondContact CA-O 3.25Å; E52-V111 PolarHBondContact N-O 3.19Å; E52-V111 PolarHBondContact O-N 2.95Å; F54-V111 HydrophobicContact CE1-CG2 3.61Å; F54-V111 HydrophobicContact CZ-CG2 3.93Å; T89-V111 HydrophobicContact CG2-CG1 4.32Å; Q90-V111 WeakPolarHBondContact O-CA 3.32Å; I91-V111 HydrophobicContact CG1-CG1 4.11Å; I91-V111 HydrophobicContact CG1-CG2 4.18Å; I91-V111 HydrophobicContact CG2-CG2 4.42Å; I109-V111 HydrophobicContact CG2-CG2 4.21Å; V111-V118 HydrophobicContact CB-CG1 4.28Å; V111-V118 HydrophobicContact CG1-CB 4.4Å; V111-V118 HydrophobicContact CG1-CG1 4.12Å; V111-V118 HydrophobicContact CG1-CG2 4.25Å; V111-A121 HydrophobicContact CG1-CB 3.8Å; V111-I125 HydrophobicContact CG2-CD1 3.78Å
112C91.9Very high86.3Confident19 Ų1969.2 Ų69.213%0.12832%0.317CS..EExtended strand (participates in β ladder)trans-123.7140.5-177.2-58.10000110.7W49 T50 T89 Q90W49-C112 HydrophobicContact CZ2-CB 4.5Å; T50-C112 WeakPolarHBondContact O-CA 3.21Å; T89-C112 WeakPolarHBondContact CA-O 3.46Å; T89-C112 WeakPolarHBondContact CB-O 3.33Å; Q90-C112 HydrophobicContact CB-CB 4.4Å; Q90-C112 PolarHBondContact N-O 2.78Å; Q90-C112 PolarHBondContact O-N 3.4Å
113G92.8Very high87.1Confident0 Ų061.7 Ų61.70%029%0.287CS..EExtended strand (participates in β ladder)trans156.1-161.7178.900000112.5W49 T50 V118W49-G113 WeakPolarHBondContact CA-O 3.37Å; T50-G113 PolarHBondContact N-O 2.63Å; T50-G113 PolarHBondContact O-N 3.25Å; T50-G113 VanDerWaalsContact O-N 3.14Å; G113-V118 VanDerWaalsContact N-CG2 3.31Å
114K92.7Very high87.7Confident86 Ų8662.2 Ų62.237%0.37428%0.279SS..EExtended strand (participates in β ladder)trans-61.5142.4170.6-78.7177174.3-81.40111.3E48 D116 N117 V118E48-K114 HydrophobicContact CB-CG 4.41Å; E48-K114 IonicContact OE2-NZ 2.65Å; E48-K114 PolarHBondContact OE2-NZ 2.96Å; K114-D116 PolarHBondContact O-N 3.34Å; K114-N117 HydrophobicContact CB-CB 4.23Å; K114-N117 WeakPolarHBondContact O-CB 3.39Å; K114-N117 PolarHBondContact O-N 3.43Å; K114-V118 VanDerWaalsContact O-CG2 3.31Å; K114-V118 WeakPolarHBondContact O-CG2 3.45Å; K114-V118 PolarHBondContact O-N 3.09Å
115R88.9Confident88.8Confident112 Ų11251.9 Ų51.942%0.42323%0.234SC..Hα-helixtrans-46.9-48.8-174.3-173.4172.6-64.4108.77.6115.3P47 E48 R119P47-R115 PolarHBondContact O-NH2 2.88Å; E48-R115 PolarHBondContact O-N 2.97Å; R115-R119 PolarHBondContact O-N 3.1Å
116D89.8Confident89Confident84 Ų8447.2 Ų47.245%0.44922%0.215SC..Hα-helixtrans-77.8-38.1-177.6-62.1-64.4000112.1K114 V118 R119 E120K114-D116 PolarHBondContact O-N 3.34Å; D116-V118 VanDerWaalsContact C-N 3.31Å; D116-V118 PolarHBondContact O-N 3.13Å; D116-R119 WeakPolarHBondContact O-CA 3.35Å; D116-R119 WeakPolarHBondContact O-CB 3.44Å; D116-R119 PolarHBondContact O-N 3.48Å; D116-R119 VanDerWaalsContact O-N 3.1Å; D116-R119 IonicContact OD1-CZ 3.2Å; D116-R119 VanDerWaalsContact OD1-CZ 3.26Å; D116-R119 IonicContact OD1-NH1 2.66Å; D116-R119 PolarHBondContact OD1-NH1 2.68Å; D116-R119 IonicContact OD1-NH2 2.72Å; D116-R119 PolarHBondContact OD1-NH2 3.13Å; D116-E120 PolarHBondContact O-N 3.45Å
117N92Very high88.7Confident49 Ų4949 Ų4926%0.26223%0.231SC..Hα-helixtrans-57.7-42.7171.2-59.247.8000111.8T87 T89 K114 R119 E120 A121T87-N117 WeakPolarHBondContact O-CB 3.46Å; T87-N117 PolarHBondContact O-ND2 3.44Å; T89-N117 HydrophobicContact CG2-CB 3.71Å; K114-N117 HydrophobicContact CB-CB 4.23Å; K114-N117 WeakPolarHBondContact O-CB 3.39Å; K114-N117 PolarHBondContact O-N 3.43Å; N117-R119 VanDerWaalsContact C-N 3.34Å; N117-E120 PolarHBondContact O-N 3.16Å; N117-A121 VanDerWaalsContact O-CB 3.25Å; N117-A121 WeakPolarHBondContact O-CB 3.16Å; N117-A121 PolarHBondContact O-N 3.44Å
118V91.4Very high88.2Confident1 Ų151 Ų511%0.00624%0.243CC..Hα-helixtrans-64.2-38.5175.3170.80000111.2E52 T89 V111 G113 K114 D116 K122E52-V118 HydrophobicContact CB-CG1 3.83Å; T89-V118 HydrophobicContact CG2-CG2 4.24Å; V111-V118 HydrophobicContact CB-CG1 4.28Å; V111-V118 HydrophobicContact CG1-CB 4.4Å; V111-V118 HydrophobicContact CG1-CG1 4.12Å; V111-V118 HydrophobicContact CG1-CG2 4.25Å; G113-V118 VanDerWaalsContact N-CG2 3.31Å; K114-V118 VanDerWaalsContact O-CG2 3.31Å; K114-V118 WeakPolarHBondContact O-CG2 3.45Å; K114-V118 PolarHBondContact O-N 3.09Å; D116-V118 VanDerWaalsContact C-N 3.31Å; D116-V118 PolarHBondContact O-N 3.13Å; V118-K122 WeakPolarHBondContact O-CB 3.31Å; V118-K122 PolarHBondContact O-N 3.26Å
119R87Confident87.9Confident130 Ų13048.6 Ų48.649%0.49123%0.232SC..Hα-helixtrans-63.2-47.8173.8-169.6-169.3-62.2124.58.8111.1R115 D116 N117 K122 D123R115-R119 PolarHBondContact O-N 3.1Å; D116-R119 WeakPolarHBondContact O-CA 3.35Å; D116-R119 WeakPolarHBondContact O-CB 3.44Å; D116-R119 PolarHBondContact O-N 3.48Å; D116-R119 VanDerWaalsContact O-N 3.1Å; D116-R119 IonicContact OD1-CZ 3.2Å; D116-R119 VanDerWaalsContact OD1-CZ 3.26Å; D116-R119 IonicContact OD1-NH1 2.66Å; D116-R119 PolarHBondContact OD1-NH1 2.68Å; D116-R119 IonicContact OD1-NH2 2.72Å; D116-R119 PolarHBondContact OD1-NH2 3.13Å; N117-R119 VanDerWaalsContact C-N 3.34Å; R119-K122 PolarHBondContact O-N 2.63Å; R119-D123 PolarHBondContact O-N 2.87Å
120E89Confident87Confident95 Ų9549.3 Ų49.344%0.44424%0.236SC..Hα-helixtrans-62.7-51.6178.6-166.3-157.3133.400111.3T87 D116 N117 K122 D123 R124T87-E120 HydrophobicContact CG2-CB 4.5Å; T87-E120 HydrophobicContact CG2-CG 4.42Å; T87-E120 WeakPolarHBondContact CG2-OE1 3.36Å; D116-E120 PolarHBondContact O-N 3.45Å; N117-E120 PolarHBondContact O-N 3.16Å; E120-K122 VanDerWaalsContact C-N 3.31Å; E120-K122 PolarHBondContact O-N 2.99Å; E120-D123 PolarHBondContact O-N 3.44Å; E120-D123 VanDerWaalsContact O-N 3.12Å; E120-R124 HydrophobicContact CG-CG 4.39Å; E120-R124 WeakPolarHBondContact O-CB 3.44Å; E120-R124 VanDerWaalsContact O-CG 3.31Å; E120-R124 WeakPolarHBondContact O-CG 3.09Å; E120-R124 PolarHBondContact O-N 2.94Å; E120-R124 WeakPolarHBondContact OE1-CD 3.23Å; E120-R124 IonicContact OE1-NH1 3Å; E120-R124 PolarHBondContact OE1-NH1 3.47Å
121A90.4Very high85.7Confident0 Ų047.8 Ų47.80%023%0.233CC..Hα-helixtrans-55.2-46.517800000111.4I83 T87 T89 V111 N117 R124 I125I83-A121 HydrophobicContact CG2-CB 3.89Å; T87-A121 HydrophobicContact CG2-CB 4.09Å; T89-A121 HydrophobicContact CG2-CB 4.04Å; T89-A121 WeakPolarHBondContact OG1-CB 3.39Å; V111-A121 HydrophobicContact CG1-CB 3.8Å; N117-A121 VanDerWaalsContact O-CB 3.25Å; N117-A121 WeakPolarHBondContact O-CB 3.16Å; N117-A121 PolarHBondContact O-N 3.44Å; A121-R124 PolarHBondContact O-N 3.44Å; A121-I125 WeakPolarHBondContact O-CB 3.15Å; A121-I125 VanDerWaalsContact O-CD1 3.29Å; A121-I125 WeakPolarHBondContact O-CD1 3.4Å; A121-I125 WeakPolarHBondContact O-CG1 3.14Å; A121-I125 PolarHBondContact O-N 2.74Å
122K88.1Confident84.3Confident50 Ų5052.8 Ų52.822%0.21726%0.255CS..Hα-helixtrans-58.4-50.6173.5166.3178143.5-166.30112.4E52 F54 V118 R119 E120 R124 I125 M126E52-K122 HydrophobicContact CG-CD 4.29Å; E52-K122 WeakPolarHBondContact OE1-CE 3.46Å; E52-K122 IonicContact OE1-NZ 2.67Å; E52-K122 PolarHBondContact OE1-NZ 2.83Å; E52-K122 WeakPolarHBondContact OE2-CD 3.41Å; E52-K122 IonicContact OE2-NZ 2.9Å; E52-K122 PolarHBondContact OE2-NZ 2.83Å; F54-K122 HydrophobicContact CD1-CB 4.31Å; F54-K122 HydrophobicContact CD1-CD 3.91Å; F54-K122 HydrophobicContact CD1-CG 3.82Å; F54-K122 HydrophobicContact CE1-CB 3.7Å; F54-K122 HydrophobicContact CE1-CD 4.16Å; F54-K122 HydrophobicContact CE1-CG 3.64Å; F54-K122 HydrophobicContact CG-CG 4.47Å; F54-K122 HydrophobicContact CZ-CB 4.22Å; F54-K122 HydrophobicContact CZ-CG 4.16Å; V118-K122 WeakPolarHBondContact O-CB 3.31Å; V118-K122 PolarHBondContact O-N 3.26Å; R119-K122 PolarHBondContact O-N 2.63Å; E120-K122 VanDerWaalsContact C-N 3.31Å; E120-K122 PolarHBondContact O-N 2.99Å; K122-R124 VanDerWaalsContact C-N 3.3Å; K122-R124 PolarHBondContact O-N 3.35Å; K122-I125 PolarHBondContact O-N 3.15Å; K122-M126 HydrophobicContact CG-CG 4.15Å; K122-M126 VanDerWaalsContact O-CB 3.28Å; K122-M126 WeakPolarHBondContact O-CB 3.14Å; K122-M126 VanDerWaalsContact O-CG 3.24Å; K122-M126 WeakPolarHBondContact O-CG 3.33Å; K122-M126 PolarHBondContact O-N 2.73Å
123D83.6Confident83.2Confident61 Ų6154.8 Ų54.833%0.32627%0.269SS..Hα-helixtrans-66.8-33.5-177-92.8-20.3000111.8R119 E120 S127 K360R119-D123 PolarHBondContact O-N 2.87Å; E120-D123 PolarHBondContact O-N 3.44Å; E120-D123 VanDerWaalsContact O-N 3.12Å; D123-S127 VanDerWaalsContact O-CB 3.24Å; D123-S127 WeakPolarHBondContact O-CB 3.5Å; D123-S127 PolarHBondContact O-N 2.93Å; D123-K360 IonicContact OD1-NZ 3.02Å; D123-K360 PolarHBondContact OD1-NZ 2.85Å; D123-K360 IonicContact OD2-NZ 2.75Å; D123-K360 PolarHBondContact OD2-NZ 2.88Å
124R85.1Confident82.7Confident72 Ų7258.3 Ų58.327%0.27229%0.288SS..Hα-helixtrans-64.5-47.9170.9-70.1175581573.8112.2I83 E86 E120 A121 K122 S127 V128I83-R124 HydrophobicContact CD1-CB 3.95Å; E86-R124 IonicContact OE2-CZ 2.68Å; E86-R124 IonicContact OE2-NH1 2.89Å; E86-R124 PolarHBondContact OE2-NH1 2.85Å; E86-R124 IonicContact OE2-NH2 2.75Å; E86-R124 PolarHBondContact OE2-NH2 2.99Å; E120-R124 HydrophobicContact CG-CG 4.39Å; E120-R124 WeakPolarHBondContact O-CB 3.44Å; E120-R124 VanDerWaalsContact O-CG 3.31Å; E120-R124 WeakPolarHBondContact O-CG 3.09Å; E120-R124 PolarHBondContact O-N 2.94Å; E120-R124 WeakPolarHBondContact OE1-CD 3.23Å; E120-R124 IonicContact OE1-NH1 3Å; E120-R124 PolarHBondContact OE1-NH1 3.47Å; A121-R124 PolarHBondContact O-N 3.44Å; K122-R124 VanDerWaalsContact C-N 3.3Å; K122-R124 PolarHBondContact O-N 3.35Å; R124-S127 PolarHBondContact O-N 2.86Å; R124-V128 PolarHBondContact O-N 2.71Å
125I88.2Confident82.4Confident0 Ų060 Ų600%029%0.292CS..Hα-helixtrans-61.8-44.2175.7-65.9160.4000110.7F54 V56 F80 I83 I91 I109 V111 A121 K122 V128 L129F54-I125 HydrophobicContact CE2-CB 4.29Å; F54-I125 HydrophobicContact CE2-CG2 3.7Å; F54-I125 HydrophobicContact CZ-CB 4.03Å; F54-I125 HydrophobicContact CZ-CD1 4Å; F54-I125 HydrophobicContact CZ-CG2 3.82Å; V56-I125 HydrophobicContact CG1-CG2 4.37Å; F80-I125 HydrophobicContact CD1-CD1 4.48Å; F80-I125 HydrophobicContact CD1-CG1 4.31Å; F80-I125 HydrophobicContact CE1-CD1 4.32Å; F80-I125 HydrophobicContact CE1-CG1 4.06Å; F80-I125 HydrophobicContact CE1-CG2 3.9Å; I83-I125 HydrophobicContact CD1-CG1 3.85Å; I91-I125 HydrophobicContact CD1-CD1 3.75Å; I91-I125 HydrophobicContact CG1-CD1 4.12Å; I91-I125 HydrophobicContact CG2-CD1 3.99Å; I109-I125 HydrophobicContact CD1-CG2 3.8Å; V111-I125 HydrophobicContact CG2-CD1 3.78Å; A121-I125 WeakPolarHBondContact O-CB 3.15Å; A121-I125 VanDerWaalsContact O-CD1 3.29Å; A121-I125 WeakPolarHBondContact O-CD1 3.4Å; A121-I125 WeakPolarHBondContact O-CG1 3.14Å; A121-I125 PolarHBondContact O-N 2.74Å; K122-I125 PolarHBondContact O-N 3.15Å; I125-V128 PolarHBondContact O-N 3.31Å; I125-L129 HydrophobicContact CG2-CD1 4.03Å; I125-L129 WeakPolarHBondContact O-CB 3.39Å; I125-L129 PolarHBondContact O-N 2.91Å
126M82.6Confident82.7Confident42 Ų4254.7 Ų54.721%0.20727%0.272CS..Hα-helixtrans-69.4-38.2-178.8-73.7-67.9-72.100112.2F54 V56 K122 V128 L129 D130F54-M126 HydrophobicContact CD2-CG 3.99Å; F54-M126 HydrophobicContact CD2-SD 3.44Å; F54-M126 WeakPolarHBondContact CD2-SD 3.42Å; F54-M126 HydrophobicContact CE2-CG 3.93Å; F54-M126 HydrophobicContact CE2-SD 3.8Å; F54-M126 HydrophobicContact CG-SD 4.3Å; V56-M126 HydrophobicContact CG1-SD 4.05Å; K122-M126 HydrophobicContact CG-CG 4.15Å; K122-M126 VanDerWaalsContact O-CB 3.28Å; K122-M126 WeakPolarHBondContact O-CB 3.14Å; K122-M126 VanDerWaalsContact O-CG 3.24Å; K122-M126 WeakPolarHBondContact O-CG 3.33Å; K122-M126 PolarHBondContact O-N 2.73Å; M126-V128 PolarHBondContact O-N 2.91Å; M126-L129 PolarHBondContact O-N 3.19Å; M126-D130 HydrophobicContact CE-CB 3.68Å; M126-D130 WeakPolarHBondContact O-CA 3.45Å; M126-D130 VanDerWaalsContact O-CB 3.3Å; M126-D130 WeakPolarHBondContact O-CB 3.27Å; M126-D130 PolarHBondContact O-N 3.11Å; M126-D130 HydrophobicContact SD-CB 4.17Å
127S76Confident83Confident85 Ų8552.3 Ų52.359%0.59426%0.261SS*.Hα-helixtrans-55.3-40.7172.6-176.60000111.8D123 R124D123-S127 VanDerWaalsContact O-CB 3.24Å; D123-S127 WeakPolarHBondContact O-CB 3.5Å; D123-S127 PolarHBondContact O-N 2.93Å; R124-S127 PolarHBondContact O-N 2.86Å
128V77.6Confident83.3Confident56 Ų5650 Ų5034%0.33925%0.248SC..Hα-helixtrans-85.3-35179.1178.60000113.2K60 F79 R124 I125 M126K60-V128 WeakPolarHBondContact CD-O 3.46Å; K60-V128 WeakPolarHBondContact CE-O 3.4Å; K60-V128 PolarHBondContact NZ-O 2.83Å; F79-V128 HydrophobicContact CD2-CG1 4.48Å; F79-V128 HydrophobicContact CE1-CB 4.37Å; F79-V128 HydrophobicContact CE1-CG1 4.32Å; F79-V128 HydrophobicContact CE2-CB 3.85Å; F79-V128 HydrophobicContact CE2-CG1 3.87Å; F79-V128 HydrophobicContact CE2-CG2 3.62Å; F79-V128 HydrophobicContact CZ-CB 3.53Å; F79-V128 HydrophobicContact CZ-CG1 3.76Å; F79-V128 HydrophobicContact CZ-CG2 3.74Å; R124-V128 PolarHBondContact O-N 2.71Å; I125-V128 PolarHBondContact O-N 3.31Å; M126-V128 PolarHBondContact O-N 2.91Å
129L79.9Confident83.5Confident1 Ų152.8 Ų52.81%0.00526%0.26CS..Hα-helixtrans-112.3-2.9-170.3-61.3-179.1000116.1V56 D57 L61 M64 F79 F80 I109 I125 M126V56-L129 HydrophobicContact CB-CB 3.77Å; V56-L129 HydrophobicContact CG1-CB 3.93Å; V56-L129 HydrophobicContact CG2-CB 4.29Å; V56-L129 HydrophobicContact CG2-CD1 4.35Å; D57-L129 WeakPolarHBondContact CB-O 3.16Å; D57-L129 PolarHBondContact N-O 3.02Å; L61-L129 HydrophobicContact CD1-CD1 4.17Å; M64-L129 HydrophobicContact CE-CD1 4.19Å; M64-L129 HydrophobicContact CE-CD2 4.13Å; M64-L129 HydrophobicContact SD-CD2 3.94Å; F79-L129 HydrophobicContact CE1-CD1 4.38Å; F80-L129 HydrophobicContact CE1-CD1 4.06Å; F80-L129 HydrophobicContact CE2-CD1 4.31Å; F80-L129 HydrophobicContact CZ-CD1 3.43Å; F80-L129 VanDerWaalsContact CZ-CD1 3.43Å; I109-L129 HydrophobicContact CD1-CD1 4.01Å; I125-L129 HydrophobicContact CG2-CD1 4.03Å; I125-L129 WeakPolarHBondContact O-CB 3.39Å; I125-L129 PolarHBondContact O-N 2.91Å; M126-L129 PolarHBondContact O-N 3.19Å
130D72.5Confident83.9Confident15 Ų1546.8 Ų46.88%0.0824%0.238CC..  trans-100.6111.4168.2-178.936.6000112.1M126 K132 S133M126-D130 HydrophobicContact CE-CB 3.68Å; M126-D130 WeakPolarHBondContact O-CA 3.45Å; M126-D130 VanDerWaalsContact O-CB 3.3Å; M126-D130 WeakPolarHBondContact O-CB 3.27Å; M126-D130 PolarHBondContact O-N 3.11Å; M126-D130 HydrophobicContact SD-CB 4.17Å; D130-K132 PolarHBondContact O-N 3.11Å; D130-K132 WeakPolarHBondContact OD1-CB 3.29Å; D130-K132 WeakPolarHBondContact OD1-CD 3.37Å; D130-K132 WeakPolarHBondContact OD1-CG 3.27Å; D130-K132 PolarHBondContact OD1-N 3.2Å; D130-S133 WeakPolarHBondContact OD2-CB 3.5Å; D130-S133 PolarHBondContact OD2-N 3.33Å; D130-S133 PolarHBondContact OD2-OG 2.94Å
131T66.5Low84.1Confident46 Ų4642.9 Ų42.928%0.28222%0.22SC..THydrogen-bonded Turntrans-78.2-4.4173.3-31.20000112.7D57 R135D57-T131 WeakPolarHBondContact CB-OG1 3.03Å; D57-T131 VanDerWaalsContact OD2-CB 3.25Å; D57-T131 WeakPolarHBondContact OD2-CB 3.38Å; D57-T131 PolarHBondContact OD2-OG1 3.18Å; T131-R135 WeakPolarHBondContact O-CB 3.48Å
132K64.4Low84.2Confident104 Ų10442.9 Ų42.945%0.45222%0.22SC..THydrogen-bonded Turntrans-92.2-45.5-171.7-56.7155.7-169.6153.80111.9D106 D130 R135D106-K132 IonicContact OD2-NZ 3.26Å; D106-K132 PolarHBondContact OD2-NZ 3.4Å; D130-K132 PolarHBondContact O-N 3.11Å; D130-K132 WeakPolarHBondContact OD1-CB 3.29Å; D130-K132 WeakPolarHBondContact OD1-CD 3.37Å; D130-K132 WeakPolarHBondContact OD1-CG 3.27Å; D130-K132 PolarHBondContact OD1-N 3.2Å; K132-R135 VanDerWaalsContact O-CB 3.26Å; K132-R135 WeakPolarHBondContact O-CB 3.3Å; K132-R135 PolarHBondContact O-N 2.93Å
133S68.9Low84.2Confident62 Ų6240.6 Ų40.643%0.43421%0.21SC..THydrogen-bonded Turntrans-60.6-53.1-179.849.30000114D130 R135D130-S133 WeakPolarHBondContact OD2-CB 3.5Å; D130-S133 PolarHBondContact OD2-N 3.33Å; D130-S133 PolarHBondContact OD2-OG 2.94Å; S133-R135 PolarHBondContact O-N 3.44Å; S133-R135 VanDerWaalsContact O-N 3.15Å
134N81.4Confident84.4Confident74 Ų7440.8 Ų40.840%0.39621%0.209SC..THydrogen-bonded Turntrans-788179.9-161.913.4000113.4R410N134-R410 PolarHBondContact O-NH2 3.49Å; N134-R410 PolarHBondContact OD1-NH1 2.88Å; N134-R410 PolarHBondContact OD1-NH2 2.86Å
135R87.9Confident84.5Confident122 Ų12240.8 Ų40.846%0.4622%0.217SC..  trans-82.1136.1-176.1-155.3175.764.31244.5111.4T131 K132 S133 G190T131-R135 WeakPolarHBondContact O-CB 3.48Å; K132-R135 VanDerWaalsContact O-CB 3.26Å; K132-R135 WeakPolarHBondContact O-CB 3.3Å; K132-R135 PolarHBondContact O-N 2.93Å; S133-R135 PolarHBondContact O-N 3.44Å; S133-R135 VanDerWaalsContact O-N 3.15Å; R135-G190 WeakPolarHBondContact CA-O 3.25Å; R135-G190 VanDerWaalsContact CG-O 3.31Å; R135-G190 WeakPolarHBondContact CG-O 3.24Å
136V94.4Very high84.6Confident0 Ų041.7 Ų41.70%022%0.221CC..EExtended strand (participates in β ladder)trans-115.4158.8173.2-50.90000110.5A189 G190 P192 V195 L355 M356 F357V136-A189 WeakPolarHBondContact O-CA 3.31Å; V136-G190 PolarHBondContact N-O 2.73Å; V136-G190 PolarHBondContact O-N 2.9Å; V136-P192 HydrophobicContact CG1-CG 3.95Å; V136-V195 HydrophobicContact CG2-CB 3.97Å; V136-V195 HydrophobicContact CG2-CG1 4.03Å; V136-V195 HydrophobicContact CG2-CG2 3.78Å; V136-L355 HydrophobicContact CB-CD1 3.84Å; V136-L355 HydrophobicContact CG1-CD1 4.45Å; V136-L355 HydrophobicContact CG2-CD1 3.91Å; V136-M356 CarbonylContact C-O 3.57Å; V136-M356 WeakPolarHBondContact CA-O 3.26Å; V136-F357 HydrophobicContact CB-CB 4.46Å; V136-F357 HydrophobicContact CG1-CB 3.97Å
137T96.3Very high85Confident33 Ų3340.3 Ų40.320%0.20222%0.215CC..EExtended strand (participates in β ladder)trans-127.2112.3170.3-58.50000109.3S187 I188 A189 M356T137-S187 WeakPolarHBondContact CG2-OG 3.2Å; T137-I188 CarbonylContact C-O 3.5Å; T137-I188 VanDerWaalsContact CA-O 3.26Å; T137-I188 WeakPolarHBondContact CA-O 3.43Å; T137-A189 HydrophobicContact CG2-CB 4.28Å; T137-M356 PolarHBondContact N-O 3.19Å; T137-M356 WeakPolarHBondContact O-CB 3.25Å; T137-M356 PolarHBondContact O-N 3.47Å
138L97.7Very high85.6Confident1 Ų139.9 Ų39.91%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-94.1145.9174.6-167.475.8000110S187 I188 V195 R199 L353 V354 L355L138-S187 CarbonylContact O-C 3.49Å; L138-S187 WeakPolarHBondContact O-CA 3.48Å; L138-I188 HydrophobicContact CB-CB 4.46Å; L138-I188 HydrophobicContact CD2-CD1 4.44Å; L138-I188 PolarHBondContact N-O 2.99Å; L138-I188 PolarHBondContact O-N 3.17Å; L138-V195 HydrophobicContact CB-CG1 3.4Å; L138-V195 VanDerWaalsContact CB-CG1 3.4Å; L138-V195 HydrophobicContact CD2-CG1 4.05Å; L138-V195 HydrophobicContact CG-CG1 4.32Å; L138-R199 HydrophobicContact CD2-CB 3.98Å; L138-R199 HydrophobicContact CD2-CG 4.06Å; L138-L353 HydrophobicContact CD1-CD1 4.17Å; L138-L353 HydrophobicContact CD1-CD2 4.08Å; L138-L353 HydrophobicContact CD1-CG 3.91Å; L138-L353 HydrophobicContact CD2-CD1 4.11Å; L138-L353 HydrophobicContact CG-CD1 4.09Å; L138-L353 HydrophobicContact CG-CG 4.39Å; L138-V354 CarbonylContact C-O 3.58Å; L138-V354 WeakPolarHBondContact CA-O 3.35Å; L138-L355 HydrophobicContact CB-CD1 4.48Å; L138-L355 HydrophobicContact CD1-CB 3.96Å; L138-L355 HydrophobicContact CD1-CD1 3.9Å
139K96.3Very high86.2Confident59 Ų5942.1 Ų42.126%0.25722%0.218SC..EExtended strand (participates in β ladder)trans-128.9130.4174.3-68.9175.9162.5-147.90110.1Q185 V186 V354 M356K139-Q185 HydrophobicContact CB-CG 4.24Å; K139-Q185 HydrophobicContact CD-CG 4.45Å; K139-Q185 HydrophobicContact CG-CG 4.46Å; K139-V186 WeakPolarHBondContact CA-O 3.34Å; K139-V354 HydrophobicContact CB-CB 4.31Å; K139-V354 PolarHBondContact N-O 3.04Å; K139-V354 PolarHBondContact O-N 3.23Å; K139-M356 HydrophobicContact CD-SD 4.19Å
140M95.4Very high86.8Confident4 Ų442 Ų422%0.0222%0.217CC..EExtended strand (participates in β ladder)trans-135.3154-176.166.1-173.1-64.800111.3V142 V186 I188 R199 I202 R203 L353M140-V142 HydrophobicContact CE-CG2 4Å; M140-V142 HydrophobicContact CG-CG2 4.24Å; M140-V142 HydrophobicContact SD-CG2 4.48Å; M140-V186 HydrophobicContact CG-CB 4.11Å; M140-V186 PolarHBondContact N-O 3.11Å; M140-V186 PolarHBondContact O-N 3.43Å; M140-I188 HydrophobicContact SD-CD1 3.9Å; M140-R199 HydrophobicContact CE-CG 4.03Å; M140-R199 HydrophobicContact SD-CG 4.07Å; M140-I202 HydrophobicContact CE-CB 4.41Å; M140-I202 HydrophobicContact CE-CG2 3.81Å; M140-I202 HydrophobicContact SD-CB 4.4Å; M140-I202 HydrophobicContact SD-CD1 4.19Å; M140-I202 HydrophobicContact SD-CG2 3.98Å; M140-R203 HydrophobicContact CE-CG 4.04Å; M140-L353 HydrophobicContact CB-CD1 3.74Å
141D92.4Very high87.8Confident13 Ų1343.8 Ų43.87%0.0723%0.226CC..EExtended strand (participates in β ladder)trans-91.2125.4175.1-151.8-100.4000111.6N184 R203D141-N184 VanDerWaalsContact CG-CB 3.43Å; D141-N184 VanDerWaalsContact OD1-CB 3.3Å; D141-N184 WeakPolarHBondContact OD1-CB 3.23Å; D141-N184 PolarHBondContact OD1-ND2 3.21Å; D141-N184 WeakPolarHBondContact OD2-CB 3.48Å; D141-R203 VanDerWaalsContact O-CZ 3.32Å; D141-R203 PolarHBondContact O-NH1 3.19Å; D141-R203 PolarHBondContact O-NH2 2.85Å
142V92.8Very high89Confident1 Ų142.7 Ų42.71%0.00622%0.224CC..  trans-135.5134.2173.3-176.10000107.5M140 H144 E146 H147 N184 V186 I202 L206M140-V142 HydrophobicContact CE-CG2 4Å; M140-V142 HydrophobicContact CG-CG2 4.24Å; M140-V142 HydrophobicContact SD-CG2 4.48Å; V142-H144 PolarHBondContact O-N 2.97Å; V142-E146 HydrophobicContact CG1-CB 4.15Å; V142-H147 PolarHBondContact O-NE2 3.08Å; V142-N184 PolarHBondContact N-O 3.24Å; V142-N184 CarbonylContact O-C 3.57Å; V142-N184 VanDerWaalsContact O-CA 3.22Å; V142-N184 WeakPolarHBondContact O-CA 3.36Å; V142-N184 WeakPolarHBondContact O-CB 3.35Å; V142-N184 VanDerWaalsContact O-CG 3.28Å; V142-V186 HydrophobicContact CB-CG2 3.9Å; V142-V186 HydrophobicContact CG2-CB 4.45Å; V142-V186 HydrophobicContact CG2-CG2 3.83Å; V142-I202 HydrophobicContact CG2-CG2 4.09Å; V142-L206 HydrophobicContact CG1-CD2 3.67Å
143S89.6Confident90.3Very high1 Ų147.3 Ų47.31%0.00724%0.244CC..  trans-58.5133-179.8176.40000110.7T145 E146 H147 D289S143-T145 PolarHBondContact O-N 3.4Å; S143-T145 PolarHBondContact OG-N 2.99Å; S143-T145 PolarHBondContact OG-OG1 3.43Å; S143-E146 PolarHBondContact N-OE2 3.02Å; S143-E146 WeakPolarHBondContact O-CA 3.41Å; S143-E146 WeakPolarHBondContact O-CB 3.5Å; S143-E146 PolarHBondContact O-N 3.41Å; S143-H147 PolarHBondContact O-CD2 3.47Å; S143-H147 PolarHBondContact O-N 2.94Å; S143-D289 PolarHBondContact OG-OD2 3.15Å
144H86.6Confident91.3Very high66 Ų6647.3 Ų47.331%0.30625%0.254SS..THydrogen-bonded Turntrans-57.7-14.9173.170.6-91.5000113.5V142 K182 N184V142-H144 PolarHBondContact O-N 2.97Å; H144-K182 HydrophobicContact CB-CB 4Å; H144-K182 HydrophobicContact CB-CD 4.45Å; H144-K182 VanDerWaalsContact CD2-CD 3.49Å; H144-K182 WeakPolarHBondContact CD2-CD 3.43Å; H144-N184 PolarHBondContact N-OD1 3.44Å; H144-N184 PolarHBondContact ND1-OD1 3.45Å
145T87.4Confident91.8Very high71 Ų7144.4 Ų44.444%0.43624%0.242SC..THydrogen-bonded Turntrans-78-25.1171.868.50000113S143 S148 H149S143-T145 PolarHBondContact O-N 3.4Å; S143-T145 PolarHBondContact OG-N 2.99Å; S143-T145 PolarHBondContact OG-OG1 3.43Å; T145-S148 PolarHBondContact O-OG 2.78Å; T145-H149 PolarHBondContact O-ND1 3.04Å
146E89.6Confident92Very high19 Ų1943.5 Ų43.59%0.08925%0.246CC..THydrogen-bonded Turntrans-92.1-22.5179.4-61.4175.5127.800112.2V142 S143 S148 H149 V150 L206 P207 R344V142-E146 HydrophobicContact CG1-CB 4.15Å; S143-E146 PolarHBondContact N-OE2 3.02Å; S143-E146 WeakPolarHBondContact O-CA 3.41Å; S143-E146 WeakPolarHBondContact O-CB 3.5Å; S143-E146 PolarHBondContact O-N 3.41Å; E146-S148 PolarHBondContact O-N 3.17Å; E146-S148 VanDerWaalsContact O-N 3.13Å; E146-H149 WeakPolarHBondContact O-CA 3.33Å; E146-H149 WeakPolarHBondContact O-CB 3.48Å; E146-H149 PolarHBondContact O-N 3.44Å; E146-V150 PolarHBondContact O-N 3.26Å; E146-V150 VanDerWaalsContact O-N 3.15Å; E146-L206 HydrophobicContact CB-CD2 3.86Å; E146-L206 HydrophobicContact CG-CD2 4.43Å; E146-P207 HydrophobicContact CG-CG 4.31Å; E146-R344 IonicContact OE1-NH2 3.05Å
147H90.8Very high92Very high14 Ų1445.7 Ų45.77%0.06526%0.258CS..Hα-helixtrans-49.3-42.9179.8-68.6-178.4000112.8V142 S143 H149 V150 I151 F171V142-H147 PolarHBondContact O-NE2 3.08Å; S143-H147 PolarHBondContact O-CD2 3.47Å; S143-H147 PolarHBondContact O-N 2.94Å; H147-H149 VanDerWaalsContact C-N 3.28Å; H147-H149 PolarHBondContact O-N 2.82Å; H147-V150 PolarHBondContact O-N 3.21Å; H147-I151 HydrophobicContact CB-CD1 4.37Å; H147-I151 VanDerWaalsContact O-CB 3.28Å; H147-I151 WeakPolarHBondContact O-CB 3.45Å; H147-I151 WeakPolarHBondContact O-CD1 3.29Å; H147-I151 WeakPolarHBondContact O-CG1 3.28Å; H147-I151 PolarHBondContact O-N 3.42Å; H147-F171 HydrophobicContact CB-CD1 3.89Å; H147-F171 HydrophobicContact CB-CE1 4.27Å; H147-F171 AromaticContact CD2-CD1 3.85Å; H147-F171 AromaticContact CG-CD1 3.58Å; H147-F171 AromaticContact ND1-CD1 3.88Å
148S90.1Very high91.9Very high75 Ų7544.5 Ų44.552%0.52425%0.25SS..Hα-helixtrans-63.7-30.2178.654.20000113.9T145 E146 G152T145-S148 PolarHBondContact O-OG 2.78Å; E146-S148 PolarHBondContact O-N 3.17Å; E146-S148 VanDerWaalsContact O-N 3.13Å; S148-G152 PolarHBondContact O-N 3.19Å
149H89.9Confident91.8Very high103 Ų10349.9 Ų49.948%0.47727%0.273SS..Hα-helixtrans-77-43.6178.1-61.180.5000110.7T145 E146 H147 G152T145-H149 PolarHBondContact O-ND1 3.04Å; E146-H149 WeakPolarHBondContact O-CA 3.33Å; E146-H149 WeakPolarHBondContact O-CB 3.48Å; E146-H149 PolarHBondContact O-N 3.44Å; H147-H149 VanDerWaalsContact C-N 3.28Å; H147-H149 PolarHBondContact O-N 2.82Å; H149-G152 PolarHBondContact O-N 3.48Å
150V93.3Very high91.7Very high0 Ų054.4 Ų54.40%029%0.289CS..Hα-helixtrans-66.4-42.7176.1-177.30000111.6E146 H147 N157 I158 F171 I202 L205 L206E146-V150 PolarHBondContact O-N 3.26Å; E146-V150 VanDerWaalsContact O-N 3.15Å; H147-V150 PolarHBondContact O-N 3.21Å; V150-N157 PolarHBondContact O-ND2 2.86Å; V150-I158 HydrophobicContact CG1-CD1 4.44Å; V150-F171 HydrophobicContact CB-CZ 4.29Å; V150-F171 HydrophobicContact CG1-CE1 4.46Å; V150-F171 HydrophobicContact CG1-CZ 3.84Å; V150-I202 HydrophobicContact CG1-CG1 4.3Å; V150-I202 HydrophobicContact CG1-CG2 4.33Å; V150-L205 HydrophobicContact CG1-CB 4.24Å; V150-L205 HydrophobicContact CG1-CD1 4.22Å; V150-L205 HydrophobicContact CG2-CB 4.34Å; V150-L206 HydrophobicContact CG2-CD2 3.58Å
151I93.2Very high91.7Very high51 Ų5154.4 Ų54.426%0.26229%0.289SS..Hα-helixtrans-63.5-44.1175.4-69.3166.6000110.6H147 G155 N157 I158 F171H147-I151 HydrophobicContact CB-CD1 4.37Å; H147-I151 VanDerWaalsContact O-CB 3.28Å; H147-I151 WeakPolarHBondContact O-CB 3.45Å; H147-I151 WeakPolarHBondContact O-CD1 3.29Å; H147-I151 WeakPolarHBondContact O-CG1 3.28Å; H147-I151 PolarHBondContact O-N 3.42Å; I151-G155 CarbonylContact O-C 3.51Å; I151-G155 VanDerWaalsContact O-C 3.28Å; I151-G155 VanDerWaalsContact O-CA 3.26Å; I151-G155 WeakPolarHBondContact O-CA 3.11Å; I151-N157 WeakPolarHBondContact O-CB 3.4Å; I151-N157 PolarHBondContact O-N 2.98Å; I151-I158 HydrophobicContact CB-CG2 4.25Å; I151-I158 HydrophobicContact CG1-CG2 4.27Å; I151-I158 HydrophobicContact CG2-CG2 4.08Å; I151-I158 PolarHBondContact O-N 3.38Å; I151-F171 HydrophobicContact CD1-CB 4.19Å; I151-F171 HydrophobicContact CD1-CD1 4.17Å; I151-F171 HydrophobicContact CD1-CD2 4.1Å; I151-F171 HydrophobicContact CD1-CG 3.87Å; I151-F171 HydrophobicContact CG1-CD1 4.41Å; I151-F171 HydrophobicContact CG1-CD2 3.97Å; I151-F171 HydrophobicContact CG1-CE1 4.45Å; I151-F171 HydrophobicContact CG1-CE2 4.05Å; I151-F171 HydrophobicContact CG1-CG 4.18Å; I151-F171 HydrophobicContact CG1-CZ 4.29Å
152G90.6Very high91.8Very high23 Ų2356.2 Ų56.224%0.23730%0.298CS..  trans72.9176.1178.800000114.2S148 H149 G154 G155S148-G152 PolarHBondContact O-N 3.19Å; H149-G152 PolarHBondContact O-N 3.48Å; G152-G154 PolarHBondContact O-N 3.26Å; G152-G155 PolarHBondContact O-N 3.2Å
153K91.7Very high91.8Very high201 Ų20163.9 Ų63.987%0.87433%0.334SS*.G310 helixtrans-57.1125.6179.7-63.3178.5-177.5175.90110.1G155 N156K153-G155 PolarHBondContact O-N 2.91Å; K153-G155 VanDerWaalsContact O-N 3.12Å; K153-N156 WeakPolarHBondContact O-CB 3.45Å; K153-N156 PolarHBondContact O-N 2.97Å; K153-N156 VanDerWaalsContact O-N 3.09Å
154G89.4Confident92Very high63 Ų6368.9 Ų68.965%0.64936%0.357SS*.G310 helixtrans64.110.1-178.600000115.7G152 N156 K159G152-G154 PolarHBondContact O-N 3.26Å; G154-N156 PolarHBondContact O-N 3.47Å; G154-N156 PolarHBondContact O-OD1 3.41Å; G154-K159 PolarHBondContact O-NZ 2.77Å
155G91.8Very high92.3Very high13 Ų1366.6 Ų66.613%0.13435%0.347CS..G310 helixtrans71.511.3-169.700000114.2I151 G152 K153 N157 I158 K159I151-G155 CarbonylContact O-C 3.51Å; I151-G155 VanDerWaalsContact O-C 3.28Å; I151-G155 VanDerWaalsContact O-CA 3.26Å; I151-G155 WeakPolarHBondContact O-CA 3.11Å; G152-G155 PolarHBondContact O-N 3.2Å; K153-G155 PolarHBondContact O-N 2.91Å; K153-G155 VanDerWaalsContact O-N 3.12Å; G155-N157 VanDerWaalsContact C-N 3.29Å; G155-N157 PolarHBondContact O-N 3.22Å; G155-I158 VanDerWaalsContact O-CG2 3.31Å; G155-I158 WeakPolarHBondContact O-CG2 3.46Å; G155-I158 PolarHBondContact O-N 2.88Å; G155-K159 WeakPolarHBondContact O-CB 3.46Å; G155-K159 WeakPolarHBondContact O-CD 3.36Å; G155-K159 WeakPolarHBondContact O-CG 3.29Å; G155-K159 PolarHBondContact O-N 2.8Å
156N93.6Very high92.4Very high102 Ų10266.4 Ų66.455%0.54536%0.36SS..Hα-helixtrans-68.8-28.3-171.1-69.21.6000113K153 G154 K159 R160K153-N156 WeakPolarHBondContact O-CB 3.45Å; K153-N156 PolarHBondContact O-N 2.97Å; K153-N156 VanDerWaalsContact O-N 3.09Å; G154-N156 PolarHBondContact O-N 3.47Å; G154-N156 PolarHBondContact O-OD1 3.41Å; N156-K159 PolarHBondContact OD1-NZ 2.91Å; N156-R160 PolarHBondContact O-N 3.27Å
157N93.9Very high92.7Very high46 Ų4665.8 Ų65.825%0.24636%0.357CS..Hα-helixtrans-70.1-51.9177.5-165.112.1000110.6V150 I151 G155 K159 R160 V161 L205V150-N157 PolarHBondContact O-ND2 2.86Å; I151-N157 WeakPolarHBondContact O-CB 3.4Å; I151-N157 PolarHBondContact O-N 2.98Å; G155-N157 VanDerWaalsContact C-N 3.29Å; G155-N157 PolarHBondContact O-N 3.22Å; N157-K159 PolarHBondContact O-N 3.22Å; N157-R160 WeakPolarHBondContact O-CB 3.44Å; N157-R160 PolarHBondContact O-N 3.05Å; N157-V161 PolarHBondContact O-N 3.37Å; N157-V161 VanDerWaalsContact O-N 3.1Å; N157-L205 WeakPolarHBondContact ND2-CD1 3.47Å; N157-L205 VanDerWaalsContact ND2-CD2 3.29Å; N157-L205 WeakPolarHBondContact ND2-CD2 3.39Å; N157-L205 WeakPolarHBondContact OD1-CD1 3.39Å
158I94.7Very high92.8Very high9 Ų970.8 Ų70.85%0.04638%0.38CS..Hα-helixtrans-67.1-33.2177.4-168.868.6000113.2V150 I151 G155 R160 V161 M162 I169 F171V150-I158 HydrophobicContact CG1-CD1 4.44Å; I151-I158 HydrophobicContact CB-CG2 4.25Å; I151-I158 HydrophobicContact CG1-CG2 4.27Å; I151-I158 HydrophobicContact CG2-CG2 4.08Å; I151-I158 PolarHBondContact O-N 3.38Å; G155-I158 VanDerWaalsContact O-CG2 3.31Å; G155-I158 WeakPolarHBondContact O-CG2 3.46Å; G155-I158 PolarHBondContact O-N 2.88Å; I158-R160 PolarHBondContact O-N 2.74Å; I158-V161 HydrophobicContact CD1-CB 4.41Å; I158-V161 PolarHBondContact O-N 3.32Å; I158-M162 HydrophobicContact CG1-CE 3.68Å; I158-M162 HydrophobicContact CG1-CG 4.48Å; I158-M162 HydrophobicContact CG2-CE 4.34Å; I158-M162 WeakPolarHBondContact O-CG 3.31Å; I158-M162 PolarHBondContact O-N 3.22Å; I158-I169 HydrophobicContact CD1-CB 4.11Å; I158-I169 HydrophobicContact CD1-CD1 3.58Å; I158-I169 HydrophobicContact CD1-CG1 4.44Å; I158-I169 HydrophobicContact CD1-CG2 3.99Å; I158-I169 HydrophobicContact CG1-CB 4.4Å; I158-I169 HydrophobicContact CG1-CD1 4.41Å; I158-F171 HydrophobicContact CD1-CE2 3.66Å; I158-F171 HydrophobicContact CD1-CZ 4.11Å; I158-F171 HydrophobicContact CG1-CE2 3.79Å
159K94.5Very high93.1Very high113 Ų11367.5 Ų67.549%0.49136%0.357SS..Hα-helixtrans-57.9-47.4172.2-75.9165.2-172.4161.80111.2G154 G155 N156 N157 V161 M162 E163G154-K159 PolarHBondContact O-NZ 2.77Å; G155-K159 WeakPolarHBondContact O-CB 3.46Å; G155-K159 WeakPolarHBondContact O-CD 3.36Å; G155-K159 WeakPolarHBondContact O-CG 3.29Å; G155-K159 PolarHBondContact O-N 2.8Å; N156-K159 PolarHBondContact OD1-NZ 2.91Å; N157-K159 PolarHBondContact O-N 3.22Å; K159-V161 PolarHBondContact O-N 3.22Å; K159-M162 PolarHBondContact O-N 2.95Å; K159-E163 WeakPolarHBondContact O-CB 3.34Å; K159-E163 PolarHBondContact O-N 3.2Å
160R94.7Very high93.2Very high154 Ų15467.3 Ų67.358%0.58136%0.356SS*.Hα-helixtrans-56.8-47.3174.4179.2-171.9-66.7-176.6-3.8111.3N156 N157 I158 M162 E163 E164N156-R160 PolarHBondContact O-N 3.27Å; N157-R160 WeakPolarHBondContact O-CB 3.44Å; N157-R160 PolarHBondContact O-N 3.05Å; I158-R160 PolarHBondContact O-N 2.74Å; R160-M162 PolarHBondContact O-N 2.81Å; R160-E163 PolarHBondContact O-N 3.18Å; R160-E164 WeakPolarHBondContact CD-OE1 3.26Å; R160-E164 HydrophobicContact CG-CG 4.06Å; R160-E164 WeakPolarHBondContact CG-OE1 3.45Å; R160-E164 WeakPolarHBondContact O-CB 3.36Å; R160-E164 VanDerWaalsContact O-CG 3.29Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 2.92Å
161V95.9Very high93.2Very high4 Ų468.7 Ų68.72%0.02436%0.362CS..Hα-helixtrans-62.1-42177.3-179.60000111.7N157 I158 K159 E163 T165 I169 A198 K201 L205N157-V161 PolarHBondContact O-N 3.37Å; N157-V161 VanDerWaalsContact O-N 3.1Å; I158-V161 HydrophobicContact CD1-CB 4.41Å; I158-V161 PolarHBondContact O-N 3.32Å; K159-V161 PolarHBondContact O-N 3.22Å; V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 2.99Å; V161-T165 HydrophobicContact CG1-CG2 4.28Å; V161-T165 WeakPolarHBondContact O-CB 3.49Å; V161-T165 VanDerWaalsContact O-CG2 3.32Å; V161-T165 WeakPolarHBondContact O-CG2 3.39Å; V161-T165 PolarHBondContact O-N 3.4Å; V161-T165 VanDerWaalsContact O-N 3.1Å; V161-T165 PolarHBondContact O-OG1 2.86Å; V161-I169 HydrophobicContact CB-CD1 4.38Å; V161-I169 HydrophobicContact CG1-CD1 3.8Å; V161-A198 HydrophobicContact CG1-CB 4.47Å; V161-K201 HydrophobicContact CG1-CB 3.96Å; V161-K201 HydrophobicContact CG1-CD 4.4Å; V161-K201 HydrophobicContact CG2-CB 4.34Å; V161-L205 HydrophobicContact CG2-CD1 3.71Å
162M94.4Very high92.8Very high51 Ų5167.6 Ų67.625%0.25136%0.359SS..Hα-helixtrans-62.2-39176.1-71.2-165.9-134.900112.5I158 K159 R160 G166 C167 I169I158-M162 HydrophobicContact CG1-CE 3.68Å; I158-M162 HydrophobicContact CG1-CG 4.48Å; I158-M162 HydrophobicContact CG2-CE 4.34Å; I158-M162 WeakPolarHBondContact O-CG 3.31Å; I158-M162 PolarHBondContact O-N 3.22Å; K159-M162 PolarHBondContact O-N 2.95Å; R160-M162 PolarHBondContact O-N 2.81Å; M162-G166 CarbonylContact O-C 3.55Å; M162-G166 WeakPolarHBondContact O-CA 3.38Å; M162-G166 PolarHBondContact O-N 2.9Å; M162-C167 VanDerWaalsContact CA-O 3.26Å; M162-C167 WeakPolarHBondContact CA-O 3.47Å; M162-C167 WeakPolarHBondContact CB-O 3.11Å; M162-C167 WeakPolarHBondContact CG-O 3.27Å; M162-C167 PolarHBondContact O-N 2.85Å; M162-C167 VanDerWaalsContact O-N 3.09Å; M162-I169 HydrophobicContact CE-CB 4.15Å; M162-I169 WeakPolarHBondContact CE-O 3.46Å; M162-I169 HydrophobicContact CG-CB 4.04Å; M162-I169 HydrophobicContact CG-CD1 3.82Å; M162-I169 HydrophobicContact CG-CG1 3.97Å; M162-I169 HydrophobicContact SD-CB 4.35Å; M162-I169 PolarHBondContact SD-N 3.48Å
163E92.9Very high91.8Very high163 Ų16371.2 Ų71.276%0.76237%0.372SS*.Hα-helixtrans-69-55178.2-177.7164.5-134.700111.6K159 R160 V161 T165 G166K159-E163 WeakPolarHBondContact O-CB 3.34Å; K159-E163 PolarHBondContact O-N 3.2Å; R160-E163 PolarHBondContact O-N 3.18Å; V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 2.99Å; E163-T165 PolarHBondContact O-N 3.45Å; E163-G166 PolarHBondContact O-N 2.8Å
164E93.3Very high90.1Very high106 Ų10664.5 Ų64.550%0.49535%0.351SS..Hα-helixtrans-61-25.2179.2-71.2174.1177.100114.1R160 K201R160-E164 WeakPolarHBondContact CD-OE1 3.26Å; R160-E164 HydrophobicContact CG-CG 4.06Å; R160-E164 WeakPolarHBondContact CG-OE1 3.45Å; R160-E164 WeakPolarHBondContact O-CB 3.36Å; R160-E164 VanDerWaalsContact O-CG 3.29Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 2.92Å; E164-K201 IonicContact OE2-NZ 3.84Å; E164-K201 PolarHBondContact OE2-NZ 3.16Å
165T93.7Very high88.5Confident17 Ų1769.4 Ų69.410%0.10436%0.362CS..Hα-helixtrans-106.7-4.7-178.863.70000113.6V161 E163 C167 A197 A198 K201V161-T165 HydrophobicContact CG1-CG2 4.28Å; V161-T165 WeakPolarHBondContact O-CB 3.49Å; V161-T165 VanDerWaalsContact O-CG2 3.32Å; V161-T165 WeakPolarHBondContact O-CG2 3.39Å; V161-T165 PolarHBondContact O-N 3.4Å; V161-T165 VanDerWaalsContact O-N 3.1Å; V161-T165 PolarHBondContact O-OG1 2.86Å; E163-T165 PolarHBondContact O-N 3.45Å; T165-C167 PolarHBondContact O-N 2.92Å; T165-C167 PolarHBondContact O-SG 2.9Å; T165-C167 WeakPolarHBondContact OG1-CB 3.29Å; T165-A197 HydrophobicContact CG2-CB 4.16Å; T165-A198 HydrophobicContact CG2-CB 4.01Å; T165-K201 HydrophobicContact CG2-CD 4.29Å
166G89.3Confident87Confident68 Ų6878.2 Ų78.270%0.70139%0.391SS*.THydrogen-bonded Turntrans59.720.3-173.300000114.5M162 E163M162-G166 CarbonylContact O-C 3.55Å; M162-G166 WeakPolarHBondContact O-CA 3.38Å; M162-G166 PolarHBondContact O-N 2.9Å; E163-G166 PolarHBondContact O-N 2.8Å
167C94.3Very high84.9Confident5 Ų580.2 Ų80.23%0.03440%0.402CS..  trans-113.2144.3-170.8-69.40000112.9M162 T165 I188 V195 A198M162-C167 VanDerWaalsContact CA-O 3.26Å; M162-C167 WeakPolarHBondContact CA-O 3.47Å; M162-C167 WeakPolarHBondContact CB-O 3.11Å; M162-C167 WeakPolarHBondContact CG-O 3.27Å; M162-C167 PolarHBondContact O-N 2.85Å; M162-C167 VanDerWaalsContact O-N 3.09Å; T165-C167 PolarHBondContact O-N 2.92Å; T165-C167 PolarHBondContact O-SG 2.9Å; T165-C167 WeakPolarHBondContact OG1-CB 3.29Å; C167-I188 HydrophobicContact CB-CG2 4.09Å; C167-V195 PolarHBondContact SG-N 3.44Å; C167-V195 VanDerWaalsContact SG-N 3.37Å; C167-A198 HydrophobicContact CB-CB 4.49Å
