A0A087X1Q6_HUMAN Loading...

T cell-interacting, activating receptor on myeloid cells 1

AlphaFold DB , UniProt , Accession A0A087X1Q6, Species HUMAN (Homo sapiens, Human), Gene TARM1, Length 279 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
1M55.3Low48.6Very low220 Ų220173.7 Ų173.7100%1.08476%0.757SS**  0-17.40-143.4177.6-153.500115.3
2K51.8Low48.3Very low194 Ų194176.6 Ų176.684%0.84376%0.759SS**THydrogen-bonded Turntrans-87.3-17.2178.8-78.7178.6174.5176.10115.7
3E51.1Low47.7Very low146 Ų146176.2 Ų176.268%0.68276%0.758SS**THydrogen-bonded Turntrans-85.7-30.8-179.8-80.8-64133.500114.2K5 K6E3-K5 PolarHBondContact O-N 3.5Å; E3-K6 PolarHBondContact O-N 3.16Å
4R47.5Very low47.5Very low223 Ų223179.1 Ų179.184%0.84276%0.762SS**Hα-helixtrans-68.5-33.8176.3-94.8-179.4165.1178-5.1113.3K6R4-K6 VanDerWaalsContact C-N 3.3Å; R4-K6 PolarHBondContact O-N 3.34Å
5K50.8Low47Very low158 Ų158179.3 Ų179.369%0.68776%0.764SS**Hα-helixtrans-72.6-17.5177.5-72.9-172.2174.9-176.80114E3E3-K5 PolarHBondContact O-N 3.5Å
6K46.6Very low46.5Very low146 Ų146180.1 Ų180.164%0.63577%0.769SS**Hα-helixtrans-85.1-26.3-179.8-151.6175.1-176.9-178.80112.2E3 R4E3-K6 PolarHBondContact O-N 3.16Å; R4-K6 VanDerWaalsContact C-N 3.3Å; R4-K6 PolarHBondContact O-N 3.34Å
7K45.8Very low46.1Very low170 Ų170179.9 Ų179.974%0.73977%0.772SS**Hα-helixtrans-75.4-42.1177.2-148.4174-178.2-177.50111.9R9 K10 E11K7-R9 PolarHBondContact O-N 3.02Å; K7-K10 PolarHBondContact O-N 3.31Å; K7-E11 PolarHBondContact O-N 3.2Å
8E50.3Low46Very low129 Ų129181.8 Ų181.860%0.60377%0.774SS**Hα-helixtrans-66.7-30.6176.5-72.6179.2145.500113.8K10 R12E8-K10 VanDerWaalsContact C-N 3.35Å; E8-R12 PolarHBondContact O-N 3.44Å
9R46.2Very low45.7Very low211 Ų211181 Ų18180%0.79678%0.78SS**Hα-helixtrans-73.7-25.4176.1-129