168H93.4Very high82.7Confident119 Ų11983.8 Ų83.855%0.55142%0.421SS*.EExtended strand (participates in β ladder)trans-92.2110.1175.4-176.1-68.1000110.2A189H168-A189 PolarHBondContact N-O 2.92Å; H168-A189 PolarHBondContact O-N 3.26Å
169I95.6Very high80.8Confident6 Ų692.1 Ų92.13%0.03146%0.46CS..EExtended strand (participates in β ladder)trans-102.9129.7-178.2-54.5158.3000109.8I158 V161 M162 F171 V186 S187 I188 A198 I202I158-I169 HydrophobicContact CD1-CB 4.11Å; I158-I169 HydrophobicContact CD1-CD1 3.58Å; I158-I169 HydrophobicContact CD1-CG1 4.44Å; I158-I169 HydrophobicContact CD1-CG2 3.99Å; I158-I169 HydrophobicContact CG1-CB 4.4Å; I158-I169 HydrophobicContact CG1-CD1 4.41Å; V161-I169 HydrophobicContact CB-CD1 4.38Å; V161-I169 HydrophobicContact CG1-CD1 3.8Å; M162-I169 HydrophobicContact CE-CB 4.15Å; M162-I169 WeakPolarHBondContact CE-O 3.46Å; M162-I169 HydrophobicContact CG-CB 4.04Å; M162-I169 HydrophobicContact CG-CD1 3.82Å; M162-I169 HydrophobicContact CG-CG1 3.97Å; M162-I169 HydrophobicContact SD-CB 4.35Å; M162-I169 PolarHBondContact SD-N 3.48Å; I169-F171 HydrophobicContact CG2-CD2 4.24Å; I169-F171 HydrophobicContact CG2-CE2 3.67Å; I169-F171 HydrophobicContact CG2-CZ 4.37Å; I169-V186 HydrophobicContact CG2-CG1 3.86Å; I169-S187 CarbonylContact C-O 3.59Å; I169-S187 WeakPolarHBondContact CA-O 3.35Å; I169-I188 HydrophobicContact CG1-CG1 4.39Å; I169-I188 HydrophobicContact CG1-CG2 4.06Å; I169-I188 HydrophobicContact CG2-CG1 4.4Å; I169-A198 HydrophobicContact CD1-CB 4.19Å; I169-I202 HydrophobicContact CD1-CD1 4.18Å; I169-I202 HydrophobicContact CG2-CD1 4.03Å
170H93.3Very high78.9Confident100 Ų10091 Ų9146%0.46347%0.472SS..EExtended strand (participates in β ladder)trans-123.1117.3-177.8-177.5-70.8000110.6S187H170-S187 PolarHBondContact N-O 3.14Å; H170-S187 PolarHBondContact O-N 3.32Å
171F92.1Very high77.3Confident28 Ų2890.9 Ų90.912%0.12348%0.478CS..  trans-89.1146.7170.9-71.2-98.4000109.9H147 V150 I151 I158 I169 V186H147-F171 HydrophobicContact CB-CD1 3.89Å; H147-F171 HydrophobicContact CB-CE1 4.27Å; H147-F171 AromaticContact CD2-CD1 3.85Å; H147-F171 AromaticContact CG-CD1 3.58Å; H147-F171 AromaticContact ND1-CD1 3.88Å; V150-F171 HydrophobicContact CB-CZ 4.29Å; V150-F171 HydrophobicContact CG1-CE1 4.46Å; V150-F171 HydrophobicContact CG1-CZ 3.84Å; I151-F171 HydrophobicContact CD1-CB 4.19Å; I151-F171 HydrophobicContact CD1-CD1 4.17Å; I151-F171 HydrophobicContact CD1-CD2 4.1Å; I151-F171 HydrophobicContact CD1-CG 3.87Å; I151-F171 HydrophobicContact CG1-CD1 4.41Å; I151-F171 HydrophobicContact CG1-CD2 3.97Å; I151-F171 HydrophobicContact CG1-CE1 4.45Å; I151-F171 HydrophobicContact CG1-CE2 4.05Å; I151-F171 HydrophobicContact CG1-CG 4.18Å; I151-F171 HydrophobicContact CG1-CZ 4.29Å; I158-F171 HydrophobicContact CD1-CE2 3.66Å; I158-F171 HydrophobicContact CD1-CZ 4.11Å; I158-F171 HydrophobicContact CG1-CE2 3.79Å; I169-F171 HydrophobicContact CG2-CD2 4.24Å; I169-F171 HydrophobicContact CG2-CE2 3.67Å; I169-F171 HydrophobicContact CG2-CZ 4.37Å; F171-V186 HydrophobicContact CD1-CG1 4.21Å; F171-V186 HydrophobicContact CD1-CG2 3.62Å; F171-V186 HydrophobicContact CD2-CG1 4.46Å; F171-V186 HydrophobicContact CE1-CB 4.47Å; F171-V186 HydrophobicContact CE1-CG1 3.98Å; F171-V186 HydrophobicContact CE1-CG2 3.57Å; F171-V186 HydrophobicContact CE2-CG1 4.2Å; F171-V186 HydrophobicContact CG-CG1 4.44Å; F171-V186 HydrophobicContact CG-CG2 4.46Å; F171-V186 HydrophobicContact CZ-CG1 3.96Å; F171-V186 HydrophobicContact CZ-CG2 4.37Å
172P85.8Confident76.1Confident29 Ų2995.4 Ų95.419%0.18850%0.497CS..  trans-69.7134-179.327.8-31.3000110.9S174 S183 Q185P172-S174 PolarHBondContact O-N 3.13Å; P172-S183 WeakPolarHBondContact CG-O 3.27Å; P172-Q185 WeakPolarHBondContact CD-O 3.5Å
173D69Low75.6Confident98 Ų9896.2 Ų96.252%0.52451%0.508SS..  trans-60.696.8-179.9-88.5-35.8000111.5N175 R176D173-N175 PolarHBondContact O-N 2.97Å; D173-R176 HydrophobicContact CB-CB 3.52Å; D173-R176 PolarHBondContact O-N 3.44Å
174S57.5Low75.4Confident60 Ų6089 Ų8942%0.4248%0.475SS..THydrogen-bonded Turntrans-60.7-4.5176.6176.50000114.5P172 K182P172-S174 PolarHBondContact O-N 3.13Å; S174-K182 WeakPolarHBondContact OG-CD 3.48Å; S174-K182 WeakPolarHBondContact OG-CE 3.22Å; S174-K182 PolarHBondContact OG-NZ 2.88Å
175N54.7Low75.2Confident167 Ų16788 Ų8889%0.89347%0.47SS*.THydrogen-bonded Turntrans-108.5-3.1176.9-73.6-15.9000113.6D173D173-N175 PolarHBondContact O-N 2.97Å
176R59.7Low75.3Confident198 Ų19887.2 Ų87.275%0.74747%0.465SS*.SBendtrans-108.694-170.9-167.6172.3-178.4172-0.8112D173D173-R176 HydrophobicContact CB-CB 3.52Å; D173-R176 PolarHBondContact O-N 3.44Å
177N50.7Low75.6Confident143 Ų14385.2 Ų85.277%0.76544%0.44SS*.SBendtrans79.4140.1179.1-160.918000115.5
178N48.1Very low75.8Confident121 Ų12185 Ų8565%0.64744%0.439SS*.  trans38.5120176.5-93.9-24.7000119.9A180N178-A180 PolarHBondContact O-N 2.96Å; N178-A180 VanDerWaalsContact O-N 3.12Å
179Q53.6Low75.8Confident184 Ų18480 Ų8086%0.8642%0.418SS*.THydrogen-bonded Turntrans-66.2-9.4170.3-70.3179.8-2500114.5
180A54.6Low75.7Confident91 Ų9180 Ų8075%0.75242%0.42SS*.THydrogen-bonded Turntrans-75.2-36.1-17100000114.1N178N178-A180 PolarHBondContact O-N 2.96Å; N178-A180 VanDerWaalsContact O-N 3.12Å
181E61.6Low75.6Confident150 Ų15080.3 Ų80.370%0.70142%0.421SS*.  trans-153.1105.6-173.4-158.2156-130.300111.3
182K71.4Confident75.6Confident100 Ų10080.2 Ų80.244%0.43542%0.424SS..  trans-80.6125.9174.5-66.2-180176.4-1590108.9H144 S174H144-K182 HydrophobicContact CB-CB 4Å; H144-K182 HydrophobicContact CB-CD 4.45Å; H144-K182 VanDerWaalsContact CD2-CD 3.49Å; H144-K182 WeakPolarHBondContact CD2-CD 3.43Å; S174-K182 WeakPolarHBondContact OG-CD 3.48Å; S174-K182 WeakPolarHBondContact OG-CE 3.22Å; S174-K182 PolarHBondContact OG-NZ 2.88Å
183S82.3Confident75.9Confident68 Ų6882.6 Ų82.648%0.47645%0.446SS..  trans-66.2137.9177.9-1690000111.5P172 Q185P172-S183 WeakPolarHBondContact CG-O 3.27Å; S183-Q185 PolarHBondContact OG-N 3.29Å
184N89Confident77.1Confident11 Ų1178.5 Ų78.56%0.05943%0.427CS..  trans-88.2-6.9171.4-816.5000113.1D141 V142 H144 V186D141-N184 VanDerWaalsContact CG-CB 3.43Å; D141-N184 VanDerWaalsContact OD1-CB 3.3Å; D141-N184 WeakPolarHBondContact OD1-CB 3.23Å; D141-N184 PolarHBondContact OD1-ND2 3.21Å; D141-N184 WeakPolarHBondContact OD2-CB 3.48Å; V142-N184 PolarHBondContact N-O 3.24Å; V142-N184 CarbonylContact O-C 3.57Å; V142-N184 VanDerWaalsContact O-CA 3.22Å; V142-N184 WeakPolarHBondContact O-CA 3.36Å; V142-N184 WeakPolarHBondContact O-CB 3.35Å; V142-N184 VanDerWaalsContact O-CG 3.28Å; H144-N184 PolarHBondContact N-OD1 3.44Å; H144-N184 PolarHBondContact ND1-OD1 3.45Å; N184-V186 PolarHBondContact O-N 2.98Å; N184-V186 VanDerWaalsContact O-N 3.16Å
185Q90.4Very high79Confident86 Ų8675.7 Ų75.740%0.40241%0.407SS..EExtended strand (participates in β ladder)trans-75.7106.1-169.7-177.6170.1109.100112.6K139 P172 S183K139-Q185 HydrophobicContact CB-CG 4.24Å; K139-Q185 HydrophobicContact CD-CG 4.45Å; K139-Q185 HydrophobicContact CG-CG 4.46Å; P172-Q185 WeakPolarHBondContact CD-O 3.5Å; S183-Q185 PolarHBondContact OG-N 3.29Å
186V94.9Very high80.9Confident0 Ų069.7 Ų69.70%037%0.374CS..EExtended strand (participates in β ladder)trans-88.9140.1170.5-175.90000109.3K139 M140 V142 I169 F171 N184 I202K139-V186 WeakPolarHBondContact CA-O 3.34Å; M140-V186 HydrophobicContact CG-CB 4.11Å; M140-V186 PolarHBondContact N-O 3.11Å; M140-V186 PolarHBondContact O-N 3.43Å; V142-V186 HydrophobicContact CB-CG2 3.9Å; V142-V186 HydrophobicContact CG2-CB 4.45Å; V142-V186 HydrophobicContact CG2-CG2 3.83Å; I169-V186 HydrophobicContact CG2-CG1 3.86Å; F171-V186 HydrophobicContact CD1-CG1 4.21Å; F171-V186 HydrophobicContact CD1-CG2 3.62Å; F171-V186 HydrophobicContact CD2-CG1 4.46Å; F171-V186 HydrophobicContact CE1-CB 4.47Å; F171-V186 HydrophobicContact CE1-CG1 3.98Å; F171-V186 HydrophobicContact CE1-CG2 3.57Å; F171-V186 HydrophobicContact CE2-CG1 4.2Å; F171-V186 HydrophobicContact CG-CG1 4.44Å; F171-V186 HydrophobicContact CG-CG2 4.46Å; F171-V186 HydrophobicContact CZ-CG1 3.96Å; F171-V186 HydrophobicContact CZ-CG2 4.37Å; N184-V186 PolarHBondContact O-N 2.98Å; N184-V186 VanDerWaalsContact O-N 3.16Å; V186-I202 HydrophobicContact CG1-CD1 4.49Å
187S95.9Very high82.7Confident25 Ų2562.2 Ų62.218%0.17536%0.355CS..EExtended strand (participates in β ladder)trans-119.2131.2179.4-157.60000110.9T137 L138 I169 H170T137-S187 WeakPolarHBondContact CG2-OG 3.2Å; L138-S187 CarbonylContact O-C 3.49Å; L138-S187 WeakPolarHBondContact O-CA 3.48Å; I169-S187 CarbonylContact C-O 3.59Å; I169-S187 WeakPolarHBondContact CA-O 3.35Å; H170-S187 PolarHBondContact N-O 3.14Å; H170-S187 PolarHBondContact O-N 3.32Å
188I97.5Very high84.9Confident0 Ų055.4 Ų55.40%032%0.318CS..EExtended strand (participates in β ladder)trans-118.9123.9179.8-49.5175.3000107.7T137 L138 M140 C167 I169 V195 A198 R199 I202T137-I188 CarbonylContact C-O 3.5Å; T137-I188 VanDerWaalsContact CA-O 3.26Å; T137-I188 WeakPolarHBondContact CA-O 3.43Å; L138-I188 HydrophobicContact CB-CB 4.46Å; L138-I188 HydrophobicContact CD2-CD1 4.44Å; L138-I188 PolarHBondContact N-O 2.99Å; L138-I188 PolarHBondContact O-N 3.17Å; M140-I188 HydrophobicContact SD-CD1 3.9Å; C167-I188 HydrophobicContact CB-CG2 4.09Å; I169-I188 HydrophobicContact CG1-CG1 4.39Å; I169-I188 HydrophobicContact CG1-CG2 4.06Å; I169-I188 HydrophobicContact CG2-CG1 4.4Å; I188-V195 HydrophobicContact CB-CG1 4.2Å; I188-V195 HydrophobicContact CG2-CB 4.2Å; I188-V195 HydrophobicContact CG2-CG1 3.93Å; I188-V195 HydrophobicContact CG2-CG2 4.04Å; I188-A198 HydrophobicContact CD1-CB 4.21Å; I188-A198 HydrophobicContact CG2-CB 3.76Å; I188-R199 HydrophobicContact CD1-CB 4.18Å; I188-I202 HydrophobicContact CD1-CD1 3.64Å; I188-I202 HydrophobicContact CG1-CD1 4Å
189A94.8Very high87.2Confident14 Ų1451.3 Ų51.312%0.11629%0.294CS..EExtended strand (participates in β ladder)trans-126.9127.2179.300000112.5V136 T137 H168V136-A189 WeakPolarHBondContact O-CA 3.31Å; T137-A189 HydrophobicContact CG2-CB 4.28Å; H168-A189 PolarHBondContact N-O 2.92Å; H168-A189 PolarHBondContact O-N 3.26Å
190G92.6Very high89.1Confident7 Ų745 Ų457%0.07227%0.268CS..EExtended strand (participates in β ladder)trans172.2-156.9-174.200000113.1R135 V136R135-G190 WeakPolarHBondContact CA-O 3.25Å; R135-G190 VanDerWaalsContact CG-O 3.31Å; R135-G190 WeakPolarHBondContact CG-O 3.24Å; V136-G190 PolarHBondContact N-O 2.73Å; V136-G190 PolarHBondContact O-N 2.9Å
191Q91Very high91.1Very high106 Ų10643.8 Ų43.850%0.49525%0.245SC..  trans-75.3150.7173.8-61.4-17613.200110.9A193 G194 V195Q191-A193 PolarHBondContact O-N 2.97Å; Q191-G194 PolarHBondContact O-N 3.01Å; Q191-V195 WeakPolarHBondContact O-CB 3.17Å; Q191-V195 VanDerWaalsContact O-CG2 3.26Å; Q191-V195 WeakPolarHBondContact O-CG2 3.49Å; Q191-V195 PolarHBondContact O-N 2.93Å
192P92.2Very high92.7Very high27 Ų2736.7 Ų36.718%0.17521%0.212CC..Hα-helixtrans-51.5-50-174.8-26.332.1000114.5V136 V195 E196 Y407V136-P192 HydrophobicContact CG1-CG 3.95Å; P192-V195 PolarHBondContact O-N 2.85Å; P192-E196 PolarHBondContact O-N 3.49Å; P192-E196 VanDerWaalsContact O-N 3.07Å; P192-Y407 HydrophobicContact CB-CD1 4.28Å; P192-Y407 HydrophobicContact CB-CE1 4.31Å
193A92.6Very high93.8Very high78 Ų7833 Ų3365%0.64520%0.195SC*.Hα-helixtrans-65.5-42.6-179.600000112.8Q191 E196 A197Q191-A193 PolarHBondContact O-N 2.97Å; A193-E196 PolarHBondContact O-N 3.12Å; A193-A197 WeakPolarHBondContact O-CB 3.31Å; A193-A197 PolarHBondContact O-N 2.87Å
194G94.1Very high94.3Very high13 Ų1333 Ų3313%0.13419%0.188CC..Hα-helixtrans-65.5-37.6175.900000112.6Q191 A197 A198Q191-G194 PolarHBondContact O-N 3.01Å; G194-A197 PolarHBondContact O-N 3.1Å; G194-A198 VanDerWaalsContact O-CB 3.29Å; G194-A198 WeakPolarHBondContact O-CB 3.25Å; G194-A198 PolarHBondContact O-N 3.06Å
195V96.5Very high94.5Very high0 Ų034.3 Ų34.30%020%0.195CC..Hα-helixtrans-66.6-38.9178.5168.10000111.1V136 L138 C167 I188 Q191 P192 A198 R199V136-V195 HydrophobicContact CG2-CB 3.97Å; V136-V195 HydrophobicContact CG2-CG1 4.03Å; V136-V195 HydrophobicContact CG2-CG2 3.78Å; L138-V195 HydrophobicContact CB-CG1 3.4Å; L138-V195 VanDerWaalsContact CB-CG1 3.4Å; L138-V195 HydrophobicContact CD2-CG1 4.05Å; L138-V195 HydrophobicContact CG-CG1 4.32Å; C167-V195 PolarHBondContact SG-N 3.44Å; C167-V195 VanDerWaalsContact SG-N 3.37Å; I188-V195 HydrophobicContact CB-CG1 4.2Å; I188-V195 HydrophobicContact CG2-CB 4.2Å; I188-V195 HydrophobicContact CG2-CG1 3.93Å; I188-V195 HydrophobicContact CG2-CG2 4.04Å; Q191-V195 WeakPolarHBondContact O-CB 3.17Å; Q191-V195 VanDerWaalsContact O-CG2 3.26Å; Q191-V195 WeakPolarHBondContact O-CG2 3.49Å; Q191-V195 PolarHBondContact O-N 2.93Å; P192-V195 PolarHBondContact O-N 2.85Å; V195-A198 PolarHBondContact O-N 3.31Å; V195-R199 PolarHBondContact O-N 2.91Å
196E95.7Very high94.6Very high41 Ų4130.3 Ų30.319%0.19218%0.176CC..Hα-helixtrans-71.8-42.3175.3-17754.6-166.300112P192 A193 A198 R199 V200 Y407P192-E196 PolarHBondContact O-N 3.49Å; P192-E196 VanDerWaalsContact O-N 3.07Å; A193-E196 PolarHBondContact O-N 3.12Å; E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 2.78Å; E196-R199 VanDerWaalsContact CD-NE 3.3Å; E196-R199 WeakPolarHBondContact O-CB 3.48Å; E196-R199 PolarHBondContact O-N 2.86Å; E196-R199 VanDerWaalsContact O-N 3.11Å; E196-R199 IonicContact OE1-CZ 2.72Å; E196-R199 VanDerWaalsContact OE1-CZ 3.24Å; E196-R199 IonicContact OE1-NE 2.73Å; E196-R199 PolarHBondContact OE1-NE 2.82Å; E196-R199 IonicContact OE1-NH2 3.79Å; E196-R199 PolarHBondContact OE1-NH2 3.39Å; E196-R199 WeakPolarHBondContact OE2-CD 3.34Å; E196-R199 IonicContact OE2-CZ 2.68Å; E196-R199 IonicContact OE2-NE 2.71Å; E196-R199 PolarHBondContact OE2-NE 3.24Å; E196-V200 PolarHBondContact O-N 3.43Å; E196-Y407 HydrophobicContact CB-CE2 4.01Å; E196-Y407 HydrophobicContact CG-CE2 4.07Å; E196-Y407 WeakPolarHBondContact OE2-CE2 3.49Å; E196-Y407 PolarHBondContact OE2-OH 3.21Å
197A96.2Very high94.5Very high42 Ų4231.7 Ų31.735%0.34719%0.185SC..Hα-helixtrans-59.1-37.3171.900000112.2T165 A193 G194 K201T165-A197 HydrophobicContact CG2-CB 4.16Å; A193-A197 WeakPolarHBondContact O-CB 3.31Å; A193-A197 PolarHBondContact O-N 2.87Å; G194-A197 PolarHBondContact O-N 3.1Å; A197-K201 WeakPolarHBondContact O-CB 3.47Å; A197-K201 WeakPolarHBondContact O-CG 3.37Å; A197-K201 PolarHBondContact O-N 3.01Å
198A97.2Very high94.3Very high0 Ų030.5 Ų30.50%018%0.177CC..Hα-helixtrans-67.8-38.7173.800000112.5V161 T165 C167 I169 I188 G194 V195 E196 I202V161-A198 HydrophobicContact CG1-CB 4.47Å; T165-A198 HydrophobicContact CG2-CB 4.01Å; C167-A198 HydrophobicContact CB-CB 4.49Å; I169-A198 HydrophobicContact CD1-CB 4.19Å; I188-A198 HydrophobicContact CD1-CB 4.21Å; I188-A198 HydrophobicContact CG2-CB 3.76Å; G194-A198 VanDerWaalsContact O-CB 3.29Å; G194-A198 WeakPolarHBondContact O-CB 3.25Å; G194-A198 PolarHBondContact O-N 3.06Å; V195-A198 PolarHBondContact O-N 3.31Å; E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 2.78Å; A198-I202 WeakPolarHBondContact O-CB 3.46Å; A198-I202 WeakPolarHBondContact O-CD1 3.1Å; A198-I202 WeakPolarHBondContact O-CG1 3.37Å; A198-I202 PolarHBondContact O-N 3.12Å
199R96.3Very high94.1Very high35 Ų3531.5 Ų31.513%0.13218%0.183CC..Hα-helixtrans-58.4-48.6173.6-173.3-163.765.576.6-1.3110.7L138 M140 I188 V195 E196 I202 R203 E400L138-R199 HydrophobicContact CD2-CB 3.98Å; L138-R199 HydrophobicContact CD2-CG 4.06Å; M140-R199 HydrophobicContact CE-CG 4.03Å; M140-R199 HydrophobicContact SD-CG 4.07Å; I188-R199 HydrophobicContact CD1-CB 4.18Å; V195-R199 PolarHBondContact O-N 2.91Å; E196-R199 VanDerWaalsContact CD-NE 3.3Å; E196-R199 WeakPolarHBondContact O-CB 3.48Å; E196-R199 PolarHBondContact O-N 2.86Å; E196-R199 VanDerWaalsContact O-N 3.11Å; E196-R199 IonicContact OE1-CZ 2.72Å; E196-R199 VanDerWaalsContact OE1-CZ 3.24Å; E196-R199 IonicContact OE1-NE 2.73Å; E196-R199 PolarHBondContact OE1-NE 2.82Å; E196-R199 IonicContact OE1-NH2 3.79Å; E196-R199 PolarHBondContact OE1-NH2 3.39Å; E196-R199 WeakPolarHBondContact OE2-CD 3.34Å; E196-R199 IonicContact OE2-CZ 2.68Å; E196-R199 IonicContact OE2-NE 2.71Å; E196-R199 PolarHBondContact OE2-NE 3.24Å; R199-I202 PolarHBondContact O-N 2.95Å; R199-R203 PolarHBondContact O-N 2.89Å; R199-R203 VanDerWaalsContact O-N 3.16Å; R199-E400 IonicContact CZ-OE1 3.49Å; R199-E400 IonicContact NH1-OE1 3.04Å; R199-E400 PolarHBondContact NH1-OE1 3.22Å
200V95.3Very high94.1Very high52 Ų5230.9 Ų30.932%0.31518%0.177SC..Hα-helixtrans-61.5-52.5178.5175.10000110.8E196 I202 R203 E204E196-V200 PolarHBondContact O-N 3.43Å; V200-I202 VanDerWaalsContact C-N 3.3Å; V200-I202 PolarHBondContact O-N 3.41Å; V200-R203 WeakPolarHBondContact O-CA 3.39Å; V200-R203 WeakPolarHBondContact O-CB 3.48Å; V200-R203 PolarHBondContact O-N 3.01Å; V200-E204 HydrophobicContact CG1-CG 4.39Å; V200-E204 WeakPolarHBondContact CG1-OE1 3.45Å; V200-E204 WeakPolarHBondContact O-CG 3.39Å; V200-E204 PolarHBondContact O-N 3.41Å
201K95.3Very high94.1Very high65 Ų6531.5 Ų31.528%0.28318%0.181SC..Hα-helixtrans-59-37.1177.9-75.1-177.4174-175.70113.4V161 E164 T165 A197 R203 E204 L205V161-K201 HydrophobicContact CG1-CB 3.96Å; V161-K201 HydrophobicContact CG1-CD 4.4Å; V161-K201 HydrophobicContact CG2-CB 4.34Å; E164-K201 IonicContact OE2-NZ 3.84Å; E164-K201 PolarHBondContact OE2-NZ 3.16Å; T165-K201 HydrophobicContact CG2-CD 4.29Å; A197-K201 WeakPolarHBondContact O-CB 3.47Å; A197-K201 WeakPolarHBondContact O-CG 3.37Å; A197-K201 PolarHBondContact O-N 3.01Å; K201-R203 VanDerWaalsContact C-N 3.33Å; K201-R203 PolarHBondContact O-N 3.07Å; K201-E204 WeakPolarHBondContact CA-OE2 3.31Å; K201-E204 PolarHBondContact O-N 2.83Å; K201-L205 WeakPolarHBondContact O-CB 3.5Å; K201-L205 VanDerWaalsContact O-CG 3.28Å; K201-L205 WeakPolarHBondContact O-CG 3.41Å; K201-L205 PolarHBondContact O-N 3.07Å
202I95.6Very high94.1Very high0 Ų026.6 Ų26.60%016%0.158CC..Hα-helixtrans-62.1-39.9173.3-74.5164000111.3M140 V142 V150 I169 V186 I188 A198 R199 V200 L206M140-I202 HydrophobicContact CE-CB 4.41Å; M140-I202 HydrophobicContact CE-CG2 3.81Å; M140-I202 HydrophobicContact SD-CB 4.4Å; M140-I202 HydrophobicContact SD-CD1 4.19Å; M140-I202 HydrophobicContact SD-CG2 3.98Å; V142-I202 HydrophobicContact CG2-CG2 4.09Å; V150-I202 HydrophobicContact CG1-CG1 4.3Å; V150-I202 HydrophobicContact CG1-CG2 4.33Å; I169-I202 HydrophobicContact CD1-CD1 4.18Å; I169-I202 HydrophobicContact CG2-CD1 4.03Å; V186-I202 HydrophobicContact CG1-CD1 4.49Å; I188-I202 HydrophobicContact CD1-CD1 3.64Å; I188-I202 HydrophobicContact CG1-CD1 4Å; A198-I202 WeakPolarHBondContact O-CB 3.46Å; A198-I202 WeakPolarHBondContact O-CD1 3.1Å; A198-I202 WeakPolarHBondContact O-CG1 3.37Å; A198-I202 PolarHBondContact O-N 3.12Å; R199-I202 PolarHBondContact O-N 2.95Å; V200-I202 VanDerWaalsContact C-N 3.3Å; V200-I202 PolarHBondContact O-N 3.41Å; I202-L206 WeakPolarHBondContact O-CG 3.36Å
203R94.3Very high93.9Very high23 Ų2329.6 Ų29.69%0.08717%0.17CC..Hα-helixtrans-70.2-37.2176.7-68.6-56.7-166.6-158.4-4.5112.7M140 D141 R199 V200 K201 L205 L206 Q257 E400M140-R203 HydrophobicContact CE-CG 4.04Å; D141-R203 VanDerWaalsContact O-CZ 3.32Å; D141-R203 PolarHBondContact O-NH1 3.19Å; D141-R203 PolarHBondContact O-NH2 2.85Å; R199-R203 PolarHBondContact O-N 2.89Å; R199-R203 VanDerWaalsContact O-N 3.16Å; V200-R203 WeakPolarHBondContact O-CA 3.39Å; V200-R203 WeakPolarHBondContact O-CB 3.48Å; V200-R203 PolarHBondContact O-N 3.01Å; K201-R203 VanDerWaalsContact C-N 3.33Å; K201-R203 PolarHBondContact O-N 3.07Å; R203-L205 VanDerWaalsContact C-N 3.33Å; R203-L206 WeakPolarHBondContact O-CB 3.45Å; R203-L206 PolarHBondContact O-N 3.29Å; R203-Q257 WeakPolarHBondContact O-CB 3.37Å; R203-Q257 WeakPolarHBondContact O-CG 3.15Å; R203-E400 WeakPolarHBondContact CG-OE1 3.08Å; R203-E400 IonicContact CZ-OE1 2.7Å; R203-E400 IonicContact CZ-OE2 3.21Å; R203-E400 IonicContact NE-OE1 3.18Å; R203-E400 PolarHBondContact NE-OE1 3.04Å; R203-E400 IonicContact NE-OE2 2.64Å; R203-E400 PolarHBondContact NE-OE2 3.04Å; R203-E400 IonicContact NH2-OE1 2.61Å; R203-E400 IonicContact NH2-OE2 2.8Å; R203-E400 PolarHBondContact NH2-OE2 2.8Å
204E93.6Very high93.4Very high67 Ų6725.9 Ų25.931%0.31314%0.139SC..Hα-helixtrans-65.2-34.5175-69.5166.8166.800112.7V200 K201 L206 S256 Q257 N258V200-E204 HydrophobicContact CG1-CG 4.39Å; V200-E204 WeakPolarHBondContact CG1-OE1 3.45Å; V200-E204 WeakPolarHBondContact O-CG 3.39Å; V200-E204 PolarHBondContact O-N 3.41Å; K201-E204 WeakPolarHBondContact CA-OE2 3.31Å; K201-E204 PolarHBondContact O-N 2.83Å; E204-L206 PolarHBondContact O-N 2.9Å; E204-S256 PolarHBondContact O-OG 3.28Å; E204-S256 VanDerWaalsContact O-OG 3.05Å; E204-Q257 CarbonylContact O-C 3.47Å; E204-Q257 PolarHBondContact O-N 2.8Å; E204-N258 HydrophobicContact CB-CB 4.07Å; E204-N258 PolarHBondContact O-N 2.95Å
205L93.3Very high92.6Very high40 Ų4028.1 Ų28.121%0.20915%0.151CC..THydrogen-bonded Turntrans-74.9-5.9176.7-72179.8000114.6V150 N157 V161 K201 R203V150-L205 HydrophobicContact CG1-CB 4.24Å; V150-L205 HydrophobicContact CG1-CD1 4.22Å; V150-L205 HydrophobicContact CG2-CB 4.34Å; N157-L205 WeakPolarHBondContact ND2-CD1 3.47Å; N157-L205 VanDerWaalsContact ND2-CD2 3.29Å; N157-L205 WeakPolarHBondContact ND2-CD2 3.39Å; N157-L205 WeakPolarHBondContact OD1-CD1 3.39Å; V161-L205 HydrophobicContact CG2-CD1 3.71Å; K201-L205 WeakPolarHBondContact O-CB 3.5Å; K201-L205 VanDerWaalsContact O-CG 3.28Å; K201-L205 WeakPolarHBondContact O-CG 3.41Å; K201-L205 PolarHBondContact O-N 3.07Å; R203-L205 VanDerWaalsContact C-N 3.33Å
206L92.9Very high91Very high1 Ų130.4 Ų30.41%0.00517%0.17CC..SBendtrans-70.4145.9175.6-61.4175.4000111.2V142 E146 V150 I202 R203 E204 Q257 M348V142-L206 HydrophobicContact CG1-CD2 3.67Å; E146-L206 HydrophobicContact CB-CD2 3.86Å; E146-L206 HydrophobicContact CG-CD2 4.43Å; V150-L206 HydrophobicContact CG2-CD2 3.58Å; I202-L206 WeakPolarHBondContact O-CG 3.36Å; R203-L206 WeakPolarHBondContact O-CB 3.45Å; R203-L206 PolarHBondContact O-N 3.29Å; E204-L206 PolarHBondContact O-N 2.9Å; L206-Q257 VanDerWaalsContact O-CB 3.29Å; L206-Q257 WeakPolarHBondContact O-CB 3.5Å; L206-Q257 PolarHBondContact O-N 3.21Å; L206-M348 HydrophobicContact CD1-CE 3.69Å
207P92Very high89.1Confident29 Ų2936.3 Ų36.319%0.18820%0.201CC..EExtended strand (participates in β ladder)trans-67.8141.4171.829.5-33.7000110.5E146 V209 R344E146-P207 HydrophobicContact CG-CG 4.31Å; P207-V209 HydrophobicContact CB-CG2 4.4Å; P207-R344 PolarHBondContact O-NH2 3.31Å
208L92.7Very high87.4Confident1 Ų138 Ų381%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-107.9119.2165.2179.157.6000107.7L210 R254 G255 V260 V263L208-L210 HydrophobicContact CD1-CD2 4.26Å; L208-R254 WeakPolarHBondContact O-CA 3.29Å; L208-G255 PolarHBondContact N-O 3.27Å; L208-G255 PolarHBondContact O-N 3.03Å; L208-V260 HydrophobicContact CD2-CB 4.49Å; L208-V260 HydrophobicContact CD2-CG1 4.03Å; L208-V260 HydrophobicContact CD2-CG2 4.44Å; L208-V263 HydrophobicContact CD2-CB 4Å; L208-V263 HydrophobicContact CD2-CG1 3.82Å; L208-V263 HydrophobicContact CD2-CG2 4.23Å; L208-V263 HydrophobicContact CG-CG1 4.15Å
209V92.8Very high85.4Confident21 Ų2147.4 Ų47.413%0.12725%0.247CC..EExtended strand (participates in β ladder)trans-121.4105.6-176.5-177.40000109.8P207 V252 I253 R254 T286P207-V209 HydrophobicContact CB-CG2 4.4Å; V209-V252 HydrophobicContact CG1-CG1 3.73Å; V209-I253 CarbonylContact C-O 3.6Å; V209-I253 WeakPolarHBondContact CA-O 3.48Å; V209-R254 HydrophobicContact CG1-CG 4.28Å; V209-R254 HydrophobicContact CG2-CB 4.36Å; V209-R254 HydrophobicContact CG2-CG 4.08Å; V209-T286 WeakPolarHBondContact O-CB 2.99Å; V209-T286 PolarHBondContact O-OG1 3.16Å
210L94.4Very high83.7Confident0 Ų046.9 Ų46.90%025%0.248CC..EExtended strand (participates in β ladder)trans-95.6146.7171.8-57.7-174.5000109L208 I253 V263 T267 I284 V340L208-L210 HydrophobicContact CD1-CD2 4.26Å; L210-I253 PolarHBondContact N-O 3.18Å; L210-I253 PolarHBondContact O-N 3.04Å; L210-I253 VanDerWaalsContact O-O 3.09Å; L210-V263 HydrophobicContact CD1-CG1 3.92Å; L210-V263 HydrophobicContact CG-CG1 4.25Å; L210-T267 HydrophobicContact CD1-CG2 4.16Å; L210-I284 HydrophobicContact CB-CG2 3.92Å; L210-I284 HydrophobicContact CD1-CG2 4.42Å; L210-I284 HydrophobicContact CD2-CG2 4.23Å; L210-I284 HydrophobicContact CG-CG2 4.41Å; L210-V340 HydrophobicContact CD2-CG1 4.17Å
211S92.7Very high82.3Confident21 Ų2148.2 Ų48.215%0.14725%0.254CS..EExtended strand (participates in β ladder)trans-141.3151.1175.454.20000110.6G251 I284 T285S211-G251 CarbonylContact C-O 3.56Å; S211-G251 WeakPolarHBondContact CA-O 3.48Å; S211-G251 WeakPolarHBondContact CB-O 3.32Å; S211-I284 CarbonylContact O-C 3.5Å; S211-I284 WeakPolarHBondContact O-CA 3.15Å; S211-T285 PolarHBondContact N-O 3.03Å; S211-T285 PolarHBondContact O-N 2.79Å; S211-T285 PolarHBondContact OG-O 3.04Å
212F91Very high80.8Confident3 Ų348.4 Ų48.41%0.01326%0.261CS..EExtended strand (participates in β ladder)trans-149.1157.8-175.163-82.4000109.7L214 F240 T250 G251 I253 L270 L271 L274 I282 I284F212-L214 HydrophobicContact CD2-CD2 4.15Å; F212-L214 HydrophobicContact CD2-CG 4.02Å; F212-L214 HydrophobicContact CE2-CD1 3.93Å; F212-L214 HydrophobicContact CE2-CD2 3.96Å; F212-L214 HydrophobicContact CE2-CG 3.74Å; F212-F240 HydrophobicContact CE2-CE1 4.45Å; F212-F240 AromaticContact CZ-CE1 3.95Å; F212-F240 HydrophobicContact CZ-CE1 3.95Å; F212-T250 CarbonylContact O-C 3.52Å; F212-T250 WeakPolarHBondContact O-CA 3.42Å; F212-G251 PolarHBondContact N-O 2.8Å; F212-G251 PolarHBondContact O-N 3.28Å; F212-I253 HydrophobicContact CD1-CD1 4.21Å; F212-I253 HydrophobicContact CD1-CG1 4.45Å; F212-I253 HydrophobicContact CE1-CD1 3.78Å; F212-I253 HydrophobicContact CE1-CG1 3.89Å; F212-L270 HydrophobicContact CE1-CD2 4.23Å; F212-L270 HydrophobicContact CZ-CD2 4.17Å; F212-L271 HydrophobicContact CB-CD2 4.25Å; F212-L271 HydrophobicContact CD1-CD2 4.5Å; F212-L271 HydrophobicContact CD2-CD2 3.49Å; F212-L271 VanDerWaalsContact CD2-CD2 3.49Å; F212-L271 HydrophobicContact CE2-CD2 3.84Å; F212-L271 HydrophobicContact CG-CD2 3.85Å; F212-L271 HydrophobicContact CZ-CD2 4.49Å; F212-L274 HydrophobicContact CE2-CD1 4.17Å; F212-L274 HydrophobicContact CZ-CD1 3.93Å; F212-I282 HydrophobicContact CB-CG2 3.87Å; F212-I282 HydrophobicContact CD2-CG2 4.34Å; F212-I284 HydrophobicContact CB-CD1 3.91Å
213E87.8Confident79.5Confident90 Ų9051.5 Ų51.542%0.42128%0.283SS..EExtended strand (participates in β ladder)trans-116.7120.7-177.3-61.1-169.2158.800111R248 T250E213-R248 VanDerWaalsContact OE2-CD 3.24Å; E213-R248 WeakPolarHBondContact OE2-CD 3.46Å; E213-R248 IonicContact OE2-CZ 3.58Å; E213-R248 IonicContact OE2-NE 3.77Å; E213-R248 IonicContact OE2-NH1 2.69Å; E213-R248 PolarHBondContact OE2-NH1 3.44Å; E213-T250 HydrophobicContact CG-CG2 4.46Å
214L82.8Confident79Confident0 Ų051.7 Ų51.70%029%0.288CS..EExtended strand (participates in β ladder)trans-95.9140.1174.3-66.3174.8000110.4F212 A216 F240 R248 A249 L274 A275 I282F212-L214 HydrophobicContact CD2-CD2 4.15Å; F212-L214 HydrophobicContact CD2-CG 4.02Å; F212-L214 HydrophobicContact CE2-CD1 3.93Å; F212-L214 HydrophobicContact CE2-CD2 3.96Å; F212-L214 HydrophobicContact CE2-CG 3.74Å; L214-A216 PolarHBondContact O-N 2.83Å; L214-F240 HydrophobicContact CD1-CE1 4.34Å; L214-R248 CarbonylContact O-C 3.53Å; L214-R248 VanDerWaalsContact O-CA 3.27Å; L214-R248 WeakPolarHBondContact O-CA 3.39Å; L214-A249 HydrophobicContact CB-CB 4.49Å; L214-A249 PolarHBondContact N-O 2.82Å; L214-A249 PolarHBondContact O-N 3.15Å; L214-L274 HydrophobicContact CD1-CB 4.18Å; L214-L274 HydrophobicContact CD1-CD1 4.2Å; L214-A275 HydrophobicContact CD2-CB 4.14Å; L214-I282 HydrophobicContact CD2-CD1 3.76Å
215P76.7Confident78.6Confident59 Ų5953.4 Ų53.438%0.38331%0.305SS..EExtended strand (participates in β ladder)trans-58.8132164.9-19.632.2000110.6I217 M218P215-I217 PolarHBondContact O-N 2.88Å; P215-M218 PolarHBondContact O-N 2.73Å; P215-M218 VanDerWaalsContact O-N 3.09Å
216A62.1Low78.2Confident49 Ų4954.4 Ų54.441%0.40531%0.313SS..THydrogen-bonded Turntrans-67.93.9-172.800000116.1L214 M218 Y247L214-A216 PolarHBondContact O-N 2.83Å; A216-M218 PolarHBondContact O-N 2.89Å; A216-Y247 VanDerWaalsContact CB-C 3.42Å; A216-Y247 WeakPolarHBondContact CB-O 3.43Å; A216-Y247 PolarHBondContact N-O 2.91Å
217I56.7Low77.9Confident164 Ų16454.4 Ų54.484%0.84131%0.313SS*.THydrogen-bonded Turntrans-67.6-25.9167.9-46.4178000110.2P215P215-I217 PolarHBondContact O-N 2.88Å
218M60.5Low77.8Confident79 Ų7957.4 Ų57.439%0.38933%0.325SS..SBendtrans-93.8110.1-178.9-53-158.977.500110.6P215 A216 S220 L274P215-M218 PolarHBondContact O-N 2.73Å; P215-M218 VanDerWaalsContact O-N 3.09Å; A216-M218 PolarHBondContact O-N 2.89Å; M218-S220 VanDerWaalsContact C-N 3.35Å; M218-S220 PolarHBondContact O-N 3.13Å; M218-L274 WeakPolarHBondContact CE-O 3.25Å
219Q54.7Low77.6Confident197 Ų19763 Ų6392%0.92135%0.35SS*.  trans-78.180-177-169.7169.686.700110.9D221Q219-D221 PolarHBondContact O-N 3.18Å; Q219-D221 VanDerWaalsContact O-N 3.1Å
220S60.8Low77.5Confident23 Ų2362.7 Ų62.716%0.16135%0.348CS..  trans-74.594.7-176.462.50000112.6M218 P222 F240M218-S220 VanDerWaalsContact C-N 3.35Å; M218-S220 PolarHBondContact O-N 3.13Å; S220-P222 WeakPolarHBondContact O-CD 3.45Å; S220-F240 WeakPolarHBondContact OG-CD1 3.5Å
221D65Low77.2Confident81 Ų8163.7 Ų63.743%0.43336%0.355SS..  trans-80.4117.3173-172.3-11000111.4Q219 S223 S224Q219-D221 PolarHBondContact O-N 3.18Å; Q219-D221 VanDerWaalsContact O-N 3.1Å; D221-S223 PolarHBondContact O-N 3.4Å; D221-S223 WeakPolarHBondContact OD1-CA 3.23Å; D221-S223 WeakPolarHBondContact OD1-CB 3.5Å; D221-S223 PolarHBondContact OD1-N 3.39Å; D221-S223 PolarHBondContact OD1-OG 2.88Å; D221-S223 PolarHBondContact OD2-OG 3.27Å; D221-S223 VanDerWaalsContact OD2-OG 3.05Å; D221-S224 WeakPolarHBondContact O-CB 3.5Å; D221-S224 PolarHBondContact O-N 3.42Å
222P65.1Low77.1Confident68 Ų6869 Ų6944%0.44238%0.377SS..THydrogen-bonded Turntrans-62.9-18.3173.824.4-31.1000114.2S220 F240S220-P222 WeakPolarHBondContact O-CD 3.45Å; P222-F240 HydrophobicContact CB-CD2 3.78Å; P222-F240 HydrophobicContact CB-CE2 4.15Å; P222-F240 HydrophobicContact CG-CD2 4.23Å
223S68.1Low77.2Confident65 Ų6572.3 Ų72.346%0.45540%0.398SS..THydrogen-bonded Turntrans-92.6-0.7179.776.20000114.3D221 Q228D221-S223 PolarHBondContact O-N 3.4Å; D221-S223 WeakPolarHBondContact OD1-CA 3.23Å; D221-S223 WeakPolarHBondContact OD1-CB 3.5Å; D221-S223 PolarHBondContact OD1-N 3.39Å; D221-S223 PolarHBondContact OD1-OG 2.88Å; D221-S223 PolarHBondContact OD2-OG 3.27Å; D221-S223 VanDerWaalsContact OD2-OG 3.05Å; S223-Q228 PolarHBondContact O-NE2 3.01Å
224S83.2Confident77.3Confident28 Ų2870.5 Ų70.520%0.19639%0.388CS..  trans-49.5132171.8165.30000111.2D221 T226 V227 Q228D221-S224 WeakPolarHBondContact O-CB 3.5Å; D221-S224 PolarHBondContact O-N 3.42Å; S224-T226 PolarHBondContact O-N 3.32Å; S224-V227 WeakPolarHBondContact O-CA 3.43Å; S224-V227 WeakPolarHBondContact O-CB 3.28Å; S224-V227 PolarHBondContact O-N 2.76Å; S224-Q228 PolarHBondContact O-N 3.29Å
225P85.5Confident77.7Confident103 Ų10376.7 Ų76.767%0.66942%0.421SS*.Hα-helixtrans-60.5-34-174.923.7-33.8000112.4Q228 H229P225-Q228 PolarHBondContact O-N 2.93Å; P225-H229 WeakPolarHBondContact O-CB 3.08Å; P225-H229 PolarHBondContact O-N 3.37Å
226T86Confident78.4Confident60 Ų6074.3 Ų74.337%0.36841%0.405SS..Hα-helixtrans-66.2-39.8174.5-47.60000111.8S224 H229 I230 H273S224-T226 PolarHBondContact O-N 3.32Å; T226-H229 PolarHBondContact O-N 2.66Å; T226-I230 HydrophobicContact CG2-CD1 4.1Å; T226-I230 VanDerWaalsContact O-CG1 3.28Å; T226-I230 WeakPolarHBondContact O-CG1 3.27Å; T226-I230 PolarHBondContact O-N 2.88Å; T226-H273 WeakPolarHBondContact CB-NE2 3.22Å
227V86.4Confident79.8Confident2 Ų276.2 Ų76.21%0.01241%0.411CS..Hα-helixtrans-67.1-42.7175.9177.40000110.3S224 S231 V238 L270 L274S224-V227 WeakPolarHBondContact O-CA 3.43Å; S224-V227 WeakPolarHBondContact O-CB 3.28Å; S224-V227 PolarHBondContact O-N 2.76Å; V227-S231 VanDerWaalsContact O-CB 3.29Å; V227-S231 WeakPolarHBondContact O-CB 3.35Å; V227-S231 PolarHBondContact O-N 3.02Å; V227-V238 HydrophobicContact CG1-CB 4.28Å; V227-V238 HydrophobicContact CG1-CG1 4.09Å; V227-V238 HydrophobicContact CG1-CG2 4.44Å; V227-L270 HydrophobicContact CB-CD1 4.33Å; V227-L270 HydrophobicContact CG1-CD1 3.92Å; V227-L270 HydrophobicContact CG2-CD1 3.86Å; V227-L274 HydrophobicContact CG2-CD2 4.46Å
228Q88Confident81.4Confident92 Ų9269.4 Ų69.443%0.4338%0.377SS..Hα-helixtrans-61-46.9174.4-66.3-165.852.200111.7S223 S224 P225 S231 Q232S223-Q228 PolarHBondContact O-NE2 3.01Å; S224-Q228 PolarHBondContact O-N 3.29Å; P225-Q228 PolarHBondContact O-N 2.93Å; Q228-S231 WeakPolarHBondContact O-CB 3.3Å; Q228-S231 PolarHBondContact O-N 3.46Å; Q228-Q232 VanDerWaalsContact O-CG 3.31Å; Q228-Q232 WeakPolarHBondContact O-CG 3.46Å; Q228-Q232 PolarHBondContact O-N 2.94Å
229H89.9Confident82.7Confident118 Ų11868.1 Ų68.155%0.54638%0.376SS..Hα-helixtrans-57.6-54.1176.9-179-96.4000111.3P225 T226 S231 Q232 T233P225-H229 WeakPolarHBondContact O-CB 3.08Å; P225-H229 PolarHBondContact O-N 3.37Å; T226-H229 PolarHBondContact O-N 2.66Å; H229-S231 VanDerWaalsContact C-N 3.26Å; H229-S231 PolarHBondContact O-N 2.66Å; H229-Q232 PolarHBondContact O-N 2.85Å; H229-T233 PolarHBondContact CE1-OG1 3.43Å; H229-T233 PolarHBondContact O-N 2.88Å; H229-T233 PolarHBondContact O-OG1 3.03Å
230I89.8Confident84.2Confident14 Ų1460.1 Ų60.17%0.07234%0.338CS..Hα-helixtrans-56.6-41176.2-67.1166.7000111.2T226 Q232 Y234 L269T226-I230 HydrophobicContact CG2-CD1 4.1Å; T226-I230 VanDerWaalsContact O-CG1 3.28Å; T226-I230 WeakPolarHBondContact O-CG1 3.27Å; T226-I230 PolarHBondContact O-N 2.88Å; I230-Q232 VanDerWaalsContact C-N 3.35Å; I230-Q232 PolarHBondContact O-N 3.48Å; I230-Y234 HydrophobicContact CG2-CD2 4.06Å; I230-Y234 WeakPolarHBondContact O-CD2 3.47Å; I230-Y234 PolarHBondContact O-N 2.99Å; I230-L269 HydrophobicContact CD1-CB 4.19Å
231S89.3Confident85.1Confident22 Ų2264.4 Ų64.415%0.15435%0.354CS..Hα-helixtrans-64.4-38178.3-152.60000112.2V227 Q228 H229 N235 L236V227-S231 VanDerWaalsContact O-CB 3.29Å; V227-S231 WeakPolarHBondContact O-CB 3.35Å; V227-S231 PolarHBondContact O-N 3.02Å; Q228-S231 WeakPolarHBondContact O-CB 3.3Å; Q228-S231 PolarHBondContact O-N 3.46Å; H229-S231 VanDerWaalsContact C-N 3.26Å; H229-S231 PolarHBondContact O-N 2.66Å; S231-N235 PolarHBondContact O-N 3.04Å; S231-L236 PolarHBondContact O-N 3.02Å; S231-L236 PolarHBondContact OG-O 2.84Å
232Q90.5Very high85.2Confident132 Ų13265.6 Ų65.662%0.61737%0.366SS*.Hα-helixtrans-74.6-54.4177.6-68.8170.417.200111.5Q228 H229 I230 Y234 N235Q228-Q232 VanDerWaalsContact O-CG 3.31Å; Q228-Q232 WeakPolarHBondContact O-CG 3.46Å; Q228-Q232 PolarHBondContact O-N 2.94Å; H229-Q232 PolarHBondContact O-N 2.85Å; I230-Q232 VanDerWaalsContact C-N 3.35Å; I230-Q232 PolarHBondContact O-N 3.48Å; Q232-Y234 VanDerWaalsContact C-N 3.26Å; Q232-Y234 PolarHBondContact O-N 2.71Å; Q232-N235 PolarHBondContact O-N 3.44Å; Q232-N235 VanDerWaalsContact O-N 3.07Å
233T92.3Very high85.1Confident73 Ų7365.7 Ų65.745%0.44837%0.367SS..Hα-helixtrans-53.4-41.6-178.4-49.90000112.4H229H229-T233 PolarHBondContact CE1-OG1 3.43Å; H229-T233 PolarHBondContact O-N 2.88Å; H229-T233 PolarHBondContact O-OG1 3.03Å
234Y89.8Confident84.7Confident51 Ų5169 Ų6920%0.239%0.385CS..THydrogen-bonded Turntrans-98.87-177.1-65.2-72.6000114.2I230 Q232 L236 A262 R265 L269I230-Y234 HydrophobicContact CG2-CD2 4.06Å; I230-Y234 WeakPolarHBondContact O-CD2 3.47Å; I230-Y234 PolarHBondContact O-N 2.99Å; Q232-Y234 VanDerWaalsContact C-N 3.26Å; Q232-Y234 PolarHBondContact O-N 2.71Å; Y234-L236 VanDerWaalsContact C-N 3.33Å; Y234-L236 WeakPolarHBondContact O-CD2 3.31Å; Y234-L236 PolarHBondContact O-N 3.19Å; Y234-A262 HydrophobicContact CD1-CB 3.85Å; Y234-A262 HydrophobicContact CG-CB 4.48Å; Y234-R265 HydrophobicContact CE1-CB 4.13Å; Y234-L269 HydrophobicContact CE2-CD1 3.57Å; Y234-L269 WeakPolarHBondContact OH-CD1 3.39Å
235N90.6Very high83.3Confident130 Ų13078.5 Ų78.570%0.69542%0.416SS*.THydrogen-bonded Turntrans52.846.8-178.5-72.9-97.8000113.1S231 Q232S231-N235 PolarHBondContact O-N 3.04Å; Q232-N235 PolarHBondContact O-N 3.44Å; Q232-N235 VanDerWaalsContact O-N 3.07Å
236L92.2Very high81.9Confident10 Ų1080.4 Ų80.45%0.05242%0.42CS..  trans-104.4163.4-179.1-51.4-178.7000111.1S231 Y234 I253 R254 V263S231-L236 PolarHBondContact O-N 3.02Å; S231-L236 PolarHBondContact OG-O 2.84Å; Y234-L236 VanDerWaalsContact C-N 3.33Å; Y234-L236 WeakPolarHBondContact O-CD2 3.31Å; Y234-L236 PolarHBondContact O-N 3.19Å; L236-I253 HydrophobicContact CB-CG2 4.25Å; L236-I253 HydrophobicContact CD1-CG2 3.98Å; L236-I253 HydrophobicContact CG-CG2 4.48Å; L236-R254 CarbonylContact C-O 3.57Å; L236-R254 WeakPolarHBondContact CA-O 3.18Å; L236-V263 HydrophobicContact CD2-CB 4.21Å; L236-V263 HydrophobicContact CD2-CG2 3.7Å
237T90.8Very high80.7Confident88 Ų8887.4 Ų87.454%0.5444%0.441SS..EExtended strand (participates in β ladder)trans-122.7105166.6-55.30000108.6R254T237-R254 PolarHBondContact N-O 2.81Å; T237-R254 PolarHBondContact O-N 3.33Å
238V90.4Very high79.7Confident21 Ų2193.8 Ų93.813%0.12747%0.465CS..EExtended strand (participates in β ladder)trans-88.4138.6176.2-176.20000110V227 F240 V252 L270V227-V238 HydrophobicContact CG1-CB 4.28Å; V227-V238 HydrophobicContact CG1-CG1 4.09Å; V227-V238 HydrophobicContact CG1-CG2 4.44Å; V238-F240 HydrophobicContact CG1-CE2 3.78Å; V238-F240 HydrophobicContact CG1-CZ 3.81Å; V238-V252 CarbonylContact C-O 3.52Å; V238-L270 HydrophobicContact CB-CD2 4.47Å; V238-L270 HydrophobicContact CG1-CD2 3.78Å; V238-L270 HydrophobicContact CG2-CD2 3.76Å
239S88Confident79.2Confident52 Ų5289.9 Ų89.936%0.36445%0.449SS..EExtended strand (participates in β ladder)trans-151.4119.1177.1176.60000110.2V252S239-V252 PolarHBondContact N-O 3.43Å; S239-V252 WeakPolarHBondContact O-CB 3.43Å; S239-V252 PolarHBondContact O-N 3.09Å
240F86.2Confident79Confident29 Ų2986 Ų8613%0.12743%0.434CS..EExtended strand (participates in β ladder)trans-87.4132.2171.2-59.6-76.7000110F212 L214 S220 P222 V238 L274F212-F240 HydrophobicContact CE2-CE1 4.45Å; F212-F240 AromaticContact CZ-CE1 3.95Å; F212-F240 HydrophobicContact CZ-CE1 3.95Å; L214-F240 HydrophobicContact CD1-CE1 4.34Å; S220-F240 WeakPolarHBondContact OG-CD1 3.5Å; P222-F240 HydrophobicContact CB-CD2 3.78Å; P222-F240 HydrophobicContact CB-CE2 4.15Å; P222-F240 HydrophobicContact CG-CD2 4.23Å; V238-F240 HydrophobicContact CG1-CE2 3.78Å; V238-F240 HydrophobicContact CG1-CZ 3.81Å; F240-L274 HydrophobicContact CE1-CD1 3.84Å; F240-L274 HydrophobicContact CZ-CD1 3.53Å
241K80.3Confident79Confident114 Ų11485.4 Ų85.450%0.49643%0.43SS..EExtended strand (participates in β ladder)trans-93.7135.7170.7-68.5178.3178173.50109.6T250 V252K241-T250 PolarHBondContact N-O 2.67Å; K241-T250 PolarHBondContact O-N 3.22Å; K241-V252 HydrophobicContact CD-CG2 4.21Å; K241-V252 HydrophobicContact CG-CG2 4.43Å
242P66.9Low79Confident105 Ų10584.8 Ų84.868%0.68243%0.426SS*.PPolyproline II helixtrans-62.6148.5177.326.3-34.2000111T244P242-T244 PolarHBondContact O-N 2.87Å
243P63.7Low79.1Confident70 Ų7078.5 Ų78.546%0.45540%0.396SS..PPolyproline II helixtrans-58.5119.8-179.8-22.132000111.4R248P243-R248 WeakPolarHBondContact CA-O 3.47Å; P243-R248 VanDerWaalsContact CB-O 3.25Å; P243-R248 WeakPolarHBondContact CB-O 3.43Å; P243-R248 WeakPolarHBondContact CG-O 3.37Å
244T58.6Low79.1Confident135 Ų13581 Ų8183%0.82840%0.398SS*.SBendtrans-81.9-35.7-175.354.20000113.4P242P242-T244 PolarHBondContact O-N 2.87Å
245R54.7Low79.2Confident227 Ų22779.3 Ų79.386%0.85740%0.395SS*.SBendtrans-150.3-14.1179.1-65.9-165.9179.7-139.7-5.5117.6
246L56.3Low79.2Confident143 Ų14375.2 Ų75.275%0.74938%0.377SS*.SBendtrans-140.640.6-160.2-69.2175.3000116.1R248L246-R248 PolarHBondContact O-N 3.05Å
247Y59.9Low79Confident207 Ų20776.8 Ų76.881%0.81238%0.384SS*.SBendtrans46.940.6174-61-87.5000115.1A216A216-Y247 VanDerWaalsContact CB-C 3.42Å; A216-Y247 WeakPolarHBondContact CB-O 3.43Å; A216-Y247 PolarHBondContact N-O 2.91Å
248R66.6Low79.1Confident136 Ų13678 Ų7851%0.51339%0.387SS..EExtended strand (participates in β ladder)trans-131.1133173.6-80.7179.7172.71804.2110.4E213 L214 P243 L246E213-R248 VanDerWaalsContact OE2-CD 3.24Å; E213-R248 WeakPolarHBondContact OE2-CD 3.46Å; E213-R248 IonicContact OE2-CZ 3.58Å; E213-R248 IonicContact OE2-NE 3.77Å; E213-R248 IonicContact OE2-NH1 2.69Å; E213-R248 PolarHBondContact OE2-NH1 3.44Å; L214-R248 CarbonylContact O-C 3.53Å; L214-R248 VanDerWaalsContact O-CA 3.27Å; L214-R248 WeakPolarHBondContact O-CA 3.39Å; P243-R248 WeakPolarHBondContact CA-O 3.47Å; P243-R248 VanDerWaalsContact CB-O 3.25Å; P243-R248 WeakPolarHBondContact CB-O 3.43Å; P243-R248 WeakPolarHBondContact CG-O 3.37Å; L246-R248 PolarHBondContact O-N 3.05Å
249A77.5Confident79.1Confident11 Ų1180.3 Ų80.39%0.09140%0.398CS..EExtended strand (participates in β ladder)trans-89.8125.3169.200000108.8L214L214-A249 HydrophobicContact CB-CB 4.49Å; L214-A249 PolarHBondContact N-O 2.82Å; L214-A249 PolarHBondContact O-N 3.15Å
250T85.6Confident79.3Confident37 Ų3779.3 Ų79.323%0.22739%0.39CS..EExtended strand (participates in β ladder)trans-94.7107.4177.6-48.50000109.6F212 E213 K241 V252F212-T250 CarbonylContact O-C 3.52Å; F212-T250 WeakPolarHBondContact O-CA 3.42Å; E213-T250 HydrophobicContact CG-CG2 4.46Å; K241-T250 PolarHBondContact N-O 2.67Å; K241-T250 PolarHBondContact O-N 3.22Å; T250-V252 HydrophobicContact CG2-CG2 4.33Å
251G88.1Confident79.6Confident0 Ų083 Ų830%041%0.411CS..EExtended strand (participates in β ladder)trans-72.4134.9167.800000110.6S211 F212S211-G251 CarbonylContact C-O 3.56Å; S211-G251 WeakPolarHBondContact CA-O 3.48Å; S211-G251 WeakPolarHBondContact CB-O 3.32Å; F212-G251 PolarHBondContact N-O 2.8Å; F212-G251 PolarHBondContact O-N 3.28Å
252V91.1Very high80.2Confident10 Ų1077.8 Ų77.86%0.06139%0.389CS..EExtended strand (participates in β ladder)trans-127.8120.2175.2-175.10000108.7V209 V238 S239 K241 T250 R254V209-V252 HydrophobicContact CG1-CG1 3.73Å; V238-V252 CarbonylContact C-O 3.52Å; S239-V252 PolarHBondContact N-O 3.43Å; S239-V252 WeakPolarHBondContact O-CB 3.43Å; S239-V252 PolarHBondContact O-N 3.09Å; K241-V252 HydrophobicContact CD-CG2 4.21Å; K241-V252 HydrophobicContact CG-CG2 4.43Å; T250-V252 HydrophobicContact CG2-CG2 4.33Å; V252-R254 HydrophobicContact CG1-CG 4.47Å
253I92.8Very high81.5Confident0 Ų072.9 Ų72.90%036%0.357CS..EExtended strand (participates in β ladder)trans-109.6127179.4-51.7171.2000107.2V209 L210 F212 L236 T267 L270V209-I253 CarbonylContact C-O 3.6Å; V209-I253 WeakPolarHBondContact CA-O 3.48Å; L210-I253 PolarHBondContact N-O 3.18Å; L210-I253 PolarHBondContact O-N 3.04Å; L210-I253 VanDerWaalsContact O-O 3.09Å; F212-I253 HydrophobicContact CD1-CD1 4.21Å; F212-I253 HydrophobicContact CD1-CG1 4.45Å; F212-I253 HydrophobicContact CE1-CD1 3.78Å; F212-I253 HydrophobicContact CE1-CG1 3.89Å; L236-I253 HydrophobicContact CB-CG2 4.25Å; L236-I253 HydrophobicContact CD1-CG2 3.98Å; L236-I253 HydrophobicContact CG-CG2 4.48Å; I253-T267 HydrophobicContact CD1-CG2 3.56Å; I253-T267 VanDerWaalsContact CD1-OG1 3.23Å; I253-T267 WeakPolarHBondContact CD1-OG1 3.38Å; I253-L270 HydrophobicContact CD1-CD2 3.76Å; I253-L270 HydrophobicContact CG1-CD2 3.91Å
254R92.2Very high83Confident126 Ų12671.4 Ų71.448%0.47534%0.344SS..EExtended strand (participates in β ladder)trans-115.8140.9171.5-43.7-167.4-164.9-164.39110.2L208 V209 L236 T237 V252L208-R254 WeakPolarHBondContact O-CA 3.29Å; V209-R254 HydrophobicContact CG1-CG 4.28Å; V209-R254 HydrophobicContact CG2-CB 4.36Å; V209-R254 HydrophobicContact CG2-CG 4.08Å; L236-R254 CarbonylContact C-O 3.57Å; L236-R254 WeakPolarHBondContact CA-O 3.18Å; T237-R254 PolarHBondContact N-O 2.81Å; T237-R254 PolarHBondContact O-N 3.33Å; V252-R254 HydrophobicContact CG1-CG 4.47Å
255G91.2Very high84.6Confident14 Ų1472.2 Ų72.214%0.14433%0.332CS..EExtended strand (participates in β ladder)trans-149.7-169.1168.400000110.8L208L208-G255 PolarHBondContact N-O 3.27Å; L208-G255 PolarHBondContact O-N 3.03Å
256S89.4Confident86.5Confident44 Ų4461.4 Ų61.431%0.30829%0.291SS..EExtended strand (participates in β ladder)trans-98.9144.3175.5169.70000111E204 N258 N259E204-S256 PolarHBondContact O-OG 3.28Å; E204-S256 VanDerWaalsContact O-OG 3.05Å; S256-N258 PolarHBondContact O-N 3.19Å; S256-N258 VanDerWaalsContact OG-CB 3.32Å; S256-N258 WeakPolarHBondContact OG-CB 3.28Å; S256-N258 PolarHBondContact OG-N 2.8Å; S256-N258 VanDerWaalsContact OG-N 3.15Å; S256-N259 PolarHBondContact O-N 3.18Å
257Q89.9Confident88.2Confident44 Ų4454.6 Ų54.621%0.20626%0.255CS..G310 helixtrans-62.4-22.2172.1-173.166.12900112.5R203 E204 L206 N259 V260R203-Q257 WeakPolarHBondContact O-CB 3.37Å; R203-Q257 WeakPolarHBondContact O-CG 3.15Å; E204-Q257 CarbonylContact O-C 3.47Å; E204-Q257 PolarHBondContact O-N 2.8Å; L206-Q257 VanDerWaalsContact O-CB 3.29Å; L206-Q257 WeakPolarHBondContact O-CB 3.5Å; L206-Q257 PolarHBondContact O-N 3.21Å; Q257-N259 PolarHBondContact O-N 2.9Å; Q257-V260 WeakPolarHBondContact O-CG2 3.46Å
258N90.9Very high89.7Confident112 Ų11246.7 Ų46.760%0.59923%0.233SC*.G310 helixtrans-59-28.4170.1-17021.6000112.5E204 S256E204-N258 HydrophobicContact CB-CB 4.07Å; E204-N258 PolarHBondContact O-N 2.95Å; S256-N258 PolarHBondContact O-N 3.19Å; S256-N258 VanDerWaalsContact OG-CB 3.32Å; S256-N258 WeakPolarHBondContact OG-CB 3.28Å; S256-N258 PolarHBondContact OG-N 2.8Å; S256-N258 VanDerWaalsContact OG-N 3.15Å
259N90.5Very high90.9Very high70 Ų7043.2 Ų43.237%0.37422%0.224SC..G310 helixtrans-123.744.9-174.2-157.1-4.9000113.1S256 Q257 N261 A262 V263S256-N259 PolarHBondContact O-N 3.18Å; Q257-N259 PolarHBondContact O-N 2.9Å; N259-N261 PolarHBondContact O-N 3.49Å; N259-N261 VanDerWaalsContact O-N 3.08Å; N259-A262 HydrophobicContact CB-CB 4.33Å; N259-A262 VanDerWaalsContact ND2-CB 3.34Å; N259-A262 WeakPolarHBondContact ND2-CB 3.38Å; N259-A262 PolarHBondContact O-N 2.98Å; N259-A262 WeakPolarHBondContact OD1-CB 3.48Å; N259-A262 PolarHBondContact OD1-N 3.05Å; N259-V263 WeakPolarHBondContact O-CG2 3.4Å; N259-V263 PolarHBondContact O-N 3.09Å
260V92.2Very high91.5Very high31 Ų3142.8 Ų42.819%0.18822%0.22CC..Hα-helixtrans-49-38.6177.9-1690000111.9L208 Q257 A262 V263 K264 C341L208-V260 HydrophobicContact CD2-CB 4.49Å; L208-V260 HydrophobicContact CD2-CG1 4.03Å; L208-V260 HydrophobicContact CD2-CG2 4.44Å; Q257-V260 WeakPolarHBondContact O-CG2 3.46Å; V260-A262 PolarHBondContact O-N 3.03Å; V260-V263 PolarHBondContact O-N 2.96Å; V260-K264 HydrophobicContact CG1-CD 4.31Å; V260-K264 HydrophobicContact CG1-CG 4.2Å; V260-K264 WeakPolarHBondContact O-CB 3.38Å; V260-K264 WeakPolarHBondContact O-CG 3.46Å; V260-K264 PolarHBondContact O-N 3Å; V260-C341 HydrophobicContact CG1-CB 4.46Å
261N93.9Very high91.7Very high108 Ų10841.2 Ų41.258%0.57821%0.21SC*.Hα-helixtrans-72.1-26.2-176.6-65.1-20.5000113.6N259 R265N259-N261 PolarHBondContact O-N 3.49Å; N259-N261 VanDerWaalsContact O-N 3.08Å; N261-R265 WeakPolarHBondContact O-CG 3.46Å; N261-R265 PolarHBondContact O-N 2.91Å; N261-R265 PolarHBondContact O-NE 3.2Å
262A93.1Very high91.8Very high4 Ų446.9 Ų46.93%0.03324%0.237CC..Hα-helixtrans-77.1-42166.400000111.3Y234 N259 V260 K264 R265 G266Y234-A262 HydrophobicContact CD1-CB 3.85Å; Y234-A262 HydrophobicContact CG-CB 4.48Å; N259-A262 HydrophobicContact CB-CB 4.33Å; N259-A262 VanDerWaalsContact ND2-CB 3.34Å; N259-A262 WeakPolarHBondContact ND2-CB 3.38Å; N259-A262 PolarHBondContact O-N 2.98Å; N259-A262 WeakPolarHBondContact OD1-CB 3.48Å; N259-A262 PolarHBondContact OD1-N 3.05Å; V260-A262 PolarHBondContact O-N 3.03Å; A262-K264 PolarHBondContact O-N 2.98Å; A262-R265 PolarHBondContact O-N 2.91Å; A262-G266 PolarHBondContact O-N 3.33Å
263V93.8Very high91.7Very high1 Ų150.5 Ų50.51%0.00625%0.253CS..Hα-helixtrans-58.6-46.5177-178.40000110.9L208 L210 L236 N259 V260 T267L208-V263 HydrophobicContact CD2-CB 4Å; L208-V263 HydrophobicContact CD2-CG1 3.82Å; L208-V263 HydrophobicContact CD2-CG2 4.23Å; L208-V263 HydrophobicContact CG-CG1 4.15Å; L210-V263 HydrophobicContact CD1-CG1 3.92Å; L210-V263 HydrophobicContact CG-CG1 4.25Å; L236-V263 HydrophobicContact CD2-CB 4.21Å; L236-V263 HydrophobicContact CD2-CG2 3.7Å; N259-V263 WeakPolarHBondContact O-CG2 3.4Å; N259-V263 PolarHBondContact O-N 3.09Å; V260-V263 PolarHBondContact O-N 2.96Å; V263-T267 WeakPolarHBondContact O-CB 3.28Å; V263-T267 PolarHBondContact O-N 3.35Å; V263-T267 PolarHBondContact O-OG1 2.89Å
264K94.2Very high91.3Very high40 Ų4051.4 Ų51.417%0.17426%0.257CS..Hα-helixtrans-57.4-55.1174.9-75.3-178162.2-166.60112.1V260 A262 T267 A268 I337 E338V260-K264 HydrophobicContact CG1-CD 4.31Å; V260-K264 HydrophobicContact CG1-CG 4.2Å; V260-K264 WeakPolarHBondContact O-CB 3.38Å; V260-K264 WeakPolarHBondContact O-CG 3.46Å; V260-K264 PolarHBondContact O-N 3Å; A262-K264 PolarHBondContact O-N 2.98Å; K264-T267 PolarHBondContact O-N 3.31Å; K264-A268 PolarHBondContact O-N 3.24Å; K264-I337 HydrophobicContact CB-CG2 4.01Å; K264-I337 HydrophobicContact CG-CG2 3.85Å; K264-E338 WeakPolarHBondContact CD-OE1 3.48Å; K264-E338 VanDerWaalsContact CE-OE1 3.23Å; K264-E338 WeakPolarHBondContact CE-OE1 3.32Å; K264-E338 IonicContact NZ-OE1 2.85Å; K264-E338 PolarHBondContact NZ-OE1 2.88Å; K264-E338 IonicContact NZ-OE2 2.88Å; K264-E338 PolarHBondContact NZ-OE2 2.86Å
265R93.6Very high90.9Very high152 Ų15245.7 Ų45.757%0.57424%0.238SC*.Hα-helixtrans-68-46.1-175.2-71.9-173.4-67.5175.52112.9Y234 N261 A262 T267 A268 L269Y234-R265 HydrophobicContact CE1-CB 4.13Å; N261-R265 WeakPolarHBondContact O-CG 3.46Å; N261-R265 PolarHBondContact O-N 2.91Å; N261-R265 PolarHBondContact O-NE 3.2Å; A262-R265 PolarHBondContact O-N 2.91Å; R265-T267 VanDerWaalsContact C-N 3.28Å; R265-T267 PolarHBondContact O-N 3.19Å; R265-A268 PolarHBondContact O-N 3Å; R265-L269 WeakPolarHBondContact O-CG 3.48Å; R265-L269 PolarHBondContact O-N 3.28Å
266G92.9Very high90.6Very high0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-64.8-30.8175.100000112.9A262 L270A262-G266 PolarHBondContact O-N 3.33Å; G266-L270 WeakPolarHBondContact O-CB 3.48Å; G266-L270 PolarHBondContact O-N 3.41Å
267T92.4Very high90.3Very high0 Ų050.1 Ų50.10%027%0.272CS..Hα-helixtrans-66.2-46.3170.1-62.10000111.6L210 I253 V263 K264 R265 L270 L271 I337L210-T267 HydrophobicContact CD1-CG2 4.16Å; I253-T267 HydrophobicContact CD1-CG2 3.56Å; I253-T267 VanDerWaalsContact CD1-OG1 3.23Å; I253-T267 WeakPolarHBondContact CD1-OG1 3.38Å; V263-T267 WeakPolarHBondContact O-CB 3.28Å; V263-T267 PolarHBondContact O-N 3.35Å; V263-T267 PolarHBondContact O-OG1 2.89Å; K264-T267 PolarHBondContact O-N 3.31Å; R265-T267 VanDerWaalsContact C-N 3.28Å; R265-T267 PolarHBondContact O-N 3.19Å; T267-L270 PolarHBondContact O-N 2.91Å; T267-L271 HydrophobicContact CG2-CD1 3.7Å; T267-L271 WeakPolarHBondContact O-CD1 3.46Å; T267-L271 WeakPolarHBondContact O-CG 3.35Å; T267-L271 PolarHBondContact O-N 2.96Å; T267-I337 HydrophobicContact CG2-CD1 3.91Å; T267-I337 HydrophobicContact CG2-CG1 4.01Å
268A92.6Very high90Very high41 Ų4152.2 Ų52.234%0.33928%0.284SS..Hα-helixtrans-60.1-50.3178.100000111.8K264 R265 L270 L271 E272 I337K264-A268 PolarHBondContact O-N 3.24Å; R265-A268 PolarHBondContact O-N 3Å; A268-L270 VanDerWaalsContact C-N 3.3Å; A268-L270 PolarHBondContact O-N 3.11Å; A268-L271 PolarHBondContact O-N 3.33Å; A268-E272 WeakPolarHBondContact O-CB 3.47Å; A268-E272 PolarHBondContact O-N 3.03Å; A268-I337 HydrophobicContact CB-CD1 3.8Å
269L92Very high89.6Confident63 Ų6348 Ų4833%0.3327%0.265SS..Hα-helixtrans-62.8-34.7177.6-68.6169000112.7I230 Y234 R265 H273I230-L269 HydrophobicContact CD1-CB 4.19Å; Y234-L269 HydrophobicContact CE2-CD1 3.57Å; Y234-L269 WeakPolarHBondContact OH-CD1 3.39Å; R265-L269 WeakPolarHBondContact O-CG 3.48Å; R265-L269 PolarHBondContact O-N 3.28Å; L269-H273 VanDerWaalsContact O-CB 3.31Å; L269-H273 WeakPolarHBondContact O-CB 3.13Å; L269-H273 PolarHBondContact O-N 3.16Å
270L89.9Confident89.2Confident1 Ų149.7 Ų49.71%0.00528%0.282CS..Hα-helixtrans-68.4-40.1175-174.668000111.7F212 V227 V238 I253 G266 T267 A268 L274F212-L270 HydrophobicContact CE1-CD2 4.23Å; F212-L270 HydrophobicContact CZ-CD2 4.17Å; V227-L270 HydrophobicContact CB-CD1 4.33Å; V227-L270 HydrophobicContact CG1-CD1 3.92Å; V227-L270 HydrophobicContact CG2-CD1 3.86Å; V238-L270 HydrophobicContact CB-CD2 4.47Å; V238-L270 HydrophobicContact CG1-CD2 3.78Å; V238-L270 HydrophobicContact CG2-CD2 3.76Å; I253-L270 HydrophobicContact CD1-CD2 3.76Å; I253-L270 HydrophobicContact CG1-CD2 3.91Å; G266-L270 WeakPolarHBondContact O-CB 3.48Å; G266-L270 PolarHBondContact O-N 3.41Å; T267-L270 PolarHBondContact O-N 2.91Å; A268-L270 VanDerWaalsContact C-N 3.3Å; A268-L270 PolarHBondContact O-N 3.11Å; L270-L274 HydrophobicContact CD1-CD1 3.77Å; L270-L274 HydrophobicContact CD1-CG 4.25Å; L270-L274 HydrophobicContact CD2-CD1 4.4Å; L270-L274 HydrophobicContact CG-CD1 3.68Å; L270-L274 HydrophobicContact CG-CG 4.46Å; L270-L274 VanDerWaalsContact O-CB 3.26Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 WeakPolarHBondContact O-CD1 3.49Å; L270-L274 WeakPolarHBondContact O-CG 3.09Å; L270-L274 PolarHBondContact O-N 3.03Å
271L89.6Confident88.9Confident4 Ų453.6 Ų53.62%0.02131%0.306CS..Hα-helixtrans-67.5-42.5174.9-75152.7000111.7F212 T267 A268 L274 A275 A279 I282 I284 I337F212-L271 HydrophobicContact CB-CD2 4.25Å; F212-L271 HydrophobicContact CD1-CD2 4.5Å; F212-L271 HydrophobicContact CD2-CD2 3.49Å; F212-L271 VanDerWaalsContact CD2-CD2 3.49Å; F212-L271 HydrophobicContact CE2-CD2 3.84Å; F212-L271 HydrophobicContact CG-CD2 3.85Å; F212-L271 HydrophobicContact CZ-CD2 4.49Å; T267-L271 HydrophobicContact CG2-CD1 3.7Å; T267-L271 WeakPolarHBondContact O-CD1 3.46Å; T267-L271 WeakPolarHBondContact O-CG 3.35Å; T267-L271 PolarHBondContact O-N 2.96Å; A268-L271 PolarHBondContact O-N 3.33Å; L271-L274 PolarHBondContact O-N 3.37Å; L271-A275 WeakPolarHBondContact O-CA 3.3Å; L271-A275 WeakPolarHBondContact O-CB 3.42Å; L271-A275 PolarHBondContact O-N 3.46Å; L271-A279 HydrophobicContact CB-CB 3.98Å; L271-I282 HydrophobicContact CD2-CB 4.13Å; L271-I282 HydrophobicContact CD2-CD1 4.07Å; L271-I282 HydrophobicContact CD2-CG2 3.8Å; L271-I284 HydrophobicContact CD1-CD1 3.5Å; L271-I284 HydrophobicContact CD2-CD1 4.31Å; L271-I337 HydrophobicContact CD1-CD1 4.01Å; L271-I337 HydrophobicContact CD1-CG1 4.44Å
272E90.1Very high88.7Confident120 Ų12049.6 Ų49.656%0.56129%0.285SS*.Hα-helixtrans-60.1-46.5175-175.3172.4-161.100111.2A268 L274 G276A268-E272 WeakPolarHBondContact O-CB 3.47Å; A268-E272 PolarHBondContact O-N 3.03Å; E272-L274 PolarHBondContact O-N 2.95Å; E272-G276 VanDerWaalsContact O-CA 3.22Å; E272-G276 WeakPolarHBondContact O-CA 3.41Å; E272-G276 PolarHBondContact O-N 3.34Å
273H88.1Confident88.5Confident86 Ų8651.8 Ų51.840%0.39830%0.3SS..Hα-helixtrans-65.1-38.3176-179.851.3000113.4T226 L269T226-H273 WeakPolarHBondContact CB-NE2 3.22Å; L269-H273 VanDerWaalsContact O-CB 3.31Å; L269-H273 WeakPolarHBondContact O-CB 3.13Å; L269-H273 PolarHBondContact O-N 3.16Å
274L85.4Confident88.6Confident18 Ų1851.8 Ų51.89%0.09430%0.3CS..Hα-helixtrans-88.2-21.4-174.7-68.2170.6000114.8F212 L214 M218 V227 F240 L270 L271 E272F212-L274 HydrophobicContact CE2-CD1 4.17Å; F212-L274 HydrophobicContact CZ-CD1 3.93Å; L214-L274 HydrophobicContact CD1-CB 4.18Å; L214-L274 HydrophobicContact CD1-CD1 4.2Å; M218-L274 WeakPolarHBondContact CE-O 3.25Å; V227-L274 HydrophobicContact CG2-CD2 4.46Å; F240-L274 HydrophobicContact CE1-CD1 3.84Å; F240-L274 HydrophobicContact CZ-CD1 3.53Å; L270-L274 HydrophobicContact CD1-CD1 3.77Å; L270-L274 HydrophobicContact CD1-CG 4.25Å; L270-L274 HydrophobicContact CD2-CD1 4.4Å; L270-L274 HydrophobicContact CG-CD1 3.68Å; L270-L274 HydrophobicContact CG-CG 4.46Å; L270-L274 VanDerWaalsContact O-CB 3.26Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 WeakPolarHBondContact O-CD1 3.49Å; L270-L274 WeakPolarHBondContact O-CG 3.09Å; L270-L274 PolarHBondContact O-N 3.03Å; L271-L274 PolarHBondContact O-N 3.37Å; E272-L274 PolarHBondContact O-N 2.95Å
275A83.8Confident88.6Confident7 Ų751.5 Ų51.56%0.05830%0.301CS..Hα-helixtrans-135.9-6.8-171.700000114.4L214 L271 S277 L278 I282L214-A275 HydrophobicContact CD2-CB 4.14Å; L271-A275 WeakPolarHBondContact O-CA 3.3Å; L271-A275 WeakPolarHBondContact O-CB 3.42Å; L271-A275 PolarHBondContact O-N 3.46Å; A275-S277 PolarHBondContact O-N 2.89Å; A275-L278 HydrophobicContact CB-CB 4.22Å; A275-L278 WeakPolarHBondContact O-CB 3.31Å; A275-L278 PolarHBondContact O-N 3.13Å; A275-I282 HydrophobicContact CB-CD1 3.41Å; A275-I282 VanDerWaalsContact CB-CD1 3.41Å
276G84.9Confident88.7Confident38 Ų3844.3 Ų44.339%0.39227%0.274SS..G310 helixtrans54-124.1177.700000112.5E272 L278 A279E272-G276 VanDerWaalsContact O-CA 3.22Å; E272-G276 WeakPolarHBondContact O-CA 3.41Å; E272-G276 PolarHBondContact O-N 3.34Å; G276-L278 PolarHBondContact O-N 2.85Å; G276-L278 VanDerWaalsContact O-N 3.11Å; G276-A279 WeakPolarHBondContact O-CB 3.39Å; G276-A279 PolarHBondContact O-N 3.15Å
277S82.3Confident88.6Confident112 Ų11248 Ų4878%0.78329%0.291SS*.G310 helixtrans-60.4-17.8178.154.20000114.8A275A275-S277 PolarHBondContact O-N 2.89Å
278L83.4Confident88.5Confident88 Ų8848.4 Ų48.446%0.46129%0.293SS..G310 helixtrans-84.7-7.7176.5-57.9178.2000113.3A275 G276 S280 T281 I282A275-L278 HydrophobicContact CB-CB 4.22Å; A275-L278 WeakPolarHBondContact O-CB 3.31Å; A275-L278 PolarHBondContact O-N 3.13Å; G276-L278 PolarHBondContact O-N 2.85Å; G276-L278 VanDerWaalsContact O-N 3.11Å; L278-S280 PolarHBondContact O-N 2.85Å; L278-T281 PolarHBondContact O-N 2.87Å; L278-I282 WeakPolarHBondContact O-CG1 3.45Å; L278-I282 PolarHBondContact O-N 3.36Å
279A82.7Confident88.4Confident23 Ų2347.7 Ų47.719%0.1928%0.284CS..THydrogen-bonded Turntrans-56.9-34.1-177.100000113.8L271 G276L271-A279 HydrophobicContact CB-CB 3.98Å; G276-A279 WeakPolarHBondContact O-CB 3.39Å; G276-A279 PolarHBondContact O-N 3.15Å
280S82.1Confident88.2Confident106 Ų10644.8 Ų44.874%0.74127%0.269SS*.THydrogen-bonded Turntrans-73.9-23.717753.30000113.9L278L278-S280 PolarHBondContact O-N 2.85Å
281T85.9Confident88Confident113 Ų11345.2 Ų45.269%0.69327%0.273SS*.THydrogen-bonded Turntrans-88.1-19.8-178.2-53.40000112.3L278 S283L278-T281 PolarHBondContact O-N 2.87Å; T281-S283 PolarHBondContact O-N 2.85Å
282I89.1Confident87.8Confident24 Ų2447.6 Ų47.612%0.12329%0.288CS..  trans-77.3111.5-178.6-66.5160.9000110.3F212 L214 L271 A275 L278F212-I282 HydrophobicContact CB-CG2 3.87Å; F212-I282 HydrophobicContact CD2-CG2 4.34Å; L214-I282 HydrophobicContact CD2-CD1 3.76Å; L271-I282 HydrophobicContact CD2-CB 4.13Å; L271-I282 HydrophobicContact CD2-CD1 4.07Å; L271-I282 HydrophobicContact CD2-CG2 3.8Å; A275-I282 HydrophobicContact CB-CD1 3.41Å; A275-I282 VanDerWaalsContact CB-CD1 3.41Å; L278-I282 WeakPolarHBondContact O-CG1 3.45Å; L278-I282 PolarHBondContact O-N 3.36Å
283S90.8Very high87.6Confident50 Ų5047.7 Ų47.735%0.3529%0.289SS..  trans-69.6132.1172.266.10000111.6T281 Q334T281-S283 PolarHBondContact O-N 2.85Å; S283-Q334 PolarHBondContact OG-NE2 2.81Å
284I94.7Very high87.6Confident2 Ų245.1 Ų45.11%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-87.5141.7172.3-45.5-53.4000109L210 S211 F212 L271 Q334 G335 I337 V340L210-I284 HydrophobicContact CB-CG2 3.92Å; L210-I284 HydrophobicContact CD1-CG2 4.42Å; L210-I284 HydrophobicContact CD2-CG2 4.23Å; L210-I284 HydrophobicContact CG-CG2 4.41Å; S211-I284 CarbonylContact O-C 3.5Å; S211-I284 WeakPolarHBondContact O-CA 3.15Å; F212-I284 HydrophobicContact CB-CD1 3.91Å; L271-I284 HydrophobicContact CD1-CD1 3.5Å; L271-I284 HydrophobicContact CD2-CD1 4.31Å; I284-Q334 CarbonylContact O-C 3.5Å; I284-Q334 VanDerWaalsContact O-CA 3.23Å; I284-Q334 WeakPolarHBondContact O-CA 3.34Å; I284-G335 PolarHBondContact N-O 3.41Å; I284-G335 PolarHBondContact O-N 2.83Å; I284-I337 HydrophobicContact CD1-CG1 4.25Å; I284-I337 HydrophobicContact CG1-CG1 3.7Å; I284-V340 HydrophobicContact CB-CG2 4.4Å; I284-V340 WeakPolarHBondContact O-CG2 3.18Å
285T94.5Very high87.7Confident34 Ų3444.9 Ų44.921%0.20928%0.275CS..EExtended strand (participates in β ladder)trans-120.8127.3172.2-59.40000109.7S211 Y332 I333S211-T285 PolarHBondContact N-O 3.03Å; S211-T285 PolarHBondContact O-N 2.79Å; S211-T285 PolarHBondContact OG-O 3.04Å; T285-Y332 HydrophobicContact CG2-CD1 4.37Å; T285-I333 CarbonylContact C-O 3.23Å; T285-I333 VanDerWaalsContact CA-O 3.26Å; T285-I333 WeakPolarHBondContact CA-O 3.32Å
286T94.7Very high87.7Confident1 Ų150.7 Ų50.71%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-111.4169.2161.9-162.20000110.2V209 I333 V340 R344V209-T286 WeakPolarHBondContact O-CB 2.99Å; V209-T286 PolarHBondContact O-OG1 3.16Å; T286-I333 HydrophobicContact CG2-CB 3.97Å; T286-I333 HydrophobicContact CG2-CD1 3.92Å; T286-I333 HydrophobicContact CG2-CG1 4.44Å; T286-I333 PolarHBondContact N-O 2.8Å; T286-I333 PolarHBondContact O-N 3.03Å; T286-V340 HydrophobicContact CG2-CG1 3.42Å; T286-V340 VanDerWaalsContact CG2-CG1 3.42Å; T286-R344 HydrophobicContact CG2-CB 4.43Å
287H91.6Very high87.7Confident77 Ų7749.6 Ų49.636%0.35629%0.289SS..EExtended strand (participates in β ladder)trans-130.4150.8171.757.8-72.3000110.3T330 V331 Y332H287-T330 HydrophobicContact CB-CG2 3.82Å; H287-V331 CarbonylContact C-O 3.51Å; H287-V331 VanDerWaalsContact CA-O 3.25Å; H287-V331 WeakPolarHBondContact CA-O 3.16Å; H287-Y332 HydrophobicContact CB-CD1 4.3Å; H287-Y332 HydrophobicContact CB-CE1 4.42Å
288L91.1Very high87.9Confident8 Ų844.3 Ų44.34%0.04225%0.252CS..EExtended strand (participates in β ladder)trans-134.7126.9176.5-177.762.4000108.1I290 V331 R344 L347 M348L288-I290 HydrophobicContact CB-CD1 4.48Å; L288-I290 HydrophobicContact CD2-CD1 3.84Å; L288-I290 HydrophobicContact CD2-CG1 4.21Å; L288-I290 HydrophobicContact CG-CD1 3.97Å; L288-I290 HydrophobicContact CG-CG1 3.93Å; L288-V331 PolarHBondContact N-O 2.78Å; L288-V331 PolarHBondContact O-N 2.95Å; L288-R344 HydrophobicContact CD1-CG 4.49Å; L288-R344 HydrophobicContact CD2-CG 4.28Å; L288-L347 HydrophobicContact CD2-CB 4.01Å; L288-M348 HydrophobicContact CD1-CG 4Å; L288-M348 HydrophobicContact CD1-SD 4.18Å; L288-M348 HydrophobicContact CD2-CG 3.67Å
289D89.3Confident88Confident27 Ų2743.3 Ų43.314%0.14424%0.244CC..EExtended strand (participates in β ladder)trans-96112.2-175.3-165.462.5000110.4S143 S329 T330S143-D289 PolarHBondContact OG-OD2 3.15Å; D289-S329 VanDerWaalsContact OD1-CB 3.25Å; D289-S329 WeakPolarHBondContact OD1-CB 3.49Å; D289-T330 PolarHBondContact OD1-OG1 2.87Å
290I89.1Confident88.1Confident1 Ų142.7 Ų42.71%0.00524%0.24CC..  trans-126.5130.3-169.1-61.7162000108.1L288 H294 H295 M298 S329 V331 L351L288-I290 HydrophobicContact CB-CD1 4.48Å; L288-I290 HydrophobicContact CD2-CD1 3.84Å; L288-I290 HydrophobicContact CD2-CG1 4.21Å; L288-I290 HydrophobicContact CG-CD1 3.97Å; L288-I290 HydrophobicContact CG-CG1 3.93Å; I290-H294 HydrophobicContact CG2-CB 3.98Å; I290-H295 PolarHBondContact O-NE2 3.48Å; I290-M298 HydrophobicContact CD1-CE 3.57Å; I290-M298 HydrophobicContact CD1-SD 3.93Å; I290-M298 HydrophobicContact CG1-SD 4.48Å; I290-M298 HydrophobicContact CG2-SD 3.72Å; I290-S329 PolarHBondContact N-O 3.47Å; I290-S329 CarbonylContact O-C 3.56Å; I290-S329 WeakPolarHBondContact O-CA 3.36Å; I290-S329 VanDerWaalsContact O-CB 3.24Å; I290-S329 WeakPolarHBondContact O-CB 3.36Å; I290-V331 HydrophobicContact CD1-CB 4.23Å; I290-V331 HydrophobicContact CD1-CG2 3.79Å; I290-L351 HydrophobicContact CG1-CD2 4.46Å; I290-L351 HydrophobicContact CG2-CD2 4.1Å
291A85.8Confident88.2Confident11 Ų1142.4 Ų42.49%0.09122%0.222CC..  trans-55.1132.9177.900000111.2Q293 H294 H295A291-Q293 HydrophobicContact CB-CG 3.85Å; A291-Q293 PolarHBondContact O-N 2.83Å; A291-H294 PolarHBondContact O-N 3.07Å; A291-H295 PolarHBondContact O-CD2 2.99Å
292P84.9Confident88.1Confident54 Ų5444.5 Ų44.535%0.35123%0.229SC..G310 helixtrans-57.8-32.3-169.7-2634.7000113.7H294 H295 K328P292-H294 PolarHBondContact O-N 3.21Å; P292-H294 VanDerWaalsContact O-N 3.1Å; P292-H295 WeakPolarHBondContact O-CB 3.5Å; P292-H295 PolarHBondContact O-N 2.82Å; P292-K328 HydrophobicContact CG-CB 4.13Å
293Q85.1Confident87.9Confident122 Ų12244.1 Ų44.157%0.5723%0.232SC*.G310 helixtrans-52.2-25.2172.170.7-159.11600114.7A291A291-Q293 HydrophobicContact CB-CG 3.85Å; A291-Q293 PolarHBondContact O-N 2.83Å
294H87.8Confident87.8Confident31 Ų3144.7 Ų44.714%0.14424%0.236CC..G310 helixtrans-97.2-7179-57.9-41.7000113.2I290 A291 P292 L296 F297 M298I290-H294 HydrophobicContact CG2-CB 3.98Å; A291-H294 PolarHBondContact O-N 3.07Å; P292-H294 PolarHBondContact O-N 3.21Å; P292-H294 VanDerWaalsContact O-N 3.1Å; H294-L296 PolarHBondContact O-N 3.3Å; H294-F297 WeakPolarHBondContact O-CB 3.33Å; H294-F297 PolarHBondContact O-N 3.37Å; H294-M298 WeakPolarHBondContact O-CB 3.35Å; H294-M298 VanDerWaalsContact O-CG 3.31Å; H294-M298 WeakPolarHBondContact O-CG 3.24Å; H294-M298 PolarHBondContact O-N 3.12Å
295H88.1Confident87.5Confident14 Ų1444.8 Ų44.87%0.06524%0.236CC..Hα-helixtrans-65.5-40.6-178.2-71.4-158.2000112.2I290 A291 P292 K299 F319 K328 S329I290-H295 PolarHBondContact O-NE2 3.48Å; A291-H295 PolarHBondContact O-CD2 2.99Å; P292-H295 WeakPolarHBondContact O-CB 3.5Å; P292-H295 PolarHBondContact O-N 2.82Å; H295-K299 WeakPolarHBondContact O-CB 3.42Å; H295-K299 WeakPolarHBondContact O-CG 3.47Å; H295-K299 PolarHBondContact O-N 3.01Å; H295-F319 HydrophobicContact CB-CD1 3.98Å; H295-F319 HydrophobicContact CB-CE1 4.18Å; H295-F319 AromaticContact CG-CD1 3.76Å; H295-F319 AromaticContact ND1-CD1 3.64Å; H295-K328 PolarHBondContact CE1-O 3.29Å; H295-S329 PolarHBondContact NE2-O 2.85Å
296L85.1Confident87.4Confident129 Ų12944.2 Ų44.268%0.67523%0.232SC*.Hα-helixtrans-66.8-44178.8-173.963.9000111.5H294 K299 G300H294-L296 PolarHBondContact O-N 3.3Å; L296-K299 PolarHBondContact O-N 2.97Å; L296-G300 PolarHBondContact O-N 3.36Å
297F83.8Confident87.2Confident15 Ų1550.7 Ų50.77%0.06626%0.26CS..Hα-helixtrans-56.5-49.4174.1179.1-102000111.8H294 G300 C350 P352 V399 I449 L450 A453H294-F297 WeakPolarHBondContact O-CB 3.33Å; H294-F297 PolarHBondContact O-N 3.37Å; F297-G300 PolarHBondContact O-N 3.05Å; F297-C350 WeakPolarHBondContact CE1-O 3.21Å; F297-P352 HydrophobicContact CE1-CB 4.49Å; F297-V399 HydrophobicContact CE1-CG1 3.85Å; F297-V399 HydrophobicContact CZ-CG1 3.78Å; F297-I449 HydrophobicContact CD1-CG2 4.09Å; F297-I449 HydrophobicContact CD2-CG2 3.6Å; F297-I449 VanDerWaalsContact CD2-O 3.23Å; F297-I449 WeakPolarHBondContact CD2-O 3.45Å; F297-I449 HydrophobicContact CE1-CG2 3.71Å; F297-I449 HydrophobicContact CE2-CB 4.44Å; F297-I449 HydrophobicContact CE2-CG2 3.19Å; F297-I449 WeakPolarHBondContact CE2-O 3.36Å; F297-I449 HydrophobicContact CG-CG2 4.05Å; F297-I449 HydrophobicContact CZ-CG2 3.25Å; F297-L450 HydrophobicContact CE2-CD2 4.41Å; F297-A453 HydrophobicContact CD2-CB 3.67Å; F297-A453 HydrophobicContact CE2-CB 3.78Å
298M87.3Confident87.3Confident0 Ų050.1 Ų50.10%026%0.257CS..Hα-helixtrans-72.4-31.3-179.9-69.3177.861.300113.9I290 H294 G300 N305 F319 L347 C350 L351I290-M298 HydrophobicContact CD1-CE 3.57Å; I290-M298 HydrophobicContact CD1-SD 3.93Å; I290-M298 HydrophobicContact CG1-SD 4.48Å; I290-M298 HydrophobicContact CG2-SD 3.72Å; H294-M298 WeakPolarHBondContact O-CB 3.35Å; H294-M298 VanDerWaalsContact O-CG 3.31Å; H294-M298 WeakPolarHBondContact O-CG 3.24Å; H294-M298 PolarHBondContact O-N 3.12Å; M298-G300 VanDerWaalsContact C-N 3.32Å; M298-N305 PolarHBondContact O-ND2 3.27Å; M298-F319 HydrophobicContact CB-CZ 4.48Å; M298-L347 HydrophobicContact CE-CB 3.81Å; M298-L347 HydrophobicContact CE-CD2 3.72Å; M298-L347 HydrophobicContact CE-CG 4.39Å; M298-L347 WeakPolarHBondContact CE-O 3.32Å; M298-C350 HydrophobicContact CE-CB 4.39Å; M298-C350 HydrophobicContact CG-CB 4.13Å; M298-L351 HydrophobicContact SD-CD2 3.82Å
299K85.8Confident87.4Confident68 Ų6849.8 Ų49.830%0.29626%0.256SS..Hα-helixtrans-65.3-36.9171.3-75.9171.7-176.5-176.40111.6H295 L296 G303 N305 I306 F319H295-K299 WeakPolarHBondContact O-CB 3.42Å; H295-K299 WeakPolarHBondContact O-CG 3.47Å; H295-K299 PolarHBondContact O-N 3.01Å; L296-K299 PolarHBondContact O-N 2.97Å; K299-G303 CarbonylContact O-C 3.44Å; K299-G303 VanDerWaalsContact O-C 3.23Å; K299-G303 VanDerWaalsContact O-CA 3.29Å; K299-G303 WeakPolarHBondContact O-CA 3.45Å; K299-N305 PolarHBondContact O-N 2.65Å; K299-I306 HydrophobicContact CB-CG2 4.41Å; K299-I306 HydrophobicContact CG-CG2 4.43Å; K299-I306 PolarHBondContact O-N 3.02Å; K299-F319 HydrophobicContact CD-CG 4.42Å; K299-F319 HydrophobicContact CG-CD1 4.46Å; K299-F319 HydrophobicContact CG-CD2 4.2Å; K299-F319 HydrophobicContact CG-CE1 4.29Å; K299-F319 HydrophobicContact CG-CE2 4.04Å; K299-F319 HydrophobicContact CG-CG 4.42Å; K299-F319 HydrophobicContact CG-CZ 4.08Å
300G84Confident87.6Confident10 Ų1050.4 Ų50.410%0.10326%0.26CS..  trans73.5171-173.100000112.7L296 F297 M298 N302 G303L296-G300 PolarHBondContact O-N 3.36Å; F297-G300 PolarHBondContact O-N 3.05Å; M298-G300 VanDerWaalsContact C-N 3.32Å; G300-N302 PolarHBondContact O-N 3.16Å; G300-G303 PolarHBondContact O-N 2.74Å; G300-G303 VanDerWaalsContact O-N 3.07Å
301R84.9Confident87.9Confident99 Ų9958.1 Ų58.137%0.37430%0.296SS..G310 helixtrans-55.8127.3179.5-60.6-177.3-164.3145.414.3110.3G303 S304 D448 S452R301-G303 PolarHBondContact O-N 2.98Å; R301-S304 VanDerWaalsContact O-CB 3.3Å; R301-S304 WeakPolarHBondContact O-CB 3.26Å; R301-S304 PolarHBondContact O-N 2.99Å; R301-S304 PolarHBondContact O-OG 2.95Å; R301-S304 VanDerWaalsContact O-OG 3.07Å; R301-D448 IonicContact CZ-OD1 3.18Å; R301-D448 IonicContact CZ-OD2 3.22Å; R301-D448 IonicContact NH1-OD1 3.96Å; R301-D448 PolarHBondContact NH1-OD1 2.8Å; R301-D448 IonicContact NH1-OD2 2.65Å; R301-D448 PolarHBondContact NH1-OD2 3.26Å; R301-D448 PolarHBondContact NH2-O 3.27Å; R301-D448 IonicContact NH2-OD1 2.66Å; R301-D448 PolarHBondContact NH2-OD1 2.73Å; R301-D448 IonicContact NH2-OD2 3.19Å; R301-S452 VanDerWaalsContact CG-OG 3.25Å; R301-S452 WeakPolarHBondContact CG-OG 3.24Å; R301-S452 PolarHBondContact NE-OG 3.41Å
302N82.9Confident88.3Confident157 Ų15762.5 Ų62.584%0.8431%0.311SS*.G310 helixtrans52.425.5-179.1-55.5-17.3000114.5G300 K307G300-N302 PolarHBondContact O-N 3.16Å; N302-K307 PolarHBondContact O-NZ 3.29Å
303G84.6Confident88.8Confident17 Ų1760.7 Ų60.718%0.17530%0.298CS..G310 helixtrans72.320.2-176.300000114.7K299 G300 R301 I306 K307K299-G303 CarbonylContact O-C 3.44Å; K299-G303 VanDerWaalsContact O-C 3.23Å; K299-G303 VanDerWaalsContact O-CA 3.29Å; K299-G303 WeakPolarHBondContact O-CA 3.45Å; G300-G303 PolarHBondContact O-N 2.74Å; G300-G303 VanDerWaalsContact O-N 3.07Å; R301-G303 PolarHBondContact O-N 2.98Å; G303-I306 WeakPolarHBondContact O-CG2 3.4Å; G303-I306 PolarHBondContact O-N 3.49Å; G303-K307 WeakPolarHBondContact O-CB 3.29Å; G303-K307 WeakPolarHBondContact O-CD 3.21Å; G303-K307 VanDerWaalsContact O-CG 3.22Å; G303-K307 WeakPolarHBondContact O-CG 3.29Å; G303-K307 PolarHBondContact O-N 2.81Å
304S89.6Confident89.2Confident62 Ų6257.7 Ų57.743%0.43430%0.3SS..Hα-helixtrans-58.7-50.5-175.658.90000113.3R301 I306 K307 H308R301-S304 VanDerWaalsContact O-CB 3.3Å; R301-S304 WeakPolarHBondContact O-CB 3.26Å; R301-S304 PolarHBondContact O-N 2.99Å; R301-S304 PolarHBondContact O-OG 2.95Å; R301-S304 VanDerWaalsContact O-OG 3.07Å; S304-I306 PolarHBondContact O-N 3.48Å; S304-K307 PolarHBondContact O-N 3.46Å; S304-H308 PolarHBondContact O-N 3.31Å
305N88.6Confident89.6Confident4 Ų456.2 Ų56.22%0.02129%0.293CS..Hα-helixtrans-64.1-41-178.9-174.862.4000111.2M298 K299 H308 I309 I449M298-N305 PolarHBondContact O-ND2 3.27Å; K299-N305 PolarHBondContact O-N 2.65Å; N305-H308 PolarHBondContact O-N 3.37Å; N305-I309 WeakPolarHBondContact O-CG1 3.42Å; N305-I309 PolarHBondContact O-N 2.78Å; N305-I449 HydrophobicContact CB-CD1 4.48Å
306I91.8Very high89.9Confident22 Ų2262 Ų6211%0.11332%0.32CS..Hα-helixtrans-70-38.4177.9-168.262.8000112.9K299 G303 S304 H308 I309 T310 I317 F319 L347K299-I306 HydrophobicContact CB-CG2 4.41Å; K299-I306 HydrophobicContact CG-CG2 4.43Å; K299-I306 PolarHBondContact O-N 3.02Å; G303-I306 WeakPolarHBondContact O-CG2 3.4Å; G303-I306 PolarHBondContact O-N 3.49Å; S304-I306 PolarHBondContact O-N 3.48Å; I306-H308 VanDerWaalsContact C-N 3.33Å; I306-H308 PolarHBondContact O-N 2.98Å; I306-I309 PolarHBondContact O-N 3.23Å; I306-T310 PolarHBondContact O-N 3.44Å; I306-I317 HydrophobicContact CD1-CB 3.87Å; I306-I317 HydrophobicContact CD1-CD1 3.48Å; I306-I317 VanDerWaalsContact CD1-CD1 3.48Å; I306-I317 HydrophobicContact CD1-CG1 4.27Å; I306-I317 HydrophobicContact CD1-CG2 3.8Å; I306-I317 HydrophobicContact CG1-CB 4.37Å; I306-F319 HydrophobicContact CD1-CE2 3.75Å; I306-F319 HydrophobicContact CD1-CZ 4.38Å; I306-F319 HydrophobicContact CG1-CE2 3.9Å; I306-L347 HydrophobicContact CD1-CD2 3.94Å
307K90.9Very high90.4Very high137 Ų13757 Ų5760%0.59629%0.294SS*.Hα-helixtrans-58.2-45.1172.2-75.4163.81801640111.2N302 G303 S304 T310 Q311N302-K307 PolarHBondContact O-NZ 3.29Å; G303-K307 WeakPolarHBondContact O-CB 3.29Å; G303-K307 WeakPolarHBondContact O-CD 3.21Å; G303-K307 VanDerWaalsContact O-CG 3.22Å; G303-K307 WeakPolarHBondContact O-CG 3.29Å; G303-K307 PolarHBondContact O-N 2.81Å; S304-K307 PolarHBondContact O-N 3.46Å; K307-T310 PolarHBondContact O-N 3.38Å; K307-Q311 VanDerWaalsContact O-CB 3.28Å; K307-Q311 WeakPolarHBondContact O-CB 3.29Å; K307-Q311 PolarHBondContact O-N 2.66Å
308H92.3Very high90.7Very high64 Ų6461.8 Ų61.830%0.29632%0.317SS..Hα-helixtrans-63.3-41.1176172.9-110.2000112.6S304 N305 I306 Q311 R312S304-H308 PolarHBondContact O-N 3.31Å; N305-H308 PolarHBondContact O-N 3.37Å; I306-H308 VanDerWaalsContact C-N 3.33Å; I306-H308 PolarHBondContact O-N 2.98Å; H308-Q311 PolarHBondContact O-N 2.78Å; H308-R312 WeakPolarHBondContact O-CB 3.02Å; H308-R312 PolarHBondContact O-N 3.08Å
309I93.7Very high90.8Very high2 Ų262.6 Ų62.61%0.0132%0.32CS..Hα-helixtrans-64-47.3175.5-65.1166.4000110.7N305 I306 Q311 R312 T313 I317 L347N305-I309 WeakPolarHBondContact O-CG1 3.42Å; N305-I309 PolarHBondContact O-N 2.78Å; I306-I309 PolarHBondContact O-N 3.23Å; I309-Q311 PolarHBondContact O-N 2.92Å; I309-R312 PolarHBondContact O-N 3.07Å; I309-T313 HydrophobicContact CG2-CG2 4.37Å; I309-T313 WeakPolarHBondContact O-CB 3.41Å; I309-T313 WeakPolarHBondContact O-CG2 3.44Å; I309-T313 PolarHBondContact O-N 2.95Å; I309-T313 PolarHBondContact O-OG1 2.79Å; I309-I317 HydrophobicContact CB-CD1 4.38Å; I309-I317 HydrophobicContact CG2-CD1 3.67Å; I309-L347 HydrophobicContact CD1-CD2 4.12Å
310T93.4Very high90.7Very high39 Ų3960.2 Ų60.224%0.23931%0.312CS..Hα-helixtrans-60.4-44.4175.9-78.50000111.6I306 K307 R312 T313 G314 A315I306-T310 PolarHBondContact O-N 3.44Å; K307-T310 PolarHBondContact O-N 3.38Å; T310-R312 PolarHBondContact O-N 3.31Å; T310-T313 PolarHBondContact O-N 3.17Å; T310-G314 WeakPolarHBondContact O-CA 3.45Å; T310-G314 PolarHBondContact O-N 3.37Å; T310-A315 WeakPolarHBondContact CB-O 3.45Å; T310-A315 WeakPolarHBondContact CG2-O 3.26Å; T310-A315 PolarHBondContact OG1-O 3.43Å
311Q94.7Very high90.1Very high164 Ų16465.2 Ų65.277%0.76634%0.336SS*.Hα-helixtrans-62.1-42.6176.7-175.2-178.27.600112.6K307 H308 I309 T313K307-Q311 VanDerWaalsContact O-CB 3.28Å; K307-Q311 WeakPolarHBondContact O-CB 3.29Å; K307-Q311 PolarHBondContact O-N 2.66Å; H308-Q311 PolarHBondContact O-N 2.78Å; I309-Q311 PolarHBondContact O-N 2.92Å; Q311-T313 VanDerWaalsContact C-N 3.35Å
312R94.8Very high89.2Confident103 Ų10364.9 Ų64.939%0.38935%0.346SS..Hα-helixtrans-77.7-17.1-177-169.5173.6-178.1115.3-1.1113.8H308 I309 T310 Y346H308-R312 WeakPolarHBondContact O-CB 3.02Å; H308-R312 PolarHBondContact O-N 3.08Å; I309-R312 PolarHBondContact O-N 3.07Å; T310-R312 PolarHBondContact O-N 3.31Å; R312-Y346 PolarHBondContact NE-OH 3.28Å
313T95.8Very high88.2Confident15 Ų1564.8 Ų64.89%0.09235%0.346CS..Hα-helixtrans-116.1-21.7-176.461.50000114.3I309 T310 Q311 A315 S339 L342 A343 Y346I309-T313 HydrophobicContact CG2-CG2 4.37Å; I309-T313 WeakPolarHBondContact O-CB 3.41Å; I309-T313 WeakPolarHBondContact O-CG2 3.44Å; I309-T313 PolarHBondContact O-N 2.95Å; I309-T313 PolarHBondContact O-OG1 2.79Å; T310-T313 PolarHBondContact O-N 3.17Å; Q311-T313 VanDerWaalsContact C-N 3.35Å; T313-A315 PolarHBondContact O-N 3.27Å; T313-A315 PolarHBondContact OG1-N 2.96Å; T313-S339 WeakPolarHBondContact O-CA 3.42Å; T313-S339 WeakPolarHBondContact O-CB 3.38Å; T313-L342 HydrophobicContact CG2-CB 4.33Å; T313-L342 HydrophobicContact CG2-CD2 3.99Å; T313-L342 HydrophobicContact CG2-CG 3.89Å; T313-A343 HydrophobicContact CG2-CB 4.22Å; T313-Y346 HydrophobicContact CG2-CD2 3.73Å; T313-Y346 HydrophobicContact CG2-CE2 4.06Å
314G94.2Very high87.2Confident59 Ų5965 Ų6561%0.60835%0.348SS*.  trans75.52.5-170.800000114.5T310T310-G314 WeakPolarHBondContact O-CA 3.45Å; T310-G314 PolarHBondContact O-N 3.37Å
315A95.8Very high85.5Confident0 Ų068.8 Ų68.80%037%0.371CS..  trans-89135-17900000112.4T310 T313 I333 A343T310-A315 WeakPolarHBondContact CB-O 3.45Å; T310-A315 WeakPolarHBondContact CG2-O 3.26Å; T310-A315 PolarHBondContact OG1-O 3.43Å; T313-A315 PolarHBondContact O-N 3.27Å; T313-A315 PolarHBondContact OG1-N 2.96Å; A315-I333 HydrophobicContact CB-CG2 3.96Å; A315-A343 HydrophobicContact CB-CB 3.64Å
316Q94.6Very high84Confident136 Ų13675.4 Ų75.464%0.63640%0.402SS*.EExtended strand (participates in β ladder)trans-75129.9167.1-63.6-68.87.500109.3I333 Q334Q316-I333 CarbonylContact O-C 3.55Å; Q316-I333 WeakPolarHBondContact O-CA 3.23Å; Q316-Q334 PolarHBondContact N-O 3.43Å; Q316-Q334 PolarHBondContact O-N 2.8Å
317I94.3Very high82.5Confident23 Ų2380.6 Ų80.612%0.11842%0.423CS..EExtended strand (participates in β ladder)trans-126115.6-176.8-55.1162.1000109.9I306 I309 F319 V331 Y332 I333 A343 L347I306-I317 HydrophobicContact CD1-CB 3.87Å; I306-I317 HydrophobicContact CD1-CD1 3.48Å; I306-I317 VanDerWaalsContact CD1-CD1 3.48Å; I306-I317 HydrophobicContact CD1-CG1 4.27Å; I306-I317 HydrophobicContact CD1-CG2 3.8Å; I306-I317 HydrophobicContact CG1-CB 4.37Å; I309-I317 HydrophobicContact CB-CD1 4.38Å; I309-I317 HydrophobicContact CG2-CD1 3.67Å; I317-F319 HydrophobicContact CG2-CD2 4.26Å; I317-F319 HydrophobicContact CG2-CE2 3.88Å; I317-V331 HydrophobicContact CG2-CG1 3.78Å; I317-Y332 WeakPolarHBondContact CA-O 3.39Å; I317-I333 HydrophobicContact CG1-CG1 4.36Å; I317-I333 HydrophobicContact CG1-CG2 4.21Å; I317-I333 HydrophobicContact CG2-CG1 4.19Å; I317-A343 HydrophobicContact CD1-CB 4.18Å; I317-L347 HydrophobicContact CD1-CD1 4.14Å; I317-L347 HydrophobicContact CG2-CD1 4.06Å
318H90.6Very high81.4Confident117 Ų11779.2 Ų79.254%0.54242%0.418SS..EExtended strand (participates in β ladder)trans-111.4112.1-176.1-169.8-79.8000110.9Y332H318-Y332 PolarHBondContact N-O 2.66Å; H318-Y332 PolarHBondContact O-N 3.05Å
319F88.9Confident80.9Confident16 Ų1677.7 Ų77.77%0.0741%0.414CS..PPolyproline II helixtrans-84.1144.2171.1-73.9-104.8000110H295 M298 K299 I306 I317 V331 L347H295-F319 HydrophobicContact CB-CD1 3.98Å; H295-F319 HydrophobicContact CB-CE1 4.18Å; H295-F319 AromaticContact CG-CD1 3.76Å; H295-F319 AromaticContact ND1-CD1 3.64Å; M298-F319 HydrophobicContact CB-CZ 4.48Å; K299-F319 HydrophobicContact CD-CG 4.42Å; K299-F319 HydrophobicContact CG-CD1 4.46Å; K299-F319 HydrophobicContact CG-CD2 4.2Å; K299-F319 HydrophobicContact CG-CE1 4.29Å; K299-F319 HydrophobicContact CG-CE2 4.04Å; K299-F319 HydrophobicContact CG-CG 4.42Å; K299-F319 HydrophobicContact CG-CZ 4.08Å; I306-F319 HydrophobicContact CD1-CE2 3.75Å; I306-F319 HydrophobicContact CD1-CZ 4.38Å; I306-F319 HydrophobicContact CG1-CE2 3.9Å; I317-F319 HydrophobicContact CG2-CD2 4.26Å; I317-F319 HydrophobicContact CG2-CE2 3.88Å; F319-V331 HydrophobicContact CD1-CB 4.47Å; F319-V331 HydrophobicContact CD1-CG1 4.17Å; F319-V331 HydrophobicContact CD1-CG2 3.43Å; F319-V331 VanDerWaalsContact CD1-CG2 3.43Å; F319-V331 HydrophobicContact CD2-CG1 4.11Å; F319-V331 HydrophobicContact CE1-CG1 4.22Å; F319-V331 HydrophobicContact CE1-CG2 3.61Å; F319-V331 HydrophobicContact CE2-CG1 4.14Å; F319-V331 HydrophobicContact CG-CG1 4.12Å; F319-V331 HydrophobicContact CG-CG2 4.09Å; F319-V331 HydrophobicContact CZ-CG1 4.2Å; F319-V331 HydrophobicContact CZ-CG2 4.37Å; F319-L347 HydrophobicContact CZ-CD2 4.36Å
320P83.6Confident80.6Confident19 Ų1977.7 Ų77.712%0.12341%0.414CS..PPolyproline II helixtrans-68.7147.2177.830.6-34.5000111K328 T330P320-K328 WeakPolarHBondContact CG-O 3.15Å; P320-T330 WeakPolarHBondContact CD-O 3.4Å; P320-T330 WeakPolarHBondContact CG-O 3.28Å
321D73.3Confident80.5Confident115 Ų11575.9 Ų75.962%0.61540%0.403SS*.PPolyproline II helixtrans-68.7134175.1-76.6-51.6000111.4N323 G324D321-N323 PolarHBondContact O-N 3.13Å; D321-N323 VanDerWaalsContact O-N 3.15Å; D321-G324 PolarHBondContact O-N 3.39Å
322P64.3Low80.4Confident91 Ų9172.8 Ų72.859%0.59139%0.385SS*.THydrogen-bonded Turntrans-63.9-23.7-17926.5-34.8000112.9K328P322-K328 PolarHBondContact O-NZ 3.35Å
323N62.8Low80.5Confident156 Ų15667.9 Ų67.983%0.83437%0.366SS*.THydrogen-bonded Turntrans-90.7-4.5177.8-66.2-4.3000113.3D321D321-N323 PolarHBondContact O-N 3.13Å; D321-N323 VanDerWaalsContact O-N 3.15Å
324G63.5Low80.4Confident20 Ų2071.6 Ų71.621%0.20638%0.383CS..  trans-72.6153.8-178.200000113.8D321 Q326D321-G324 PolarHBondContact O-N 3.39Å; G324-Q326 VanDerWaalsContact C-N 3.3Å
325P54.9Low80.5Confident143 Ų14369.5 Ų69.593%0.92936%0.362SS*.SBendtrans-81.3-6.4173.833.8-36.2000113.6
326Q56Low80.4Confident142 Ų14273.6 Ų73.666%0.66439%0.387SS*.SBendtrans-86.7174.5178-84.3-74.7-7.100112.3G324 K328G324-Q326 VanDerWaalsContact C-N 3.3Å; Q326-K328 PolarHBondContact O-N 3.07Å
327K59.4Low80.4Confident131 Ų13168.6 Ų68.657%0.5736%0.364SS*.  trans-53.5102.2-175.6-62.2-176.8-178.3-176.60113.1S329 T330K327-S329 PolarHBondContact O-N 2.99Å; K327-T330 WeakPolarHBondContact CB-OG1 3.36Å; K327-T330 VanDerWaalsContact CD-OG1 3.31Å; K327-T330 WeakPolarHBondContact CD-OG1 3.38Å; K327-T330 PolarHBondContact O-N 3.37Å
328K68.9Low80.4Confident109 Ų10972.6 Ų72.647%0.47438%0.382SS..THydrogen-bonded Turntrans-61.1-15.9-177.4-55.4-162.4177.5-1530115P292 H295 P320 P322 Q326P292-K328 HydrophobicContact CG-CB 4.13Å; H295-K328 PolarHBondContact CE1-O 3.29Å; P320-K328 WeakPolarHBondContact CG-O 3.15Å; P322-K328 PolarHBondContact O-NZ 3.35Å; Q326-K328 PolarHBondContact O-N 3.07Å
329S80.8Confident80.6Confident32 Ų3267.3 Ų67.322%0.22436%0.359CS..THydrogen-bonded Turntrans-96-24.2-177.6-51.70000114.4D289 I290 H295 K327 V331D289-S329 VanDerWaalsContact OD1-CB 3.25Å; D289-S329 WeakPolarHBondContact OD1-CB 3.49Å; I290-S329 PolarHBondContact N-O 3.47Å; I290-S329 CarbonylContact O-C 3.56Å; I290-S329 WeakPolarHBondContact O-CA 3.36Å; I290-S329 VanDerWaalsContact O-CB 3.24Å; I290-S329 WeakPolarHBondContact O-CB 3.36Å; H295-S329 PolarHBondContact NE2-O 2.85Å; K327-S329 PolarHBondContact O-N 2.99Å; S329-V331 PolarHBondContact O-N 3.46Å
330T88.6Confident80.9Confident2 Ų266.6 Ų66.61%0.01236%0.355CS..EExtended strand (participates in β ladder)trans-90.2111.7-164.1-52.50000111.6H287 D289 P320 K327 Y332H287-T330 HydrophobicContact CB-CG2 3.82Å; D289-T330 PolarHBondContact OD1-OG1 2.87Å; P320-T330 WeakPolarHBondContact CD-O 3.4Å; P320-T330 WeakPolarHBondContact CG-O 3.28Å; K327-T330 WeakPolarHBondContact CB-OG1 3.36Å; K327-T330 VanDerWaalsContact CD-OG1 3.31Å; K327-T330 WeakPolarHBondContact CD-OG1 3.38Å; K327-T330 PolarHBondContact O-N 3.37Å; T330-Y332 HydrophobicContact CG2-CE2 4.22Å; T330-Y332 WeakPolarHBondContact O-CE2 3.42Å
331V91.4Very high81.5Confident0 Ų066.2 Ų66.20%035%0.353CS..EExtended strand (participates in β ladder)trans-89.7138.2176-177.60000109.7H287 L288 I290 I317 F319 S329H287-V331 CarbonylContact C-O 3.51Å; H287-V331 VanDerWaalsContact CA-O 3.25Å; H287-V331 WeakPolarHBondContact CA-O 3.16Å; L288-V331 PolarHBondContact N-O 2.78Å; L288-V331 PolarHBondContact O-N 2.95Å; I290-V331 HydrophobicContact CD1-CB 4.23Å; I290-V331 HydrophobicContact CD1-CG2 3.79Å; I317-V331 HydrophobicContact CG2-CG1 3.78Å; F319-V331 HydrophobicContact CD1-CB 4.47Å; F319-V331 HydrophobicContact CD1-CG1 4.17Å; F319-V331 HydrophobicContact CD1-CG2 3.43Å; F319-V331 VanDerWaalsContact CD1-CG2 3.43Å; F319-V331 HydrophobicContact CD2-CG1 4.11Å; F319-V331 HydrophobicContact CE1-CG1 4.22Å; F319-V331 HydrophobicContact CE1-CG2 3.61Å; F319-V331 HydrophobicContact CE2-CG1 4.14Å; F319-V331 HydrophobicContact CG-CG1 4.12Å; F319-V331 HydrophobicContact CG-CG2 4.09Å; F319-V331 HydrophobicContact CZ-CG1 4.2Å; F319-V331 HydrophobicContact CZ-CG2 4.37Å; S329-V331 PolarHBondContact O-N 3.46Å
332Y92.4Very high82.5Confident99 Ų9963.7 Ų63.739%0.38834%0.339SS..EExtended strand (participates in β ladder)trans-107.1142.6179.5-64.3-94.3000110.5T285 H287 I317 H318 T330T285-Y332 HydrophobicContact CG2-CD1 4.37Å; H287-Y332 HydrophobicContact CB-CD1 4.3Å; H287-Y332 HydrophobicContact CB-CE1 4.42Å; I317-Y332 WeakPolarHBondContact CA-O 3.39Å; H318-Y332 PolarHBondContact N-O 2.66Å; H318-Y332 PolarHBondContact O-N 3.05Å; T330-Y332 HydrophobicContact CG2-CE2 4.22Å; T330-Y332 WeakPolarHBondContact O-CE2 3.42Å
333I95.6Very high84Confident0 Ų059.4 Ų59.40%031%0.311CS..EExtended strand (participates in β ladder)trans-135.5123.3-177.2-54.9162.1000107.3T285 T286 A315 Q316 I317 V340 A343 R344 L347T285-I333 CarbonylContact C-O 3.23Å; T285-I333 VanDerWaalsContact CA-O 3.26Å; T285-I333 WeakPolarHBondContact CA-O 3.32Å; T286-I333 HydrophobicContact CG2-CB 3.97Å; T286-I333 HydrophobicContact CG2-CD1 3.92Å; T286-I333 HydrophobicContact CG2-CG1 4.44Å; T286-I333 PolarHBondContact N-O 2.8Å; T286-I333 PolarHBondContact O-N 3.03Å; A315-I333 HydrophobicContact CB-CG2 3.96Å; Q316-I333 CarbonylContact O-C 3.55Å; Q316-I333 WeakPolarHBondContact O-CA 3.23Å; I317-I333 HydrophobicContact CG1-CG1 4.36Å; I317-I333 HydrophobicContact CG1-CG2 4.21Å; I317-I333 HydrophobicContact CG2-CG1 4.19Å; I333-V340 HydrophobicContact CG2-CG1 4.28Å; I333-V340 HydrophobicContact CG2-CG2 4.44Å; I333-A343 HydrophobicContact CG2-CB 3.76Å; I333-R344 HydrophobicContact CD1-CB 4.02Å; I333-R344 HydrophobicContact CD1-CG 4.5Å; I333-L347 HydrophobicContact CD1-CD1 3.44Å; I333-L347 VanDerWaalsContact CD1-CD1 3.44Å; I333-L347 HydrophobicContact CG1-CD1 3.84Å
334Q95.2Very high85.5Confident93 Ų9352.2 Ų52.244%0.43527%0.273SS..EExtended strand (participates in β ladder)trans-128.5139.7-173.8-175.3178.6-1.800111.9S283 I284 Q316S283-Q334 PolarHBondContact OG-NE2 2.81Å; I284-Q334 CarbonylContact O-C 3.5Å; I284-Q334 VanDerWaalsContact O-CA 3.23Å; I284-Q334 WeakPolarHBondContact O-CA 3.34Å; Q316-Q334 PolarHBondContact N-O 3.43Å; Q316-Q334 PolarHBondContact O-N 2.8Å
335G94.8Very high86.9Confident16 Ų1657.4 Ų57.417%0.16529%0.291CS..EExtended strand (participates in β ladder)trans163.5-154-178.600000113.1I284 V340I284-G335 PolarHBondContact N-O 3.41Å; I284-G335 PolarHBondContact O-N 2.83Å; G335-V340 VanDerWaalsContact N-CG2 3.26Å
336T94.9Very high88.8Confident86 Ų8654 Ų5453%0.52826%0.26SS..  trans-72.9159.216966.90000111.7E338 S339 V340T336-E338 PolarHBondContact O-N 2.71Å; T336-S339 PolarHBondContact N-OG 3.04Å; T336-S339 PolarHBondContact O-N 3.11Å; T336-S339 VanDerWaalsContact O-N 3.15Å; T336-S339 PolarHBondContact O-OG 2.9Å; T336-S339 WeakPolarHBondContact OG1-CB 3.29Å; T336-S339 PolarHBondContact OG1-N 2.88Å; T336-S339 PolarHBondContact OG1-OG 3.38Å; T336-S339 VanDerWaalsContact OG1-OG 3.06Å; T336-V340 WeakPolarHBondContact O-CB 3.5Å; T336-V340 VanDerWaalsContact O-CG2 3.23Å; T336-V340 WeakPolarHBondContact O-CG2 3.42Å; T336-V340 PolarHBondContact O-N 3.44Å
337I94.1Very high90.6Very high31 Ų3147.2 Ų47.216%0.15923%0.229CC..Hα-helixtrans-47.1-47.6174.8-58.6167.3000111.6K264 T267 A268 L271 I284 C341K264-I337 HydrophobicContact CB-CG2 4.01Å; K264-I337 HydrophobicContact CG-CG2 3.85Å; T267-I337 HydrophobicContact CG2-CD1 3.91Å; T267-I337 HydrophobicContact CG2-CG1 4.01Å; A268-I337 HydrophobicContact CB-CD1 3.8Å; L271-I337 HydrophobicContact CD1-CD1 4.01Å; L271-I337 HydrophobicContact CD1-CG1 4.44Å; I284-I337 HydrophobicContact CD1-CG1 4.25Å; I284-I337 HydrophobicContact CG1-CG1 3.7Å; I337-C341 PolarHBondContact O-N 3.35Å
338E94.3Very high92.2Very high106 Ų10641.8 Ų41.850%0.49521%0.206SC..Hα-helixtrans-59.6-58.1176.8-76.1-57.3123.500112.4K264 T336 V340 C341 L342K264-E338 WeakPolarHBondContact CD-OE1 3.48Å; K264-E338 VanDerWaalsContact CE-OE1 3.23Å; K264-E338 WeakPolarHBondContact CE-OE1 3.32Å; K264-E338 IonicContact NZ-OE1 2.85Å; K264-E338 PolarHBondContact NZ-OE1 2.88Å; K264-E338 IonicContact NZ-OE2 2.88Å; K264-E338 PolarHBondContact NZ-OE2 2.86Å; T336-E338 PolarHBondContact O-N 2.71Å; E338-V340 VanDerWaalsContact C-N 3.28Å; E338-V340 PolarHBondContact O-N 2.8Å; E338-C341 PolarHBondContact O-N 2.9Å; E338-L342 VanDerWaalsContact O-CB 3.31Å; E338-L342 WeakPolarHBondContact O-CB 3.4Å; E338-L342 PolarHBondContact O-N 2.98Å
339S95.3Very high93.3Very high7 Ų737.2 Ų37.25%0.04919%0.19CC..Hα-helixtrans-58.7-38.8-175.865.50000112.8T313 T336 L342 A343T313-S339 WeakPolarHBondContact O-CA 3.42Å; T313-S339 WeakPolarHBondContact O-CB 3.38Å; T336-S339 PolarHBondContact N-OG 3.04Å; T336-S339 PolarHBondContact O-N 3.11Å; T336-S339 VanDerWaalsContact O-N 3.15Å; T336-S339 PolarHBondContact O-OG 2.9Å; T336-S339 WeakPolarHBondContact OG1-CB 3.29Å; T336-S339 PolarHBondContact OG1-N 2.88Å; T336-S339 PolarHBondContact OG1-OG 3.38Å; T336-S339 VanDerWaalsContact OG1-OG 3.06Å; S339-L342 PolarHBondContact O-N 3.32Å; S339-A343 WeakPolarHBondContact O-CB 3.25Å; S339-A343 PolarHBondContact O-N 3.49Å
340V95.4Very high93.9Very high0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-72.4-44.4-175.7172.60000111.2L210 I284 T286 I333 G335 T336 E338 R344L210-V340 HydrophobicContact CD2-CG1 4.17Å; I284-V340 HydrophobicContact CB-CG2 4.4Å; I284-V340 WeakPolarHBondContact O-CG2 3.18Å; T286-V340 HydrophobicContact CG2-CG1 3.42Å; T286-V340 VanDerWaalsContact CG2-CG1 3.42Å; I333-V340 HydrophobicContact CG2-CG1 4.28Å; I333-V340 HydrophobicContact CG2-CG2 4.44Å; G335-V340 VanDerWaalsContact N-CG2 3.26Å; T336-V340 WeakPolarHBondContact O-CB 3.5Å; T336-V340 VanDerWaalsContact O-CG2 3.23Å; T336-V340 WeakPolarHBondContact O-CG2 3.42Å; T336-V340 PolarHBondContact O-N 3.44Å; E338-V340 VanDerWaalsContact C-N 3.28Å; E338-V340 PolarHBondContact O-N 2.8Å; V340-R344 WeakPolarHBondContact O-CB 3.38Å; V340-R344 PolarHBondContact O-N 3.12Å; V340-R344 VanDerWaalsContact O-N 3.09Å
341C94.7Very high94.1Very high12 Ų1236 Ų368%0.08118%0.181CC..Hα-helixtrans-62.6-43.6172.5-75.30000111.6V260 I337 E338 R344 Q345V260-C341 HydrophobicContact CG1-CB 4.46Å; I337-C341 PolarHBondContact O-N 3.35Å; E338-C341 PolarHBondContact O-N 2.9Å; C341-R344 PolarHBondContact O-N 3Å; C341-Q345 PolarHBondContact O-N 3.45Å; C341-Q345 VanDerWaalsContact O-N 3.13Å
342L95.1Very high94.2Very high62 Ų6237.6 Ų37.633%0.32519%0.191SC..Hα-helixtrans-67.5-45.2-178.4-171.762.9000111.9T313 E338 S339 R344 Q345 Y346T313-L342 HydrophobicContact CG2-CB 4.33Å; T313-L342 HydrophobicContact CG2-CD2 3.99Å; T313-L342 HydrophobicContact CG2-CG 3.89Å; E338-L342 VanDerWaalsContact O-CB 3.31Å; E338-L342 WeakPolarHBondContact O-CB 3.4Å; E338-L342 PolarHBondContact O-N 2.98Å; S339-L342 PolarHBondContact O-N 3.32Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 3.33Å; L342-Q345 WeakPolarHBondContact O-CB 3.37Å; L342-Q345 PolarHBondContact O-N 3.11Å; L342-Q345 VanDerWaalsContact O-N 3.13Å; L342-Y346 HydrophobicContact CD1-CD2 4.18Å; L342-Y346 HydrophobicContact CD1-CE2 3.75Å; L342-Y346 HydrophobicContact CD2-CE2 4.27Å; L342-Y346 HydrophobicContact CG-CD2 3.97Å; L342-Y346 HydrophobicContact CG-CE2 3.75Å; L342-Y346 WeakPolarHBondContact O-CD2 3.21Å; L342-Y346 PolarHBondContact O-N 2.72Å
343A95.8Very high94.4Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-61.7-39.8175.500000112.4T313 A315 I317 I333 S339 Q345 Y346 L347T313-A343 HydrophobicContact CG2-CB 4.22Å; A315-A343 HydrophobicContact CB-CB 3.64Å; I317-A343 HydrophobicContact CD1-CB 4.18Å; I333-A343 HydrophobicContact CG2-CB 3.76Å; S339-A343 WeakPolarHBondContact O-CB 3.25Å; S339-A343 PolarHBondContact O-N 3.49Å; A343-Q345 VanDerWaalsContact C-N 3.31Å; A343-Q345 PolarHBondContact O-N 3.22Å; A343-Y346 PolarHBondContact O-N 3.36Å; A343-L347 WeakPolarHBondContact O-CB 3.08Å; A343-L347 WeakPolarHBondContact O-CD1 3.36Å; A343-L347 VanDerWaalsContact O-CG 3.27Å; A343-L347 WeakPolarHBondContact O-CG 3.34Å; A343-L347 PolarHBondContact O-N 2.74Å
344R94Very high94.5Very high6 Ų634.4 Ų34.42%0.02318%0.182CC..Hα-helixtrans-59.1-42.3172.7-171.7177.3-178.2-105.25.2111.3E146 P207 T286 L288 I333 V340 C341 L342 L347 M348E146-R344 IonicContact OE1-NH2 3.05Å; P207-R344 PolarHBondContact O-NH2 3.31Å; T286-R344 HydrophobicContact CG2-CB 4.43Å; L288-R344 HydrophobicContact CD1-CG 4.49Å; L288-R344 HydrophobicContact CD2-CG 4.28Å; I333-R344 HydrophobicContact CD1-CB 4.02Å; I333-R344 HydrophobicContact CD1-CG 4.5Å; V340-R344 WeakPolarHBondContact O-CB 3.38Å; V340-R344 PolarHBondContact O-N 3.12Å; V340-R344 VanDerWaalsContact O-N 3.09Å; C341-R344 PolarHBondContact O-N 3Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 3.33Å; R344-L347 PolarHBondContact O-N 3Å; R344-M348 HydrophobicContact CG-SD 3.96Å; R344-M348 WeakPolarHBondContact O-CB 3.29Å; R344-M348 VanDerWaalsContact O-CG 3.27Å; R344-M348 WeakPolarHBondContact O-CG 3.31Å; R344-M348 PolarHBondContact O-N 3.04Å
345Q93.7Very high94.6Very high128 Ų12830 Ų3060%0.59816%0.161SC*.Hα-helixtrans-64.1-46.2176.2-176.8178.1-10.700112.5C341 L342 A343 L347 M348 G349C341-Q345 PolarHBondContact O-N 3.45Å; C341-Q345 VanDerWaalsContact O-N 3.13Å; L342-Q345 WeakPolarHBondContact O-CB 3.37Å; L342-Q345 PolarHBondContact O-N 3.11Å; L342-Q345 VanDerWaalsContact O-N 3.13Å; A343-Q345 VanDerWaalsContact C-N 3.31Å; A343-Q345 PolarHBondContact O-N 3.22Å; Q345-L347 VanDerWaalsContact C-N 3.34Å; Q345-L347 PolarHBondContact O-N 2.95Å; Q345-M348 PolarHBondContact O-N 3.48Å; Q345-G349 PolarHBondContact O-N 3.4Å
346Y93.9Very high94.6Very high71 Ų7131.8 Ų31.828%0.27817%0.166SC..Hα-helixtrans-62-39.8176-83.9-79.1000112.5R312 T313 L342 A343 G349 C350R312-Y346 PolarHBondContact NE-OH 3.28Å; T313-Y346 HydrophobicContact CG2-CD2 3.73Å; T313-Y346 HydrophobicContact CG2-CE2 4.06Å; L342-Y346 HydrophobicContact CD1-CD2 4.18Å; L342-Y346 HydrophobicContact CD1-CE2 3.75Å; L342-Y346 HydrophobicContact CD2-CE2 4.27Å; L342-Y346 HydrophobicContact CG-CD2 3.97Å; L342-Y346 HydrophobicContact CG-CE2 3.75Å; L342-Y346 WeakPolarHBondContact O-CD2 3.21Å; L342-Y346 PolarHBondContact O-N 2.72Å; A343-Y346 PolarHBondContact O-N 3.36Å; Y346-G349 PolarHBondContact O-N 3.04Å; Y346-C350 PolarHBondContact O-N 3.23Å; Y346-C350 PolarHBondContact O-SG 3.36Å
347L93.9Very high94.6Very high0 Ų027.9 Ų27.90%014%0.141CC..Hα-helixtrans-66.9-45176.7-71.9164.3000111.9L288 M298 I306 I309 I317 F319 I333 A343 R344 Q345 G349 C350L288-L347 HydrophobicContact CD2-CB 4.01Å; M298-L347 HydrophobicContact CE-CB 3.81Å; M298-L347 HydrophobicContact CE-CD2 3.72Å; M298-L347 HydrophobicContact CE-CG 4.39Å; M298-L347 WeakPolarHBondContact CE-O 3.32Å; I306-L347 HydrophobicContact CD1-CD2 3.94Å; I309-L347 HydrophobicContact CD1-CD2 4.12Å; I317-L347 HydrophobicContact CD1-CD1 4.14Å; I317-L347 HydrophobicContact CG2-CD1 4.06Å; F319-L347 HydrophobicContact CZ-CD2 4.36Å; I333-L347 HydrophobicContact CD1-CD1 3.44Å; I333-L347 VanDerWaalsContact CD1-CD1 3.44Å; I333-L347 HydrophobicContact CG1-CD1 3.84Å; A343-L347 WeakPolarHBondContact O-CB 3.08Å; A343-L347 WeakPolarHBondContact O-CD1 3.36Å; A343-L347 VanDerWaalsContact O-CG 3.27Å; A343-L347 WeakPolarHBondContact O-CG 3.34Å; A343-L347 PolarHBondContact O-N 2.74Å; R344-L347 PolarHBondContact O-N 3Å; Q345-L347 VanDerWaalsContact C-N 3.34Å; Q345-L347 PolarHBondContact O-N 2.95Å; L347-G349 VanDerWaalsContact C-N 3.31Å; L347-G349 PolarHBondContact O-N 2.95Å; L347-C350 WeakPolarHBondContact O-CB 3.49Å; L347-C350 PolarHBondContact O-N 3.27Å
348M92.8Very high94.5Very high18 Ų1829.1 Ų29.19%0.08915%0.148CC..Hα-helixtrans-61.1-40.8174.4-70.7172.968.500111.5L206 L288 R344 Q345 C350 L351L206-M348 HydrophobicContact CD1-CE 3.69Å; L288-M348 HydrophobicContact CD1-CG 4Å; L288-M348 HydrophobicContact CD1-SD 4.18Å; L288-M348 HydrophobicContact CD2-CG 3.67Å; R344-M348 HydrophobicContact CG-SD 3.96Å; R344-M348 WeakPolarHBondContact O-CB 3.29Å; R344-M348 VanDerWaalsContact O-CG 3.27Å; R344-M348 WeakPolarHBondContact O-CG 3.31Å; R344-M348 PolarHBondContact O-N 3.04Å; Q345-M348 PolarHBondContact O-N 3.48Å; M348-C350 PolarHBondContact O-N 3.2Å; M348-C350 VanDerWaalsContact O-N 3.12Å; M348-L351 HydrophobicContact CB-CD1 4.47Å; M348-L351 VanDerWaalsContact O-CB 3.29Å; M348-L351 WeakPolarHBondContact O-CB 3.43Å; M348-L351 WeakPolarHBondContact O-CG 3.44Å; M348-L351 PolarHBondContact O-N 3.27Å
349G93.6Very high94.2Very high13 Ų1324.3 Ų24.313%0.13413%0.126CC..THydrogen-bonded Turntrans-62.8-13.6173.100000115Q345 Y346 L347 E400 R401Q345-G349 PolarHBondContact O-N 3.4Å; Y346-G349 PolarHBondContact O-N 3.04Å; L347-G349 VanDerWaalsContact C-N 3.31Å; L347-G349 PolarHBondContact O-N 2.95Å; G349-E400 PolarHBondContact O-N 3.11Å; G349-R401 WeakPolarHBondContact O-CB 3.39Å; G349-R401 VanDerWaalsContact O-CG 3.31Å; G349-R401 WeakPolarHBondContact O-CG 3.14Å; G349-R401 PolarHBondContact O-N 3.36Å
350C93.1Very high93.7Very high1 Ų127.9 Ų27.91%0.00714%0.141CC..THydrogen-bonded Turntrans-95.14.6172.4-60.80000113.5F297 M298 Y346 L347 M348F297-C350 WeakPolarHBondContact CE1-O 3.21Å; M298-C350 HydrophobicContact CE-CB 4.39Å; M298-C350 HydrophobicContact CG-CB 4.13Å; Y346-C350 PolarHBondContact O-N 3.23Å; Y346-C350 PolarHBondContact O-SG 3.36Å; L347-C350 WeakPolarHBondContact O-CB 3.49Å; L347-C350 PolarHBondContact O-N 3.27Å; M348-C350 PolarHBondContact O-N 3.2Å; M348-C350 VanDerWaalsContact O-N 3.12Å
351L93.2Very high93Very high8 Ų832.3 Ų32.34%0.04216%0.161CC..SBendtrans-72.1147.7172.7-67.5171.2000110.7I290 M298 M348 V399 E400I290-L351 HydrophobicContact CG1-CD2 4.46Å; I290-L351 HydrophobicContact CG2-CD2 4.1Å; M298-L351 HydrophobicContact SD-CD2 3.82Å; M348-L351 HydrophobicContact CB-CD1 4.47Å; M348-L351 VanDerWaalsContact O-CB 3.29Å; M348-L351 WeakPolarHBondContact O-CB 3.43Å; M348-L351 WeakPolarHBondContact O-CG 3.44Å; M348-L351 PolarHBondContact O-N 3.27Å; L351-V399 CarbonylContact O-C 3.52Å; L351-V399 WeakPolarHBondContact O-CA 3.48Å; L351-E400 PolarHBondContact O-N 3.25Å
352P93.5Very high92.2Very high33 Ų3337.5 Ų37.521%0.21419%0.188CC..EExtended strand (participates in β ladder)trans-72.5141.6-179.630-35.1000111.9F297F297-P352 HydrophobicContact CE1-CB 4.49Å
353L95.6Very high91.6Very high1 Ų137.1 Ų37.11%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-128.8139.5178.4-16370.9000109.6L138 M140 K397 S398 A403 M406L138-L353 HydrophobicContact CD1-CD1 4.17Å; L138-L353 HydrophobicContact CD1-CD2 4.08Å; L138-L353 HydrophobicContact CD1-CG 3.91Å; L138-L353 HydrophobicContact CD2-CD1 4.11Å; L138-L353 HydrophobicContact CG-CD1 4.09Å; L138-L353 HydrophobicContact CG-CG 4.39Å; M140-L353 HydrophobicContact CB-CD1 3.74Å; L353-K397 WeakPolarHBondContact O-CA 3.38Å; L353-S398 PolarHBondContact N-O 2.93Å; L353-S398 PolarHBondContact O-N 2.92Å; L353-S398 VanDerWaalsContact O-O 3.14Å; L353-A403 HydrophobicContact CD2-CB 3.67Å; L353-M406 HydrophobicContact CB-SD 4.11Å; L353-M406 HydrophobicContact CD2-SD 3.95Å; L353-M406 HydrophobicContact CG-SD 4.24Å; L353-M406 WeakPolarHBondContact O-CE 3.46Å
354V97.2Very high90.8Very high31 Ų3145.4 Ų45.419%0.18823%0.225CC..EExtended strand (participates in β ladder)trans-132.5120.4179.9-176.30000110.3L138 K139 M356 I395 V396 K397L138-V354 CarbonylContact C-O 3.58Å; L138-V354 WeakPolarHBondContact CA-O 3.35Å; K139-V354 HydrophobicContact CB-CB 4.31Å; K139-V354 PolarHBondContact N-O 3.04Å; K139-V354 PolarHBondContact O-N 3.23Å; V354-M356 HydrophobicContact CG1-CG 4.18Å; V354-I395 HydrophobicContact CG1-CG2 3.62Å; V354-V396 CarbonylContact C-O 3.56Å; V354-V396 WeakPolarHBondContact CA-O 3.31Å; V354-K397 HydrophobicContact CG1-CG 4.21Å; V354-K397 HydrophobicContact CG2-CB 4.42Å; V354-K397 HydrophobicContact CG2-CG 4.07Å
355L97.6Very high90.2Very high0 Ų046.8 Ų46.80%023%0.234CC..EExtended strand (participates in β ladder)trans-103.4129.7174.5-179.167.8000109V136 L138 F357 V396 M406 Y407 R410V136-L355 HydrophobicContact CB-CD1 3.84Å; V136-L355 HydrophobicContact CG1-CD1 4.45Å; V136-L355 HydrophobicContact CG2-CD1 3.91Å; L138-L355 HydrophobicContact CB-CD1 4.48Å; L138-L355 HydrophobicContact CD1-CB 3.96Å; L138-L355 HydrophobicContact CD1-CD1 3.9Å; L355-F357 HydrophobicContact CG-CD1 4.46Å; L355-V396 HydrophobicContact CB-CB 4.4Å; L355-V396 PolarHBondContact N-O 3.19Å; L355-V396 PolarHBondContact O-N 2.88Å; L355-M406 HydrophobicContact CB-CE 3.79Å; L355-M406 HydrophobicContact CD2-CB 4.39Å; L355-M406 WeakPolarHBondContact CD2-O 3.26Å; L355-Y407 HydrophobicContact CD1-CE1 3.92Å; L355-Y407 HydrophobicContact CD2-CD1 3.88Å; L355-Y407 HydrophobicContact CD2-CE1 4.02Å; L355-R410 HydrophobicContact CD2-CB 4.35Å
356M95.9Very high89.8Confident54 Ų5445.7 Ų45.727%0.26623%0.228SC..EExtended strand (participates in β ladder)trans-121.6132.6178.3-56.717861.900109.6V136 T137 K139 V354 V394 I395V136-M356 CarbonylContact C-O 3.57Å; V136-M356 WeakPolarHBondContact CA-O 3.26Å; T137-M356 PolarHBondContact N-O 3.19Å; T137-M356 WeakPolarHBondContact O-CB 3.25Å; T137-M356 PolarHBondContact O-N 3.47Å; K139-M356 HydrophobicContact CD-SD 4.19Å; V354-M356 HydrophobicContact CG1-CG 4.18Å; M356-V394 WeakPolarHBondContact CA-O 3.4Å; M356-I395 HydrophobicContact CE-CD1 4.29Å; M356-I395 HydrophobicContact CE-CG1 4.3Å; M356-I395 HydrophobicContact CG-CG1 4.35Å; M356-I395 HydrophobicContact CG-CG2 4.43Å
357F94.6Very high89.6Confident3 Ų346.8 Ų46.81%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-151.1172.5174.366-88.8000110.4V136 L355 V394 V396 R410 L413 L414V136-F357 HydrophobicContact CB-CB 4.46Å; V136-F357 HydrophobicContact CG1-CB 3.97Å; L355-F357 HydrophobicContact CG-CD1 4.46Å; F357-V394 HydrophobicContact CD1-CB 4.17Å; F357-V394 HydrophobicContact CD1-CG1 4.39Å; F357-V394 HydrophobicContact CD2-CB 4.15Å; F357-V394 HydrophobicContact CD2-CG2 4.24Å; F357-V394 HydrophobicContact CE1-CB 3.85Å; F357-V394 HydrophobicContact CE1-CG1 3.65Å; F357-V394 HydrophobicContact CE2-CB 3.82Å; F357-V394 HydrophobicContact CE2-CG1 4.2Å; F357-V394 HydrophobicContact CE2-CG2 3.72Å; F357-V394 HydrophobicContact CG-CB 4.31Å; F357-V394 HydrophobicContact CZ-CB 3.66Å; F357-V394 HydrophobicContact CZ-CG1 3.55Å; F357-V394 HydrophobicContact CZ-CG2 3.94Å; F357-V394 PolarHBondContact N-O 3.1Å; F357-V394 PolarHBondContact O-N 2.67Å; F357-V396 HydrophobicContact CE1-CG2 3.94Å; F357-R410 HydrophobicContact CD1-CB 4.18Å; F357-R410 HydrophobicContact CD1-CG 3.88Å; F357-R410 HydrophobicContact CD2-CG 4.14Å; F357-R410 HydrophobicContact CE1-CB 3.6Å; F357-R410 HydrophobicContact CE1-CG 3.66Å; F357-R410 HydrophobicContact CE2-CG 3.94Å; F357-R410 HydrophobicContact CG-CG 4.12Å; F357-R410 HydrophobicContact CZ-CB 3.82Å; F357-R410 HydrophobicContact CZ-CG 3.69Å; F357-L413 HydrophobicContact CZ-CB 4.17Å; F357-L413 HydrophobicContact CZ-CD1 4.04Å; F357-L414 HydrophobicContact CD2-CD1 4.33Å; F357-L414 HydrophobicContact CD2-CD2 4.21Å; F357-L414 HydrophobicContact CD2-CG 4.39Å; F357-L414 HydrophobicContact CE2-CD1 4.29Å; F357-L414 HydrophobicContact CE2-CD2 3.94Å; F357-L414 HydrophobicContact CE2-CG 3.94Å
358D90.7Very high89.4Confident58 Ų5853.4 Ų53.431%0.3128%0.276SS..EExtended strand (participates in β ladder)trans-114.7146.1178.2-60.4-43.7000110.4K386 K392 S393D358-K386 WeakPolarHBondContact OD1-CE 3.49Å; D358-K386 IonicContact OD1-NZ 2.66Å; D358-K386 PolarHBondContact OD1-NZ 2.79Å; D358-K386 IonicContact OD2-NZ 2.76Å; D358-K386 PolarHBondContact OD2-NZ 3.47Å; D358-K392 WeakPolarHBondContact CA-O 3.16Å; D358-S393 WeakPolarHBondContact OD1-CB 3.36Å; D358-S393 PolarHBondContact OD1-OG 2.9Å
359I89.3Confident89.2Confident4 Ų454.4 Ų54.42%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-120.6145.3175.8-175.1179.9000108.4I363 V365 S391 K392 V394 L413 L414I359-I363 HydrophobicContact CD1-CB 3.78Å; I359-I363 HydrophobicContact CD1-CD1 4.2Å; I359-I363 HydrophobicContact CD1-CG2 3.67Å; I359-I363 HydrophobicContact CG1-CB 3.94Å; I359-I363 HydrophobicContact CG1-CD1 3.74Å; I359-I363 HydrophobicContact CG1-CG1 4.39Å; I359-I363 HydrophobicContact CG1-CG2 4.33Å; I359-V365 HydrophobicContact CD1-CG2 4.04Å; I359-S391 CarbonylContact O-C 3.59Å; I359-S391 WeakPolarHBondContact O-CA 3.33Å; I359-S391 WeakPolarHBondContact O-CB 3.37Å; I359-K392 HydrophobicContact CG2-CB 3.67Å; I359-K392 HydrophobicContact CG2-CD 4.48Å; I359-K392 WeakPolarHBondContact CG2-O 3.49Å; I359-K392 PolarHBondContact N-O 3.19Å; I359-K392 PolarHBondContact O-N 3.16Å; I359-V394 HydrophobicContact CB-CG2 4.24Å; I359-V394 HydrophobicContact CG2-CG2 3.73Å; I359-L413 WeakPolarHBondContact CD1-O 3.43Å; I359-L414 HydrophobicContact CB-CD2 4.08Å; I359-L414 HydrophobicContact CG1-CD2 3.98Å
360K84.2Confident89.1Confident83 Ų8355.2 Ų55.236%0.36129%0.285SS..EExtended strand (participates in β ladder)trans-57.9151.4175.5-63.2-170.4-179.4-179.70110.9D123 D362 I363D123-K360 IonicContact OD1-NZ 3.02Å; D123-K360 PolarHBondContact OD1-NZ 2.85Å; D123-K360 IonicContact OD2-NZ 2.75Å; D123-K360 PolarHBondContact OD2-NZ 2.88Å; K360-D362 VanDerWaalsContact C-N 3.33Å; K360-D362 WeakPolarHBondContact CB-OD1 3.44Å; K360-D362 WeakPolarHBondContact CB-OD2 3.19Å; K360-D362 WeakPolarHBondContact CD-OD2 3.47Å; K360-I363 HydrophobicContact CB-CD1 4.19Å; K360-I363 HydrophobicContact CB-CG1 4.29Å; K360-I363 PolarHBondContact O-N 2.61Å
361E81.6Confident89Confident92 Ų9258.9 Ų58.943%0.4331%0.307SS..THydrogen-bonded Turntrans-69.7-34.7178.6-178155.9-126.200112.4I363 P390 K392E361-I363 PolarHBondContact O-N 3.24Å; E361-P390 HydrophobicContact CB-CB 4.33Å; E361-P390 PolarHBondContact N-O 3.46Å; E361-P390 VanDerWaalsContact OE2-CA 3.27Å; E361-P390 WeakPolarHBondContact OE2-CA 3.41Å; E361-P390 WeakPolarHBondContact OE2-CB 3.31Å; E361-K392 VanDerWaalsContact O-CE 3.27Å; E361-K392 WeakPolarHBondContact O-CE 3.23Å; E361-K392 PolarHBondContact O-NZ 3.38Å
362D78Confident89Confident122 Ų12261 Ų6165%0.65233%0.326SS*.THydrogen-bonded Turntrans-63.7-8.9173.736.3-69.2000115.2K360K360-D362 VanDerWaalsContact C-N 3.33Å; K360-D362 WeakPolarHBondContact CB-OD1 3.44Å; K360-D362 WeakPolarHBondContact CB-OD2 3.19Å; K360-D362 WeakPolarHBondContact CD-OD2 3.47Å
363I81.3Confident89Confident54 Ų5459.9 Ų59.928%0.27732%0.318SS..  trans-95.7110.9168.9-55.1165.2000109I359 K360 E361 V365 K392I359-I363 HydrophobicContact CD1-CB 3.78Å; I359-I363 HydrophobicContact CD1-CD1 4.2Å; I359-I363 HydrophobicContact CD1-CG2 3.67Å; I359-I363 HydrophobicContact CG1-CB 3.94Å; I359-I363 HydrophobicContact CG1-CD1 3.74Å; I359-I363 HydrophobicContact CG1-CG1 4.39Å; I359-I363 HydrophobicContact CG1-CG2 4.33Å; K360-I363 HydrophobicContact CB-CD1 4.19Å; K360-I363 HydrophobicContact CB-CG1 4.29Å; K360-I363 PolarHBondContact O-N 2.61Å; E361-I363 PolarHBondContact O-N 3.24Å; I363-V365 HydrophobicContact CG2-CG2 4.14Å; I363-K392 PolarHBondContact O-NZ 3.44Å
364E78.8Confident88.9Confident173 Ų17361.5 Ų61.581%0.80833%0.326SS*.  trans-91134.3167.5-57.6-151.4136.900110.2
365V81.8Confident88.7Confident35 Ų3567 Ų6721%0.21235%0.349CS..  trans-123.7121.6177.7-172.30000107.3I359 I363 I370 L413I359-V365 HydrophobicContact CD1-CG2 4.04Å; I363-V365 HydrophobicContact CG2-CG2 4.14Å; V365-I370 HydrophobicContact CB-CD1 4.31Å; V365-I370 HydrophobicContact CB-CG1 4.35Å; V365-I370 HydrophobicContact CG1-CD1 4.14Å; V365-I370 HydrophobicContact CG1-CG1 3.64Å; V365-L413 HydrophobicContact CB-CD2 4.42Å; V365-L413 HydrophobicContact CG1-CD2 3.71Å; V365-L413 HydrophobicContact CG2-CD2 4.2Å
366E86.4Confident88.6Confident105 Ų10574.2 Ų74.249%0.49138%0.383SS..  trans-66.1135.9-175.3-168-177.3-174.600111.8Q368 C369 I370E366-Q368 HydrophobicContact CG-CB 4.2Å; E366-Q368 HydrophobicContact CG-CG 4.28Å; E366-Q368 PolarHBondContact O-N 3.3Å; E366-Q368 WeakPolarHBondContact OE1-CG 3.48Å; E366-Q368 PolarHBondContact OE1-NE2 3.09Å; E366-C369 HydrophobicContact CB-CB 4.19Å; E366-C369 WeakPolarHBondContact O-CB 3.34Å; E366-C369 PolarHBondContact O-N 3.21Å; E366-I370 WeakPolarHBondContact O-CG1 3.46Å; E366-I370 PolarHBondContact O-N 3.24Å
367P88.4Confident88.6Confident95 Ų9572.4 Ų72.462%0.61738%0.375SS*.Hα-helixtrans-56.1-32.6176.8-27.335.8000114.5I370 T371P367-I370 PolarHBondContact O-N 3.1Å; P367-T371 PolarHBondContact O-N 2.78Å; P367-T371 PolarHBondContact O-OG1 3.46Å
368Q89.5Confident88.5Confident139 Ų13973.5 Ų73.565%0.6538%0.381SS*.Hα-helixtrans-61.8-48.2174.1-57.6-164.86700110.8E366 I370 T371 A372E366-Q368 HydrophobicContact CG-CB 4.2Å; E366-Q368 HydrophobicContact CG-CG 4.28Å; E366-Q368 PolarHBondContact O-N 3.3Å; E366-Q368 WeakPolarHBondContact OE1-CG 3.48Å; E366-Q368 PolarHBondContact OE1-NE2 3.09Å; Q368-I370 PolarHBondContact O-N 3.33Å; Q368-T371 WeakPolarHBondContact O-CB 3.49Å; Q368-T371 PolarHBondContact O-N 3.15Å; Q368-T371 VanDerWaalsContact O-N 3.13Å; Q368-A372 PolarHBondContact O-N 2.86Å
369C89.4Confident88.8Confident39 Ų3970.8 Ų70.826%0.26437%0.366SS..Hα-helixtrans-64.7-38.7178.8-162.20000112.4E366 T371 L373 F412E366-C369 HydrophobicContact CB-CB 4.19Å; E366-C369 WeakPolarHBondContact O-CB 3.34Å; E366-C369 PolarHBondContact O-N 3.21Å; C369-T371 VanDerWaalsContact C-N 3.3Å; C369-T371 PolarHBondContact O-N 2.87Å; C369-L373 VanDerWaalsContact O-CB 3.25Å; C369-L373 WeakPolarHBondContact O-CB 3.26Å; C369-L373 PolarHBondContact O-N 3.24Å; C369-F412 WeakPolarHBondContact SG-CE1 3.29Å; C369-F412 WeakPolarHBondContact SG-CZ 3.09Å
370I91.1Very high89.1Confident29 Ų2972.4 Ų72.415%0.14937%0.373CS..Hα-helixtrans-61.4-41.1172.6-61.5169.6000110.6V365 E366 P367 Q368 L373 M374 I381 I383V365-I370 HydrophobicContact CB-CD1 4.31Å; V365-I370 HydrophobicContact CB-CG1 4.35Å; V365-I370 HydrophobicContact CG1-CD1 4.14Å; V365-I370 HydrophobicContact CG1-CG1 3.64Å; E366-I370 WeakPolarHBondContact O-CG1 3.46Å; E366-I370 PolarHBondContact O-N 3.24Å; P367-I370 PolarHBondContact O-N 3.1Å; Q368-I370 PolarHBondContact O-N 3.33Å; I370-L373 PolarHBondContact O-N 3.18Å; I370-M374 HydrophobicContact CG2-CG 4.48Å; I370-M374 HydrophobicContact CG2-SD 4.08Å; I370-M374 WeakPolarHBondContact O-CB 3.44Å; I370-M374 VanDerWaalsContact O-CG 3.28Å; I370-M374 WeakPolarHBondContact O-CG 3.45Å; I370-M374 PolarHBondContact O-N 2.96Å; I370-I381 HydrophobicContact CG2-CB 4.07Å; I370-I381 HydrophobicContact CG2-CG2 4.01Å; I370-I383 HydrophobicContact CD1-CD1 3.69Å; I370-I383 HydrophobicContact CD1-CG1 4.43Å; I370-I383 HydrophobicContact CG1-CD1 4.43Å
371T92Very high89.7Confident79 Ų7969 Ų6949%0.48536%0.358SS..Hα-helixtrans-66.7-46.6-179.1-54.20000111.3P367 Q368 C369 L373 M374 E375P367-T371 PolarHBondContact O-N 2.78Å; P367-T371 PolarHBondContact O-OG1 3.46Å; Q368-T371 WeakPolarHBondContact O-CB 3.49Å; Q368-T371 PolarHBondContact O-N 3.15Å; Q368-T371 VanDerWaalsContact O-N 3.13Å; C369-T371 VanDerWaalsContact C-N 3.3Å; C369-T371 PolarHBondContact O-N 2.87Å; T371-L373 VanDerWaalsContact C-N 3.35Å; T371-L373 PolarHBondContact O-N 3.41Å; T371-M374 WeakPolarHBondContact O-CB 3.21Å; T371-M374 PolarHBondContact O-N 3.33Å; T371-E375 PolarHBondContact O-N 3.4Å; T371-E375 VanDerWaalsContact O-N 3.14Å
372A92.6Very high90.3Very high52 Ų5266.1 Ų66.143%0.4335%0.349SS..Hα-helixtrans-60.4-42.8174.700000112.1Q368 M374 E375 Q376Q368-A372 PolarHBondContact O-N 2.86Å; A372-M374 VanDerWaalsContact C-N 3.33Å; A372-M374 PolarHBondContact O-N 3.48Å; A372-E375 PolarHBondContact O-N 3.49Å; A372-Q376 VanDerWaalsContact O-CB 3.29Å; A372-Q376 WeakPolarHBondContact O-CB 3.38Å; A372-Q376 PolarHBondContact O-N 3.09Å
373L93.6Very high91.1Very high9 Ų962.6 Ų62.65%0.04733%0.33CS..Hα-helixtrans-64.1-36.1177.3-170.169.7000112.5C369 I370 T371 L377 I381 A409 F412 L413C369-L373 VanDerWaalsContact O-CB 3.25Å; C369-L373 WeakPolarHBondContact O-CB 3.26Å; C369-L373 PolarHBondContact O-N 3.24Å; I370-L373 PolarHBondContact O-N 3.18Å; T371-L373 VanDerWaalsContact C-N 3.35Å; T371-L373 PolarHBondContact O-N 3.41Å; L373-L377 HydrophobicContact CD1-CD1 3.46Å; L373-L377 VanDerWaalsContact CD1-CD1 3.46Å; L373-L377 HydrophobicContact CD1-CG 4.12Å; L373-L377 HydrophobicContact CG-CD1 4.07Å; L373-L377 WeakPolarHBondContact O-CB 3.17Å; L373-L377 PolarHBondContact O-N 3.12Å; L373-I381 HydrophobicContact CB-CD1 4.36Å; L373-I381 HydrophobicContact CD2-CD1 3.71Å; L373-I381 HydrophobicContact CG-CD1 4.02Å; L373-A409 HydrophobicContact CD2-CB 4.31Å; L373-A409 HydrophobicContact CG-CB 4.5Å; L373-F412 HydrophobicContact CD1-CB 4.09Å; L373-F412 HydrophobicContact CD1-CD1 4.03Å; L373-F412 HydrophobicContact CD1-CD2 4.25Å; L373-F412 HydrophobicContact CD1-CG 3.84Å; L373-F412 HydrophobicContact CD2-CB 4.25Å; L373-F412 HydrophobicContact CD2-CD1 3.66Å; L373-F412 HydrophobicContact CD2-CE1 4.39Å; L373-F412 HydrophobicContact CD2-CG 4.13Å; L373-F412 HydrophobicContact CG-CD1 4.44Å; L373-L413 HydrophobicContact CD2-CD1 4.47Å; L373-L413 HydrophobicContact CD2-CD2 4.09Å; L373-L413 HydrophobicContact CD2-CG 3.9Å
374M94.1Very high91.6Very high35 Ų3566.1 Ų66.117%0.17234%0.343CS..Hα-helixtrans-65-42.2174.8-78.2176.643.700112.5I370 T371 A372 D378 V379 F380 I381I370-M374 HydrophobicContact CG2-CG 4.48Å; I370-M374 HydrophobicContact CG2-SD 4.08Å; I370-M374 WeakPolarHBondContact O-CB 3.44Å; I370-M374 VanDerWaalsContact O-CG 3.28Å; I370-M374 WeakPolarHBondContact O-CG 3.45Å; I370-M374 PolarHBondContact O-N 2.96Å; T371-M374 WeakPolarHBondContact O-CB 3.21Å; T371-M374 PolarHBondContact O-N 3.33Å; A372-M374 VanDerWaalsContact C-N 3.33Å; A372-M374 PolarHBondContact O-N 3.48Å; M374-D378 PolarHBondContact O-N 3.41Å; M374-V379 VanDerWaalsContact CA-O 3.26Å; M374-V379 WeakPolarHBondContact CA-O 3.27Å; M374-V379 VanDerWaalsContact CB-O 3.22Å; M374-V379 WeakPolarHBondContact CB-O 3.17Å; M374-V379 VanDerWaalsContact CG-O 3.27Å; M374-V379 WeakPolarHBondContact CG-O 3.47Å; M374-V379 PolarHBondContact O-N 3.36Å; M374-V379 VanDerWaalsContact O-N 3.17Å; M374-F380 HydrophobicContact CE-CD2 3.95Å; M374-F380 HydrophobicContact CE-CE2 4.43Å; M374-I381 HydrophobicContact CG-CB 3.78Å; M374-I381 HydrophobicContact CG-CD1 3.81Å; M374-I381 HydrophobicContact CG-CG1 3.68Å; M374-I381 HydrophobicContact SD-CB 3.88Å; M374-I381 HydrophobicContact SD-CG1 4.45Å; M374-I381 PolarHBondContact SD-N 3.02Å; M374-I381 VanDerWaalsContact SD-N 3.44Å
375E93.1Very high92.1Very high146 Ų14662.6 Ų62.668%0.68234%0.335SS*.Hα-helixtrans-70.8-51.3178.1-175.8170.4-165.100111.8T371 A372 L377 D378T371-E375 PolarHBondContact O-N 3.4Å; T371-E375 VanDerWaalsContact O-N 3.14Å; A372-E375 PolarHBondContact O-N 3.49Å; E375-L377 PolarHBondContact O-N 3.2Å; E375-D378 PolarHBondContact O-N 3.42Å
376Q95.1Very high92.4Very high152 Ų15263.2 Ų63.271%0.7134%0.335SS*.Hα-helixtrans-61.7-38.6-176.9-179.8178.6-17.700113.2A372A372-Q376 VanDerWaalsContact O-CB 3.29Å; A372-Q376 WeakPolarHBondContact O-CB 3.38Å; A372-Q376 PolarHBondContact O-N 3.09Å
377L94.3Very high92.1Very high17 Ų1764.6 Ų64.69%0.08935%0.353CS..Hα-helixtrans-98.5-2.1-174.4-65.5-176.4000114.3L373 E375 V379 N402 N405 E408 A409L373-L377 HydrophobicContact CD1-CD1 3.46Å; L373-L377 VanDerWaalsContact CD1-CD1 3.46Å; L373-L377 HydrophobicContact CD1-CG 4.12Å; L373-L377 HydrophobicContact CG-CD1 4.07Å; L373-L377 WeakPolarHBondContact O-CB 3.17Å; L373-L377 PolarHBondContact O-N 3.12Å; E375-L377 PolarHBondContact O-N 3.2Å; L377-V379 HydrophobicContact CB-CG1 4.31Å; L377-V379 HydrophobicContact CB-CG2 3.96Å; L377-N402 PolarHBondContact O-ND2 3.3Å; L377-N405 HydrophobicContact CB-CB 4.18Å; L377-N405 WeakPolarHBondContact O-CB 3.48Å; L377-N405 PolarHBondContact O-ND2 3.23Å; L377-E408 HydrophobicContact CD1-CB 4.2Å; L377-A409 HydrophobicContact CD1-CB 3.8Å
378D93.9Very high91.6Very high26 Ų2669.6 Ų69.614%0.13937%0.365CS..THydrogen-bonded Turntrans58.348.7-176.7-161.40.4000112.4M374 E375 S398 N402 G446 L447M374-D378 PolarHBondContact O-N 3.41Å; E375-D378 PolarHBondContact O-N 3.42Å; D378-S398 PolarHBondContact O-OG 3.35Å; D378-N402 PolarHBondContact O-ND2 2.93Å; D378-G446 WeakPolarHBondContact OD1-CA 3.39Å; D378-G446 WeakPolarHBondContact OD2-CA 2.76Å; D378-G446 PolarHBondContact OD2-N 3.39Å; D378-L447 PolarHBondContact OD1-N 2.91Å
379V96Very high91Very high1 Ų168 Ų681%0.00636%0.357CS..  trans-133.3148.3-175.9-61.90000111.9M374 L377 I381 V396 N405 M406 A409M374-V379 VanDerWaalsContact CA-O 3.26Å; M374-V379 WeakPolarHBondContact CA-O 3.27Å; M374-V379 VanDerWaalsContact CB-O 3.22Å; M374-V379 WeakPolarHBondContact CB-O 3.17Å; M374-V379 VanDerWaalsContact CG-O 3.27Å; M374-V379 WeakPolarHBondContact CG-O 3.47Å; M374-V379 PolarHBondContact O-N 3.36Å; M374-V379 VanDerWaalsContact O-N 3.17Å; L377-V379 HydrophobicContact CB-CG1 4.31Å; L377-V379 HydrophobicContact CB-CG2 3.96Å; V379-I381 HydrophobicContact CG2-CD1 3.98Å; V379-I381 HydrophobicContact CG2-CG1 3.96Å; V379-V396 HydrophobicContact CB-CG1 3.91Å; V379-V396 HydrophobicContact CG1-CG1 4.2Å; V379-V396 HydrophobicContact CG2-CG1 4.35Å; V379-N405 HydrophobicContact CG1-CB 4.36Å; V379-M406 HydrophobicContact CG1-CG 3.97Å; V379-A409 HydrophobicContact CG2-CB 4.23Å
380F96.2Very high90.6Very high38 Ų3870.8 Ų70.817%0.16738%0.375CS..EExtended strand (participates in β ladder)trans-101121.6169.8177.2-86.4000110.2M374 V396 K397 L450 L457M374-F380 HydrophobicContact CE-CD2 3.95Å; M374-F380 HydrophobicContact CE-CE2 4.43Å; F380-V396 CarbonylContact O-C 3.53Å; F380-V396 WeakPolarHBondContact O-CA 2.93Å; F380-K397 HydrophobicContact CB-CB 4.33Å; F380-K397 HydrophobicContact CD1-CD 3.91Å; F380-K397 HydrophobicContact CD1-CG 4.21Å; F380-K397 HydrophobicContact CE1-CD 4.48Å; F380-K397 PolarHBondContact N-O 3.3Å; F380-K397 PolarHBondContact O-N 2.97Å; F380-L450 HydrophobicContact CB-CD1 4.46Å; F380-L457 HydrophobicContact CD2-CD2 4.49Å; F380-L457 HydrophobicContact CE2-CD2 4.31Å
381I96.3Very high90.5Very high10 Ų1070.2 Ų70.25%0.05137%0.374CS..EExtended strand (participates in β ladder)trans-111.1136.6-177-58.3172.2000109.6I370 L373 M374 V379 I383 V394 V396 A409 L413I370-I381 HydrophobicContact CG2-CB 4.07Å; I370-I381 HydrophobicContact CG2-CG2 4.01Å; L373-I381 HydrophobicContact CB-CD1 4.36Å; L373-I381 HydrophobicContact CD2-CD1 3.71Å; L373-I381 HydrophobicContact CG-CD1 4.02Å; M374-I381 HydrophobicContact CG-CB 3.78Å; M374-I381 HydrophobicContact CG-CD1 3.81Å; M374-I381 HydrophobicContact CG-CG1 3.68Å; M374-I381 HydrophobicContact SD-CB 3.88Å; M374-I381 HydrophobicContact SD-CG1 4.45Å; M374-I381 PolarHBondContact SD-N 3.02Å; M374-I381 VanDerWaalsContact SD-N 3.44Å; V379-I381 HydrophobicContact CG2-CD1 3.98Å; V379-I381 HydrophobicContact CG2-CG1 3.96Å; I381-I383 HydrophobicContact CG2-CG1 4.18Å; I381-V394 HydrophobicContact CG2-CG1 4.24Å; I381-V396 HydrophobicContact CG1-CG1 4.39Å; I381-V396 HydrophobicContact CG1-CG2 4.42Å; I381-A409 HydrophobicContact CD1-CB 4.32Å; I381-L413 HydrophobicContact CD1-CD1 4.26Å; I381-L413 HydrophobicContact CG2-CD1 3.98Å
382S94.9Very high90.4Very high32 Ų3268.2 Ų68.222%0.22436%0.358CS..EExtended strand (participates in β ladder)trans-138.5115172.1-1720000110.1K384 I395S382-K384 WeakPolarHBondContact OG-CE 3.39Å; S382-I395 PolarHBondContact N-O 2.83Å; S382-I395 PolarHBondContact O-N 2.98Å
383I93.8Very high90.4Very high49 Ų4967 Ų6725%0.25135%0.346SS..EExtended strand (participates in β ladder)trans-100.3134.5176.2-51.9-172.4000108.5I370 I381 K392 S393 V394 L413I370-I383 HydrophobicContact CD1-CD1 3.69Å; I370-I383 HydrophobicContact CD1-CG1 4.43Å; I370-I383 HydrophobicContact CG1-CD1 4.43Å; I381-I383 HydrophobicContact CG2-CG1 4.18Å; I383-K392 HydrophobicContact CG2-CB 3.67Å; I383-K392 HydrophobicContact CG2-CD 4.49Å; I383-K392 HydrophobicContact CG2-CG 4.5Å; I383-S393 WeakPolarHBondContact CA-O 3.3Å; I383-V394 HydrophobicContact CD1-CG2 4.46Å; I383-V394 HydrophobicContact CG1-CG1 4.32Å; I383-V394 HydrophobicContact CG1-CG2 4.17Å; I383-V394 HydrophobicContact CG2-CG2 4.44Å; I383-L413 HydrophobicContact CD1-CD2 4.33Å
384K91.4Very high90.5Very high128 Ų12866.6 Ų66.656%0.55734%0.344SS*.EExtended strand (participates in β ladder)trans-139.3127.6178-61.1-170.2178.6-168.40111.2S382 K392 S393S382-K384 WeakPolarHBondContact OG-CE 3.39Å; K384-K392 CarbonylContact O-C 3.55Å; K384-S393 PolarHBondContact N-O 2.78Å; K384-S393 PolarHBondContact O-N 2.8Å
385P89.7Confident90.6Very high99 Ų9967.1 Ų67.164%0.64335%0.347SS*.EExtended strand (participates in β ladder)trans-63.5145175.927.9-34.7000110.8
386K88.6Confident90.8Very high47 Ų4760.1 Ų60.120%0.20432%0.315CS..  trans-92.6121.2176.8-67.8-174.9-176.71770110.6D358 K388 Q389 S391D358-K386 WeakPolarHBondContact OD1-CE 3.49Å; D358-K386 IonicContact OD1-NZ 2.66Å; D358-K386 PolarHBondContact OD1-NZ 2.79Å; D358-K386 IonicContact OD2-NZ 2.76Å; D358-K386 PolarHBondContact OD2-NZ 3.47Å; K386-K388 PolarHBondContact O-N 2.91Å; K386-Q389 HydrophobicContact CB-CB 4.14Å; K386-Q389 HydrophobicContact CD-CB 4.13Å; K386-Q389 HydrophobicContact CD-CG 4.44Å; K386-Q389 PolarHBondContact O-N 3.05Å; K386-S391 WeakPolarHBondContact CB-O 3.42Å; K386-S391 WeakPolarHBondContact CG-O 3.46Å; K386-S391 PolarHBondContact N-O 2.91Å; K386-S391 VanDerWaalsContact N-O 3.16Å
387P80.6Confident90.9Very high134 Ų13455.5 Ų55.587%0.8729%0.292SS*.THydrogen-bonded Turntrans-7113.4-173.430.3-37.7000115.5
388K76.8Confident90.9Very high201 Ų20154.8 Ų54.887%0.87429%0.289SS*.THydrogen-bonded Turntrans-149.112.1179.3-64.5-162.4176-162.30114K386K386-K388 PolarHBondContact O-N 2.91Å
389Q76.7Confident91Very high105 Ų10553.5 Ų53.549%0.49128%0.282SS..SBendtrans-148.2142.8-179.7-63.7-172.6-42.500110K386 S391K386-Q389 HydrophobicContact CB-CB 4.14Å; K386-Q389 HydrophobicContact CD-CB 4.13Å; K386-Q389 HydrophobicContact CD-CG 4.44Å; K386-Q389 PolarHBondContact O-N 3.05Å; Q389-S391 WeakPolarHBondContact CB-OG 3.44Å; Q389-S391 PolarHBondContact O-N 3.26Å
390P82.6Confident90.9Very high98 Ų9854 Ų5464%0.63628%0.284SS*.SBendtrans-76.262.617333.5-35.8000110.5E361E361-P390 HydrophobicContact CB-CB 4.33Å; E361-P390 PolarHBondContact N-O 3.46Å; E361-P390 VanDerWaalsContact OE2-CA 3.27Å; E361-P390 WeakPolarHBondContact OE2-CA 3.41Å; E361-P390 WeakPolarHBondContact OE2-CB 3.31Å
391S87.8Confident90.8Very high17 Ų1757.2 Ų57.212%0.11930%0.295CS..EExtended strand (participates in β ladder)trans-157145.1177.846.90000110.5I359 K386 Q389I359-S391 CarbonylContact O-C 3.59Å; I359-S391 WeakPolarHBondContact O-CA 3.33Å; I359-S391 WeakPolarHBondContact O-CB 3.37Å; K386-S391 WeakPolarHBondContact CB-O 3.42Å; K386-S391 WeakPolarHBondContact CG-O 3.46Å; K386-S391 PolarHBondContact N-O 2.91Å; K386-S391 VanDerWaalsContact N-O 3.16Å; Q389-S391 WeakPolarHBondContact CB-OG 3.44Å; Q389-S391 PolarHBondContact O-N 3.26Å
392K90.6Very high90.8Very high37 Ų3757.8 Ų57.816%0.16130%0.298CS..EExtended strand (participates in β ladder)trans-95.1139.4171.9-50152.5-171.7166.40106.4D358 I359 E361 I363 I383 K384D358-K392 WeakPolarHBondContact CA-O 3.16Å; I359-K392 HydrophobicContact CG2-CB 3.67Å; I359-K392 HydrophobicContact CG2-CD 4.48Å; I359-K392 WeakPolarHBondContact CG2-O 3.49Å; I359-K392 PolarHBondContact N-O 3.19Å; I359-K392 PolarHBondContact O-N 3.16Å; E361-K392 VanDerWaalsContact O-CE 3.27Å; E361-K392 WeakPolarHBondContact O-CE 3.23Å; E361-K392 PolarHBondContact O-NZ 3.38Å; I363-K392 PolarHBondContact O-NZ 3.44Å; I383-K392 HydrophobicContact CG2-CB 3.67Å; I383-K392 HydrophobicContact CG2-CD 4.49Å; I383-K392 HydrophobicContact CG2-CG 4.5Å; K384-K392 CarbonylContact O-C 3.55Å
393S92.4Very high90.8Very high26 Ų2656.4 Ų56.418%0.18229%0.289CS..EExtended strand (participates in β ladder)trans-96.8127.1176.1-150.80000109.2D358 I383 K384D358-S393 WeakPolarHBondContact OD1-CB 3.36Å; D358-S393 PolarHBondContact OD1-OG 2.9Å; I383-S393 WeakPolarHBondContact CA-O 3.3Å; K384-S393 PolarHBondContact N-O 2.78Å; K384-S393 PolarHBondContact O-N 2.8Å
394V94.9Very high90.9Very high0 Ų058.3 Ų58.30%030%0.302CS..EExtended strand (participates in β ladder)trans-103.7131.2-178.2-173.50000109.2M356 F357 I359 I381 I383 V396 L413M356-V394 WeakPolarHBondContact CA-O 3.4Å; F357-V394 HydrophobicContact CD1-CB 4.17Å; F357-V394 HydrophobicContact CD1-CG1 4.39Å; F357-V394 HydrophobicContact CD2-CB 4.15Å; F357-V394 HydrophobicContact CD2-CG2 4.24Å; F357-V394 HydrophobicContact CE1-CB 3.85Å; F357-V394 HydrophobicContact CE1-CG1 3.65Å; F357-V394 HydrophobicContact CE2-CB 3.82Å; F357-V394 HydrophobicContact CE2-CG1 4.2Å; F357-V394 HydrophobicContact CE2-CG2 3.72Å; F357-V394 HydrophobicContact CG-CB 4.31Å; F357-V394 HydrophobicContact CZ-CB 3.66Å; F357-V394 HydrophobicContact CZ-CG1 3.55Å; F357-V394 HydrophobicContact CZ-CG2 3.94Å; F357-V394 PolarHBondContact N-O 3.1Å; F357-V394 PolarHBondContact O-N 2.67Å; I359-V394 HydrophobicContact CB-CG2 4.24Å; I359-V394 HydrophobicContact CG2-CG2 3.73Å; I381-V394 HydrophobicContact CG2-CG1 4.24Å; I383-V394 HydrophobicContact CD1-CG2 4.46Å; I383-V394 HydrophobicContact CG1-CG1 4.32Å; I383-V394 HydrophobicContact CG1-CG2 4.17Å; I383-V394 HydrophobicContact CG2-CG2 4.44Å; V394-V396 HydrophobicContact CG1-CG2 4.07Å; V394-L413 HydrophobicContact CG1-CD1 3.86Å
395I96.7Very high91.1Very high46 Ų4654 Ų5424%0.23629%0.285CS..EExtended strand (participates in β ladder)trans-120.5111173.2-54.4178.9000107.8V354 M356 S382 K397V354-I395 HydrophobicContact CG1-CG2 3.62Å; M356-I395 HydrophobicContact CE-CD1 4.29Å; M356-I395 HydrophobicContact CE-CG1 4.3Å; M356-I395 HydrophobicContact CG-CG1 4.35Å; M356-I395 HydrophobicContact CG-CG2 4.43Å; S382-I395 PolarHBondContact N-O 2.83Å; S382-I395 PolarHBondContact O-N 2.98Å; I395-K397 HydrophobicContact CG2-CG 4.24Å
396V97.4Very high91.4Very high0 Ų049.3 Ų49.30%026%0.255CS..EExtended strand (participates in β ladder)trans-99.4134.6171.2-170.80000108.3V354 L355 F357 V379 F380 I381 V394 M406V354-V396 CarbonylContact C-O 3.56Å; V354-V396 WeakPolarHBondContact CA-O 3.31Å; L355-V396 HydrophobicContact CB-CB 4.4Å; L355-V396 PolarHBondContact N-O 3.19Å; L355-V396 PolarHBondContact O-N 2.88Å; F357-V396 HydrophobicContact CE1-CG2 3.94Å; V379-V396 HydrophobicContact CB-CG1 3.91Å; V379-V396 HydrophobicContact CG1-CG1 4.2Å; V379-V396 HydrophobicContact CG2-CG1 4.35Å; F380-V396 CarbonylContact O-C 3.53Å; F380-V396 WeakPolarHBondContact O-CA 2.93Å; I381-V396 HydrophobicContact CG1-CG1 4.39Å; I381-V396 HydrophobicContact CG1-CG2 4.42Å; V394-V396 HydrophobicContact CG1-CG2 4.07Å; V396-M406 HydrophobicContact CB-CE 4.26Å; V396-M406 HydrophobicContact CG1-CB 4.11Å; V396-M406 HydrophobicContact CG1-CE 4.12Å; V396-M406 HydrophobicContact CG1-CG 4.09Å; V396-M406 VanDerWaalsContact O-CE 3.23Å; V396-M406 WeakPolarHBondContact O-CE 3.27Å
397K96.6Very high91.7Very high54 Ų5448.8 Ų48.824%0.23525%0.252CS..EExtended strand (participates in β ladder)trans-127.1138.2175.4-46.9177.2-174.4166.70110.1L353 V354 F380 I395 L455L353-K397 WeakPolarHBondContact O-CA 3.38Å; V354-K397 HydrophobicContact CG1-CG 4.21Å; V354-K397 HydrophobicContact CG2-CB 4.42Å; V354-K397 HydrophobicContact CG2-CG 4.07Å; F380-K397 HydrophobicContact CB-CB 4.33Å; F380-K397 HydrophobicContact CD1-CD 3.91Å; F380-K397 HydrophobicContact CD1-CG 4.21Å; F380-K397 HydrophobicContact CE1-CD 4.48Å; F380-K397 PolarHBondContact N-O 3.3Å; F380-K397 PolarHBondContact O-N 2.97Å; I395-K397 HydrophobicContact CG2-CG 4.24Å; K397-L455 HydrophobicContact CD-CD1 4.31Å
398S96Very high92.4Very high2 Ų246.5 Ų46.51%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-156.8-158.1165.6-163.50000109.4L353 D378 N402L353-S398 PolarHBondContact N-O 2.93Å; L353-S398 PolarHBondContact O-N 2.92Å; L353-S398 VanDerWaalsContact O-O 3.14Å; D378-S398 PolarHBondContact O-OG 3.35Å; S398-N402 PolarHBondContact OG-ND2 3.4Å
399V94.4Very high93.2Very high0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-96154.5171.8-71.60000111.2F297 L351 R401 N402 I449F297-V399 HydrophobicContact CE1-CG1 3.85Å; F297-V399 HydrophobicContact CZ-CG1 3.78Å; L351-V399 CarbonylContact O-C 3.52Å; L351-V399 WeakPolarHBondContact O-CA 3.48Å; V399-R401 VanDerWaalsContact C-N 3.27Å; V399-R401 HydrophobicContact CG2-CG 3.71Å; V399-R401 PolarHBondContact O-N 3.22Å; V399-N402 HydrophobicContact CG2-CB 4.02Å; V399-N402 WeakPolarHBondContact O-CA 3.28Å; V399-N402 WeakPolarHBondContact O-CB 3.18Å; V399-N402 PolarHBondContact O-N 3.26Å; V399-I449 HydrophobicContact CG1-CG2 4.09Å
400E94.6Very high94Very high11 Ų1132.5 Ų32.55%0.05117%0.167CC..G310 helixtrans-60.8-30.9-173.8-175170.2-164.800113.9R199 R203 G349 L351 N402 A403R199-E400 IonicContact CZ-OE1 3.49Å; R199-E400 IonicContact NH1-OE1 3.04Å; R199-E400 PolarHBondContact NH1-OE1 3.22Å; R203-E400 WeakPolarHBondContact CG-OE1 3.08Å; R203-E400 IonicContact CZ-OE1 2.7Å; R203-E400 IonicContact CZ-OE2 3.21Å; R203-E400 IonicContact NE-OE1 3.18Å; R203-E400 PolarHBondContact NE-OE1 3.04Å; R203-E400 IonicContact NE-OE2 2.64Å; R203-E400 PolarHBondContact NE-OE2 3.04Å; R203-E400 IonicContact NH2-OE1 2.61Å; R203-E400 IonicContact NH2-OE2 2.8Å; R203-E400 PolarHBondContact NH2-OE2 2.8Å; G349-E400 PolarHBondContact O-N 3.11Å; L351-E400 PolarHBondContact O-N 3.25Å; E400-N402 PolarHBondContact O-N 3.16Å; E400-A403 WeakPolarHBondContact O-CB 3.31Å; E400-A403 PolarHBondContact O-N 3.06Å
401R93.8Very high94.4Very high106 Ų10634.4 Ų34.440%0.416%0.161SC..G310 helixtrans-64.5-17.8172.372.8-176.6-171.4-152.1-1.7113.9G349 V399G349-R401 WeakPolarHBondContact O-CB 3.39Å; G349-R401 VanDerWaalsContact O-CG 3.31Å; G349-R401 WeakPolarHBondContact O-CG 3.14Å; G349-R401 PolarHBondContact O-N 3.36Å; V399-R401 VanDerWaalsContact C-N 3.27Å; V399-R401 HydrophobicContact CG2-CG 3.71Å; V399-R401 PolarHBondContact O-N 3.22Å
402N95.6Very high94.5Very high21 Ų2136.3 Ų36.311%0.11217%0.167CC..G310 helixtrans-10520.8-178.6-156.236.1000112.5L377 D378 S398 V399 E400 V404 N405 M406L377-N402 PolarHBondContact O-ND2 3.3Å; D378-N402 PolarHBondContact O-ND2 2.93Å; S398-N402 PolarHBondContact OG-ND2 3.4Å; V399-N402 HydrophobicContact CG2-CB 4.02Å; V399-N402 WeakPolarHBondContact O-CA 3.28Å; V399-N402 WeakPolarHBondContact O-CB 3.18Å; V399-N402 PolarHBondContact O-N 3.26Å; E400-N402 PolarHBondContact O-N 3.16Å; N402-V404 VanDerWaalsContact C-N 3.26Å; N402-V404 PolarHBondContact O-N 2.9Å; N402-N405 PolarHBondContact O-N 3.18Å; N402-N405 WeakPolarHBondContact OD1-CB 3.5Å; N402-N405 PolarHBondContact OD1-ND2 2.86Å; N402-N405 PolarHBondContact OD1-OD1 2.99Å; N402-M406 PolarHBondContact O-N 3.12Å
403A95.8Very high94.5Very high3 Ų334.6 Ų34.63%0.02516%0.16CC..Hα-helixtrans-57.6-36.1-177.500000113.2L353 E400 M406 Y407L353-A403 HydrophobicContact CD2-CB 3.67Å; E400-A403 WeakPolarHBondContact O-CB 3.31Å; E400-A403 PolarHBondContact O-N 3.06Å; A403-M406 WeakPolarHBondContact O-CB 3.24Å; A403-M406 PolarHBondContact O-N 3.17Å; A403-Y407 WeakPolarHBondContact O-CD2 3.39Å; A403-Y407 PolarHBondContact O-N 3.27Å
404V95.1Very high94.2Very high89 Ų8934.9 Ų34.954%0.53916%0.16SC..Hα-helixtrans-57.7-55179.6-177.80000110.8N402 M406 Y407 E408N402-V404 VanDerWaalsContact C-N 3.26Å; N402-V404 PolarHBondContact O-N 2.9Å; V404-M406 PolarHBondContact O-N 3.41Å; V404-M406 VanDerWaalsContact O-N 3.13Å; V404-Y407 WeakPolarHBondContact O-CA 3.37Å; V404-Y407 WeakPolarHBondContact O-CB 3.14Å; V404-Y407 PolarHBondContact O-N 2.93Å; V404-E408 PolarHBondContact O-N 2.99Å
405N96.2Very high93.4Very high37 Ų3737.8 Ų37.820%0.19819%0.189CC..Hα-helixtrans-57.2-29.3178-64.739.3000113L377 V379 N402 Y407 E408 A409L377-N405 HydrophobicContact CB-CB 4.18Å; L377-N405 WeakPolarHBondContact O-CB 3.48Å; L377-N405 PolarHBondContact O-ND2 3.23Å; V379-N405 HydrophobicContact CG1-CB 4.36Å; N402-N405 PolarHBondContact O-N 3.18Å; N402-N405 WeakPolarHBondContact OD1-CB 3.5Å; N402-N405 PolarHBondContact OD1-ND2 2.86Å; N402-N405 PolarHBondContact OD1-OD1 2.99Å; N405-Y407 VanDerWaalsContact C-N 3.35Å; N405-E408 PolarHBondContact O-N 3.14Å; N405-A409 WeakPolarHBondContact O-CB 3.07Å; N405-A409 PolarHBondContact O-N 3.01Å
406M96.1Very high92.3Very high1 Ų139.5 Ų39.51%0.00520%0.199CC..Hα-helixtrans-68.9-31.7174.2-59.71786700112.7L353 L355 V379 V396 N402 A403 V404 R410L353-M406 HydrophobicContact CB-SD 4.11Å; L353-M406 HydrophobicContact CD2-SD 3.95Å; L353-M406 HydrophobicContact CG-SD 4.24Å; L353-M406 WeakPolarHBondContact O-CE 3.46Å; L355-M406 HydrophobicContact CB-CE 3.79Å; L355-M406 HydrophobicContact CD2-CB 4.39Å; L355-M406 WeakPolarHBondContact CD2-O 3.26Å; V379-M406 HydrophobicContact CG1-CG 3.97Å; V396-M406 HydrophobicContact CB-CE 4.26Å; V396-M406 HydrophobicContact CG1-CB 4.11Å; V396-M406 HydrophobicContact CG1-CE 4.12Å; V396-M406 HydrophobicContact CG1-CG 4.09Å; V396-M406 VanDerWaalsContact O-CE 3.23Å; V396-M406 WeakPolarHBondContact O-CE 3.27Å; N402-M406 PolarHBondContact O-N 3.12Å; A403-M406 WeakPolarHBondContact O-CB 3.24Å; A403-M406 PolarHBondContact O-N 3.17Å; V404-M406 PolarHBondContact O-N 3.41Å; V404-M406 VanDerWaalsContact O-N 3.13Å; M406-R410 PolarHBondContact O-N 3.22Å
407Y95.6Very high90.1Very high36 Ų3644.3 Ų44.314%0.14122%0.221CC..Hα-helixtrans-79.9-32.2172.1-64.3-74000112.2P192 E196 L355 A403 V404 N405 R410 R411P192-Y407 HydrophobicContact CB-CD1 4.28Å; P192-Y407 HydrophobicContact CB-CE1 4.31Å; E196-Y407 HydrophobicContact CB-CE2 4.01Å; E196-Y407 HydrophobicContact CG-CE2 4.07Å; E196-Y407 WeakPolarHBondContact OE2-CE2 3.49Å; E196-Y407 PolarHBondContact OE2-OH 3.21Å; L355-Y407 HydrophobicContact CD1-CE1 3.92Å; L355-Y407 HydrophobicContact CD2-CD1 3.88Å; L355-Y407 HydrophobicContact CD2-CE1 4.02Å; A403-Y407 WeakPolarHBondContact O-CD2 3.39Å; A403-Y407 PolarHBondContact O-N 3.27Å; V404-Y407 WeakPolarHBondContact O-CA 3.37Å; V404-Y407 WeakPolarHBondContact O-CB 3.14Å; V404-Y407 PolarHBondContact O-N 2.93Å; N405-Y407 VanDerWaalsContact C-N 3.35Å; Y407-R410 WeakPolarHBondContact O-CB 3.12Å; Y407-R410 PolarHBondContact O-N 2.95Å; Y407-R411 WeakPolarHBondContact O-CG 3.21Å; Y407-R411 PolarHBondContact O-N 3.49Å
408E94.3Very high87.4Confident87 Ų8746.6 Ų46.641%0.40724%0.244SC..Hα-helixtrans-63.8-47.2171.9-67.1175.3167.300111.1L377 V404 N405 R410 R411 F412L377-E408 HydrophobicContact CD1-CB 4.2Å; V404-E408 PolarHBondContact O-N 2.99Å; N405-E408 PolarHBondContact O-N 3.14Å; E408-R410 PolarHBondContact O-N 3.46Å; E408-R411 WeakPolarHBondContact O-CA 3.5Å; E408-R411 WeakPolarHBondContact O-CB 3.37Å; E408-R411 PolarHBondContact O-N 2.69Å; E408-F412 PolarHBondContact O-N 2.82Å
409A94.6Very high84.5Confident0 Ų054.9 Ų54.90%029%0.288CS..Hα-helixtrans-54.9-36.5171.300000112L373 L377 V379 I381 N405 L413L373-A409 HydrophobicContact CD2-CB 4.31Å; L373-A409 HydrophobicContact CG-CB 4.5Å; L377-A409 HydrophobicContact CD1-CB 3.8Å; V379-A409 HydrophobicContact CG2-CB 4.23Å; I381-A409 HydrophobicContact CD1-CB 4.32Å; N405-A409 WeakPolarHBondContact O-CB 3.07Å; N405-A409 PolarHBondContact O-N 3.01Å; A409-L413 VanDerWaalsContact O-CB 3.28Å; A409-L413 WeakPolarHBondContact O-CB 3.38Å; A409-L413 WeakPolarHBondContact O-CD1 2.94Å; A409-L413 WeakPolarHBondContact O-CG 3.49Å; A409-L413 PolarHBondContact O-N 3.29Å
410R93.3Very high81.8Confident11 Ų1158.4 Ų58.44%0.04232%0.324CS..Hα-helixtrans-67.7-40.4172.2175.3177.4-174.7-86.36112.8N134 L355 F357 M406 Y407 E408 L414N134-R410 PolarHBondContact O-NH2 3.49Å; N134-R410 PolarHBondContact OD1-NH1 2.88Å; N134-R410 PolarHBondContact OD1-NH2 2.86Å; L355-R410 HydrophobicContact CD2-CB 4.35Å; F357-R410 HydrophobicContact CD1-CB 4.18Å; F357-R410 HydrophobicContact CD1-CG 3.88Å; F357-R410 HydrophobicContact CD2-CG 4.14Å; F357-R410 HydrophobicContact CE1-CB 3.6Å; F357-R410 HydrophobicContact CE1-CG 3.66Å; F357-R410 HydrophobicContact CE2-CG 3.94Å; F357-R410 HydrophobicContact CG-CG 4.12Å; F357-R410 HydrophobicContact CZ-CB 3.82Å; F357-R410 HydrophobicContact CZ-CG 3.69Å; M406-R410 PolarHBondContact O-N 3.22Å; Y407-R410 WeakPolarHBondContact O-CB 3.12Å; Y407-R410 PolarHBondContact O-N 2.95Å; E408-R410 PolarHBondContact O-N 3.46Å; R410-L414 HydrophobicContact CG-CD1 3.73Å; R410-L414 HydrophobicContact CG-CG 4.33Å; R410-L414 WeakPolarHBondContact O-CB 3.31Å; R410-L414 VanDerWaalsContact O-CG 3.29Å; R410-L414 WeakPolarHBondContact O-CG 3.47Å; R410-L414 PolarHBondContact O-N 3.27Å; R410-L414 VanDerWaalsContact O-N 3.13Å
411R90.6Very high78.8Confident139 Ų13963.6 Ų63.653%0.52536%0.356SS..Hα-helixtrans-62.5-49.1178.5-71.8-17265.5144.54.8110.7Y407 E408 L414 G415 L416Y407-R411 WeakPolarHBondContact O-CG 3.21Å; Y407-R411 PolarHBondContact O-N 3.49Å; E408-R411 WeakPolarHBondContact O-CA 3.5Å; E408-R411 WeakPolarHBondContact O-CB 3.37Å; E408-R411 PolarHBondContact O-N 2.69Å; R411-L414 PolarHBondContact O-N 2.92Å; R411-G415 PolarHBondContact O-N 2.65Å; R411-L416 HydrophobicContact CB-CB 4.45Å; R411-L416 PolarHBondContact NE-O 2.75Å; R411-L416 PolarHBondContact NH2-O 2.79Å; R411-L416 PolarHBondContact O-N 2.79Å
412F90.4Very high75.6Confident56 Ų5663.5 Ų63.525%0.24637%0.372CS..Hα-helixtrans-56.5-54.8176.2-171.5-80.5000111.2C369 L373 E408 L414 G415 E417C369-F412 WeakPolarHBondContact SG-CE1 3.29Å; C369-F412 WeakPolarHBondContact SG-CZ 3.09Å; L373-F412 HydrophobicContact CD1-CB 4.09Å; L373-F412 HydrophobicContact CD1-CD1 4.03Å; L373-F412 HydrophobicContact CD1-CD2 4.25Å; L373-F412 HydrophobicContact CD1-CG 3.84Å; L373-F412 HydrophobicContact CD2-CB 4.25Å; L373-F412 HydrophobicContact CD2-CD1 3.66Å; L373-F412 HydrophobicContact CD2-CE1 4.39Å; L373-F412 HydrophobicContact CD2-CG 4.13Å; L373-F412 HydrophobicContact CG-CD1 4.44Å; E408-F412 PolarHBondContact O-N 2.82Å; F412-L414 PolarHBondContact O-N 3.42Å; F412-L414 VanDerWaalsContact O-N 3.09Å; F412-G415 PolarHBondContact O-N 2.94Å; F412-E417 WeakPolarHBondContact CD2-OE1 3.37Å; F412-E417 WeakPolarHBondContact CD2-OE2 3.28Å
413L90.1Very high72.5Confident2 Ų268.3 Ų68.31%0.0141%0.406CS..Hα-helixtrans-63-18.3-179.4-71.9174.9000114.6F357 I359 V365 L373 I381 I383 V394 A409F357-L413 HydrophobicContact CZ-CB 4.17Å; F357-L413 HydrophobicContact CZ-CD1 4.04Å; I359-L413 WeakPolarHBondContact CD1-O 3.43Å; V365-L413 HydrophobicContact CB-CD2 4.42Å; V365-L413 HydrophobicContact CG1-CD2 3.71Å; V365-L413 HydrophobicContact CG2-CD2 4.2Å; L373-L413 HydrophobicContact CD2-CD1 4.47Å; L373-L413 HydrophobicContact CD2-CD2 4.09Å; L373-L413 HydrophobicContact CD2-CG 3.9Å; I381-L413 HydrophobicContact CD1-CD1 4.26Å; I381-L413 HydrophobicContact CG2-CD1 3.98Å; I383-L413 HydrophobicContact CD1-CD2 4.33Å; V394-L413 HydrophobicContact CG1-CD1 3.86Å; A409-L413 VanDerWaalsContact O-CB 3.28Å; A409-L413 WeakPolarHBondContact O-CB 3.38Å; A409-L413 WeakPolarHBondContact O-CD1 2.94Å; A409-L413 WeakPolarHBondContact O-CG 3.49Å; A409-L413 PolarHBondContact O-N 3.29Å
414L86.9Confident69.3Low32 Ų3273.1 Ų73.117%0.16844%0.439CS..THydrogen-bonded Turntrans-98.94.8175.8-68.1177.6000113.4F357 I359 R410 R411 F412 L416F357-L414 HydrophobicContact CD2-CD1 4.33Å; F357-L414 HydrophobicContact CD2-CD2 4.21Å; F357-L414 HydrophobicContact CD2-CG 4.39Å; F357-L414 HydrophobicContact CE2-CD1 4.29Å; F357-L414 HydrophobicContact CE2-CD2 3.94Å; F357-L414 HydrophobicContact CE2-CG 3.94Å; I359-L414 HydrophobicContact CB-CD2 4.08Å; I359-L414 HydrophobicContact CG1-CD2 3.98Å; R410-L414 HydrophobicContact CG-CD1 3.73Å; R410-L414 HydrophobicContact CG-CG 4.33Å; R410-L414 WeakPolarHBondContact O-CB 3.31Å; R410-L414 VanDerWaalsContact O-CG 3.29Å; R410-L414 WeakPolarHBondContact O-CG 3.47Å; R410-L414 PolarHBondContact O-N 3.27Å; R410-L414 VanDerWaalsContact O-N 3.13Å; R411-L414 PolarHBondContact O-N 2.92Å; F412-L414 PolarHBondContact O-N 3.42Å; F412-L414 VanDerWaalsContact O-N 3.09Å; L414-L416 HydrophobicContact CB-CD1 3.88Å; L414-L416 HydrophobicContact CB-CG 3.8Å; L414-L416 HydrophobicContact CD1-CD1 4.07Å; L414-L416 PolarHBondContact O-N 2.8Å
415G78.1Confident66.1Low60 Ų6074 Ų7462%0.61945%0.45SS*.THydrogen-bonded Turntrans64.922-175.500000113.7R411 F412 E417R411-G415 PolarHBondContact O-N 2.65Å; F412-G415 PolarHBondContact O-N 2.94Å; G415-E417 PolarHBondContact O-N 3.27Å; G415-E417 VanDerWaalsContact O-N 3.07Å
416L72.2Confident63Low83 Ų8378.5 Ų78.544%0.43548%0.481SS..  trans-86.138.3-178.2-59.9176.3000112R411 L414R411-L416 HydrophobicContact CB-CB 4.45Å; R411-L416 PolarHBondContact NE-O 2.75Å; R411-L416 PolarHBondContact NH2-O 2.79Å; R411-L416 PolarHBondContact O-N 2.79Å; L414-L416 HydrophobicContact CB-CD1 3.88Å; L414-L416 HydrophobicContact CB-CG 3.8Å; L414-L416 HydrophobicContact CD1-CD1 4.07Å; L414-L416 PolarHBondContact O-N 2.8Å
417E52.8Low59.6Low100 Ų10084.1 Ų84.147%0.46752%0.52SS..  trans-95.3123.3-180-57.8-136.911200109.7F412 G415F412-E417 WeakPolarHBondContact CD2-OE1 3.37Å; F412-E417 WeakPolarHBondContact CD2-OE2 3.28Å; G415-E417 PolarHBondContact O-N 3.27Å; G415-E417 VanDerWaalsContact O-N 3.07Å
418S38.6Very low56.6Low103 Ų10391.3 Ų91.372%0.7256%0.56SS**  trans-72.1128.4164.146.90000108.9G420S418-G420 PolarHBondContact O-N 2.79Å
419N35.9Very low53.3Low176 Ų17692.1 Ų92.194%0.94158%0.582SS**SBendtrans-33.7117.4176.6-68.4-4.7000112.7
420G37.7Very low50.2Low74 Ų7499.9 Ų99.976%0.76362%0.622SS**  trans172.4-23.4176.400000118.3S418S418-G420 PolarHBondContact O-N 2.79Å
421V30.6Very low46.9Very low119 Ų119107 Ų10772%0.72166%0.661SS**  trans-120.888.4-177-170.80000111.4
422S27.6Very low44.3Very low105 Ų105105.7 Ų105.773%0.73467%0.671SS**  trans-75.7127.8162.4-570000109.5S424S422-S424 PolarHBondContact O-N 2.93Å; S422-S424 PolarHBondContact O-OG 2.72Å
423C29.3Very low41.1Very low121 Ų121109.2 Ų109.282%0.81870%0.697SS**  trans-62.397.8172.7-69.50000110.8
424S28.5Very low38.1Very low104 Ų104114.7 Ų114.773%0.72773%0.73SS**  trans-132.4143.4173.350.60000109.6S422S422-S424 PolarHBondContact O-N 2.93Å; S422-S424 PolarHBondContact O-OG 2.72Å
425S28.2Very low35.3Very low109 Ų109120.8 Ų120.876%0.76276%0.764SS**  trans-67.5151.2-163.6-51.40000113.6
426P32.5Very low32.8Very low130 Ų130121 Ų12184%0.84477%0.765SS**  trans-66.8138-177.128-35.5000112.2
427S24.4Very low30.8Very low119 Ų119123.9 Ų123.983%0.83279%0.789SS**  trans-135.3134.9165.7-73.80000109.1
428L32.3Very low29.5Very low187 Ų187123.5 Ų123.598%0.97980%0.797SS**  trans-83.4129.5-169.2-68.2164.2000112.1
429A25.1Very low29.2Very low104 Ų104125 Ų12586%0.8681%0.805SS**  trans-149.9133.515600000110
430L28.8Very low29Very low163 Ų163120.9 Ų120.985%0.85379%0.79SS**  trans-100.2145.4173.7-77.1147.2000109.6
431N25Very low28.6Very low161 Ų161124 Ų12486%0.86179%0.789SS**  -168.1151.9122.8-95.1-27.6000112.1
432P34.8Very low28.7Very low111 Ų111126 Ų12672%0.72179%0.793SS**  trans-120149.2-17039.6-27.3000115.4
433T24Very low29.1Very low130 Ų130123.7 Ų123.780%0.79878%0.777SS**  trans-143.5121.4160.247.80000113.6
434T27.8Very low29.5Very low117 Ų117123.9 Ų123.972%0.71878%0.776SS**  trans61.1105.9148.256.20000122.3
435N27.2Very low30.5Very low161 Ų161120.5 Ų120.586%0.86175%0.751SS**  76.895.2124.4-57.7-4.9000121.3
436G26Very low31.2Very low64 Ų64115.3 Ų115.366%0.6672%0.715SS**  trans177.2124.3155.500000111.8S438G436-S438 PolarHBondContact O-N 3.13Å
437P29.5Very low32Very low143 Ų143112.8 Ų112.893%0.92969%0.694SS**  trans-84.5110.4-174.531.4-33.1000112.8
438S24.8Very low33.2Very low92 Ų92111 Ų11164%0.64368%0.675SS**  trans-126.4137.716860.90000111G436 S440G436-S438 PolarHBondContact O-N 3.13Å; S438-S440 PolarHBondContact O-N 3.37Å; S438-S440 VanDerWaalsContact O-N 3.11Å
439P34.2Very low34.2Very low134 Ų134102.4 Ų102.487%0.8763%0.63SS**  trans-90.162.6-170.535.8-36.8000113.2
440S30.5Very low35.5Very low91 Ų9197.9 Ų97.964%0.63659%0.591SS**  trans-96.189.5178.552.90000112.9S438S438-S440 PolarHBondContact O-N 3.37Å; S438-S440 VanDerWaalsContact O-N 3.11Å
441L29.6Very low36.4Very low140 Ų14092.9 Ų92.973%0.73357%0.568SS**  trans-125.894.3159.7-76.3178.4000109.2
442I33.3Very low37.4Very low159 Ų15987.4 Ų87.482%0.81554%0.542SS*.  trans-82.4116173.7-60.7173.4000107.6
443C35Very low37.8Very low58 Ų5884 Ų8439%0.39252%0.523SS..  trans-90.4132.6169.1-570000109.1V445C443-V445 HydrophobicContact CB-CG2 3.71Å; C443-V445 PolarHBondContact O-N 3.29Å
444P38.3Very low38.6Very low124 Ų12481.1 Ų81.181%0.80552%0.52SS*.SBendtrans-71.2100.6173.729.3-33.2000109.3
445V48.7Very low39.3Very low34 Ų3479.1 Ų79.121%0.20650%0.504CS..  trans-138.3-16.4-176.9-164.60000112C443 I449C443-V445 HydrophobicContact CB-CG2 3.71Å; C443-V445 PolarHBondContact O-N 3.29Å; V445-I449 HydrophobicContact CG1-CD1 3.8Å; V445-I449 HydrophobicContact CG1-CG1 4.19Å; V445-I449 VanDerWaalsContact O-CB 3.3Å; V445-I449 WeakPolarHBondContact O-CB 3.36Å; V445-I449 WeakPolarHBondContact O-CD1 3.2Å; V445-I449 VanDerWaalsContact O-CG1 3.25Å; V445-I449 WeakPolarHBondContact O-CG1 3.5Å; V445-I449 PolarHBondContact O-N 2.84Å; V445-I449 VanDerWaalsContact O-N 3.11Å
446G43.2Very low39.7Very low0 Ų074 Ų740%049%0.489CS..Hα-helixtrans-65.4-42.2-179.900000112.5D378 D448 I449 L450D378-G446 WeakPolarHBondContact OD1-CA 3.39Å; D378-G446 WeakPolarHBondContact OD2-CA 2.76Å; D378-G446 PolarHBondContact OD2-N 3.39Å; G446-D448 VanDerWaalsContact C-N 3.3Å; G446-D448 PolarHBondContact O-N 3.12Å; G446-I449 CarbonylContact O-C 3.57Å; G446-I449 WeakPolarHBondContact O-CA 3.24Å; G446-I449 WeakPolarHBondContact O-CB 3.33Å; G446-I449 PolarHBondContact O-N 2.95Å; G446-I449 VanDerWaalsContact O-N 3.15Å; G446-L450 WeakPolarHBondContact O-CB 3.32Å; G446-L450 VanDerWaalsContact O-CG 3.27Å; G446-L450 WeakPolarHBondContact O-CG 3.15Å; G446-L450 PolarHBondContact O-N 3.1Å
447L48.8Very low40.4Very low77 Ų7774.1 Ų74.140%0.40347%0.474SS..Hα-helixtrans-64.6-38.2-177.1-164.569.7000111.4D378 L450 T451D378-L447 PolarHBondContact OD1-N 2.91Å; L447-L450 PolarHBondContact O-N 2.88Å; L447-T451 VanDerWaalsContact O-CB 3.29Å; L447-T451 WeakPolarHBondContact O-CB 3.33Å; L447-T451 PolarHBondContact O-N 3.39Å; L447-T451 PolarHBondContact O-OG1 2.85Å
448D50.4Low40.6Very low82 Ų8272.8 Ų72.844%0.43947%0.468SS..Hα-helixtrans-69.4-39.2176.3-121.322.7000112R301 G446 S452R301-D448 IonicContact CZ-OD1 3.18Å; R301-D448 IonicContact CZ-OD2 3.22Å; R301-D448 IonicContact NH1-OD1 3.96Å; R301-D448 PolarHBondContact NH1-OD1 2.8Å; R301-D448 IonicContact NH1-OD2 2.65Å; R301-D448 PolarHBondContact NH1-OD2 3.26Å; R301-D448 PolarHBondContact NH2-O 3.27Å; R301-D448 IonicContact NH2-OD1 2.66Å; R301-D448 PolarHBondContact NH2-OD1 2.73Å; R301-D448 IonicContact NH2-OD2 3.19Å; G446-D448 VanDerWaalsContact C-N 3.3Å; G446-D448 PolarHBondContact O-N 3.12Å; D448-S452 WeakPolarHBondContact O-CB 3.44Å; D448-S452 PolarHBondContact O-N 3Å
449I53.7Low40.9Very low6 Ų675.5 Ų75.53%0.03148%0.476CS..Hα-helixtrans-63.4-46.6172.6-80.2173000111.1F297 N305 V399 V445 G446 S452 A453F297-I449 HydrophobicContact CD1-CG2 4.09Å; F297-I449 HydrophobicContact CD2-CG2 3.6Å; F297-I449 VanDerWaalsContact CD2-O 3.23Å; F297-I449 WeakPolarHBondContact CD2-O 3.45Å; F297-I449 HydrophobicContact CE1-CG2 3.71Å; F297-I449 HydrophobicContact CE2-CB 4.44Å; F297-I449 HydrophobicContact CE2-CG2 3.19Å; F297-I449 WeakPolarHBondContact CE2-O 3.36Å; F297-I449 HydrophobicContact CG-CG2 4.05Å; F297-I449 HydrophobicContact CZ-CG2 3.25Å; N305-I449 HydrophobicContact CB-CD1 4.48Å; V399-I449 HydrophobicContact CG1-CG2 4.09Å; V445-I449 HydrophobicContact CG1-CD1 3.8Å; V445-I449 HydrophobicContact CG1-CG1 4.19Å; V445-I449 VanDerWaalsContact O-CB 3.3Å; V445-I449 WeakPolarHBondContact O-CB 3.36Å; V445-I449 WeakPolarHBondContact O-CD1 3.2Å; V445-I449 VanDerWaalsContact O-CG1 3.25Å; V445-I449 WeakPolarHBondContact O-CG1 3.5Å; V445-I449 PolarHBondContact O-N 2.84Å; V445-I449 VanDerWaalsContact O-N 3.11Å; G446-I449 CarbonylContact O-C 3.57Å; G446-I449 WeakPolarHBondContact O-CA 3.24Å; G446-I449 WeakPolarHBondContact O-CB 3.33Å; G446-I449 PolarHBondContact O-N 2.95Å; G446-I449 VanDerWaalsContact O-N 3.15Å; I449-S452 CarbonylContact O-C 3.57Å; I449-S452 PolarHBondContact O-N 3.1Å; I449-A453 PolarHBondContact O-N 3.29Å
450L52.1Low40.9Very low8 Ų876.7 Ų76.74%0.04247%0.474CS..Hα-helixtrans-66.5-39.3177.3-72.2169.5000111.9F297 F380 G446 L447 A453F297-L450 HydrophobicContact CE2-CD2 4.41Å; F380-L450 HydrophobicContact CB-CD1 4.46Å; G446-L450 WeakPolarHBondContact O-CB 3.32Å; G446-L450 VanDerWaalsContact O-CG 3.27Å; G446-L450 WeakPolarHBondContact O-CG 3.15Å; G446-L450 PolarHBondContact O-N 3.1Å; L447-L450 PolarHBondContact O-N 2.88Å; L450-A453 WeakPolarHBondContact O-CB 3.25Å; L450-A453 PolarHBondContact O-N 3.06Å; L450-A453 VanDerWaalsContact O-N 3.11Å
451T47.9Very low40.7Very low59 Ų5975.9 Ų75.936%0.36248%0.48SS..Hα-helixtrans-61.9-44.2173.3-59.60000110.9L447 A453 G454 L457L447-T451 VanDerWaalsContact O-CB 3.29Å; L447-T451 WeakPolarHBondContact O-CB 3.33Å; L447-T451 PolarHBondContact O-N 3.39Å; L447-T451 PolarHBondContact O-OG1 2.85Å; T451-A453 PolarHBondContact O-N 2.88Å; T451-G454 PolarHBondContact O-N 2.92Å; T451-L457 WeakPolarHBondContact OG1-CD1 3.42Å
452S44.8Very low40.7Very low45 Ų4579 Ų7932%0.31549%0.488SS..THydrogen-bonded Turntrans-72.5-1174.9-770000114.8R301 D448 I449 G454R301-S452 VanDerWaalsContact CG-OG 3.25Å; R301-S452 WeakPolarHBondContact CG-OG 3.24Å; R301-S452 PolarHBondContact NE-OG 3.41Å; D448-S452 WeakPolarHBondContact O-CB 3.44Å; D448-S452 PolarHBondContact O-N 3Å; I449-S452 CarbonylContact O-C 3.57Å; I449-S452 PolarHBondContact O-N 3.1Å; S452-G454 VanDerWaalsContact C-N 3.31Å
453A45Very low40.4Very low40 Ų4079.8 Ų79.833%0.33149%0.493SS..THydrogen-bonded Turntrans-82.9-1.717300000114.1F297 I449 L450 T451 L455F297-A453 HydrophobicContact CD2-CB 3.67Å; F297-A453 HydrophobicContact CE2-CB 3.78Å; I449-A453 PolarHBondContact O-N 3.29Å; L450-A453 WeakPolarHBondContact O-CB 3.25Å; L450-A453 PolarHBondContact O-N 3.06Å; L450-A453 VanDerWaalsContact O-N 3.11Å; T451-A453 PolarHBondContact O-N 2.88Å; A453-L455 VanDerWaalsContact C-N 3.28Å; A453-L455 HydrophobicContact CB-CD1 3.99Å; A453-L455 HydrophobicContact CB-CG 3.93Å; A453-L455 PolarHBondContact O-N 2.85Å
454G39.2Very low40Very low70 Ų7080.2 Ų80.272%0.72251%0.507SS*.THydrogen-bonded Turntrans70.520.7-17900000114.2T451 S452 G456T451-G454 PolarHBondContact O-N 2.92Å; S452-G454 VanDerWaalsContact C-N 3.31Å; G454-G456 PolarHBondContact O-N 3.22Å
455L43.7Very low39.4Very low74 Ų7479.3 Ų79.339%0.38751%0.51SS..SBendtrans-80.812.4-173.5-70.4176.7000115.3K397 A453K397-L455 HydrophobicContact CD-CD1 4.31Å; A453-L455 VanDerWaalsContact C-N 3.28Å; A453-L455 HydrophobicContact CB-CD1 3.99Å; A453-L455 HydrophobicContact CB-CG 3.93Å; A453-L455 PolarHBondContact O-N 2.85Å
456G34Very low38.3Very low54 Ų5484.4 Ų84.456%0.55754%0.542SS*.SBendtrans93.832.3166.700000116.8G454 S458G454-G456 PolarHBondContact O-N 3.22Å; G456-S458 PolarHBondContact O-N 3.49Å
457L42.7Very low37.6Very low66 Ų6688.5 Ų88.535%0.34658%0.576SS.*  trans-82.78.2175.5-65.4177000114.3F380 T451 N459F380-L457 HydrophobicContact CD2-CD2 4.49Å; F380-L457 HydrophobicContact CE2-CD2 4.31Å; T451-L457 WeakPolarHBondContact OG1-CD1 3.42Å; L457-N459 PolarHBondContact O-N 2.94Å
458S33.4Very low36.3Very low115 Ų11591.7 Ų91.780%0.80460%0.598SS**THydrogen-bonded Turntrans-71.811.5-171.8-43.80000116.4G456G456-S458 PolarHBondContact O-N 3.49Å
459N31Very low35.1Very low150 Ų15096.5 Ų96.580%0.80262%0.618SS**THydrogen-bonded Turntrans-125.80.8-167-91.797.5000115.9L457 G461L457-N459 PolarHBondContact O-N 2.94Å; N459-G461 PolarHBondContact O-N 2.65Å
460L34.3Very low33.6Very low159 Ų159102 Ų10283%0.83266%0.657SS**  trans-81.293.3164.2-83.3165.5000108.9F462L460-F462 PolarHBondContact O-N 3.04Å
461G26.6Very low32.4Very low73 Ų73109.5 Ų109.575%0.75370%0.696SS**  trans-71.2115.9-17900000112N459 L463N459-G461 PolarHBondContact O-N 2.65Å; G461-L463 PolarHBondContact O-N 2.66Å
462F28.1Very low31.7Very low207 Ų207112.5 Ų112.591%0.90872%0.717SS**  trans-74.7108.7173.4-133.7-89.5000109.6L460 G464L460-F462 PolarHBondContact O-N 3.04Å; F462-G464 PolarHBondContact O-N 2.78Å
463L27.8Very low30.7Very low174 Ų174114.1 Ų114.191%0.91173%0.732SS**  trans-73.1108.2168.9-79.6170.5000108.8G461G461-L463 PolarHBondContact O-N 2.66Å
464G25.4Very low29.7Very low67 Ų67117.7 Ų117.769%0.69176%0.755SS**PPolyproline II helixtrans-77.9126.1178.800000112.3F462F462-G464 PolarHBondContact O-N 2.78Å
465A26.3Very low28.9Very low106 Ų106119.1 Ų119.188%0.87676%0.76SS**PPolyproline II helixtrans-75.7135.2158.800000109.2
466T26.5Very low28.4Very low141 Ų141122.1 Ų122.187%0.86578%0.781SS**PPolyproline II helixtrans-81.4145.6-174.443.20000112.9
467A27.2Very low28.4Very low86 Ų86124.7 Ų124.771%0.71179%0.789SS**PPolyproline II helixtrans-72.1159.1178.900000112.9
468T23.1Very low27.6Very low143 Ų143128.7 Ų128.788%0.87781%0.81SS**  trans-121.2133.1156.746.60000109.4
469H24.4Very low27.2Very low184 Ų184129.3 Ų129.385%0.85281%0.809SS**  trans-108.8136.5168.7-85.4-88000108.6
470S22.1Very low27Very low122 Ų122127.6 Ų127.685%0.85380%0.804SS**  trans-152.7134145.444.30000111.4
471L27.6Very low26.7Very low164 Ų164127.1 Ų127.186%0.85980%0.802SS**  trans-103.2157163.4-88.5168.5000105.6
472P32.2Very low26.7Very low123 Ų123129.5 Ų129.580%0.79980%0.797SS**  -152156.467.739.3-18.3000119.9
473A23.1Very low26.6Very low78 Ų78124.2 Ų124.265%0.64579%0.786SS**  trans18135.1140.500000123.6
474S24.6Very low26.4Very low116 Ų116123.5 Ų123.581%0.81178%0.782SS**  trans66.8120.2130.866.60000122
475A23.8Very low26.5Very low100 Ų100127.4 Ų127.483%0.82679%0.787SS**  -155.6131.2123.800000111.5
476T32.7Very low26.5Very low136 Ų136128.2 Ų128.283%0.83479%0.786SS**  trans-114.9147.5151.154.10000106.3
477P34.4Very low26.4Very low109 Ų109125.5 Ų125.571%0.70878%0.778SS**  -150168.383.338.1-18.7000116.8
478N25.6Very low26.4Very low150 Ų150129.9 Ų129.980%0.80279%0.788SS**  trans17.5152.2142.5-48.5-16.7000121.9
479T25.1Very low26.7Very low127 Ų127128.4 Ų128.478%0.77978%0.784SS**  cis-125.4-107.65.9-39.40000112.7
480V26.1Very low28Very low115 Ų115125 Ų12570%0.69778%0.779SS**  cis-152.5105.2-3.4-166.80000112
481L27.4Very low28.2Very low149 Ų149127 Ų12778%0.7878%0.778SS**  trans61.3164.7165-65170.2000116.6
482N27.5Very low28.2Very low123 Ų123128.1 Ų128.166%0.65878%0.779SS**  cis-151.5153.14.8-144.9-23.3000112.6
483S24.6Very low27.9Very low95 Ų95128.5 Ų128.566%0.66478%0.78SS**  trans38.4154.6145.3-67.40000123.9
484L24.6Very low28.8Very low160 Ų160130.9 Ų130.984%0.83879%0.788SS**  cis-175.4168.4-32.9-115.2169.7000108.9
485N27.5Very low29.3Very low149 Ų149130.4 Ų130.480%0.79779%0.785SS**  trans-65.8149.1-176.1-78.8-33.8000116.5
486S25.8Very low30.7Very low123 Ų123131.7 Ų131.786%0.8679%0.785SS**  trans167.8168.3133.9-76.50000111.4
487A25.1Very low30.4Very low83 Ų83130.3 Ų130.369%0.68678%0.781SS**  cis-176.4134.6-4400000109.5
488L26.1Very low30.3Very low178 Ų178131 Ų13193%0.93278%0.784SS**  trans66.4164.3162.1-61.4169.1000120.7
489S30.7Very low31.6Very low112 Ų112129.2 Ų129.278%0.78378%0.78SS**  trans-94.5-164.8-175.1-27.30000111.9
490P51Low31.9Very low114 Ų114129.2 Ų129.274%0.7478%0.78SS**  cis-150.5-176.62146.1-24.5000120
491L27.4Very low33.2Very low162 Ų162129.8 Ų129.885%0.84879%0.786SS**  trans65.5122.7143.1-126.377.5000124.2
492Q26.4Very low33.7Very low188 Ų188127 Ų12788%0.87979%0.785SS**  -173.3173.8117.7-104.5179.81.300114
493T25.8Very low35.1Very low131 Ų131126.7 Ų126.780%0.80479%0.789SS**  trans-127.3176.5-170.760.90000110.5
494P41.8Very low35.7Very low128 Ų128127.5 Ų127.583%0.83180%0.795SS**  -144.5-16351.539.3-15000116.5
495S35.6Very low36.1Very low107 Ų107127.9 Ų127.975%0.74879%0.794SS**  trans-128.6176.1-166.964.20000115
496P53.3Low36.2Very low126 Ų126132.1 Ų132.182%0.81880%0.8SS**  -129.8-153.483.637.5-21.8000112.4
497S25.6Very low37.6Very low108 Ų108131.4 Ų131.476%0.75579%0.792SS**  cis-155.9-164.68.264.20000113.4
498T32.2Very low37.8Very low124 Ų124133 Ų13376%0.76180%0.798SS**  trans-150-179.9-173.327.30000111.7
499P53.8Low37.9Very low112 Ų112129.8 Ų129.873%0.72779%0.791SS**  cis-119.7157.46.122.61.7000115.4
500T31.7Very low37.8Very low126 Ų126132.9 Ų132.977%0.77380%0.797SS**  67.4149.562.245.80000117.1
501P53.6Low36.7Very low128 Ų128133.9 Ų133.983%0.83180%0.802SS**  cis-134.4-167.219.743.7-24.9000118.2
502A37.9Very low36.8Very low90 Ų90131 Ų13174%0.74480%0.795SS**  trans-130.1-168.8-179.900000112.5
503P56Low37.6Very low117 Ų117127.4 Ų127.476%0.7679%0.788SS**  -161.1156.899.740.1-19.7000121.8
504S38.7Very low37.8Very low112 Ų112128.8 Ų128.878%0.78379%0.785SS**  trans73.2175.5148.982.30000120.4
505M31.1Very low37Very low167 Ų167127 Ų12782%0.82378%0.775SS**  cis-152.1-169.54.8-129.2-143.2-164.600113
506W29.8Very low36.5Very low239 Ų239130.4 Ų130.491%0.90578%0.777SS**  trans-143.4-153.3-177.6-42.8-46.6000113.2
507P56.7Low35.1Very low107 Ų107129.8 Ų129.870%0.69577%0.771SS**  cis-138.5178.4-25.637.2-18.5000116.4
508S28.5Very low35.3Very low116 Ų116129.6 Ų129.681%0.81177%0.77SS**  163171.2128.7-71.40000115.1
509S28.4Very low35Very low112 Ų112132.2 Ų132.278%0.78377%0.774SS**  trans-151-171.4-147.4-50.50000117.9
510L29.1Very low33.6Very low176 Ų176133.8 Ų133.892%0.92178%0.775SS**  trans89148.8173.1-52171.1000115.6
511T26.4Very low33.4Very low136 Ų136133.3 Ų133.383%0.83477%0.772SS**  cis-149.7-179.64.7-166.90000113
512S29.8Very low32.1Very low102 Ų102135.9 Ų135.971%0.71378%0.775SS**  trans-123.9173.5171.7-148.20000110.5
513P44.3Very low32Very low112 Ų112139.7 Ų139.773%0.72778%0.777SS**  -154179.363.942.8-21.2000118.6
514Q29.6Very low31.3Very low160 Ų160139.6 Ų139.675%0.74878%0.776SS**  trans23.2151.8144.3-69-150.465.300123.3
515S25.4Very low30.6Very low89 Ų89140.2 Ų140.262%0.62278%0.775SS**  cis-161.6-135.1-7.9-87.80000108.9
516F25.4Very low30.5Very low180 Ų180137.6 Ų137.679%0.78977%0.769SS**  cis-164-150.94.2-132-34.2000113.2
517T23.8Very low30.6Very low113 Ų113134.7 Ų134.769%0.69377%0.765SS**  trans-138.7165.2-162.5490000112.8
518S29.1Very low29.5Very low103 Ų103133.2 Ų133.272%0.7276%0.762SS**  cis-177.5-158.1-15.2-80.30000108.4
519Q25Very low29.4Very low180 Ų180133.8 Ų133.884%0.84176%0.761SS**  trans77.4159.6172.5-57.8-171-19.700117.4
520L25.2Very low29.5Very low144 Ų144135.2 Ų135.275%0.75476%0.759SS**  cis-121.5150.4-10.3-8296.1000109.7
521V27.8Very low29.5Very low117 Ų117131.4 Ų131.471%0.70975%0.747SS**  67.1128.167.8-157.30000117.1
522M26.1Very low29.6Very low182 Ų182129.5 Ų129.590%0.89774%0.739SS**  trans111.3136.8159.1-73.2-49.1-17700121.8
523H35.6Very low29.6Very low170 Ų170131.6 Ų131.679%0.78774%0.741SS**  trans-90.5160.8172.4-112.8-74.8000111.2
524P40.9Very low29Very low114 Ų114133.3 Ų133.374%0.7474%0.743SS**  -139.8139.3105.531.2-14.2000112.9
525V24.4Very low28.9Very low125 Ų125134 Ų13476%0.75875%0.748SS**  86.6146.583.21760000114.7
526T28.8Very low28.9Very low113 Ų113135.1 Ų135.169%0.69376%0.756SS**  trans-54.9-175.4-178.964.90000116.2
527Q31.9Very low29Very low177 Ų177129.6 Ų129.683%0.82775%0.75SS**  cis-160.6178.710.4-137.5177.8108.200106.7
528A32.9Very low29.1Very low76 Ų76130.5 Ų130.563%0.62876%0.755SS**  cis-139.7-144.70.200000108
529T28.3Very low28.9Very low128 Ų128134.9 Ų134.979%0.78576%0.764SS**  cis-147.9172.111.745.60000108.4
530L30.3Very low28.9Very low143 Ų143129.8 Ų129.875%0.74976%0.76SS**  cis-150.6140.6-7.8-127.4173000108.2
531S29.4Very low28.8Very low95 Ų95133.4 Ų133.466%0.66477%0.765SS**  trans46.1148.1147.4600000123.9
532S27.1Very low28.7Very low96 Ų96132.7 Ų132.767%0.67176%0.761SS**  cis177.5150.2-16.9-98.70000111.3
533I30.5Very low28.7Very low147 Ų147132.3 Ų132.375%0.75476%0.757SS**  trans66.7138.7139.5-67.3169.2000118.9
534L31Very low28.3Very low148 Ų148128.4 Ų128.478%0.77575%0.749SS**  cis-167.2172.7-14.6-109.6-178.6000110.8
535M27.2Very low27.6Very low174 Ų174129 Ų12986%0.85775%0.75SS**  trans70.6169.6161.9-58.7-145.9-58.500118.9
536S27.1Very low28Very low113 Ų113129 Ų12979%0.7975%0.752SS**  cis-179.3152.2-43.1-170.30000109.8
537G26.1Very low28.1Very low63 Ų63128.7 Ų128.765%0.64976%0.755SS**  trans98.4111.5150.400000121.5
538V25.6Very low29.4Very low132 Ų132125.4 Ų125.480%0.875%0.749SS**  42.5120.4118.7179.80000122.1
539Q26.3Very low29.7Very low196 Ų196127.9 Ų127.992%0.91676%0.759SS**  trans42.7139.9143.4-61.3179.4-5.300123.9
540G24Very low30.4Very low73 Ų73127.7 Ų127.775%0.75376%0.76SS**  trans153.496.9161.600000112.3
541Y24Very low30.2Very low220 Ų220124 Ų12486%0.86376%0.756SS**  79.6118.869.9-116.1-102.7000117.4
542T24.5Very low30.1Very low102 Ų102128 Ų12863%0.62677%0.769SS**  trans49.5121.2154.648.10000122.3
543H27.4Very low30.2Very low174 Ų174127.7 Ų127.781%0.80677%0.772SS**  169.9145.6111.6-100.5-90000109.2
544S25.8Very low30.7Very low88 Ų88126.1 Ų126.162%0.61577%0.772SS**  cis-167.4148.9-23.240.70000109.8
545T27.6Very low30.6Very low126 Ų126126 Ų12677%0.77377%0.77SS**  trans-3.3144.714939.10000119
546P33.3Very low30.6Very low124 Ų124124.4 Ų124.481%0.80577%0.766SS**  -138.8162.859.738.9-22.4000119
547S29Very low30.5Very low108 Ų108128.1 Ų128.176%0.75577%0.767SS**  trans-117-153.7166.2-55.30000109.3
548P59.3Low30.8Very low107 Ų107133 Ų13370%0.69577%0.773SS**  -88.9-172.8-118.542-32.4000114.4
549P40.9Very low31.4Very low128 Ų128131.3 Ų131.383%0.83177%0.765SS**  -133.1167104.437-28.2000115
550P42.8Very low31.4Very low125 Ų125129.6 Ų129.681%0.81276%0.762SS**  trans-126.8-176.8-162.343.1-28.1000115.4
551G24.7Very low31.5Very low65 Ų65129.8 Ų129.867%0.6777%0.765SS**  trans127.7146.8165.200000113.3
552L27.7Very low31.8Very low179 Ų179125.8 Ų125.894%0.93776%0.762SS**  cis-144.7161.9-1.1-71.4171.4000110.2
553A28.8Very low32.5Very low89 Ų89126.5 Ų126.574%0.73677%0.769SS**  trans-115.3174.2157.700000107.8
554P42.4Very low32.3Very low115 Ų115126.2 Ų126.275%0.74777%0.768SS**  cis-129.8-130.63.440.3-19.8000111.6
555I27.1Very low32.1Very low144 Ų144128.3 Ų128.374%0.73878%0.781SS**  trans82108.8175.6-57.1163000112.6
556D27.6Very low31.9Very low142 Ų142128 Ų12876%0.75978%0.78SS**  cis81.9118.743.9-169.418.7000114.4
557K25.6Very low31.6Very low191 Ų191130.1 Ų130.183%0.8378%0.783SS**  trans174.5109153.6-99.6156.5-173.7176.40114.2
558Q32.5Very low31.4Very low164 Ų164132.7 Ų132.777%0.76679%0.788SS**  -75.1166.4125.7-83.2-82.6-31.400108
559P38.6Very low29.8Very low98 Ų98130.8 Ų130.864%0.63679%0.788SS**  cis-148.2-172.429.243.5-22.7000117.8
560N26.5Very low29.2Very low159 Ų159132.9 Ų132.985%0.8579%0.787SS**  trans65.3144.4147.6-79.7-0.2000122.5
561G24.8Very low28.5Very low78 Ų78132.5 Ų132.580%0.80478%0.781SS**  trans165.282.4162.400000116.3
562V30Very low28.5Very low135 Ų135138.2 Ų138.282%0.81879%0.788SS**  trans-128140.2160.9-142.50000106.9
563P39.7Very low28.7Very low117 Ų117136.6 Ų136.676%0.7678%0.775SS**  -129.415487.910.812.3000111.7
564E22.9Very low29.2Very low168 Ų168138.7 Ų138.779%0.78578%0.781SS**  cis81.6113.645-169.6179.6-146.700114.9
565C22.1Very low28.4Very low133 Ų133135.9 Ų135.990%0.89977%0.773SS**  trans-169.5156.4142.1-114.10000111.6
566T24.6Very low28.4Very low120 Ų120139 Ų13974%0.73678%0.777SS**  trans-115.2160.6-164.354.40000115
567L24.9Very low28.3Very low168 Ų168135.6 Ų135.688%0.8878%0.776SS**  trans-165.7175.2134.6-109166.4000114.4
568N25.9Very low28.4Very low161 Ų161137.3 Ų137.386%0.86178%0.777SS**  trans-118164.5-151.7-83.4-32.2000117.4
569G26Very low28.4Very low67 Ų67136.4 Ų136.469%0.69178%0.776SS**  trans132.1113.7161.800000112.7
570H27.9Very low27.7Very low173 Ų173136.7 Ų136.780%0.80179%0.787SS**  cis66.2111.133.1-137.1-80.3000111.4
571V27.3Very low27.7Very low116 Ų116135.6 Ų135.670%0.70379%0.786SS**  -166.5132.278.71560000113.1
572K25.3Very low27.8Very low186 Ų186136.6 Ų136.681%0.80979%0.787SS**  trans50.6115.1147.8-65.1177.4-177.7179.20124.8
573H31.3Very low27.6Very low145 Ų145135.1 Ų135.167%0.67178%0.783SS**  -26167127.6-89.9-54.4000118.6Y576H573-Y576 AromaticContact CE1-CE2 3.7Å; H573-Y576 AromaticContact NE2-CE2 3.72Å
574P39.9Very low27.1Very low133 Ų133137.1 Ų137.186%0.86479%0.786SS**  cis-137.5179.642.240.7-22.1000116.3
575G26.2Very low27.2Very low56 Ų56133.3 Ų133.358%0.57778%0.783SS**  cis-166.6144.5-500000108.8
576Y27.3Very low27.4Very low210 Ų210135.3 Ų135.382%0.82478%0.779SS**  43.4128.383-70.6-76.2000115.3H573H573-Y576 AromaticContact CE1-CE2 3.7Å; H573-Y576 AromaticContact NE2-CE2 3.72Å
577G25.4Very low27.6Very low70 Ų70134.5 Ų134.572%0.72277%0.774SS**  cis157.4159.5-9.600000114.8
578R27.2Very low27.7Very low227 Ų227132.8 Ų132.886%0.85777%0.771SS**  trans47.5124.4159.9-82.7-170.3161.7-135.7-1.7122.2
579L31.8Very low27.7Very low144 Ų144132.6 Ų132.675%0.75477%0.769SS**  54.7128.3127.3-55.2172.2000122
580A25.4Very low27.6Very low104 Ų104134.5 Ų134.586%0.8677%0.771SS**  trans-163.5175.4135.400000111.1
581T26.6Very low27.9Very low136 Ų136131.9 Ų131.983%0.83477%0.77SS**  trans-134.4144.6-168.351.40000115
582A27Very low27.9Very low99 Ų99132.5 Ų132.582%0.81877%0.774SS**  trans65.7129.815100000121.1
583S25.3Very low28.6Very low105 Ų105129.4 Ų129.473%0.73477%0.773SS**  148.4139.3106.4-157.60000115.6
584L28Very low28.2Very low158 Ų158128.5 Ų128.583%0.82778%0.781SS**  trans54.6118.8151.7-76.3165.6000124.2
585A25.7Very low27.6Very low88 Ų88128.9 Ų128.973%0.72778%0.776SS**  trans64.3164.713400000118.7
586E26.2Very low27.6Very low175 Ų175131.7 Ų131.782%0.81879%0.787SS**  cis-143.8169.26.5-83.6-161.7115.700108.2
587T28.2Very low27.5Very low103 Ų103125.9 Ų125.963%0.63278%0.782SS**  cis-172.9162.3-13.634.10000109.1
588V27.2Very low27.5Very low132 Ų132130.7 Ų130.780%0.879%0.786SS**  trans70.8140148.2159.80000116.8
589L25.5Very low27.4Very low158 Ų158127.3 Ų127.383%0.82778%0.78SS**  cis-124.6159.921.4-80.4163.3000114.7
590S25.7Very low27Very low106 Ų106124.5 Ų124.574%0.74178%0.778SS**  trans-123.4160.2138.363.20000108.5
591P33.9Very low26.9Very low118 Ų118124.9 Ų124.977%0.76677%0.774SS**  -147.9174.198.740.6-24.9000115.5
592T27.7Very low26.8Very low130 Ų130121.8 Ų121.880%0.79877%0.769SS**  trans-84.3-170.5162.155.90000109.8
593P38.8Very low26.8Very low121 Ų121125.7 Ų125.779%0.78677%0.77SS**  cis-131.3-176.1-8.243.1-28.1000113.7
594C23.7Very low26.7Very low125 Ų125125.6 Ų125.685%0.84577%0.77SS**  -165.6151.3119.8-158.20000111.3
595D26Very low27.2Very low142 Ų142123.4 Ų123.476%0.75977%0.765SS**  trans-102.1156.6171.3-172.110000110
596S26.8Very low27.1Very low115 Ų115124.6 Ų124.680%0.80477%0.768SS**  trans-168.1127.2171.5-77.20000111.4
597A25.8Very low27.1Very low87 Ų87124.6 Ų124.672%0.71977%0.768SS**  trans-112.9-163.5-179.300000112.1
598Q25.7Very low27.6Very low172 Ų172124.7 Ų124.780%0.80477%0.77SS**  trans72146.9170.2-72.7179.2-88.400116.6
599E23.4Very low27.7Very low155 Ų155126.2 Ų126.272%0.72477%0.773SS**  cis-164.4165.5-18.7-135.4178.7132.600110.9
600A24.8Very low27.7Very low86 Ų86124 Ų12471%0.71177%0.771SS**  trans60.3170.715100000120.1
601S22.6Very low27.9Very low111 Ų111123.3 Ų123.378%0.77677%0.766SS**  cis-164.7121.1-46.960.10000112.5
602G25Very low27.7Very low72 Ų72127.4 Ų127.474%0.74277%0.772SS**  trans63.2-174.5160.900000118.3
603H26.4Very low27.7Very low180 Ų180126.5 Ų126.583%0.83377%0.771SS**  cis-166133-31.8-133.5-70.2000111.8
604S23.7Very low27.2Very low103 Ų103128 Ų12872%0.7277%0.772SS**  trans70.6173.9163.3-36.60000116.7
605P38.3Very low28.7Very low112 Ų112127.1 Ų127.173%0.72777%0.765SS**  cis-138.8170-1.942.8-25.1000118.5
606S23.6Very low28.8Very low114 Ų114127.3 Ų127.380%0.79777%0.766SS**  trans60.1147.1140.260.80000126.8
607E26.7Very low29.2Very low175 Ų175131 Ų13182%0.81877%0.77SS**  trans-58-177.6158.4-65.8-173.797.500114.3
608P39.2Very low29.3Very low105 Ų105130.5 Ų130.568%0.68277%0.774SS**  cis-158.4170.427.345.7-22.5000123.8
609L28.4Very low29.8Very low164 Ų164127.4 Ų127.486%0.85977%0.771SS**  trans54.8150.7138.7-69.4167.7000126.8
610S26.3Very low30.1Very low111 Ų111127 Ų12778%0.77677%0.774SS**  trans96153.4149.6-160.80000120.8
611S29.5Very low30.6Very low91 Ų91128.6 Ų128.664%0.63678%0.775SS**  -170.7162.2-54.660.40000114.7
612K29.3Very low30.8Very low205 Ų205132 Ų13289%0.89178%0.776SS**  trans76.2162.1166.7-57.5-179.3178.4178.30118.3
613S27.4Very low31.1Very low111 Ų111134.2 Ų134.278%0.77678%0.775SS**  cis-150.7-178.613.157.10000116.1
614N28.1Very low31.5Very low153 Ų153132 Ų13282%0.81877%0.765SS**  trans-103-163.3-179.7-62.6-1000112.3
615P55.3Low32.1Very low106 Ų106133.6 Ų133.669%0.68877%0.77SS**  cis-149.9-158.87.748-24.9000119.6
616D28.3Very low31.7Very low146 Ų146130.7 Ų130.778%0.78176%0.76SS**  trans72.6169.5159.5-61.53.3000123
617E35.7Very low32Very low191 Ų191133 Ų13389%0.89376%0.761SS**  -167160.8-66.6-177.4161.3-151.500110.3
618G27.7Very low33.1Very low77 Ų77129.6 Ų129.679%0.79475%0.753SS**  trans163.7152.6169.900000117.8
619S36.3Very low32.5Very low108 Ų108136 Ų13676%0.75576%0.764SS**  trans-138.8172.9-170.9600000115.3
620D29Very low32.4Very low147 Ų147133.4 Ų133.479%0.78676%0.76SS**  -172.4175.6117.1-107.429.2000118.3
621T35.4Very low33Very low119 Ų119133.6 Ų133.673%0.7376%0.758SS**  trans-78178.9-154.966.20000115.8
622F27.1Very low32.9Very low182 Ų182133.8 Ų133.880%0.79876%0.76SS**  cis-154.5-164.518.3-155.4-164.1000109.1
623V32.3Very low32.7Very low118 Ų118132.5 Ų132.572%0.71576%0.756SS**  cis-151.8168.915.7-159.60000108.8
624E35Very low32.8Very low135 Ų135132.7 Ų132.763%0.63176%0.758SS**  trans-85.4-179.5160.1-129.2-146.7126.100111.3G626E624-G626 WeakPolarHBondContact OE1-CA 3.28Å
625V36Very low32.8Very low136 Ų136129.3 Ų129.382%0.82475%0.751SS**  cis-141.6167.628.7-77.30000111.6
626G28.6Very low31.4Very low50 Ų50132 Ų13252%0.51576%0.76SS.*  cis150.7158.7-7.200000114.6E624E624-G626 WeakPolarHBondContact OE1-CA 3.28Å
627M31.5Very low31.5Very low164 Ų164128.9 Ų128.981%0.80876%0.762SS**  trans65.2148.9168-59.6-63.1144.500120.1
628P48.4Very low31.1Very low102 Ų102125 Ų12566%0.66276%0.756SS**  -141.5144.4-51.836-19.1000115.3
629R26.4Very low31.5Very low239 Ų239130.6 Ų130.690%0.90276%0.761SS**  164.4105.6129.7-91.1165.8176.3157.20.5114.4
630S26.5Very low31Very low110 Ų110132.4 Ų132.477%0.76976%0.762SS**  trans7.2162.6130.7-38.90000121.5
631P40.2Very low30.9Very low115 Ų115133.5 Ų133.575%0.74776%0.76SS**  cis-143.9174.3-43.140-24.2000113.8
632S25.6Very low30.8Very low96 Ų96136.4 Ų136.467%0.67177%0.765SS**  165.6132.5129.5-77.50000114.4
633H26.8Very low30.7Very low177 Ų177135.6 Ų135.682%0.81977%0.766SS**  trans33.3117158.7-50.4-66.1000120
634S28.6Very low30.5Very low115 Ų115138 Ų13880%0.80477%0.774SS**  cis83.3141.424.3-159.10000117.2
635A27.4Very low30.1Very low82 Ų82136 Ų13668%0.67878%0.78SS**  trans67.3161.7168.900000118
636N26.3Very low29.5Very low163 Ų163134.1 Ų134.187%0.87277%0.773SS**  cis-164.9167-43.9-103.1-2.9000107.3
637G30.7Very low29.2Very low80 Ų80137.4 Ų137.483%0.82579%0.787SS**  trans-90.9127.5172.200000113.3
638S27Very low29Very low111 Ų111138.3 Ų138.378%0.77679%0.786SS**  trans-176.1142.9155.851.40000111.1
639E36.5Very low27.9Very low193 Ų193139.4 Ų139.490%0.90279%0.791SS**  trans-71.7143.1161.1-66.4178.999.500110.7
640L26.1Very low27.8Very low146 Ų146132.9 Ų132.976%0.76478%0.782SS**  trans-170.2135.2153.1-109.1167.6000111.3
641K27Very low27.7Very low171 Ų171133 Ų13374%0.74378%0.783SS**  trans41.3111.7158.8-71.8171.9-176.7174.40117.6
642Q32.6Very low27Very low179 Ų179131 Ų13184%0.83678%0.783SS**  42.488.458.2-162.8-170.432.300113.6
643M25.7Very low27Very low165 Ų165136.6 Ų136.681%0.81380%0.796SS**  trans-151.376.1164.5-131-178.678.700115
644L26.5Very low27.2Very low169 Ų169139.1 Ų139.189%0.88580%0.798SS**SBendtrans-123.3140.8132.9-87.4172.6000107S646L644-S646 PolarHBondContact O-N 3.1Å
645A28.5Very low27.4Very low93 Ų93141.5 Ų141.577%0.76980%0.796SS**  trans-13.8116.9-179.100000115.9
646S22.5Very low27.4Very low97 Ų97141.7 Ų141.768%0.67880%0.798SS**  cis59.8132.125.3-104.60000114.6L644L644-S646 PolarHBondContact O-N 3.1Å
647C21.9Very low27.5Very low118 Ų118139 Ų13980%0.79779%0.787SS**  trans67.7135.4-167.3-66.90000113.7
648K26.9Very low27.5Very low183 Ų183143.3 Ų143.380%0.79679%0.786SS**  cis-159.6173.85.2-100.8163-176.41780106.2
649T25.6Very low27.6Very low125 Ų125144.4 Ų144.477%0.76778%0.782SS**  cis-156.717410.7-10.40000111
650S24.4Very low27.3Very low102 Ų102142 Ų14271%0.71378%0.775SS**  trans-58.2160.8164.852.90000117.5
651S24.3Very low27.2Very low114 Ų114143.4 Ų143.480%0.79778%0.778SS**  trans72.987.6140.7-173.40000121
652G25.3Very low27.3Very low72 Ų72138.6 Ų138.674%0.74278%0.777SS**  81.6129.394.400000121.5
653K27.3Very low27.1Very low214 Ų214136.4 Ų136.493%0.9378%0.776SS**  trans-157.6152.1137.3-109.8167.8-175.8176.90110.5
654R30.6Very low27.4Very low229 Ų229137.6 Ų137.686%0.86478%0.776SS**  trans-88.8161.2173-53.5179.3-175.3-1720.2108.3
655Q31.2Very low27.6Very low165 Ų165135.3 Ų135.377%0.77177%0.765SS**  cis-141.5-155.425.2-135127.8-96.600108.5
656A27.8Very low27.5Very low87 Ų87135.7 Ų135.772%0.71976%0.762SS**  cis-167.7175.12.700000107.5
657V29.4Very low27.8Very low107 Ų107137.9 Ų137.965%0.64876%0.761SS**  cis-168.5130.7-27140.30000106.2
658E29.9Very low28.4Very low170 Ų170139.5 Ų139.579%0.79476%0.761SS**  trans59.1158.7163.8-67.8179.2139.400118.9
659L29.7Very low28.5Very low134 Ų134138.6 Ų138.670%0.70276%0.76SS**  cis-162.9175.6-16.8-115.3169.8000111.3
660L29Very low28.7Very low141 Ų141136.4 Ų136.474%0.73875%0.749SS**  trans78114.8152.8-72.7154.8000124.5
661Q24.8Very low28.8Very low177 Ų177138.3 Ų138.383%0.82775%0.751SS**  40.8136125.6-108.172.31600126.7
662G29.3Very low28.8Very low70 Ų70138.3 Ų138.372%0.72275%0.75SS**  trans91.7157.6147.400000117.6
663T27.8Very low28.9Very low133 Ų133142.4 Ų142.482%0.81675%0.754SS**  cis-161.3137.3-1122.30000108.6
664K32.6Very low29Very low189 Ų189140.4 Ų140.482%0.82275%0.752SS**  46.3141.8100.9-76.6-173.7179.1-177.80117.6
665N31.2Very low28.8Very low122 Ų122134.3 Ų134.365%0.65275%0.745SS**  cis-171.9156.9-18-139.746.6000112.6H667N665-H667 PolarHBondContact ND2-CE1 3.17Å; N665-H667 PolarHBondContact ND2-NE2 3.17Å
666S26.8Very low28.5Very low101 Ų101134 Ų13471%0.70675%0.749SS**  trans-165.2154.7165.557.40000111.6
667H28.6Very low28.5Very low142 Ų142134.4 Ų134.466%0.65775%0.752SS**  cis94.9136.3-4.8-43.3-37.9000117.1N665N665-H667 PolarHBondContact ND2-CE1 3.17Å; N665-H667 PolarHBondContact ND2-NE2 3.17Å
668L33.4Very low28.3Very low153 Ų153138.2 Ų138.280%0.80176%0.763SS**  cis-160.7-167.2-5-119.1175.3000114.2
669H28.4Very low28.1Very low164 Ų164135.6 Ų135.676%0.75976%0.763SS**  trans-65.5178.9175.9-93.5-122.8000117
670S30.2Very low27.9Very low78 Ų78134.5 Ų134.555%0.54577%0.767SS.*  cis-175.9173.4-28.358.40000112.5
671D26.5Very low27.8Very low143 Ų143133.1 Ų133.177%0.76577%0.768SS**  trans83.8150153.4-66.7-62000125.6
672C24.4Very low27.8Very low113 Ų113129.2 Ų129.276%0.76476%0.761SS**  trans81.8132.8154.3-85.90000125.1
673L28Very low27.7Very low158 Ų158134.1 Ų134.183%0.82777%0.771SS**  trans43.4134.3145.6-58.5176.5000122.4
674L30.3Very low27.7Very low172 Ų172131 Ų13190%0.90177%0.765SS**  trans-148.9163.6146.9-88.4-169.4000112.8
675S24.6Very low28.4Very low101 Ų101127.7 Ų127.771%0.70676%0.763SS**  trans-145.4151.1171.3-58.30000110
676D24.9Very low28.4Very low160 Ų160128.6 Ų128.686%0.85677%0.773SS**  trans61.7176.9159.4-56.1-37.3000120.3
677A29.2Very low28.5Very low94 Ų94127.7 Ų127.778%0.77777%0.771SS**  trans65.2116.1-166.400000115
678E24.1Very low28.7Very low188 Ų188126.9 Ų126.988%0.87977%0.771SS**  cis85.2153.743.5-68.2-13498.900115.3
679S27Very low28.8Very low115 Ų115127 Ų12780%0.80477%0.766SS**  trans64.1120.3-167.467.70000114.6
680S24.8Very low29Very low111 Ų111130.8 Ų130.878%0.77677%0.773SS**  cis96.8139.624.2-166.60000114.1
681S26.4Very low29.3Very low111 Ų111131.4 Ų131.478%0.77678%0.783SS**  trans65.8156176.676.50000116.8
682S25.9Very low29.7Very low96 Ų96130.8 Ų130.867%0.67179%0.786SS**  cis-173.8135-33.650.90000108.5
683D25.8Very low30Very low173 Ų173129.2 Ų129.293%0.92579%0.789SS**  trans55.7171.2179.6-60.1-39.5000114.1
684G28Very low30Very low68 Ų68127.2 Ų127.270%0.70179%0.789SS**  cis-156.2-177.4-2.200000110.5
685P47.1Very low29.9Very low118 Ų118125.7 Ų125.777%0.76678%0.777SS**  trans-115.3178.5-156.442.5-35.4000115.3
686V31.3Very low30.1Very low142 Ų142131.4 Ų131.486%0.86178%0.783SS**  trans72.7148.8153.21570000117.1
687A29.6Very low30.2Very low81 Ų81128.7 Ų128.767%0.66978%0.783SS**  cis-172.2178.7-3200000110.5
688D32.5Very low30Very low125 Ų125128.6 Ų128.667%0.66878%0.782SS**  trans81.3164.7141.8-161.420.1000119.8
689K36.8Very low30.1Very low157 Ų157128.2 Ų128.268%0.68378%0.781SS**  trans74.2134.1179.9-35.5-53.9174-163.10115
690R32.1Very low30Very low243 Ų243133.7 Ų133.792%0.91778%0.783SS**  cis-160.7159.5-13.6-133172.3179.5165.6-2.6109.5
691A35.3Very low29.9Very low90 Ų90132.9 Ų132.974%0.74478%0.784SS**  trans-112.6167-176.200000114.3
692P36Very low29.9Very low130 Ų130131.9 Ų131.984%0.84478%0.782SS**  -128.2150.9121.135.5-26.4000111
693G29.5Very low29.8Very low80 Ų80136.1 Ų136.183%0.82579%0.791SS**  101134.753.100000108.5
694S29.2Very low29.9Very low116 Ų116136.3 Ų136.381%0.81179%0.787SS**  cis-149.3136.88.849.40000108.7
695E27.1Very low29.8Very low141 Ų141139.2 Ų139.266%0.65979%0.786SS**  73.3114.475.4-165.5163.8-166.400117.6
696R29Very low28.7Very low220 Ų220139 Ų13983%0.8378%0.775SS**  trans30.6133.8154.6-62.1173.5-163.9138.313.5122.7
697A27.2Very low28.5Very low104 Ų104142.6 Ų142.686%0.8677%0.773SS**  -145.1153.1126.300000109.4
698A24.6Very low28.5Very low92 Ų92146.8 Ų146.876%0.7678%0.779SS**  trans-160116.1-17800000115.2
699E26.8Very low28.5Very low180 Ų180153 Ų15384%0.84179%0.793SS**  trans-158.3136.2167-111.2161.3173.800106.1
700R25.4Very low28.2Very low229 Ų229150.9 Ų150.986%0.86479%0.788SS**  57.2133.456.3-56.9-167.1-169.199.3-3.6111.9
701A22.8Very low28.9Very low95 Ų95150.8 Ų150.879%0.78579%0.787SS**  cis-146.3-168.514.200000112.7
702A25.1Very low28.5Very low89 Ų89153.2 Ų153.274%0.73679%0.787SS**  trans67126.5-174.200000113.7
703Q25.7Very low28.1Very low185 Ų185150.8 Ų150.886%0.86478%0.778SS**  cis62.7129.548.1-55.3-176.6-9.400111.2
704Q26.1Very low28Very low178 Ų178153.5 Ų153.583%0.83278%0.781SS**  cis-153.313932.8-148.2-178.9-23.600113.9
705N26.2Very low27.9Very low129 Ų129154.4 Ų154.469%0.6977%0.772SS**  trans76.6151.5147.3-148.424.8000124.2
706E25Very low28.3Very low114 Ų114152.8 Ų152.853%0.53377%0.772SS.*  trans7383.7149.6-131.474-112.300122.3
707R27.6Very low28.3Very low216 Ų216147.5 Ų147.582%0.81577%0.769SS**  trans65.683.5139.6-57.9-179.9-157.1-169.510.3120.6
708E28.6Very low28.9Very low169 Ų169149.8 Ų149.879%0.7976%0.76SS**  trans-74.7150.9145.7-74.6-163108.300112.7I710E708-I710 HydrophobicContact CB-CD1 4.15Å; E708-I710 HydrophobicContact CB-CG1 3.57Å
709R31.4Very low29.8Very low256 Ų256149.5 Ų149.597%0.96676%0.758SS**  trans-110.378.3174.5-172.3177.7179.6177.5-0.6109.5
710I30.8Very low30.7Very low112 Ų112148.1 Ų148.157%0.57476%0.756SS**  trans-77.6138.2-154.8-53.8173.9000114.2E708 L712E708-I710 HydrophobicContact CB-CD1 4.15Å; E708-I710 HydrophobicContact CB-CG1 3.57Å; I710-L712 HydrophobicContact CG2-CD2 4.17Å; I710-L712 HydrophobicContact CG2-CG 4.07Å
711R46.5Very low31.6Very low241 Ų241141.3 Ų141.391%0.90974%0.736SS**  trans-68.8127.1163.4-75.9173.9162.9-176.9-4110.4
712L27.7Very low33.5Very low141 Ų141143.8 Ų143.874%0.73873%0.731SS**  trans-134146.9174.2-73.7176.3000115.2I710I710-L712 HydrophobicContact CG2-CD2 4.17Å; I710-L712 HydrophobicContact CG2-CG 4.07Å
713A27.6Very low35Very low79 Ų79143.4 Ų143.465%0.65373%0.727SS**  trans-77.7178173.800000111.8Q715A713-Q715 PolarHBondContact O-N 3.4Å
714P28.1Very low36.6Very low138 Ų138142 Ų14290%0.89672%0.719SS**  trans-63.688.1-179.8-2335.6000113.7
715Q27.7Very low38.5Very low134 Ų134135.9 Ų135.963%0.62669%0.692SS**  trans-78.3144.6177.6-91.4-70.32.400112.7A713 S717A713-Q715 PolarHBondContact O-N 3.4Å; Q715-S717 PolarHBondContact O-N 2.91Å; Q715-S717 VanDerWaalsContact O-N 3.14Å
716T33.8Very low40.8Very low107 Ų107134.1 Ų134.166%0.65668%0.676SS**  trans-88.373.7-176.750.80000111.9F718 A719T716-F718 PolarHBondContact O-N 3.23Å; T716-A719 PolarHBondContact O-N 3.34Å
717S30.8Very low43Very low110 Ų110133.3 Ų133.377%0.76967%0.672SS**THydrogen-bonded Turntrans-66.919-170.4-48.50000117.5Q715Q715-S717 PolarHBondContact O-N 2.91Å; Q715-S717 VanDerWaalsContact O-N 3.14Å
718F38.5Very low45.3Very low151 Ų151127.7 Ų127.766%0.66266%0.656SS**THydrogen-bonded Turntrans-113-3.5178.1-81.9-80.6000114.3T716 N720T716-F718 PolarHBondContact O-N 3.23Å; F718-N720 VanDerWaalsContact C-N 3.3Å; F718-N720 PolarHBondContact O-N 3.48Å
719A42.8Very low47.3Very low87 Ų87122 Ų12272%0.71963%0.628SS**THydrogen-bonded Turntrans-77.5-0.2-169.100000116.2T716T716-A719 PolarHBondContact O-N 3.34Å
720N46.8Very low49.4Very low151 Ų151113.8 Ų113.881%0.80760%0.599SS**THydrogen-bonded Turntrans-147.442.1-171.1-137.4-5.9000115.8F718F718-N720 VanDerWaalsContact C-N 3.3Å; F718-N720 PolarHBondContact O-N 3.48Å
721M45.1Very low51.6Low86 Ų86114.2 Ų114.242%0.42460%0.602SS.*  trans-84.8121155.8-80.6-90.575.600108.6D725M721-D725 HydrophobicContact CE-CB 4.43Å; M721-D725 WeakPolarHBondContact CE-OD2 3.37Å
722Q61.5Low52.8Low146 Ų146106.9 Ų106.968%0.68258%0.58SS**  trans-64.5141.9170.9-70.3-175.5-10.300110.3F724 D725 Y726Q722-F724 PolarHBondContact O-N 2.96Å; Q722-F724 VanDerWaalsContact O-N 3.16Å; Q722-D725 PolarHBondContact O-N 2.86Å; Q722-Y726 PolarHBondContact O-N 2.88Å; Q722-Y726 VanDerWaalsContact O-N 3.17Å
723A56.8Low55Low81 Ų81100.8 Ų100.867%0.66955%0.551SS**Hα-helixtrans-57-34.9-174.700000113.4Y726 E727A723-Y726 PolarHBondContact O-N 2.96Å; A723-E727 PolarHBondContact O-N 3.28Å
724F58.5Low57.1Low156 Ų156100.4 Ų100.468%0.68454%0.541SS*.Hα-helixtrans-58.7-46.6174.3-179-93.7000112.5Q722 Y726 E727 Q728Q722-F724 PolarHBondContact O-N 2.96Å; Q722-F724 VanDerWaalsContact O-N 3.16Å; F724-Y726 VanDerWaalsContact C-N 3.35Å; F724-E727 PolarHBondContact O-N 2.91Å; F724-Q728 WeakPolarHBondContact O-CB 3.29Å; F724-Q728 PolarHBondContact O-N 3.12Å
725D67.8Low59.3Low50 Ų50101.1 Ų101.127%0.26753%0.53SS..Hα-helixtrans-72-31.1-177-167.914.5000111.6M721 Q722 K729M721-D725 HydrophobicContact CE-CB 4.43Å; M721-D725 WeakPolarHBondContact CE-OD2 3.37Å; Q722-D725 PolarHBondContact O-N 2.86Å; D725-K729 WeakPolarHBondContact O-CB 3.5Å; D725-K729 VanDerWaalsContact O-CG 3.23Å; D725-K729 WeakPolarHBondContact O-CG 3.12Å; D725-K729 PolarHBondContact O-N 3.43Å; D725-K729 IonicContact OD1-NZ 3.79Å; D725-K729 PolarHBondContact OD1-NZ 2.79Å; D725-K729 IonicContact OD2-NZ 2.66Å; D725-K729 PolarHBondContact OD2-NZ 3.35Å
726Y72.6Confident61.2Low91 Ų9197.6 Ų97.636%0.35752%0.523SS..Hα-helixtrans-66.6-45.2169.2-176.7-93.9000112.3Q722 A723 F724 K729 K730 L756 F758Q722-Y726 PolarHBondContact O-N 2.88Å; Q722-Y726 VanDerWaalsContact O-N 3.17Å; A723-Y726 PolarHBondContact O-N 2.96Å; F724-Y726 VanDerWaalsContact C-N 3.35Å; Y726-K729 PolarHBondContact O-N 3.44Å; Y726-K730 HydrophobicContact CE1-CD 4.48Å; Y726-K730 VanDerWaalsContact O-CB 3.28Å; Y726-K730 WeakPolarHBondContact O-CB 2.91Å; Y726-K730 PolarHBondContact O-N 3.39Å; Y726-L756 HydrophobicContact CD2-CD2 4.4Å; Y726-F758 HydrophobicContact CD1-CZ 4.27Å; Y726-F758 AromaticContact CD2-CZ 3.78Å; Y726-F758 HydrophobicContact CD2-CZ 3.78Å; Y726-F758 AromaticContact CE1-CE1 3.9Å; Y726-F758 HydrophobicContact CE1-CE1 3.9Å; Y726-F758 AromaticContact CE1-CZ 3.98Å; Y726-F758 HydrophobicContact CE1-CZ 3.98Å; Y726-F758 AromaticContact CE2-CE1 3.84Å; Y726-F758 HydrophobicContact CE2-CE1 3.84Å; Y726-F758 HydrophobicContact CE2-CE2 4.28Å; Y726-F758 AromaticContact CE2-CZ 3.44Å; Y726-F758 HydrophobicContact CE2-CZ 3.44Å; Y726-F758 VanDerWaalsContact CE2-CZ 3.44Å; Y726-F758 HydrophobicContact CG-CZ 4.19Å; Y726-F758 AromaticContact CZ-CE1 3.48Å; Y726-F758 VanDerWaalsContact CZ-CE1 3.48Å; Y726-F758 AromaticContact CZ-CZ 3.56Å
727E72.4Confident62.7Low97 Ų9799.1 Ų99.145%0.45352%0.524SS..Hα-helixtrans-66.4-37.9176.4-76.6-63.914100112.6A723 F724 K730 L731A723-E727 PolarHBondContact O-N 3.28Å; F724-E727 PolarHBondContact O-N 2.91Å; E727-K730 WeakPolarHBondContact O-CB 3.16Å; E727-K730 PolarHBondContact O-N 2.79Å; E727-K730 WeakPolarHBondContact OE1-CD 3.47Å; E727-K730 IonicContact OE1-NZ 2.75Å; E727-K730 PolarHBondContact OE1-NZ 3.34Å; E727-K730 WeakPolarHBondContact OE2-CD 3.03Å; E727-K730 IonicContact OE2-NZ 2.88Å; E727-K730 PolarHBondContact OE2-NZ 3.29Å; E727-L731 WeakPolarHBondContact O-CB 3.44Å; E727-L731 PolarHBondContact O-N 3.33Å
728Q74.8Confident64.4Low99 Ų99100.4 Ų100.446%0.46352%0.522SS..Hα-helixtrans-63-44173.7-174.2173.1-6.400111.5F724 L731 L732F724-Q728 WeakPolarHBondContact O-CB 3.29Å; F724-Q728 PolarHBondContact O-N 3.12Å; Q728-L731 PolarHBondContact O-N 2.83Å; Q728-L732 WeakPolarHBondContact O-CG 3.3Å; Q728-L732 PolarHBondContact O-N 3.21Å
729K72.5Confident65.6Low50 Ų50100.2 Ų100.222%0.21752%0.521CS..Hα-helixtrans-63.5-41.4174-75.5-179.117987.40112.4D725 Y726 L732 A733 W753 L756 F758D725-K729 WeakPolarHBondContact O-CB 3.5Å; D725-K729 VanDerWaalsContact O-CG 3.23Å; D725-K729 WeakPolarHBondContact O-CG 3.12Å; D725-K729 PolarHBondContact O-N 3.43Å; D725-K729 IonicContact OD1-NZ 3.79Å; D725-K729 PolarHBondContact OD1-NZ 2.79Å; D725-K729 IonicContact OD2-NZ 2.66Å; D725-K729 PolarHBondContact OD2-NZ 3.35Å; Y726-K729 PolarHBondContact O-N 3.44Å; K729-L732 PolarHBondContact O-N 2.8Å; K729-A733 WeakPolarHBondContact O-CB 3.38Å; K729-A733 PolarHBondContact O-N 2.91Å; K729-W753 HydrophobicContact CB-CZ3 3.88Å; K729-W753 HydrophobicContact CG-CZ3 4.16Å; K729-W753 WeakPolarHBondContact O-CZ3 3.2Å; K729-L756 HydrophobicContact CD-CD1 3.9Å; K729-F758 HydrophobicContact CB-CE2 3.94Å
730K74.4Confident66.3Low82 Ų82104.8 Ų104.836%0.35752%0.524SS..Hα-helixtrans-60.8-42.5174.5178.8179.7155.2-142.40112.5Y726 E727 T734 F758Y726-K730 HydrophobicContact CE1-CD 4.48Å; Y726-K730 VanDerWaalsContact O-CB 3.28Å; Y726-K730 WeakPolarHBondContact O-CB 2.91Å; Y726-K730 PolarHBondContact O-N 3.39Å; E727-K730 WeakPolarHBondContact O-CB 3.16Å; E727-K730 PolarHBondContact O-N 2.79Å; E727-K730 WeakPolarHBondContact OE1-CD 3.47Å; E727-K730 IonicContact OE1-NZ 2.75Å; E727-K730 PolarHBondContact OE1-NZ 3.34Å; E727-K730 WeakPolarHBondContact OE2-CD 3.03Å; E727-K730 IonicContact OE2-NZ 2.88Å; E727-K730 PolarHBondContact OE2-NZ 3.29Å; K730-T734 WeakPolarHBondContact O-CB 3.48Å; K730-T734 PolarHBondContact O-N 3.08Å; K730-T734 PolarHBondContact O-OG1 3.5Å; K730-F758 HydrophobicContact CB-CD1 4.3Å; K730-F758 HydrophobicContact CB-CE1 3.5Å; K730-F758 HydrophobicContact CB-CE2 4.47Å; K730-F758 HydrophobicContact CB-CZ 3.61Å; K730-F758 HydrophobicContact CD-CE1 4.3Å; K730-F758 HydrophobicContact CG-CD1 4.37Å; K730-F758 HydrophobicContact CG-CE1 3.82Å; K730-F758 HydrophobicContact CG-CZ 4.43Å
731L77.4Confident66.8Low121 Ų121102.4 Ų102.463%0.63452%0.518SS*.Hα-helixtrans-65.5-42.7176.3-177.862.6000111.5E727 Q728 T734 K735E727-L731 WeakPolarHBondContact O-CB 3.44Å; E727-L731 PolarHBondContact O-N 3.33Å; Q728-L731 PolarHBondContact O-N 2.83Å; L731-T734 PolarHBondContact O-N 2.93Å; L731-K735 WeakPolarHBondContact O-CB 3.19Å; L731-K735 PolarHBondContact O-N 3.3Å
732L71.8Confident67.3Low87 Ų87103 Ų10346%0.45553%0.525SS..Hα-helixtrans-63.8-44.5175.8-73169.7000112.3Q728 K729 T734 K735 A736 W753Q728-L732 WeakPolarHBondContact O-CG 3.3Å; Q728-L732 PolarHBondContact O-N 3.21Å; K729-L732 PolarHBondContact O-N 2.8Å; L732-T734 VanDerWaalsContact C-N 3.34Å; L732-T734 PolarHBondContact O-N 2.88Å; L732-K735 PolarHBondContact O-N 2.64Å; L732-A736 WeakPolarHBondContact O-CB 3.25Å; L732-A736 PolarHBondContact O-N 2.8Å; L732-W753 HydrophobicContact CB-CH2 3.83Å
733A73.8Confident66.9Low14 Ų14103.1 Ų103.112%0.11654%0.536CS..Hα-helixtrans-59.7-44.1174.300000111.7K729 A736 M737 W753 F758K729-A733 WeakPolarHBondContact O-CB 3.38Å; K729-A733 PolarHBondContact O-N 2.91Å; A733-A736 PolarHBondContact O-N 2.64Å; A733-M737 WeakPolarHBondContact O-CG 3.22Å; A733-M737 PolarHBondContact O-N 2.7Å; A733-W753 HydrophobicContact CB-CE3 4.45Å; A733-F758 HydrophobicContact CB-CB 4.17Å; A733-F758 HydrophobicContact CB-CD2 4.4Å; A733-F758 HydrophobicContact CB-CG 4.34Å
734T72.5Confident66.9Low71 Ų71105.4 Ų105.444%0.43654%0.542SS..Hα-helixtrans-62.2-44.6176.2-54.60000111.5K730 L731 L732 A736 M737 L738K730-T734 WeakPolarHBondContact O-CB 3.48Å; K730-T734 PolarHBondContact O-N 3.08Å; K730-T734 PolarHBondContact O-OG1 3.5Å; L731-T734 PolarHBondContact O-N 2.93Å; L732-T734 VanDerWaalsContact C-N 3.34Å; L732-T734 PolarHBondContact O-N 2.88Å; T734-A736 VanDerWaalsContact C-N 3.32Å; T734-A736 PolarHBondContact O-N 2.77Å; T734-M737 PolarHBondContact O-N 2.8Å; T734-L738 HydrophobicContact CG2-CD1 4.35Å; T734-L738 WeakPolarHBondContact O-CG 3.34Å; T734-L738 PolarHBondContact O-N 2.81Å
735K72.5Confident66.7Low153 Ų153104.3 Ų104.367%0.66554%0.539SS*.Hα-helixtrans-63.9-34.8176.8-170.3173.4-177.4176.10112.4L731 L732L731-K735 WeakPolarHBondContact O-CB 3.19Å; L731-K735 PolarHBondContact O-N 3.3Å; L732-K735 PolarHBondContact O-N 2.64Å
736A68.8Low65.9Low60 Ų60109 Ų10950%0.49657%0.569SS.*Hα-helixtrans-67.8-41.9174.100000112.2L732 A733 T734 L738 K739L732-A736 WeakPolarHBondContact O-CB 3.25Å; L732-A736 PolarHBondContact O-N 2.8Å; A733-A736 PolarHBondContact O-N 2.64Å; T734-A736 VanDerWaalsContact C-N 3.32Å; T734-A736 PolarHBondContact O-N 2.77Å; A736-L738 VanDerWaalsContact C-N 3.28Å; A736-L738 PolarHBondContact O-N 2.89Å; A736-K739 PolarHBondContact O-N 3.14Å
737M65.5Low64.9Low138 Ų138111 Ų11168%0.6858%0.576SS**Hα-helixtrans-64.6-29.2176.9-71.6-177.967.700113.6A733 T734A733-M737 WeakPolarHBondContact O-CG 3.22Å; A733-M737 PolarHBondContact O-N 2.7Å; T734-M737 PolarHBondContact O-N 2.8Å
738L65.1Low63.8Low137 Ų137112.2 Ų112.272%0.71759%0.59SS**Hα-helixtrans-78.4-15.9178.4-69.1168.4000113.6T734 A736 K740T734-L738 HydrophobicContact CG2-CD1 4.35Å; T734-L738 WeakPolarHBondContact O-CG 3.34Å; T734-L738 PolarHBondContact O-N 2.81Å; A736-L738 VanDerWaalsContact C-N 3.28Å; A736-L738 PolarHBondContact O-N 2.89Å; L738-K740 PolarHBondContact O-N 3.43Å
739K64.8Low62.6Low147 Ų147113.8 Ų113.864%0.63961%0.609SS**SBendtrans-83.692.9-179.7-168.6177.7-177.2-177.50111A736A736-K739 PolarHBondContact O-N 3.14Å
740K56.6Low61.8Low183 Ų183116.5 Ų116.580%0.79663%0.63SS**  trans-43.8136.5174.2-67.2-175.8-179.9179.80111.4L738L738-K740 PolarHBondContact O-N 3.43Å
741P56.8Low61Low102 Ų102118.7 Ų118.766%0.66265%0.646SS**  trans-69.6144.9175.429.8-34.1000110.9
742V56.3Low60Low97 Ų97117 Ų11759%0.58864%0.64SS**  trans-87.3140.9164.1179.60000107T744V742-T744 PolarHBondContact O-N 2.84Å; V742-T744 VanDerWaalsContact O-N 3.07Å
743V54.2Low59.4Low150 Ų150116.8 Ų116.891%0.90963%0.633SS**THydrogen-bonded Turntrans-67-14.1-163.5178.10000114
744T55.5Low58.5Low128 Ų128119.5 Ų119.579%0.78565%0.651SS**THydrogen-bonded Turntrans-101.52.1-170.352.50000115.7V742V742-T744 PolarHBondContact O-N 2.84Å; V742-T744 VanDerWaalsContact O-N 3.07Å
745E55Low57.9Low134 Ų134118.9 Ų118.963%0.62666%0.659SS**  trans-120.7126.4179.9-72.2-172.9151.100113.3
746V51.1Low57.5Low147 Ų147112.9 Ų112.989%0.89163%0.634SS**PPolyproline II helixtrans-85.7120.2168.6-179.20000109.4
747R50.5Low57.1Low133 Ų133112.9 Ų112.950%0.50264%0.64SS.*PPolyproline II helixtrans-96.5123.5178.2-66.5-176.3-178.2153.96.9111.7
748T49.6Very low56.9Low124 Ų124108.3 Ų108.376%0.76162%0.617SS**PPolyproline II helixtrans-78139.5167.937.70000111.1T750T748-T750 PolarHBondContact O-N 3.13Å
749P50.5Low56.2Low132 Ų132104.7 Ų104.786%0.85760%0.603SS**  trans-79.2115-179.930-33.3000111.9
750T55.8Low55.6Low107 Ų107107.6 Ų107.666%0.65662%0.615SS**  trans-80139.4175.4-33.20000111.6T748 T752T748-T750 PolarHBondContact O-N 3.13Å; T750-T752 WeakPolarHBondContact CG2-OG1 3.47Å; T750-T752 PolarHBondContact O-N 3Å
751N56.4Low54.8Low128 Ų128103 Ų10368%0.68461%0.607SS**G310 helixtrans-72.212-175.6-157.539.6000115.2W753 S754N751-W753 PolarHBondContact O-N 2.88Å; N751-W753 VanDerWaalsContact O-N 3.07Å; N751-S754 PolarHBondContact O-N 3.16Å; N751-S754 PolarHBondContact O-OG 3.36Å; N751-S754 WeakPolarHBondContact OD1-CB 3.15Å; N751-S754 PolarHBondContact OD1-OG 3.21Å
752T56.8Low54Low85 Ų85104 Ų10452%0.52160%0.604SS.*G310 helixtrans-62.5-17.3-172.4-43.80000114.5T750T750-T752 WeakPolarHBondContact CG2-OG1 3.47Å; T750-T752 PolarHBondContact O-N 3Å
753W59.3Low53.5Low83 Ų83103.1 Ų103.131%0.31460%0.6SS.*G310 helixtrans-120.44.2-170.4-45.2106000114K729 L732 A733 N751 G755 L756 F758K729-W753 HydrophobicContact CB-CZ3 3.88Å; K729-W753 HydrophobicContact CG-CZ3 4.16Å; K729-W753 WeakPolarHBondContact O-CZ3 3.2Å; L732-W753 HydrophobicContact CB-CH2 3.83Å; A733-W753 HydrophobicContact CB-CE3 4.45Å; N751-W753 PolarHBondContact O-N 2.88Å; N751-W753 VanDerWaalsContact O-N 3.07Å; W753-G755 PolarHBondContact O-N 3.48Å; W753-L756 PolarHBondContact O-N 2.82Å; W753-F758 HydrophobicContact CE3-CD2 4.28Å
754S55.3Low53Low70 Ų7099.2 Ų99.249%0.4958%0.584SS.*THydrogen-bonded Turntrans-61.9133.9-177.8610000112N751 L756N751-S754 PolarHBondContact O-N 3.16Å; N751-S754 PolarHBondContact O-OG 3.36Å; N751-S754 WeakPolarHBondContact OD1-CB 3.15Å; N751-S754 PolarHBondContact OD1-OG 3.21Å; S754-L756 PolarHBondContact O-N 3.09Å
755G59.3Low52.7Low58 Ų5899.7 Ų99.760%0.59858%0.577SS**THydrogen-bonded Turntrans78.9-12.817700000115.8W753 G757W753-G755 PolarHBondContact O-N 3.48Å; G755-G757 VanDerWaalsContact C-N 3.29Å; G755-G757 PolarHBondContact O-N 2.92Å
756L63.8Low52.3Low27 Ų2796 Ų9614%0.14156%0.563CS.*SBendtrans-83.75.4-179.5-67.4172.5000114.4Y726 K729 W753 S754 F758Y726-L756 HydrophobicContact CD2-CD2 4.4Å; K729-L756 HydrophobicContact CD-CD1 3.9Å; W753-L756 PolarHBondContact O-N 2.82Å; S754-L756 PolarHBondContact O-N 3.09Å; L756-F758 HydrophobicContact CB-CD2 3.7Å; L756-F758 HydrophobicContact CB-CE2 3.68Å; L756-F758 HydrophobicContact CB-CZ 4.45Å; L756-F758 HydrophobicContact CD1-CD2 4.5Å; L756-F758 HydrophobicContact CD1-CE2 4.14Å; L756-F758 HydrophobicContact CG-CE2 4.46Å; L756-F758 PolarHBondContact O-N 3.24Å; L756-F758 VanDerWaalsContact O-N 3.11Å
757G60.3Low52.4Low61 Ų6192.9 Ų92.963%0.62954%0.541SS*.SBendtrans71.40.6175.100000116.5G755 S759G755-G757 VanDerWaalsContact C-N 3.29Å; G755-G757 PolarHBondContact O-N 2.92Å; G757-S759 VanDerWaalsContact C-N 3.33Å; G757-S759 PolarHBondContact O-N 3.18Å
758F62.6Low52.6Low41 Ų4193.5 Ų93.518%0.1855%0.548CS..  trans-77.5-12.9-179.1-55.7-45000114.4Y726 K729 K730 A733 W753 L756Y726-F758 HydrophobicContact CD1-CZ 4.27Å; Y726-F758 AromaticContact CD2-CZ 3.78Å; Y726-F758 HydrophobicContact CD2-CZ 3.78Å; Y726-F758 AromaticContact CE1-CE1 3.9Å; Y726-F758 HydrophobicContact CE1-CE1 3.9Å; Y726-F758 AromaticContact CE1-CZ 3.98Å; Y726-F758 HydrophobicContact CE1-CZ 3.98Å; Y726-F758 AromaticContact CE2-CE1 3.84Å; Y726-F758 HydrophobicContact CE2-CE1 3.84Å; Y726-F758 HydrophobicContact CE2-CE2 4.28Å; Y726-F758 AromaticContact CE2-CZ 3.44Å; Y726-F758 HydrophobicContact CE2-CZ 3.44Å; Y726-F758 VanDerWaalsContact CE2-CZ 3.44Å; Y726-F758 HydrophobicContact CG-CZ 4.19Å; Y726-F758 AromaticContact CZ-CE1 3.48Å; Y726-F758 VanDerWaalsContact CZ-CE1 3.48Å; Y726-F758 AromaticContact CZ-CZ 3.56Å; K729-F758 HydrophobicContact CB-CE2 3.94Å; K730-F758 HydrophobicContact CB-CD1 4.3Å; K730-F758 HydrophobicContact CB-CE1 3.5Å; K730-F758 HydrophobicContact CB-CE2 4.47Å; K730-F758 HydrophobicContact CB-CZ 3.61Å; K730-F758 HydrophobicContact CD-CE1 4.3Å; K730-F758 HydrophobicContact CG-CD1 4.37Å; K730-F758 HydrophobicContact CG-CE1 3.82Å; K730-F758 HydrophobicContact CG-CZ 4.43Å; A733-F758 HydrophobicContact CB-CB 4.17Å; A733-F758 HydrophobicContact CB-CD2 4.4Å; A733-F758 HydrophobicContact CB-CG 4.34Å; W753-F758 HydrophobicContact CE3-CD2 4.28Å; L756-F758 HydrophobicContact CB-CD2 3.7Å; L756-F758 HydrophobicContact CB-CE2 3.68Å; L756-F758 HydrophobicContact CB-CZ 4.45Å; L756-F758 HydrophobicContact CD1-CD2 4.5Å; L756-F758 HydrophobicContact CD1-CE2 4.14Å; L756-F758 HydrophobicContact CG-CE2 4.46Å; L756-F758 PolarHBondContact O-N 3.24Å; L756-F758 VanDerWaalsContact O-N 3.11Å
759S50.3Low52.8Low62 Ų6292.6 Ų92.643%0.43454%0.535SS..SBendtrans-85.7142.3175.556.20000111.8G757 S761G757-S759 VanDerWaalsContact C-N 3.33Å; G757-S759 PolarHBondContact O-N 3.18Å; S759-S761 PolarHBondContact O-N 3.01Å; S759-S761 PolarHBondContact OG-OG 3.35Å
760K52Low52.8Low207 Ų20792.1 Ų92.190%0.952%0.524SS*.THydrogen-bonded Turntrans-75.152.8174.4-71.8-162.7172.9-171.30112.7
761S39.3Very low52.5Low87 Ų8795.1 Ų95.161%0.60852%0.523SS*.THydrogen-bonded Turntrans-129.89-17362.40000114.8S759S759-S761 PolarHBondContact O-N 3.01Å; S759-S761 PolarHBondContact OG-OG 3.35Å
762M39.3Very low52.3Low123 Ų12396.4 Ų96.461%0.60652%0.519SS*.SBendtrans-136.6130.5166.7-70.3-169.673.700110.8T766M762-T766 HydrophobicContact CE-CG2 3.67Å
763P46.3Very low51.9Low78 Ų7896.1 Ų96.151%0.50653%0.525SS..  trans-78.9156.6178.631.8-33.3000112.4E765 T766P763-E765 VanDerWaalsContact C-N 3.29Å; P763-E765 PolarHBondContact O-N 3.46Å; P763-T766 PolarHBondContact O-N 3.37Å
764A44.6Very low51.2Low69 Ų6997.7 Ų97.757%0.5754%0.54SS*.Hα-helixtrans-63.6-32.3-172.900000113.5T766 I767 K768A764-T766 VanDerWaalsContact C-N 3.34Å; A764-T766 PolarHBondContact O-N 2.98Å; A764-I767 PolarHBondContact O-N 2.71Å; A764-K768 PolarHBondContact O-N 3.39Å; A764-K768 VanDerWaalsContact O-N 3.07Å
765E49.4Very low50.5Low138 Ų138102.6 Ų102.665%0.64555%0.554SS**Hα-helixtrans-52.1-49173-80.460.4-144.200111.5P763 I767 K768 E769P763-E765 VanDerWaalsContact C-N 3.29Å; P763-E765 PolarHBondContact O-N 3.46Å; E765-I767 VanDerWaalsContact C-N 3.32Å; E765-I767 PolarHBondContact O-N 2.61Å; E765-K768 CarbonylContact O-C 3.5Å; E765-K768 WeakPolarHBondContact O-CA 3.41Å; E765-K768 WeakPolarHBondContact O-CB 3.25Å; E765-K768 PolarHBondContact O-N 3.26Å; E765-E769 WeakPolarHBondContact O-CB 3.47Å; E765-E769 PolarHBondContact O-N 3.41Å
766T46.3Very low49.7Very low55 Ų55105.8 Ų105.834%0.33756%0.562SS.*Hα-helixtrans-63.2-38.3-177.8-470000111.8M762 P763 A764 K768 E769 L770M762-T766 HydrophobicContact CE-CG2 3.67Å; P763-T766 PolarHBondContact O-N 3.37Å; A764-T766 VanDerWaalsContact C-N 3.34Å; A764-T766 PolarHBondContact O-N 2.98Å; T766-K768 VanDerWaalsContact C-N 3.26Å; T766-K768 PolarHBondContact O-N 3Å; T766-E769 WeakPolarHBondContact O-CB 3.34Å; T766-E769 PolarHBondContact O-N 2.78Å; T766-L770 WeakPolarHBondContact O-CB 3.4Å; T766-L770 PolarHBondContact O-N 2.6Å
767I52.3Low48.1Very low83 Ų83110.3 Ų110.343%0.42659%0.593SS.*Hα-helixtrans-70.5-25.3176.3-38.7178.9000111.2A764 E765 R771A764-I767 PolarHBondContact O-N 2.71Å; E765-I767 VanDerWaalsContact C-N 3.32Å; E765-I767 PolarHBondContact O-N 2.61Å; I767-R771 PolarHBondContact O-NE 3.29Å; I767-R771 PolarHBondContact O-NH2 3.47Å
768K55.8Low46.7Very low146 Ų146116.6 Ų116.664%0.63560%0.599SS**Hα-helixtrans-84.6-27.1176.3-157.1171.2-174.2176.20112.1A764 E765 T766 R772A764-K768 PolarHBondContact O-N 3.39Å; A764-K768 VanDerWaalsContact O-N 3.07Å; E765-K768 CarbonylContact O-C 3.5Å; E765-K768 WeakPolarHBondContact O-CA 3.41Å; E765-K768 WeakPolarHBondContact O-CB 3.25Å; E765-K768 PolarHBondContact O-N 3.26Å; T766-K768 VanDerWaalsContact C-N 3.26Å; T766-K768 PolarHBondContact O-N 3Å; K768-R772 PolarHBondContact O-N 3.32Å
769E52.3Low45Very low104 Ų104123.7 Ų123.749%0.48663%0.63SS.*Hα-helixtrans-70.5-52171.2-161.6110.9-91.300111.3E765 T766 R771 R772 A773E765-E769 WeakPolarHBondContact O-CB 3.47Å; E765-E769 PolarHBondContact O-N 3.41Å; T766-E769 WeakPolarHBondContact O-CB 3.34Å; T766-E769 PolarHBondContact O-N 2.78Å; E769-R771 PolarHBondContact O-N 3.02Å; E769-R772 WeakPolarHBondContact O-CA 3.42Å; E769-R772 WeakPolarHBondContact O-CB 3.14Å; E769-R772 PolarHBondContact O-N 2.93Å; E769-R772 IonicContact OE1-CZ 2.75Å; E769-R772 IonicContact OE1-NH1 2.72Å; E769-R772 PolarHBondContact OE1-NH1 3.43Å; E769-R772 IonicContact OE1-NH2 2.79Å; E769-R772 PolarHBondContact OE1-NH2 3.09Å; E769-A773 PolarHBondContact O-N 3.42Å; E769-A773 VanDerWaalsContact O-N 3.08Å
770L51Low44.2Very low122 Ų122126 Ų12664%0.63964%0.644SS**Hα-helixtrans-59.7-33179.8-145.380000112.1T766 N774T766-L770 WeakPolarHBondContact O-CB 3.4Å; T766-L770 PolarHBondContact O-N 2.6Å; L770-N774 PolarHBondContact O-ND2 2.86Å
771R50.8Low42.9Very low170 Ų170120.7 Ų120.764%0.64263%0.632SS**Hα-helixtrans-76-32.5173.2-80.1179.5-75.7173.9-9.5113.7I767 E769 A773 N774I767-R771 PolarHBondContact O-NE 3.29Å; I767-R771 PolarHBondContact O-NH2 3.47Å; E769-R771 PolarHBondContact O-N 3.02Å; R771-A773 VanDerWaalsContact C-N 3.28Å; R771-A773 PolarHBondContact O-N 2.97Å; R771-N774 PolarHBondContact O-N 3.01Å
772R51.2Low42.2Very low155 Ų155124.5 Ų124.559%0.58564%0.643SS**Hα-helixtrans-63-35.8171.6-107.7-175.3-67.4109.5-1.5111.9K768 E769 N774K768-R772 PolarHBondContact O-N 3.32Å; E769-R772 WeakPolarHBondContact O-CA 3.42Å; E769-R772 WeakPolarHBondContact O-CB 3.14Å; E769-R772 PolarHBondContact O-N 2.93Å; E769-R772 IonicContact OE1-CZ 2.75Å; E769-R772 IonicContact OE1-NH1 2.72Å; E769-R772 PolarHBondContact OE1-NH1 3.43Å; E769-R772 IonicContact OE1-NH2 2.79Å; E769-R772 PolarHBondContact OE1-NH2 3.09Å; R772-N774 PolarHBondContact O-N 3.43Å
773A48.4Very low41.9Very low80 Ų80123.2 Ų123.266%0.66165%0.646SS**THydrogen-bonded Turntrans-69.1-11.4179.200000115E769 R771E769-A773 PolarHBondContact O-N 3.42Å; E769-A773 VanDerWaalsContact O-N 3.08Å; R771-A773 VanDerWaalsContact C-N 3.28Å; R771-A773 PolarHBondContact O-N 2.97Å
774N44.4Very low40.9Very low115 Ų115126 Ų12662%0.61566%0.662SS**THydrogen-bonded Turntrans-118.29.8-171.4-76.1-81.7000114.9L770 R771 R772 V776L770-N774 PolarHBondContact O-ND2 2.86Å; R771-N774 PolarHBondContact O-N 3.01Å; R772-N774 PolarHBondContact O-N 3.43Å; N774-V776 VanDerWaalsContact C-N 3.35Å; N774-V776 PolarHBondContact O-N 3.25Å
775H41.3Very low40.1Very low173 Ų173128.7 Ų128.780%0.80167%0.671SS**  trans50.132.3159.8-107.8-82.1000119.5P777H775-P777 WeakPolarHBondContact O-CD 3.49Å
776V41.8Very low39.1Very low126 Ų126133 Ų13376%0.76468%0.683SS**  trans-89.5118.4172.3-177.50000111.3N774N774-V776 VanDerWaalsContact C-N 3.35Å; N774-V776 PolarHBondContact O-N 3.25Å
777P30.4Very low38.2Very low121 Ų121137.4 Ų137.479%0.78670%0.7SS**  trans-80138.7170.632.6-32.9000111.1H775H775-P777 WeakPolarHBondContact O-CD 3.49Å
778Y31Very low37Very low193 Ų193137.3 Ų137.376%0.75772%0.719SS**  trans-134.6126.2177.8-179.9-101.7000111.6P780Y778-P780 HydrophobicContact CE1-CB 4.03Å
779K27.5Very low35.5Very low190 Ų190135.1 Ų135.183%0.82672%0.723SS**  trans-93.2123.3165.7-72.7-175.8177.6-178.90108.7
780P31.7Very low35.1Very low111 Ų111135.5 Ų135.572%0.72173%0.734SS**  trans-73.5127.3167.430.3-31.5000109.8Y778Y778-P780 HydrophobicContact CE1-CB 4.03Å
781S25.1Very low34Very low95 Ų95137 Ų13766%0.66474%0.741SS**  trans-141.8116.5170.5-170.80000111.3
782M25.2Very low32.9Very low168 Ų168133.7 Ų133.783%0.82875%0.745SS**  trans60.7177.5158-62.6-61.597.600118.7
783S32.5Very low31.7Very low96 Ų96133.4 Ų133.467%0.67175%0.754SS**  trans-161.3141.3-141.851.50000113.2
784T26.1Very low30.7Very low136 Ų136134.7 Ų134.783%0.83476%0.758SS**  trans-137.2126.4159.652.10000106.7
785T27.6Very low30Very low126 Ų126140.5 Ų140.577%0.77377%0.771SS**  cis80.6108.347.3-53.40000112.8
786Y27.8Very low29.3Very low227 Ų227137.2 Ų137.289%0.8977%0.774SS**  trans-137.4150.9152.7-171-95000108.5
787E27.9Very low28.5Very low149 Ų149134.9 Ų134.970%0.69678%0.776SS**  trans-88.4166.4-164.2-101.3-70173.800115.1
788G26.4Very low28.4Very low81 Ų81134.5 Ų134.584%0.83578%0.776SS**  trans17347-177.900000116.8
789S25.8Very low28.3Very low100 Ų100134.8 Ų134.870%0.69978%0.776SS**  trans-110152.7167.9-135.50000111.2
790P43.6Very low28.3Very low112 Ų112133.1 Ų133.173%0.72777%0.771SS**  -151.7160.182.837.2-18.1000117.2
791L27.1Very low28.1Very low152 Ų152131.6 Ų131.680%0.79678%0.776SS**  169.3125.2110.2-89175.4000113.2
792S28.6Very low28.2Very low102 Ų102134.4 Ų134.471%0.71379%0.789SS**  trans59.6142146.1-62.60000121.1
793L25.5Very low28.3Very low149 Ų149129.8 Ų129.878%0.7878%0.784SS**  cis-164.9150.61.3-121.9170.7000112
794S27.8Very low28Very low107 Ų107133.3 Ų133.375%0.74880%0.796SS**  trans64.7147.7156.2410000121.1
795R28.4Very low27.9Very low236 Ų236130.8 Ų130.889%0.89180%0.796SS**  cis-169.4149.5-13.3179.3174.7-167.8168.63.2111.5
796A26.8Very low27.9Very low104 Ų104129.7 Ų129.786%0.8679%0.794SS**  trans66.7148.5172.600000117.1
797G25.7Very low27.9Very low78 Ų78125.3 Ų125.380%0.80479%0.786SS**  cis137145.1-3.100000111.6
798S28Very low27.9Very low113 Ų113123.2 Ų123.279%0.7979%0.787SS**  cis-167.5167.2-4.6-1680000110.8
799R28.3Very low28Very low198 Ų198126 Ų12675%0.74778%0.783SS**  trans65.2159.4168.3-53.4-16880.6-166.3-2.4117.1
800E28.5Very low28.2Very low155 Ų155127.2 Ų127.272%0.72478%0.782SS**  cis-168.8155.4-34.5-106.9157.9-129.200106.6
801G27Very low27.4Very low80 Ų80132.4 Ų132.483%0.82579%0.787SS**  trans162.1101.1171.600000116.4
802V28.4Very low27.4Very low153 Ų153134.4 Ų134.493%0.92778%0.784SS**  trans-84.3148.5178.4179.30000111.4
803G26.3Very low27.3Very low71 Ų71136.1 Ų136.173%0.73278%0.781SS**  trans177.7117.5164.900000116.3
804N27.1Very low27.4Very low171 Ų171138.3 Ų138.391%0.91478%0.779SS**  trans-75.3161.8174.3-65-8.4000112.8
805G24Very low27.3Very low82 Ų82140.7 Ų140.785%0.84578%0.783SS**  trans-175.5145.5162.600000111.9
806S27.8Very low27.2Very low103 Ų103133 Ų13372%0.7278%0.777SS**  trans-130.4174.9-177.7-161.50000112
807D26.4Very low27.1Very low136 Ų136136.7 Ų136.773%0.72778%0.782SS**  trans87108.8153.1-54.3-24000120.3
808S29.6Very low27.1Very low104 Ų104136.6 Ų136.673%0.72778%0.782SS**  67.1125.1127.970.60000122.7
809D28.1Very low26.9Very low141 Ų141138.8 Ų138.875%0.75478%0.784SS**  104.1156.4126-107.9-55.2000122.4
810N28.7Very low27.4Very low124 Ų124134.5 Ų134.566%0.66378%0.782SS**  trans-70158.2-166.4-69-90.6000114
811W27.1Very low27.2Very low222 Ų222133.3 Ų133.384%0.84178%0.78SS**  -179.8-157.6101-93.897.8000110.5
812R28.2Very low27.1Very low194 Ų194136.7 Ų136.773%0.73277%0.774SS**  trans-107.1161.9-156.3-64.6169-179.9-115.51.2115.1
813E26.8Very low26.9Very low138 Ų138134.2 Ų134.265%0.64576%0.76SS**  trans91.8146.3135.7-115.2179.5-99.600121.8
814R25.8Very low26.7Very low195 Ų195139.2 Ų139.274%0.73676%0.764SS**  trans74.9117.1156.5-68.6178.1-168.5-108.2-11.3122
815N27.5Very low26.5Very low157 Ų157140.5 Ų140.584%0.8476%0.762SS**  45.6119.9126.9-59.713.4000120.6
816G25.1Very low27.1Very low75 Ų75141.6 Ų141.677%0.77375%0.754SS**  trans-164.4114.6155.100000111.1
817N24.7Very low26.9Very low180 Ų180142.1 Ų142.196%0.96376%0.758SS**  trans-85.4144.7176.1-72.1-4.6000110.6
818G25.8Very low26.8Very low77 Ų77139.7 Ų139.779%0.79476%0.757SS**  trans-170.690175.700000115.2
819L23.9Very low26.6Very low159 Ų159141.6 Ų141.683%0.83276%0.763SS**  trans-101.3163.1153.5-98.7110.9000107.4
820P38.2Very low26.4Very low108 Ų108140.1 Ų140.170%0.70176%0.764SS**  cis-148178.639.143.5-23.2000118.4
821N25.6Very low26.1Very low129 Ų129139.2 Ų139.269%0.6977%0.768SS**  trans29.4153.9135.3-56.33.9000121.2
822H25.1Very low26.4Very low151 Ų151133.3 Ų133.370%0.69976%0.758SS**  cis-165.9154.717.5-151.1-118.4000112.9
823T24.2Very low26.1Very low102 Ų102133.2 Ų133.263%0.62676%0.763SS**  trans57.2158.9155.634.70000120.1
824E22Very low26Very low176 Ų176136 Ų13682%0.82277%0.767SS**  cis-144.8-178.110.7-146.5146.4-133.300113.9
825F21.7Very low25.9Very low198 Ų198133.9 Ų133.987%0.86876%0.763SS**  trans-99.1-173.8-175.5-99.9-107.7000111.5
826P37.6Very low25.7Very low105 Ų105132.2 Ų132.268%0.68275%0.751SS**  cis-145.3174.91745.2-25.9000120
827S24.1Very low25.7Very low114 Ų114135 Ų13580%0.79775%0.747SS**  trans69.2150.8149-66.40000119.6
828A24Very low25.7Very low85 Ų85136.2 Ų136.270%0.70274%0.744SS**  cis-155168.16.600000114.7
829V25.3Very low25.7Very low143 Ų143137.1 Ų137.187%0.86774%0.738SS**  trans78.4128.4146.8169.40000121.9
830S23.8Very low25.8Very low111 Ų111134.3 Ų134.378%0.77674%0.738SS**  trans84158158.5-145.30000120.8
831S21.7Very low25.6Very low105 Ų105133.7 Ų133.773%0.73474%0.742SS**  trans-147-166.1-171.4-63.60000106.6
832P33.1Very low25.6Very low98 Ų98135.1 Ų135.164%0.63675%0.745SS**  cis-142.9-166.20.943.7-24.2000115.3
833K23.1Very low25.7Very low191 Ų191134.4 Ų134.483%0.8374%0.742SS**  trans72.3160156.9-69.9166.8-170.31670117.3
834R24.5Very low25.9Very low198 Ų198138.6 Ų138.675%0.74775%0.747SS**  cis-177.3138.3-27.3173.6176.1-166.7-151.411.6110.1
835K22.8Very low26.2Very low150 Ų150137 Ų13765%0.65274%0.743SS**  trans65.5151.5165.2-79.6-172.3166.4-168.50116.2
836Q24.5Very low26.3Very low122 Ų122132.6 Ų132.657%0.5774%0.737SS**  cis78.891.324.8-172.3-150.242.800115.2
837N23.2Very low25.8Very low132 Ų132132.2 Ų132.271%0.70674%0.737SS**  -175.8165.9106.9-115.4-12.2000114.1
838K25.6Very low26Very low207 Ų207131.8 Ų131.890%0.973%0.734SS**  trans-141.5116.8163.6-179.3178.1-178.5176.70109.3
839S25.8Very low26.5Very low95 Ų95134.9 Ų134.966%0.66474%0.739SS**  trans-165.2131.8177.6550000111.8
840A26.6Very low26.9Very low100 Ų100137.1 Ų137.183%0.82673%0.733SS**  trans55.5130.9173.100000116.9
841A34.4Very low27.3Very low96 Ų96138 Ų13879%0.79373%0.727SS**  cis86.3110.526.800000115.1
842E24.7Very low27.6Very low159 Ų159140.6 Ų140.674%0.74373%0.732SS**  trans-153.8153.4174.7-74.9-158.5-167.700107.8
843H28.2Very low27.8Very low136 Ų136140.7 Ų140.763%0.6374%0.735SS**  cis-170.1-164.3-14.8-104.8-27.8000109
844Y26.5Very low28.3Very low190 Ų190139 Ų13975%0.74573%0.734SS**  trans83.4136.5159-61.1-86.5000118.1
845L28.4Very low28.6Very low141 Ų141135.4 Ų135.474%0.73874%0.739SS**  cis-164.4-172.1-20-132-165.1000112.3
846S24.4Very low29.1Very low106 Ų106133.4 Ų133.474%0.74174%0.744SS**  trans93.190.8167.9-143.10000114.8
847S27.1Very low29.5Very low98 Ų98133 Ų13369%0.68575%0.749SS**  75.8150.164.5-58.10000113.2
848S29.1Very low30Very low104 Ų104132 Ų13273%0.72775%0.748SS**  cis-116.6-153.86.363.10000111
849N34.3Very low30.1Very low151 Ų151125.6 Ų125.681%0.80774%0.74SS**  cis-143.7-120.312-15349.2000114.6
850Y32.8Very low30.5Very low189 Ų189126.7 Ų126.774%0.74175%0.748SS**  trans-146.4152.3-160.4-172.6-116.8000112.3
851M33.1Very low30.7Very low131 Ų131129.6 Ų129.665%0.64575%0.75SS**  trans81.370.8-176.9-71.2-68.1116.900118.7
852D28.2Very low30.7Very low158 Ų158128.2 Ų128.285%0.84575%0.745SS**  trans-161.382.8148.7-145.5-11.8000110.6
853S37Very low31.4Very low100 Ų100122.7 Ų122.770%0.69972%0.724SS**  trans-1156.1-159.7-60.80000116.9
854I33.6Very low32Very low157 Ų157122.4 Ų122.481%0.80573%0.727SS**SBendtrans-142.178174.9-43.3177.2000112.3
855S31.1Very low33.1Very low122 Ų122114.3 Ų114.385%0.85370%0.696SS**SBendtrans175.367.4147.7-84.80000114.2
856S32.2Very low34.1Very low108 Ų108111.9 Ų111.976%0.75568%0.684SS**  trans-150.722.6179.953.80000116.2
857V33.4Very low35.1Very low112 Ų112112.4 Ų112.468%0.67969%0.687SS**  trans-111.849.4-177.4-66.20000114.7
858T34.2Very low35.9Very low113 Ų113111.5 Ų111.569%0.69368%0.681SS**  trans-131.940.2166.350.50000112.3
859G27Very low36.9Very low71 Ų71109 Ų10973%0.73266%0.659SS**  trans-66.2133.3164.700000111N861G859-N861 PolarHBondContact O-N 2.83Å
860S34.4Very low37.4Very low119 Ų119112.3 Ų112.383%0.83267%0.667SS**  trans-77.386.1-160.7-49.20000115.3
861N31.7Very low38.3Very low161 Ų161107.1 Ų107.186%0.86167%0.67SS**  trans-92.471.9149.8-83.1-10.5000109.4G859 C863G859-N861 PolarHBondContact O-N 2.83Å; N861-C863 PolarHBondContact O-N 3.03Å; N861-C863 VanDerWaalsContact O-N 3.11Å
862G33.8Very low39.5Very low67 Ų67101.6 Ų101.669%0.69164%0.644SS**  trans-69.7100.2166.500000109.3N864G862-N864 PolarHBondContact O-N 3.41Å
863C38.5Very low41.6Very low43 Ų4399.9 Ų99.929%0.29164%0.635SS.*  trans-68.495.9177.143.50000109.8N861 L865 L881 E928N861-C863 PolarHBondContact O-N 3.03Å; N861-C863 VanDerWaalsContact O-N 3.11Å; C863-L865 HydrophobicContact CB-CD2 4.15Å; C863-L865 HydrophobicContact CB-CG 4.31Å; C863-L865 WeakPolarHBondContact O-CG 3.48Å; C863-L865 PolarHBondContact O-N 3.08Å; C863-L881 HydrophobicContact CB-CD2 4.42Å; C863-E928 PolarHBondContact SG-OE2 3.02Å
864N40.3Very low43.9Very low129 Ų12995.6 Ų95.669%0.6961%0.605SS**  trans-72.977.9-179.4-139.6-34.9000110.2G862 N866G862-N864 PolarHBondContact O-N 3.41Å; N864-N866 PolarHBondContact O-N 2.96Å; N864-N866 PolarHBondContact OD1-ND2 3.27Å
865L50.7Low46.3Very low20 Ų2090.8 Ų90.811%0.10558%0.583CS.*G310 helixtrans-67.3-0.5-174.1-65.4-177.8000113.6C863 S867 L869 L877 E928 L929C863-L865 HydrophobicContact CB-CD2 4.15Å; C863-L865 HydrophobicContact CB-CG 4.31Å; C863-L865 WeakPolarHBondContact O-CG 3.48Å; C863-L865 PolarHBondContact O-N 3.08Å; L865-S867 VanDerWaalsContact C-N 3.34Å; L865-S867 PolarHBondContact O-N 2.75Å; L865-L869 HydrophobicContact CB-CD1 3.77Å; L865-L869 HydrophobicContact CD1-CD1 4.31Å; L865-L869 HydrophobicContact CD2-CD1 4.24Å; L865-L869 HydrophobicContact CG-CD1 4.31Å; L865-L877 HydrophobicContact CD1-CD1 4.41Å; L865-L877 HydrophobicContact CD2-CD1 4.21Å; L865-E928 HydrophobicContact CD1-CG 4.41Å; L865-L929 HydrophobicContact CD1-CD1 4.31Å; L865-L929 HydrophobicContact CD1-CD2 3.81Å; L865-L929 HydrophobicContact CD1-CG 3.86Å
866N49.9Very low48.8Very low91 Ų9189.1 Ų89.149%0.48756%0.562SS.*G310 helixtrans-78.40.8-161.2-66.9-56.8000116.4N864 N932N864-N866 PolarHBondContact O-N 2.96Å; N864-N866 PolarHBondContact OD1-ND2 3.27Å; N866-N932 PolarHBondContact OD1-ND2 2.8Å
867S43.7Very low51.3Low116 Ų11684.2 Ų84.281%0.81153%0.527SS*.G310 helixtrans-128.80.5-171.5620000117L865L865-S867 VanDerWaalsContact C-N 3.34Å; L865-S867 PolarHBondContact O-N 2.75Å
868S44.8Very low53.9Low79 Ų7978.9 Ų78.955%0.55250%0.495SS*.SBendtrans-151.524.1-172.7-167.90000116.2
869L49.7Very low56.3Low52 Ų5277.2 Ų77.227%0.27249%0.488SS..  trans-115.632.1-178.2-52.3-176.6000114.3L865 G871 S872 L929L865-L869 HydrophobicContact CB-CD1 3.77Å; L865-L869 HydrophobicContact CD1-CD1 4.31Å; L865-L869 HydrophobicContact CD2-CD1 4.24Å; L865-L869 HydrophobicContact CG-CD1 4.31Å; L869-G871 VanDerWaalsContact C-N 3.34Å; L869-G871 PolarHBondContact O-N 3.07Å; L869-S872 WeakPolarHBondContact CD2-OG 3.45Å; L869-L929 HydrophobicContact CD1-CD2 3.58Å
870K45.2Very low58.9Low221 Ų22178.5 Ų78.596%0.96147%0.474SS*.SBendtrans-81.184.9161.9-83.9-168.4171.7-173.70108.9
871G50.8Low61.4Low79 Ų7973.9 Ų73.981%0.81444%0.44SS*.SBendtrans87.455.1174.700000114.8L869L869-G871 VanDerWaalsContact C-N 3.34Å; L869-G871 PolarHBondContact O-N 3.07Å
872S59Low63.9Low15 Ų1569.1 Ų69.111%0.10543%0.428CS..  trans-118.2125.7175.557.70000111.1L869 E876 L897L869-S872 WeakPolarHBondContact CD2-OG 3.45Å; S872-E876 WeakPolarHBondContact CB-OE2 3.45Å; S872-L897 WeakPolarHBondContact O-CD2 3.2Å
873D73.3Confident66.5Low122 Ų12266.2 Ų66.265%0.65240%0.397SS*.  trans-73.9162.1-175.4-54.3-53.4000114P875 E876 L877D873-P875 VanDerWaalsContact C-CD 3.41Å; D873-E876 PolarHBondContact O-N 3.12Å; D873-L877 PolarHBondContact O-N 3.26Å
874L84.2Confident68.7Low11 Ų1165.6 Ų65.66%0.05840%0.397CS..Hα-helixtrans-51.7-39.7-179.7-17164000114.6E876 L877 F878 F890 I895 L897 F900L874-E876 VanDerWaalsContact C-N 3.28Å; L874-E876 PolarHBondContact O-N 3.33Å; L874-L877 HydrophobicContact CD1-CD2 4.25Å; L874-L877 PolarHBondContact O-N 2.79Å; L874-F878 HydrophobicContact CD1-CD1 4.35Å; L874-F878 HydrophobicContact CD1-CE1 3.75Å; L874-F878 HydrophobicContact CD1-CE2 3.99Å; L874-F878 HydrophobicContact CD1-CZ 3.56Å; L874-F878 HydrophobicContact CD2-CE2 3.86Å; L874-F878 HydrophobicContact CD2-CZ 3.94Å; L874-F878 HydrophobicContact CG-CD2 4.16Å; L874-F878 HydrophobicContact CG-CE1 4.32Å; L874-F878 HydrophobicContact CG-CE2 3.64Å; L874-F878 HydrophobicContact CG-CZ 3.74Å; L874-F878 PolarHBondContact O-N 3.39Å; L874-F890 HydrophobicContact CD2-CB 3.94Å; L874-F890 HydrophobicContact CD2-CD1 4.02Å; L874-F890 HydrophobicContact CD2-CG 4.18Å; L874-I895 VanDerWaalsContact CD2-O 3.25Å; L874-I895 WeakPolarHBondContact CD2-O 3.46Å; L874-L897 HydrophobicContact CD1-CD1 4.02Å; L874-F900 HydrophobicContact CD1-CB 3.84Å; L874-F900 HydrophobicContact CD1-CD1 3.65Å; L874-F900 HydrophobicContact CD1-CD2 3.96Å; L874-F900 HydrophobicContact CD1-CE1 4.22Å; L874-F900 HydrophobicContact CD1-CG 3.51Å; L874-F900 HydrophobicContact CD2-CB 4.12Å; L874-F900 HydrophobicContact CD2-CG 4.41Å
875P84.1Confident70.9Confident55 Ų5566.7 Ų66.736%0.35740%0.396SS..Hα-helixtrans-55.4-36.4172.9-28.937000114.7D873 S879 T887D873-P875 VanDerWaalsContact C-CD 3.41Å; P875-S879 WeakPolarHBondContact O-CB 3.36Å; P875-S879 PolarHBondContact O-N 3.14Å; P875-S879 PolarHBondContact O-OG 3.22Å; P875-T887 HydrophobicContact CB-CG2 3.64Å; P875-T887 HydrophobicContact CG-CG2 3.69Å
876E83.9Confident72.7Confident88 Ų8867 Ų6741%0.41140%0.396SS..Hα-helixtrans-76.7-35.1-178.8-147.9-146.8166.300111.2S872 D873 L874 S879 K880S872-E876 WeakPolarHBondContact CB-OE2 3.45Å; D873-E876 PolarHBondContact O-N 3.12Å; L874-E876 VanDerWaalsContact C-N 3.28Å; L874-E876 PolarHBondContact O-N 3.33Å; E876-S879 PolarHBondContact O-N 2.75Å; E876-K880 WeakPolarHBondContact O-CB 3.46Å; E876-K880 WeakPolarHBondContact O-CD 3.47Å; E876-K880 VanDerWaalsContact O-CG 3.29Å; E876-K880 WeakPolarHBondContact O-CG 3.31Å; E876-K880 PolarHBondContact O-N 3.26Å; E876-K880 WeakPolarHBondContact OE1-CE 3.26Å; E876-K880 IonicContact OE1-NZ 3.24Å; E876-K880 PolarHBondContact OE1-NZ 2.99Å; E876-K880 IonicContact OE2-NZ 3.89Å; E876-K880 PolarHBondContact OE2-NZ 2.97Å
877L85.2Confident74.6Confident4 Ų463.4 Ų63.42%0.02138%0.377CS..Hα-helixtrans-62.2-49.1173179.861.4000111.1L865 D873 L874 S879 K880 L881 L897 F900 L929L865-L877 HydrophobicContact CD1-CD1 4.41Å; L865-L877 HydrophobicContact CD2-CD1 4.21Å; D873-L877 PolarHBondContact O-N 3.26Å; L874-L877 HydrophobicContact CD1-CD2 4.25Å; L874-L877 PolarHBondContact O-N 2.79Å; L877-S879 VanDerWaalsContact C-N 3.33Å; L877-S879 PolarHBondContact O-N 2.69Å; L877-K880 PolarHBondContact O-N 3.28Å; L877-L881 HydrophobicContact CD1-CD1 4.09Å; L877-L881 HydrophobicContact CD1-CG 4.41Å; L877-L881 HydrophobicContact CG-CD1 4.04Å; L877-L881 WeakPolarHBondContact O-CG 3.42Å; L877-L881 PolarHBondContact O-N 3.15Å; L877-L897 HydrophobicContact CD2-CD1 4.01Å; L877-F900 HydrophobicContact CD2-CD1 4.27Å; L877-F900 HydrophobicContact CD2-CE1 3.87Å; L877-L929 HydrophobicContact CD2-CD1 3.86Å
878F88.4Confident76.5Confident0 Ų062.3 Ų62.30%036%0.362CS..Hα-helixtrans-65.1-36.3176.3-66.8-20.7000112.6L874 K880 L881 G882 L883 G884 F890 F900 M922L874-F878 HydrophobicContact CD1-CD1 4.35Å; L874-F878 HydrophobicContact CD1-CE1 3.75Å; L874-F878 HydrophobicContact CD1-CE2 3.99Å; L874-F878 HydrophobicContact CD1-CZ 3.56Å; L874-F878 HydrophobicContact CD2-CE2 3.86Å; L874-F878 HydrophobicContact CD2-CZ 3.94Å; L874-F878 HydrophobicContact CG-CD2 4.16Å; L874-F878 HydrophobicContact CG-CE1 4.32Å; L874-F878 HydrophobicContact CG-CE2 3.64Å; L874-F878 HydrophobicContact CG-CZ 3.74Å; L874-F878 PolarHBondContact O-N 3.39Å; F878-K880 PolarHBondContact O-N 2.85Å; F878-L881 PolarHBondContact O-N 3.14Å; F878-G882 PolarHBondContact O-N 2.9Å; F878-L883 HydrophobicContact CB-CB 4.19Å; F878-L883 CarbonylContact O-C 3.55Å; F878-L883 WeakPolarHBondContact O-CA 3.4Å; F878-L883 PolarHBondContact O-N 2.86Å; F878-G884 PolarHBondContact O-N 3.11Å; F878-F890 HydrophobicContact CD2-CD2 4.49Å; F878-F890 HydrophobicContact CE2-CB 4.11Å; F878-F890 HydrophobicContact CE2-CD1 4.16Å; F878-F890 AromaticContact CE2-CD2 3.42Å; F878-F890 HydrophobicContact CE2-CD2 3.42Å; F878-F890 VanDerWaalsContact CE2-CD2 3.42Å; F878-F890 HydrophobicContact CE2-CE1 4.47Å; F878-F890 AromaticContact CE2-CE2 3.77Å; F878-F890 HydrophobicContact CE2-CE2 3.77Å; F878-F890 AromaticContact CE2-CG 3.63Å; F878-F890 HydrophobicContact CE2-CG 3.63Å; F878-F890 HydrophobicContact CE2-CZ 4.28Å; F878-F890 AromaticContact CZ-CD1 4Å; F878-F890 HydrophobicContact CZ-CD1 4Å; F878-F890 AromaticContact CZ-CD2 3.79Å; F878-F890 HydrophobicContact CZ-CD2 3.79Å; F878-F890 AromaticContact CZ-CE1 3.94Å; F878-F890 HydrophobicContact CZ-CE1 3.94Å; F878-F890 AromaticContact CZ-CE2 3.71Å; F878-F890 HydrophobicContact CZ-CE2 3.71Å; F878-F890 AromaticContact CZ-CG 3.93Å; F878-F890 HydrophobicContact CZ-CG 3.93Å; F878-F890 AromaticContact CZ-CZ 3.78Å; F878-F890 HydrophobicContact CZ-CZ 3.78Å; F878-F900 HydrophobicContact CE1-CD2 4.11Å; F878-F900 HydrophobicContact CE1-CE1 4.38Å; F878-F900 AromaticContact CE1-CE2 3.52Å; F878-F900 HydrophobicContact CE1-CE2 3.52Å; F878-F900 AromaticContact CE1-CZ 3.68Å; F878-F900 HydrophobicContact CE1-CZ 3.68Å; F878-F900 AromaticContact CZ-CD2 3.85Å; F878-F900 HydrophobicContact CZ-CD2 3.85Å; F878-F900 AromaticContact CZ-CE2 3.65Å; F878-F900 HydrophobicContact CZ-CE2 3.65Å; F878-F900 HydrophobicContact CZ-CZ 4.27Å; F878-M922 HydrophobicContact CD1-CE 4.15Å; F878-M922 HydrophobicContact CE1-CE 3.77Å; F878-M922 HydrophobicContact CE1-CG 4.15Å; F878-M922 HydrophobicContact CE2-CE 4.41Å; F878-M922 HydrophobicContact CZ-CE 3.9Å
879S84.8Confident78.6Confident79 Ų7960.6 Ų60.655%0.55235%0.348SS*.Hα-helixtrans-59.6-44.2172.3-63.50000111.8P875 E876 L877 G882P875-S879 WeakPolarHBondContact O-CB 3.36Å; P875-S879 PolarHBondContact O-N 3.14Å; P875-S879 PolarHBondContact O-OG 3.22Å; E876-S879 PolarHBondContact O-N 2.75Å; L877-S879 VanDerWaalsContact C-N 3.33Å; L877-S879 PolarHBondContact O-N 2.69Å; S879-G882 PolarHBondContact O-N 2.89Å
880K81.4Confident80.5Confident97 Ų9758.2 Ų58.242%0.42234%0.336SS..Hα-helixtrans-66.4-33.6176.7-73163.9-179.4165.90113.3E876 L877 F878 G882E876-K880 WeakPolarHBondContact O-CB 3.46Å; E876-K880 WeakPolarHBondContact O-CD 3.47Å; E876-K880 VanDerWaalsContact O-CG 3.29Å; E876-K880 WeakPolarHBondContact O-CG 3.31Å; E876-K880 PolarHBondContact O-N 3.26Å; E876-K880 WeakPolarHBondContact OE1-CE 3.26Å; E876-K880 IonicContact OE1-NZ 3.24Å; E876-K880 PolarHBondContact OE1-NZ 2.99Å; E876-K880 IonicContact OE2-NZ 3.89Å; E876-K880 PolarHBondContact OE2-NZ 2.97Å; L877-K880 PolarHBondContact O-N 3.28Å; F878-K880 PolarHBondContact O-N 2.85Å; K880-G882 VanDerWaalsContact C-N 3.31Å; K880-G882 PolarHBondContact O-N 3.27Å
881L85.2Confident82.4Confident23 Ų2354.1 Ų54.112%0.1232%0.32CS..Hα-helixtrans-80.8-6.2178.7-67.2170.6000114.3C863 L877 F878 L883 K921 A925C863-L881 HydrophobicContact CB-CD2 4.42Å; L877-L881 HydrophobicContact CD1-CD1 4.09Å; L877-L881 HydrophobicContact CD1-CG 4.41Å; L877-L881 HydrophobicContact CG-CD1 4.04Å; L877-L881 WeakPolarHBondContact O-CG 3.42Å; L877-L881 PolarHBondContact O-N 3.15Å; F878-L881 PolarHBondContact O-N 3.14Å; L881-L883 HydrophobicContact CB-CB 4.4Å; L881-L883 HydrophobicContact CB-CD1 3.93Å; L881-L883 HydrophobicContact CB-CG 3.99Å; L881-L883 HydrophobicContact CD1-CD1 4.32Å; L881-K921 PolarHBondContact O-NZ 3.23Å; L881-A925 HydrophobicContact CD1-CB 3.77Å; L881-A925 HydrophobicContact CD2-CB 4.42Å
882G85.1Confident84Confident60 Ų6057.9 Ų57.962%0.61932%0.317SS*.THydrogen-bonded Turntrans71.134.3-172.300000112.7F878 S879 K880F878-G882 PolarHBondContact O-N 2.9Å; S879-G882 PolarHBondContact O-N 2.89Å; K880-G882 VanDerWaalsContact C-N 3.31Å; K880-G882 PolarHBondContact O-N 3.27Å
883L88.2Confident85.2Confident7 Ų762 Ų624%0.03733%0.334CS..  trans-121.78.8-175.8-64-179.7000113F878 L881 K885 Y886 A918 K921 M922F878-L883 HydrophobicContact CB-CB 4.19Å; F878-L883 CarbonylContact O-C 3.55Å; F878-L883 WeakPolarHBondContact O-CA 3.4Å; F878-L883 PolarHBondContact O-N 2.86Å; L881-L883 HydrophobicContact CB-CB 4.4Å; L881-L883 HydrophobicContact CB-CD1 3.93Å; L881-L883 HydrophobicContact CB-CG 3.99Å; L881-L883 HydrophobicContact CD1-CD1 4.32Å; L883-K885 PolarHBondContact O-N 2.91Å; L883-Y886 HydrophobicContact CB-CD2 4.17Å; L883-Y886 HydrophobicContact CD2-CD2 4.2Å; L883-Y886 HydrophobicContact CD2-CE2 4.06Å; L883-Y886 WeakPolarHBondContact O-CD2 3.49Å; L883-Y886 PolarHBondContact O-N 2.97Å; L883-A918 HydrophobicContact CD2-CB 3.94Å; L883-K921 HydrophobicContact CD1-CB 3.89Å; L883-K921 HydrophobicContact CD1-CD 4.31Å; L883-K921 HydrophobicContact CD2-CD 3.99Å; L883-K921 HydrophobicContact CG-CD 4.26Å; L883-M922 HydrophobicContact CB-CE 4.33Å; L883-M922 HydrophobicContact CD1-CE 3.87Å; L883-M922 HydrophobicContact CD1-CG 3.73Å; L883-M922 HydrophobicContact CD1-SD 4.26Å
884G85.8Confident85.8Confident29 Ų2964.8 Ų64.830%0.29934%0.343SS..G310 helixtrans-54.4-22-17400000115.9F878 Y886 T887F878-G884 PolarHBondContact O-N 3.11Å; G884-Y886 PolarHBondContact O-N 2.68Å; G884-T887 VanDerWaalsContact O-CB 3.3Å; G884-T887 WeakPolarHBondContact O-CB 3.33Å; G884-T887 PolarHBondContact O-N 2.75Å; G884-T887 VanDerWaalsContact O-N 3.14Å; G884-T887 PolarHBondContact O-OG1 3.4Å
885K86.1Confident85.9Confident153 Ų15365.3 Ų65.367%0.66535%0.346SS*.G310 helixtrans-69-2.517267.5160.6-172.3154.80115.4L883L883-K885 PolarHBondContact O-N 2.91Å
886Y89Confident85.9Confident26 Ų2666.4 Ų66.410%0.10235%0.349CS..G310 helixtrans-105.8-11.3171.8-59.9-76.5000112.1L883 G884 D888 V889 F890 I913 T915 A918 M922L883-Y886 HydrophobicContact CB-CD2 4.17Å; L883-Y886 HydrophobicContact CD2-CD2 4.2Å; L883-Y886 HydrophobicContact CD2-CE2 4.06Å; L883-Y886 WeakPolarHBondContact O-CD2 3.49Å; L883-Y886 PolarHBondContact O-N 2.97Å; G884-Y886 PolarHBondContact O-N 2.68Å; Y886-D888 VanDerWaalsContact C-N 3.26Å; Y886-D888 PolarHBondContact O-N 3.34Å; Y886-V889 WeakPolarHBondContact O-CB 3.44Å; Y886-V889 PolarHBondContact O-N 2.76Å; Y886-F890 WeakPolarHBondContact O-CD2 3.39Å; Y886-F890 PolarHBondContact O-N 2.92Å; Y886-I913 HydrophobicContact CD1-CG1 4.32Å; Y886-I913 HydrophobicContact CD1-CG2 4.09Å; Y886-I913 HydrophobicContact CE1-CG2 3.78Å; Y886-T915 PolarHBondContact OH-OG1 2.83Å; Y886-A918 HydrophobicContact CD2-CB 4.4Å; Y886-A918 HydrophobicContact CE2-CB 3.6Å; Y886-M922 HydrophobicContact CD2-CE 4.17Å; Y886-M922 HydrophobicContact CG-CE 4.21Å
887T88.6Confident86Confident15 Ų1564.9 Ų64.99%0.09234%0.343CS..Hα-helixtrans-50.7-47.1-178-60.70000112P875 G884 V889 F890 Q891P875-T887 HydrophobicContact CB-CG2 3.64Å; P875-T887 HydrophobicContact CG-CG2 3.69Å; G884-T887 VanDerWaalsContact O-CB 3.3Å; G884-T887 WeakPolarHBondContact O-CB 3.33Å; G884-T887 PolarHBondContact O-N 2.75Å; G884-T887 VanDerWaalsContact O-N 3.14Å; G884-T887 PolarHBondContact O-OG1 3.4Å; T887-V889 PolarHBondContact O-N 3.42Å; T887-F890 PolarHBondContact O-N 3.48Å; T887-F890 VanDerWaalsContact O-N 3.17Å; T887-Q891 WeakPolarHBondContact O-CB 3.39Å; T887-Q891 PolarHBondContact O-N 2.97Å
888D84.7Confident85.8Confident93 Ų9368.7 Ų68.750%0.49736%0.361SS..Hα-helixtrans-60.7-32-177.1-43.2-43.6000111.9Y886 Q891 Q892Y886-D888 VanDerWaalsContact C-N 3.26Å; Y886-D888 PolarHBondContact O-N 3.34Å; D888-Q891 PolarHBondContact O-N 3.36Å; D888-Q892 VanDerWaalsContact O-CB 3.28Å; D888-Q892 WeakPolarHBondContact O-CB 3.38Å; D888-Q892 WeakPolarHBondContact O-CG 3.41Å; D888-Q892 PolarHBondContact O-N 3.37Å
889V88.6Confident85.7Confident43 Ų4371.8 Ų71.826%0.26138%0.38SS..Hα-helixtrans-71.8-39.5179.7-173.30000111.7Y886 T887 Q893 L911Y886-V889 WeakPolarHBondContact O-CB 3.44Å; Y886-V889 PolarHBondContact O-N 2.76Å; T887-V889 PolarHBondContact O-N 3.42Å; V889-Q893 PolarHBondContact O-N 3.49Å; V889-L911 WeakPolarHBondContact CG1-O 3.32Å
890F88.8Confident85.9Confident2 Ų268 Ų681%0.00935%0.354CS..Hα-helixtrans-72.8-37.1174.9-73.5-103.4000111L874 F878 Y886 T887 Q893 E894 I895 F900 L903 L908 L911 I913 M922L874-F890 HydrophobicContact CD2-CB 3.94Å; L874-F890 HydrophobicContact CD2-CD1 4.02Å; L874-F890 HydrophobicContact CD2-CG 4.18Å; F878-F890 HydrophobicContact CD2-CD2 4.49Å; F878-F890 HydrophobicContact CE2-CB 4.11Å; F878-F890 HydrophobicContact CE2-CD1 4.16Å; F878-F890 AromaticContact CE2-CD2 3.42Å; F878-F890 HydrophobicContact CE2-CD2 3.42Å; F878-F890 VanDerWaalsContact CE2-CD2 3.42Å; F878-F890 HydrophobicContact CE2-CE1 4.47Å; F878-F890 AromaticContact CE2-CE2 3.77Å; F878-F890 HydrophobicContact CE2-CE2 3.77Å; F878-F890 AromaticContact CE2-CG 3.63Å; F878-F890 HydrophobicContact CE2-CG 3.63Å; F878-F890 HydrophobicContact CE2-CZ 4.28Å; F878-F890 AromaticContact CZ-CD1 4Å; F878-F890 HydrophobicContact CZ-CD1 4Å; F878-F890 AromaticContact CZ-CD2 3.79Å; F878-F890 HydrophobicContact CZ-CD2 3.79Å; F878-F890 AromaticContact CZ-CE1 3.94Å; F878-F890 HydrophobicContact CZ-CE1 3.94Å; F878-F890 AromaticContact CZ-CE2 3.71Å; F878-F890 HydrophobicContact CZ-CE2 3.71Å; F878-F890 AromaticContact CZ-CG 3.93Å; F878-F890 HydrophobicContact CZ-CG 3.93Å; F878-F890 AromaticContact CZ-CZ 3.78Å; F878-F890 HydrophobicContact CZ-CZ 3.78Å; Y886-F890 WeakPolarHBondContact O-CD2 3.39Å; Y886-F890 PolarHBondContact O-N 2.92Å; T887-F890 PolarHBondContact O-N 3.48Å; T887-F890 VanDerWaalsContact O-N 3.17Å; F890-Q893 CarbonylContact O-C 3.28Å; F890-Q893 PolarHBondContact O-N 3.08Å; F890-E894 PolarHBondContact O-N 3.5Å; F890-I895 HydrophobicContact CB-CB 4.24Å; F890-I895 HydrophobicContact CD1-CB 3.96Å; F890-I895 HydrophobicContact CD1-CD1 3.91Å; F890-I895 HydrophobicContact CD1-CG1 4.49Å; F890-I895 HydrophobicContact CD1-CG2 3.86Å; F890-I895 HydrophobicContact CE1-CD1 4.43Å; F890-I895 PolarHBondContact O-N 3.34Å; F890-F900 HydrophobicContact CD1-CD2 4.25Å; F890-F900 AromaticContact CE1-CD2 3.7Å; F890-F900 HydrophobicContact CE1-CD2 3.7Å; F890-F900 HydrophobicContact CE1-CE2 4.12Å; F890-F900 HydrophobicContact CZ-CD2 4.37Å; F890-F900 HydrophobicContact CZ-CE2 4.34Å; F890-L903 HydrophobicContact CD1-CD1 4.46Å; F890-L903 HydrophobicContact CE1-CD1 3.67Å; F890-L908 HydrophobicContact CE1-CD2 4.19Å; F890-L908 HydrophobicContact CZ-CD2 3.77Å; F890-L911 HydrophobicContact CD1-CD1 4.29Å; F890-L911 HydrophobicContact CE1-CD1 3.71Å; F890-L911 HydrophobicContact CZ-CD1 4.03Å; F890-I913 HydrophobicContact CE2-CD1 3.46Å; F890-I913 VanDerWaalsContact CE2-CD1 3.46Å; F890-I913 HydrophobicContact CZ-CD1 3.49Å; F890-I913 VanDerWaalsContact CZ-CD1 3.49Å; F890-M922 HydrophobicContact CE2-CE 3.76Å; F890-M922 HydrophobicContact CZ-CE 4.03Å; F890-M922 HydrophobicContact CZ-SD 4.26Å
891Q84.3Confident86.3Confident135 Ų13564.1 Ų64.163%0.63134%0.337SS*.Hα-helixtrans-69.2-36.3178-170.4170-0.600112.5T887 D888 Q893 E894T887-Q891 WeakPolarHBondContact O-CB 3.39Å; T887-Q891 PolarHBondContact O-N 2.97Å; D888-Q891 PolarHBondContact O-N 3.36Å; Q891-Q893 PolarHBondContact O-N 3.05Å; Q891-E894 PolarHBondContact O-N 3.26Å
892Q84.6Confident86.3Confident159 Ų15967.7 Ų67.774%0.74336%0.36SS*.THydrogen-bonded Turntrans-67.6-18.9173.1-77.5168.613.800113.9D888D888-Q892 VanDerWaalsContact O-CB 3.28Å; D888-Q892 WeakPolarHBondContact O-CB 3.38Å; D888-Q892 WeakPolarHBondContact O-CG 3.41Å; D888-Q892 PolarHBondContact O-N 3.37Å
893Q84.4Confident86.6Confident102 Ų10265.9 Ų65.948%0.47734%0.336SS..THydrogen-bonded Turntrans-109.216.8176.6-61.6-169.248.600112.3V889 F890 Q891 I895V889-Q893 PolarHBondContact O-N 3.49Å; F890-Q893 CarbonylContact O-C 3.28Å; F890-Q893 PolarHBondContact O-N 3.08Å; Q891-Q893 PolarHBondContact O-N 3.05Å; Q893-I895 HydrophobicContact CB-CD1 4.07Å; Q893-I895 HydrophobicContact CB-CG1 3.97Å; Q893-I895 WeakPolarHBondContact O-CG1 3.4Å; Q893-I895 PolarHBondContact O-N 3.08Å
894E86.8Confident86.7Confident180 Ų18068.8 Ų68.884%0.84135%0.354SS*.THydrogen-bonded Turntrans54.224.2177.4-54-167.2148.300114.9F890 Q891 D896F890-E894 PolarHBondContact O-N 3.5Å; Q891-E894 PolarHBondContact O-N 3.26Å; E894-D896 PolarHBondContact O-N 3.46Å; E894-D896 VanDerWaalsContact O-N 3.08Å
895I86.4Confident87Confident21 Ų2169.9 Ų69.911%0.10835%0.353CS..  trans-77.1103.3-175.7-53.7179.8000109.7L874 F890 Q893 T899 F900 L903 L911L874-I895 VanDerWaalsContact CD2-O 3.25Å; L874-I895 WeakPolarHBondContact CD2-O 3.46Å; F890-I895 HydrophobicContact CB-CB 4.24Å; F890-I895 HydrophobicContact CD1-CB 3.96Å; F890-I895 HydrophobicContact CD1-CD1 3.91Å; F890-I895 HydrophobicContact CD1-CG1 4.49Å; F890-I895 HydrophobicContact CD1-CG2 3.86Å; F890-I895 HydrophobicContact CE1-CD1 4.43Å; F890-I895 PolarHBondContact O-N 3.34Å; Q893-I895 HydrophobicContact CB-CD1 4.07Å; Q893-I895 HydrophobicContact CB-CG1 3.97Å; Q893-I895 WeakPolarHBondContact O-CG1 3.4Å; Q893-I895 PolarHBondContact O-N 3.08Å; I895-T899 HydrophobicContact CG2-CG2 4Å; I895-F900 HydrophobicContact CG2-CB 4.37Å; I895-L903 HydrophobicContact CG2-CD1 4.35Å; I895-L911 HydrophobicContact CD1-CD1 3.5Å; I895-L911 HydrophobicContact CD1-CD2 3.52Å; I895-L911 HydrophobicContact CD1-CG 4.17Å
896D84.1Confident87.1Confident79 Ų7966.8 Ų66.842%0.42234%0.341SS..  trans-73.8174.2175.696.1-62000112.5E894 Q898 T899 F900E894-D896 PolarHBondContact O-N 3.46Å; E894-D896 VanDerWaalsContact O-N 3.08Å; D896-Q898 VanDerWaalsContact C-N 3.28Å; D896-Q898 VanDerWaalsContact CG-N 3.29Å; D896-Q898 PolarHBondContact O-N 3.33Å; D896-Q898 PolarHBondContact OD1-N 2.81Å; D896-Q898 WeakPolarHBondContact OD2-CB 3.48Å; D896-Q898 PolarHBondContact OD2-N 2.95Å; D896-T899 PolarHBondContact O-N 2.96Å; D896-T899 VanDerWaalsContact OD1-CB 3.24Å; D896-T899 WeakPolarHBondContact OD1-CB 3.42Å; D896-T899 PolarHBondContact OD1-N 3.22Å; D896-T899 PolarHBondContact OD1-OG1 3Å; D896-F900 WeakPolarHBondContact O-CB 3.42Å; D896-F900 PolarHBondContact O-N 3.21Å
897L85.3Confident87.2Confident56 Ų5668 Ų6829%0.29335%0.35SS..Hα-helixtrans-64.3-31.5178.7-178.261.8000112.8S872 L874 L877 F900 L901S872-L897 WeakPolarHBondContact O-CD2 3.2Å; L874-L897 HydrophobicContact CD1-CD1 4.02Å; L877-L897 HydrophobicContact CD2-CD1 4.01Å; L897-F900 HydrophobicContact CD1-CD1 4.31Å; L897-L901 WeakPolarHBondContact O-CG 3.43Å; L897-L901 PolarHBondContact O-N 3.36Å
898Q81.1Confident87.4Confident84 Ų8467.3 Ų67.339%0.39335%0.345SS..Hα-helixtrans-72.2-41.9179-174.953.337.800111.8D896 L901 R933D896-Q898 VanDerWaalsContact C-N 3.28Å; D896-Q898 VanDerWaalsContact CG-N 3.29Å; D896-Q898 PolarHBondContact O-N 3.33Å; D896-Q898 PolarHBondContact OD1-N 2.81Å; D896-Q898 WeakPolarHBondContact OD2-CB 3.48Å; D896-Q898 PolarHBondContact OD2-N 2.95Å; Q898-L901 PolarHBondContact O-N 3.27Å; Q898-R933 VanDerWaalsContact OE1-CZ 3.32Å
899T85.7Confident87.6Confident65 Ų6566.5 Ų66.540%0.39934%0.337SS..Hα-helixtrans-68.4-38.4174.7-53.30000111.1I895 D896 L901 T902I895-T899 HydrophobicContact CG2-CG2 4Å; D896-T899 PolarHBondContact O-N 2.96Å; D896-T899 VanDerWaalsContact OD1-CB 3.24Å; D896-T899 WeakPolarHBondContact OD1-CB 3.42Å; D896-T899 PolarHBondContact OD1-N 3.22Å; D896-T899 PolarHBondContact OD1-OG1 3Å; T899-L901 PolarHBondContact O-N 3.41Å; T899-T902 PolarHBondContact O-N 3.43Å; T899-T902 PolarHBondContact O-OG1 2.99Å
900F90.6Very high87.6Confident0 Ų071 Ų710%036%0.355CS..Hα-helixtrans-55.6-36.3172.2175.4-103000112.5L874 L877 F878 F890 I895 D896 L897 T902 L903 M922 I926L874-F900 HydrophobicContact CD1-CB 3.84Å; L874-F900 HydrophobicContact CD1-CD1 3.65Å; L874-F900 HydrophobicContact CD1-CD2 3.96Å; L874-F900 HydrophobicContact CD1-CE1 4.22Å; L874-F900 HydrophobicContact CD1-CG 3.51Å; L874-F900 HydrophobicContact CD2-CB 4.12Å; L874-F900 HydrophobicContact CD2-CG 4.41Å; L877-F900 HydrophobicContact CD2-CD1 4.27Å; L877-F900 HydrophobicContact CD2-CE1 3.87Å; F878-F900 HydrophobicContact CE1-CD2 4.11Å; F878-F900 HydrophobicContact CE1-CE1 4.38Å; F878-F900 AromaticContact CE1-CE2 3.52Å; F878-F900 HydrophobicContact CE1-CE2 3.52Å; F878-F900 AromaticContact CE1-CZ 3.68Å; F878-F900 HydrophobicContact CE1-CZ 3.68Å; F878-F900 AromaticContact CZ-CD2 3.85Å; F878-F900 HydrophobicContact CZ-CD2 3.85Å; F878-F900 AromaticContact CZ-CE2 3.65Å; F878-F900 HydrophobicContact CZ-CE2 3.65Å; F878-F900 HydrophobicContact CZ-CZ 4.27Å; F890-F900 HydrophobicContact CD1-CD2 4.25Å; F890-F900 AromaticContact CE1-CD2 3.7Å; F890-F900 HydrophobicContact CE1-CD2 3.7Å; F890-F900 HydrophobicContact CE1-CE2 4.12Å; F890-F900 HydrophobicContact CZ-CD2 4.37Å; F890-F900 HydrophobicContact CZ-CE2 4.34Å; I895-F900 HydrophobicContact CG2-CB 4.37Å; D896-F900 WeakPolarHBondContact O-CB 3.42Å; D896-F900 PolarHBondContact O-N 3.21Å; L897-F900 HydrophobicContact CD1-CD1 4.31Å; F900-T902 PolarHBondContact O-N 3.19Å; F900-L903 HydrophobicContact CD2-CD1 4.05Å; F900-L903 PolarHBondContact O-N 3.3Å; F900-M922 HydrophobicContact CE2-CB 4.08Å; F900-M922 HydrophobicContact CE2-CG 4.04Å; F900-M922 HydrophobicContact CZ-CB 3.98Å; F900-M922 HydrophobicContact CZ-CG 4.09Å; F900-I926 HydrophobicContact CD1-CG1 4.01Å; F900-I926 HydrophobicContact CD2-CD1 4.45Å; F900-I926 HydrophobicContact CE1-CD1 4.1Å; F900-I926 HydrophobicContact CE1-CG1 3.48Å; F900-I926 VanDerWaalsContact CE1-CG1 3.48Å; F900-I926 HydrophobicContact CE2-CD1 3.98Å; F900-I926 HydrophobicContact CE2-CG1 4.28Å; F900-I926 HydrophobicContact CZ-CD1 3.78Å; F900-I926 HydrophobicContact CZ-CG1 3.63Å; F900-I926 WeakPolarHBondContact O-CD1 3.49Å; F900-I926 WeakPolarHBondContact O-CG1 3.23Å
901L88.4Confident87.4Confident14 Ų1471.7 Ų71.77%0.07336%0.359CS..THydrogen-bonded Turntrans-71.6-8178.4-70.4175.9000114.8L897 Q898 T899 I926 L929 N930L897-L901 WeakPolarHBondContact O-CG 3.43Å; L897-L901 PolarHBondContact O-N 3.36Å; Q898-L901 PolarHBondContact O-N 3.27Å; T899-L901 PolarHBondContact O-N 3.41Å; L901-I926 WeakPolarHBondContact O-CG2 3.43Å; L901-L929 HydrophobicContact CD2-CB 3.48Å; L901-L929 VanDerWaalsContact CD2-CB 3.48Å; L901-L929 HydrophobicContact CD2-CD1 3.78Å; L901-L929 HydrophobicContact CD2-CG 4.26Å; L901-N930 PolarHBondContact O-ND2 3.29Å
902T86.6Confident87.4Confident99 Ų9967.7 Ų67.761%0.60735%0.354SS*.THydrogen-bonded Turntrans-101.9-7.4174.9430000114.3T899 F900T899-T902 PolarHBondContact O-N 3.43Å; T899-T902 PolarHBondContact O-OG1 2.99Å; F900-T902 PolarHBondContact O-N 3.19Å
903L89.9Confident87.7Confident22 Ų2260.1 Ų60.112%0.11532%0.319CS..  trans-72.5141.1-173.5-59.9176.8000114.3F890 I895 F900 D907 L908 L911 I926F890-L903 HydrophobicContact CD1-CD1 4.46Å; F890-L903 HydrophobicContact CE1-CD1 3.67Å; I895-L903 HydrophobicContact CG2-CD1 4.35Å; F900-L903 HydrophobicContact CD2-CD1 4.05Å; F900-L903 PolarHBondContact O-N 3.3Å; L903-D907 WeakPolarHBondContact CA-OD2 3.49Å; L903-D907 HydrophobicContact CD2-CB 3.93Å; L903-L908 HydrophobicContact CB-CD2 4.38Å; L903-L908 HydrophobicContact CB-CG 4.38Å; L903-L908 HydrophobicContact CD1-CD2 3.96Å; L903-L911 HydrophobicContact CD1-CD1 3.79Å; L903-I926 HydrophobicContact CB-CD1 4.32Å
904T90.6Very high87.7Confident67 Ų6760.5 Ų60.541%0.41133%0.328SS..  trans-99.3174.5177.478.50000112.2Q906 D907 L908T904-Q906 PolarHBondContact O-N 3.32Å; T904-Q906 PolarHBondContact OG1-N 3.08Å; T904-Q906 VanDerWaalsContact OG1-N 3.16Å; T904-D907 WeakPolarHBondContact CB-OD2 3.43Å; T904-D907 PolarHBondContact N-OD2 3.07Å; T904-D907 PolarHBondContact OG1-N 2.85Å; T904-D907 PolarHBondContact OG1-OD1 2.98Å; T904-D907 PolarHBondContact OG1-OD2 3.39Å; T904-D907 VanDerWaalsContact OG1-OD2 3.06Å; T904-L908 WeakPolarHBondContact O-CD1 3.47Å; T904-L908 VanDerWaalsContact O-CG 3.23Å; T904-L908 WeakPolarHBondContact O-CG 3.42Å; T904-L908 PolarHBondContact O-N 3.49Å
905D91.9Very high87.9Confident52 Ų5255 Ų5528%0.27831%0.307SS..THydrogen-bonded Turntrans-65.1-21.6173.1-174.865.4000112.9K909 R919 L923D905-K909 WeakPolarHBondContact O-CD 3.48Å; D905-K909 WeakPolarHBondContact O-CE 3.47Å; D905-K909 WeakPolarHBondContact O-CG 3.45Å; D905-K909 PolarHBondContact O-NZ 2.69Å; D905-K909 WeakPolarHBondContact OD2-CE 3.43Å; D905-K909 IonicContact OD2-NZ 3.7Å; D905-K909 PolarHBondContact OD2-NZ 2.85Å; D905-R919 VanDerWaalsContact CG-NH1 3.27Å; D905-R919 IonicContact OD1-CZ 3.08Å; D905-R919 IonicContact OD1-NH1 2.69Å; D905-R919 PolarHBondContact OD1-NH1 3Å; D905-R919 IonicContact OD2-NH1 3.75Å; D905-R919 PolarHBondContact OD2-NH1 3.42Å; D905-R919 VanDerWaalsContact OD2-NH1 3.1Å; D905-L923 HydrophobicContact CB-CD1 3.73Å
906Q89Confident87.9Confident89 Ų8959.8 Ų59.842%0.41633%0.327SS..THydrogen-bonded Turntrans-78.1-53.6179.7-174.156.625.100110.8T904 L908 K909 E910T904-Q906 PolarHBondContact O-N 3.32Å; T904-Q906 PolarHBondContact OG1-N 3.08Å; T904-Q906 VanDerWaalsContact OG1-N 3.16Å; Q906-L908 PolarHBondContact O-N 3.09Å; Q906-K909 WeakPolarHBondContact O-CA 3.33Å; Q906-K909 VanDerWaalsContact O-CB 3.31Å; Q906-K909 WeakPolarHBondContact O-CB 3.42Å; Q906-K909 PolarHBondContact O-N 3.47Å; Q906-E910 WeakPolarHBondContact CG-OE1 3.2Å; Q906-E910 PolarHBondContact NE2-OE1 3.34Å; Q906-E910 PolarHBondContact O-N 3.19Å
907D91.9Very high88Confident52 Ų5258.5 Ų58.528%0.27833%0.332SS..Hα-helixtrans-54.2-44.4177.9-31.5-27.9000110.1L903 T904 K909 E910 L911L903-D907 WeakPolarHBondContact CA-OD2 3.49Å; L903-D907 HydrophobicContact CD2-CB 3.93Å; T904-D907 WeakPolarHBondContact CB-OD2 3.43Å; T904-D907 PolarHBondContact N-OD2 3.07Å; T904-D907 PolarHBondContact OG1-N 2.85Å; T904-D907 PolarHBondContact OG1-OD1 2.98Å; T904-D907 PolarHBondContact OG1-OD2 3.39Å; T904-D907 VanDerWaalsContact OG1-OD2 3.06Å; D907-K909 PolarHBondContact O-N 2.91Å; D907-K909 VanDerWaalsContact O-N 3.12Å; D907-E910 PolarHBondContact O-N 2.84Å; D907-L911 VanDerWaalsContact O-CG 3.31Å; D907-L911 WeakPolarHBondContact O-CG 3.39Å; D907-L911 PolarHBondContact O-N 3.47Å
908L91.8Very high88.2Confident0 Ų056 Ų560%032%0.32CS..Hα-helixtrans-61.8-21.5177.1-64.5168.4000114F890 L903 T904 Q906 L911 I913 R919 M922 L923F890-L908 HydrophobicContact CE1-CD2 4.19Å; F890-L908 HydrophobicContact CZ-CD2 3.77Å; L903-L908 HydrophobicContact CB-CD2 4.38Å; L903-L908 HydrophobicContact CB-CG 4.38Å; L903-L908 HydrophobicContact CD1-CD2 3.96Å; T904-L908 WeakPolarHBondContact O-CD1 3.47Å; T904-L908 VanDerWaalsContact O-CG 3.23Å; T904-L908 WeakPolarHBondContact O-CG 3.42Å; T904-L908 PolarHBondContact O-N 3.49Å; Q906-L908 PolarHBondContact O-N 3.09Å; L908-L911 HydrophobicContact CD2-CD1 4.36Å; L908-I913 HydrophobicContact CB-CD1 4.38Å; L908-I913 HydrophobicContact CD2-CD1 3.88Å; L908-I913 WeakPolarHBondContact O-CA 3.41Å; L908-I913 WeakPolarHBondContact O-CB 3.48Å; L908-I913 VanDerWaalsContact O-CG1 3.28Å; L908-I913 WeakPolarHBondContact O-CG1 3.42Å; L908-I913 PolarHBondContact O-N 2.72Å; L908-I913 VanDerWaalsContact O-N 3.1Å; L908-R919 HydrophobicContact CB-CG 3.78Å; L908-R919 HydrophobicContact CD1-CB 4.4Å; L908-R919 HydrophobicContact CD1-CG 4.41Å; L908-M922 HydrophobicContact CD1-CB 4.1Å; L908-M922 HydrophobicContact CD2-SD 4.23Å; L908-L923 HydrophobicContact CD1-CD1 4.34Å; L908-L923 HydrophobicContact CD1-CD2 3.74Å; L908-L923 HydrophobicContact CD1-CG 3.73Å
909K87.9Confident88.7Confident75 Ų7553.3 Ų53.333%0.32631%0.306SS..Hα-helixtrans-77.6-39.8170.6-63157.3-161.3144.90111.3D905 Q906 D907 L911 G912D905-K909 WeakPolarHBondContact O-CD 3.48Å; D905-K909 WeakPolarHBondContact O-CE 3.47Å; D905-K909 WeakPolarHBondContact O-CG 3.45Å; D905-K909 PolarHBondContact O-NZ 2.69Å; D905-K909 WeakPolarHBondContact OD2-CE 3.43Å; D905-K909 IonicContact OD2-NZ 3.7Å; D905-K909 PolarHBondContact OD2-NZ 2.85Å; Q906-K909 WeakPolarHBondContact O-CA 3.33Å; Q906-K909 VanDerWaalsContact O-CB 3.31Å; Q906-K909 WeakPolarHBondContact O-CB 3.42Å; Q906-K909 PolarHBondContact O-N 3.47Å; D907-K909 PolarHBondContact O-N 2.91Å; D907-K909 VanDerWaalsContact O-N 3.12Å; K909-L911 VanDerWaalsContact C-N 3.31Å; K909-G912 WeakPolarHBondContact O-CA 3.17Å; K909-G912 PolarHBondContact O-N 2.82Å
910E88.8Confident89Confident138 Ų13855 Ų5565%0.64531%0.305SS*.Hα-helixtrans-70.2-31.6-179.3-69167.9-155.400110.8Q906 D907 G912Q906-E910 WeakPolarHBondContact CG-OE1 3.2Å; Q906-E910 PolarHBondContact NE2-OE1 3.34Å; Q906-E910 PolarHBondContact O-N 3.19Å; D907-E910 PolarHBondContact O-N 2.84Å; E910-G912 PolarHBondContact O-N 2.66Å
911L86.4Confident88.9Confident16 Ų1659.4 Ų59.48%0.08433%0.325CS..THydrogen-bonded Turntrans-67.713.6161.9-58-179.2000114.2V889 F890 I895 L903 D907 L908 K909 I913V889-L911 WeakPolarHBondContact CG1-O 3.32Å; F890-L911 HydrophobicContact CD1-CD1 4.29Å; F890-L911 HydrophobicContact CE1-CD1 3.71Å; F890-L911 HydrophobicContact CZ-CD1 4.03Å; I895-L911 HydrophobicContact CD1-CD1 3.5Å; I895-L911 HydrophobicContact CD1-CD2 3.52Å; I895-L911 HydrophobicContact CD1-CG 4.17Å; L903-L911 HydrophobicContact CD1-CD1 3.79Å; D907-L911 VanDerWaalsContact O-CG 3.31Å; D907-L911 WeakPolarHBondContact O-CG 3.39Å; D907-L911 PolarHBondContact O-N 3.47Å; L908-L911 HydrophobicContact CD2-CD1 4.36Å; K909-L911 VanDerWaalsContact C-N 3.31Å; L911-I913 VanDerWaalsContact C-N 3.32Å; L911-I913 HydrophobicContact CB-CD1 4.48Å; L911-I913 HydrophobicContact CB-CG1 4.35Å; L911-I913 PolarHBondContact O-N 3.37Å
912G84.3Confident89.1Confident51 Ų5158.8 Ų58.853%0.52632%0.321SS..THydrogen-bonded Turntrans75.15.8175.200000116.2K909 E910 T914K909-G912 WeakPolarHBondContact O-CA 3.17Å; K909-G912 PolarHBondContact O-N 2.82Å; E910-G912 PolarHBondContact O-N 2.66Å; G912-T914 PolarHBondContact O-N 3.11Å
913I89.8Confident89.4Confident1 Ų156.5 Ų56.51%0.00531%0.305CS..  trans-83.960.7-175.2-39175.2000110.5Y886 F890 L908 L911 T915 A918 R919 M922Y886-I913 HydrophobicContact CD1-CG1 4.32Å; Y886-I913 HydrophobicContact CD1-CG2 4.09Å; Y886-I913 HydrophobicContact CE1-CG2 3.78Å; F890-I913 HydrophobicContact CE2-CD1 3.46Å; F890-I913 VanDerWaalsContact CE2-CD1 3.46Å; F890-I913 HydrophobicContact CZ-CD1 3.49Å; F890-I913 VanDerWaalsContact CZ-CD1 3.49Å; L908-I913 HydrophobicContact CB-CD1 4.38Å; L908-I913 HydrophobicContact CD2-CD1 3.88Å; L908-I913 WeakPolarHBondContact O-CA 3.41Å; L908-I913 WeakPolarHBondContact O-CB 3.48Å; L908-I913 VanDerWaalsContact O-CG1 3.28Å; L908-I913 WeakPolarHBondContact O-CG1 3.42Å; L908-I913 PolarHBondContact O-N 2.72Å; L908-I913 VanDerWaalsContact O-N 3.1Å; L911-I913 VanDerWaalsContact C-N 3.32Å; L911-I913 HydrophobicContact CB-CD1 4.48Å; L911-I913 HydrophobicContact CB-CG1 4.35Å; L911-I913 PolarHBondContact O-N 3.37Å; I913-T915 PolarHBondContact O-N 2.83Å; I913-T915 VanDerWaalsContact O-N 3.12Å; I913-A918 HydrophobicContact CG2-CB 3.7Å; I913-R919 HydrophobicContact CB-CG 4.03Å; I913-R919 HydrophobicContact CG2-CG 3.97Å; I913-R919 WeakPolarHBondContact O-CD 3.41Å; I913-R919 VanDerWaalsContact O-CG 3.29Å; I913-R919 WeakPolarHBondContact O-CG 3.45Å; I913-R919 PolarHBondContact O-NE 3.26Å; I913-M922 HydrophobicContact CD1-CE 4.04Å; I913-M922 HydrophobicContact CD1-SD 3.68Å
914T84.8Confident89.3Confident110 Ų11060.7 Ų60.768%0.67533%0.327SS*.  trans-50.9-40.6-178.157.10000112.6G912 F916 R919G912-T914 PolarHBondContact O-N 3.11Å; T914-F916 PolarHBondContact O-N 3.47Å; T914-F916 VanDerWaalsContact O-N 3.08Å; T914-R919 PolarHBondContact O-NH2 3.18Å
915T90.5Very high89.2Confident64 Ų6457.5 Ų57.539%0.39331%0.307SS..  trans-62.1103.6-178.952.20000113.4Y886 I913 G917 A918 R919Y886-T915 PolarHBondContact OH-OG1 2.83Å; I913-T915 PolarHBondContact O-N 2.83Å; I913-T915 VanDerWaalsContact O-N 3.12Å; T915-G917 VanDerWaalsContact C-N 3.26Å; T915-G917 PolarHBondContact O-N 2.99Å; T915-G917 VanDerWaalsContact O-N 3.13Å; T915-A918 WeakPolarHBondContact O-CB 3.28Å; T915-A918 PolarHBondContact O-N 3.47Å; T915-R919 PolarHBondContact O-N 3.36Å
916F86.3Confident89.1Confident122 Ų12255.6 Ų55.654%0.53530%0.297SS..Hα-helixtrans-48.8-39.8179.2179.7-111.4000114.5T914 A918 R919 R920T914-F916 PolarHBondContact O-N 3.47Å; T914-F916 VanDerWaalsContact O-N 3.08Å; F916-A918 VanDerWaalsContact C-N 3.26Å; F916-A918 PolarHBondContact O-N 2.67Å; F916-R919 PolarHBondContact O-N 2.77Å; F916-R920 WeakPolarHBondContact O-CB 3.47Å; F916-R920 PolarHBondContact O-N 3.14Å
917G86.9Confident89.1Confident51 Ų5153.8 Ų53.853%0.52630%0.295SS..Hα-helixtrans-65.7-22.1178.900000115.1T915 K921T915-G917 VanDerWaalsContact C-N 3.26Å; T915-G917 PolarHBondContact O-N 2.99Å; T915-G917 VanDerWaalsContact O-N 3.13Å; G917-K921 WeakPolarHBondContact O-CG 3.43Å
918A88.6Confident88.8Confident5 Ų553.9 Ų53.94%0.04129%0.293CS..Hα-helixtrans-82.3-50172.300000110.9L883 Y886 I913 T915 F916 R920 K921 M922L883-A918 HydrophobicContact CD2-CB 3.94Å; Y886-A918 HydrophobicContact CD2-CB 4.4Å; Y886-A918 HydrophobicContact CE2-CB 3.6Å; I913-A918 HydrophobicContact CG2-CB 3.7Å; T915-A918 WeakPolarHBondContact O-CB 3.28Å; T915-A918 PolarHBondContact O-N 3.47Å; F916-A918 VanDerWaalsContact C-N 3.26Å; F916-A918 PolarHBondContact O-N 2.67Å; A918-R920 VanDerWaalsContact C-N 3.34Å; A918-R920 PolarHBondContact O-N 2.82Å; A918-K921 WeakPolarHBondContact O-CB 3.45Å; A918-K921 PolarHBondContact O-N 3.23Å; A918-M922 PolarHBondContact O-N 3.43Å
919R93Very high88.3Confident26 Ų2655 Ų5510%0.09830%0.299CS..Hα-helixtrans-53.5-48.2175.9-70.6-169.4-85.9122.1-7.4112.3D905 L908 I913 T914 T915 F916 K921 M922 L923D905-R919 VanDerWaalsContact CG-NH1 3.27Å; D905-R919 IonicContact OD1-CZ 3.08Å; D905-R919 IonicContact OD1-NH1 2.69Å; D905-R919 PolarHBondContact OD1-NH1 3Å; D905-R919 IonicContact OD2-NH1 3.75Å; D905-R919 PolarHBondContact OD2-NH1 3.42Å; D905-R919 VanDerWaalsContact OD2-NH1 3.1Å; L908-R919 HydrophobicContact CB-CG 3.78Å; L908-R919 HydrophobicContact CD1-CB 4.4Å; L908-R919 HydrophobicContact CD1-CG 4.41Å; I913-R919 HydrophobicContact CB-CG 4.03Å; I913-R919 HydrophobicContact CG2-CG 3.97Å; I913-R919 WeakPolarHBondContact O-CD 3.41Å; I913-R919 VanDerWaalsContact O-CG 3.29Å; I913-R919 WeakPolarHBondContact O-CG 3.45Å; I913-R919 PolarHBondContact O-NE 3.26Å; T914-R919 PolarHBondContact O-NH2 3.18Å; T915-R919 PolarHBondContact O-N 3.36Å; F916-R919 PolarHBondContact O-N 2.77Å; R919-K921 VanDerWaalsContact C-N 3.27Å; R919-K921 PolarHBondContact O-N 3.18Å; R919-M922 PolarHBondContact O-N 3.37Å; R919-M922 VanDerWaalsContact O-N 3.11Å; R919-L923 WeakPolarHBondContact O-CG 3.33Å; R919-L923 PolarHBondContact O-N 3.48Å
920R90.3Very high88Confident100 Ų10053.6 Ų53.638%0.37730%0.295SS..Hα-helixtrans-59.4-33.8178-172.7171.5179.5159.71.3113.2F916 A918 L924F916-R920 WeakPolarHBondContact O-CB 3.47Å; F916-R920 PolarHBondContact O-N 3.14Å; A918-R920 VanDerWaalsContact C-N 3.34Å; A918-R920 PolarHBondContact O-N 2.82Å; R920-L924 HydrophobicContact CG-CD1 4.37Å; R920-L924 WeakPolarHBondContact O-CD1 3.34Å; R920-L924 VanDerWaalsContact O-CG 3.23Å; R920-L924 WeakPolarHBondContact O-CG 3.42Å; R920-L924 PolarHBondContact O-N 3.45Å
921K90.1Very high87.6Confident94 Ų9452.5 Ų52.541%0.40929%0.288SS..Hα-helixtrans-71.5-43174-79.6177.4165-1650112.1L881 L883 G917 A918 R919 L924 A925L881-K921 PolarHBondContact O-NZ 3.23Å; L883-K921 HydrophobicContact CD1-CB 3.89Å; L883-K921 HydrophobicContact CD1-CD 4.31Å; L883-K921 HydrophobicContact CD2-CD 3.99Å; L883-K921 HydrophobicContact CG-CD 4.26Å; G917-K921 WeakPolarHBondContact O-CG 3.43Å; A918-K921 WeakPolarHBondContact O-CB 3.45Å; A918-K921 PolarHBondContact O-N 3.23Å; R919-K921 VanDerWaalsContact C-N 3.27Å; R919-K921 PolarHBondContact O-N 3.18Å; K921-L924 PolarHBondContact O-N 3.47Å; K921-A925 PolarHBondContact O-N 3.17Å; K921-A925 VanDerWaalsContact O-N 3.12Å
922M92Very high86.4Confident0 Ų054.4 Ų54.40%030%0.299CS..Hα-helixtrans-61.6-49.3177.6-76.5152.1167.300111.4F878 L883 Y886 F890 F900 L908 I913 A918 R919 L924 A925 I926F878-M922 HydrophobicContact CD1-CE 4.15Å; F878-M922 HydrophobicContact CE1-CE 3.77Å; F878-M922 HydrophobicContact CE1-CG 4.15Å; F878-M922 HydrophobicContact CE2-CE 4.41Å; F878-M922 HydrophobicContact CZ-CE 3.9Å; L883-M922 HydrophobicContact CB-CE 4.33Å; L883-M922 HydrophobicContact CD1-CE 3.87Å; L883-M922 HydrophobicContact CD1-CG 3.73Å; L883-M922 HydrophobicContact CD1-SD 4.26Å; Y886-M922 HydrophobicContact CD2-CE 4.17Å; Y886-M922 HydrophobicContact CG-CE 4.21Å; F890-M922 HydrophobicContact CE2-CE 3.76Å; F890-M922 HydrophobicContact CZ-CE 4.03Å; F890-M922 HydrophobicContact CZ-SD 4.26Å; F900-M922 HydrophobicContact CE2-CB 4.08Å; F900-M922 HydrophobicContact CE2-CG 4.04Å; F900-M922 HydrophobicContact CZ-CB 3.98Å; F900-M922 HydrophobicContact CZ-CG 4.09Å; L908-M922 HydrophobicContact CD1-CB 4.1Å; L908-M922 HydrophobicContact CD2-SD 4.23Å; I913-M922 HydrophobicContact CD1-CE 4.04Å; I913-M922 HydrophobicContact CD1-SD 3.68Å; A918-M922 PolarHBondContact O-N 3.43Å; R919-M922 PolarHBondContact O-N 3.37Å; R919-M922 VanDerWaalsContact O-N 3.11Å; M922-L924 VanDerWaalsContact C-N 3.31Å; M922-L924 PolarHBondContact O-N 3Å; M922-A925 PolarHBondContact O-N 3.33Å; M922-A925 VanDerWaalsContact O-N 3.11Å; M922-I926 VanDerWaalsContact O-CG1 3.32Å; M922-I926 WeakPolarHBondContact O-CG1 3.42Å; M922-I926 PolarHBondContact O-N 2.87Å
923L91.8Very high85.4Confident51 Ų5159.1 Ų59.127%0.26730%0.3SS..Hα-helixtrans-61.2-35.9178.7-65.9166000113.2D905 L908 R919 S927D905-L923 HydrophobicContact CB-CD1 3.73Å; L908-L923 HydrophobicContact CD1-CD1 4.34Å; L908-L923 HydrophobicContact CD1-CD2 3.74Å; L908-L923 HydrophobicContact CD1-CG 3.73Å; R919-L923 WeakPolarHBondContact O-CG 3.33Å; R919-L923 PolarHBondContact O-N 3.48Å; L923-S927 WeakPolarHBondContact O-CB 3.46Å; L923-S927 PolarHBondContact O-N 3.05Å
924L89.3Confident83.8Confident110 Ų11067.9 Ų67.958%0.57633%0.334SS*.Hα-helixtrans-66.8-42.6173.9-75.1169.9000111.9R920 K921 M922 S927 E928R920-L924 HydrophobicContact CG-CD1 4.37Å; R920-L924 WeakPolarHBondContact O-CD1 3.34Å; R920-L924 VanDerWaalsContact O-CG 3.23Å; R920-L924 WeakPolarHBondContact O-CG 3.42Å; R920-L924 PolarHBondContact O-N 3.45Å; K921-L924 PolarHBondContact O-N 3.47Å; M922-L924 VanDerWaalsContact C-N 3.31Å; M922-L924 PolarHBondContact O-N 3Å; L924-S927 PolarHBondContact O-N 3.16Å; L924-E928 PolarHBondContact O-N 3Å
925A88.4Confident82Confident0 Ų070.6 Ų70.60%034%0.336CS..Hα-helixtrans-64.7-41.4175.700000112.2L881 K921 M922 S927 E928 L929L881-A925 HydrophobicContact CD1-CB 3.77Å; L881-A925 HydrophobicContact CD2-CB 4.42Å; K921-A925 PolarHBondContact O-N 3.17Å; K921-A925 VanDerWaalsContact O-N 3.12Å; M922-A925 PolarHBondContact O-N 3.33Å; M922-A925 VanDerWaalsContact O-N 3.11Å; A925-S927 PolarHBondContact O-N 3.28Å; A925-E928 PolarHBondContact O-N 3.42Å; A925-L929 WeakPolarHBondContact O-CB 3.43Å; A925-L929 VanDerWaalsContact O-CG 3.31Å; A925-L929 WeakPolarHBondContact O-CG 3.39Å; A925-L929 PolarHBondContact O-N 3.27Å
926I90.1Very high79.5Confident12 Ų1274.6 Ų74.66%0.06235%0.354CS..Hα-helixtrans-58.3-47.2173.2-67.4164.1000110.4F900 L901 L903 M922 E928 L929 N930F900-I926 HydrophobicContact CD1-CG1 4.01Å; F900-I926 HydrophobicContact CD2-CD1 4.45Å; F900-I926 HydrophobicContact CE1-CD1 4.1Å; F900-I926 HydrophobicContact CE1-CG1 3.48Å; F900-I926 VanDerWaalsContact CE1-CG1 3.48Å; F900-I926 HydrophobicContact CE2-CD1 3.98Å; F900-I926 HydrophobicContact CE2-CG1 4.28Å; F900-I926 HydrophobicContact CZ-CD1 3.78Å; F900-I926 HydrophobicContact CZ-CG1 3.63Å; F900-I926 WeakPolarHBondContact O-CD1 3.49Å; F900-I926 WeakPolarHBondContact O-CG1 3.23Å; L901-I926 WeakPolarHBondContact O-CG2 3.43Å; L903-I926 HydrophobicContact CB-CD1 4.32Å; M922-I926 VanDerWaalsContact O-CG1 3.32Å; M922-I926 WeakPolarHBondContact O-CG1 3.42Å; M922-I926 PolarHBondContact O-N 2.87Å; I926-E928 VanDerWaalsContact C-N 3.34Å; I926-E928 PolarHBondContact O-N 2.86Å; I926-L929 PolarHBondContact O-N 3.38Å; I926-N930 VanDerWaalsContact O-CB 3.31Å; I926-N930 WeakPolarHBondContact O-CB 3.36Å; I926-N930 PolarHBondContact O-N 2.93Å; I926-N930 PolarHBondContact O-ND2 2.9Å
927S88Confident76.9Confident52 Ų5278.3 Ų78.336%0.36437%0.37SS..Hα-helixtrans-62.4-36.9177.5-170.40000113.3L923 L924 A925 K931L923-S927 WeakPolarHBondContact O-CB 3.46Å; L923-S927 PolarHBondContact O-N 3.05Å; L924-S927 PolarHBondContact O-N 3.16Å; A925-S927 PolarHBondContact O-N 3.28Å; S927-K931 VanDerWaalsContact O-CD 3.3Å; S927-K931 WeakPolarHBondContact O-CD 3.03Å; S927-K931 VanDerWaalsContact O-CG 3.27Å; S927-K931 WeakPolarHBondContact O-CG 3.41Å; S927-K931 PolarHBondContact O-N 3.33Å; S927-K931 PolarHBondContact OG-NZ 2.89Å
928E84.9Confident74.2Confident53 Ų5383.9 Ų83.925%0.24838%0.383CS..Hα-helixtrans-71.4-46178.1-174160.6-143.800111.9C863 L865 L924 A925 I926 K931 N932C863-E928 PolarHBondContact SG-OE2 3.02Å; L865-E928 HydrophobicContact CD1-CG 4.41Å; L924-E928 PolarHBondContact O-N 3Å; A925-E928 PolarHBondContact O-N 3.42Å; I926-E928 VanDerWaalsContact C-N 3.34Å; I926-E928 PolarHBondContact O-N 2.86Å; E928-K931 WeakPolarHBondContact O-CB 3.01Å; E928-K931 PolarHBondContact O-N 3.06Å; E928-N932 PolarHBondContact O-N 3.26Å
929L82.1Confident71.4Confident23 Ų2389 Ų8912%0.1242%0.416CS..Hα-helixtrans-65.6-40.4178-68.4169.6000112.2L865 L869 L877 L901 A925 I926 K931 N932 R933L865-L929 HydrophobicContact CD1-CD1 4.31Å; L865-L929 HydrophobicContact CD1-CD2 3.81Å; L865-L929 HydrophobicContact CD1-CG 3.86Å; L869-L929 HydrophobicContact CD1-CD2 3.58Å; L877-L929 HydrophobicContact CD2-CD1 3.86Å; L901-L929 HydrophobicContact CD2-CB 3.48Å; L901-L929 VanDerWaalsContact CD2-CB 3.48Å; L901-L929 HydrophobicContact CD2-CD1 3.78Å; L901-L929 HydrophobicContact CD2-CG 4.26Å; A925-L929 WeakPolarHBondContact O-CB 3.43Å; A925-L929 VanDerWaalsContact O-CG 3.31Å; A925-L929 WeakPolarHBondContact O-CG 3.39Å; A925-L929 PolarHBondContact O-N 3.27Å; I926-L929 PolarHBondContact O-N 3.38Å; L929-K931 PolarHBondContact O-N 3.4Å; L929-N932 PolarHBondContact O-N 2.89Å; L929-R933 PolarHBondContact O-N 3.45Å; L929-R933 VanDerWaalsContact O-N 3.12Å
930N82Confident68.5Low46 Ų4693.5 Ų93.525%0.24645%0.448CS..Hα-helixtrans-73.4-6.1175.5-74.6-25000114.4L901 I926 R934L901-N930 PolarHBondContact O-ND2 3.29Å; I926-N930 VanDerWaalsContact O-CB 3.31Å; I926-N930 WeakPolarHBondContact O-CB 3.36Å; I926-N930 PolarHBondContact O-N 2.93Å; I926-N930 PolarHBondContact O-ND2 2.9Å; N930-R934 PolarHBondContact O-NE 3.07Å; N930-R934 PolarHBondContact O-NH2 2.75Å; N930-R934 VanDerWaalsContact O-NH2 3.09Å
931K79.4Confident65.7Low116 Ų11696.8 Ų96.850%0.50447%0.472SS..Hα-helixtrans-82.5-33.8163.9-74.1159.9-172.7161.10111.4S927 E928 L929S927-K931 VanDerWaalsContact O-CD 3.3Å; S927-K931 WeakPolarHBondContact O-CD 3.03Å; S927-K931 VanDerWaalsContact O-CG 3.27Å; S927-K931 WeakPolarHBondContact O-CG 3.41Å; S927-K931 PolarHBondContact O-N 3.33Å; S927-K931 PolarHBondContact OG-NZ 2.89Å; E928-K931 WeakPolarHBondContact O-CB 3.01Å; E928-K931 PolarHBondContact O-N 3.06Å; L929-K931 PolarHBondContact O-N 3.4Å
932N62.7Low62.9Low56 Ų56103.2 Ų103.230%0.29949%0.493SS..Hα-helixtrans-78.3-36.7-179.3-77.2-13.1000113.5N866 E928 L929 R934 K935N866-N932 PolarHBondContact OD1-ND2 2.8Å; E928-N932 PolarHBondContact O-N 3.26Å; L929-N932 PolarHBondContact O-N 2.89Å; N932-R934 PolarHBondContact O-N 3.31Å; N932-R934 VanDerWaalsContact O-N 3.16Å; N932-K935 PolarHBondContact O-N 2.95Å
933R62.8Low59.8Low149 Ų149109 Ų10956%0.56253%0.534SS*.G310 helixtrans-54.6-33.3172.8-97.6-170.5173.2-80.35.3112.9Q898 L929 K935 L936Q898-R933 VanDerWaalsContact OE1-CZ 3.32Å; L929-R933 PolarHBondContact O-N 3.45Å; L929-R933 VanDerWaalsContact O-N 3.12Å; R933-K935 VanDerWaalsContact C-N 3.3Å; R933-K935 PolarHBondContact O-N 3.41Å; R933-L936 PolarHBondContact O-N 2.66Å
934R56.7Low56.8Low186 Ų186111.7 Ų111.770%0.70256%0.557SS**G310 helixtrans-74.6-10.6178.8-78.9179.2-77.7173.3-8.4115N930 N932N930-R934 PolarHBondContact O-NE 3.07Å; N930-R934 PolarHBondContact O-NH2 2.75Å; N930-R934 VanDerWaalsContact O-NH2 3.09Å; N932-R934 PolarHBondContact O-N 3.31Å; N932-R934 VanDerWaalsContact O-N 3.16Å
935K46.4Very low54Low166 Ų166115.9 Ų115.972%0.72257%0.571SS**G310 helixtrans-90.35.7174-68.4-173.6172.6-176.30113.9N932 R933N932-K935 PolarHBondContact O-N 2.95Å; R933-K935 VanDerWaalsContact C-N 3.3Å; R933-K935 PolarHBondContact O-N 3.41Å
936L37.1Very low51.2Low148 Ų148122.5 Ų122.578%0.77561%0.605SS**SBendtrans-103.3-2.4-176.3-13978.3000114.3R933R933-L936 PolarHBondContact O-N 2.66Å
937F32.2Very low48.3Very low200 Ų200130.4 Ų130.488%0.87764%0.642SS**  trans-113.847.9-179.4-86-81.7000112
938E29.9Very low45.5Very low169 Ų169131.7 Ų131.779%0.7966%0.663SS**SBendtrans-125.8121.6166.7-169.3173.4-177.800107.6
939P29.8Very low42.8Very low113 Ų113133.3 Ų133.373%0.73469%0.694SS**  trans-75.9133.4-168.928.7-34.1000111.9I941P939-I941 PolarHBondContact O-N 3.07Å
940P33.2Very low40.4Very low120 Ų120137.2 Ų137.278%0.77973%0.73SS**  trans-77.5115.6-176.530.2-34.4000112R942P940-R942 PolarHBondContact O-N 3.48Å
941I30.1Very low38Very low169 Ų169141.2 Ų141.287%0.86776%0.762SS**  trans-67.5114.8170.9-58.4175.5000109P939P939-I941 PolarHBondContact O-N 3.07Å
942R31.4Very low35.7Very low228 Ų228139 Ų13986%0.8677%0.771SS**  trans-88.3138.8167.1-71-179.2174173.1-2109.7P940P940-R942 PolarHBondContact O-N 3.48Å
943S27.7Very low34.2Very low122 Ų122148.5 Ų148.585%0.85380%0.803SS**  trans-104115.4169.243.80000110.5
944S28.6Very low32.8Very low107 Ų107149.3 Ų149.375%0.74882%0.817SS**  trans-153.3104.5171.256.20000110.3
945F29.5Very low31.5Very low198 Ų198145.8 Ų145.887%0.86882%0.821SS**  trans34.6137.5155.5-105.5-122.4000122.4
946L30.2Very low30.7Very low139 Ų139148.5 Ų148.573%0.72883%0.827SS**  trans81.3121.2157-71.1164.1000120.4
947E29.2Very low30.3Very low179 Ų179150 Ų15084%0.83683%0.83SS**  79.4105.9124.1-162.1157.7-156.800121.4
948G28.6Very low30Very low78 Ų78149.8 Ų149.880%0.80483%0.829SS**  trans93.3148.8135.500000118.9
949G28.7Very low29.9Very low87 Ų87149.4 Ų149.490%0.89783%0.827SS**  trans98.1141.216000000116.5
950A31.3Very low29.8Very low106 Ų106148.6 Ų148.688%0.87683%0.83SS**  trans-130.2141.6173.600000110.3
951S33Very low29.6Very low130 Ų130150.7 Ų150.791%0.90983%0.829SS**  trans173.5159.4145.3-168.20000108.9
952G30.6Very low29.7Very low68 Ų68148.5 Ų148.570%0.70182%0.823SS**  trans-133.7165.3-177.200000113.9
953R31.8Very low29.6Very low256 Ų256142.2 Ų142.297%0.96682%0.82SS**  trans-147.7139.8165.1-104.8-174.9176.3-150.4-1.5111.1
954L32.5Very low29.8Very low167 Ų167141.1 Ų141.187%0.87481%0.813SS**  trans-87.4157.5177-68.7164.2000111.6
955S29.7Very low30.1Very low111 Ų111142.9 Ų142.978%0.77682%0.818SS**  trans-161119.8140.1-88.30000115.1
956R28.7Very low30.3Very low223 Ų223139 Ų13984%0.84282%0.816SS**  trans57.3100.9141.3-61.5-174.6179-87.3-1.9120.1
957Q29Very low30.2Very low181 Ų181135.4 Ų135.485%0.84681%0.812SS**  trans-54.1150.1147.3-177.8177.34.200112.3
958F26.4Very low30.3Very low195 Ų195137.8 Ų137.886%0.85581%0.814SS**  trans-139.5145.9167.3-120-86.6000111.3
959H26.9Very low30.5Very low160 Ų160149 Ų14974%0.74183%0.832SS**  trans-101.8158.3-177.6-150.5-91.7000110.1
960A28.6Very low30.6Very low96 Ų96152.2 Ų152.279%0.79383%0.829SS**  trans-141.3119.1175.700000111.5
961E29.5Very low30.6Very low165 Ų165154.6 Ų154.677%0.77183%0.826SS**  trans-134.4145.5168-86.5-148.8111.100111.9
962V31.1Very low30.5Very low122 Ų122155.9 Ų155.974%0.73982%0.822SS**  trans19.1104.6146.8-167.40000119.7
963A29.3Very low30.4Very low97 Ų97161.1 Ų161.180%0.80283%0.829SS**  -168139.9127.300000108.4
964S33.3Very low30.4Very low99 Ų99155.2 Ų155.269%0.69282%0.82SS**  cis104.8106.118.8-67.20000114.8
965V34.9Very low30.2Very low143 Ų143154.4 Ų154.487%0.86782%0.817SS**  trans90127.1146.7178.30000120.8
966S32.5Very low30.3Very low117 Ų117157.5 Ų157.582%0.81882%0.819SS**  trans72.5109.9150.1-176.50000122.1
967G29.2Very low30.4Very low63 Ų63152.5 Ų152.565%0.64982%0.818SS**  127.6119.19100000119.8
968R30.6Very low30.5Very low230 Ų230150.1 Ų150.187%0.86882%0.815SS**  trans60.8140.5158.7-50.6178.4-175-112.83.5117
969W33.7Very low30.9Very low314 Ų314146 Ų146100%1.18981%0.812SS**  cis-111.803-78.966.1000111.3

Retrieved 969 of 969 residues in 587.8 ms (Link to these results)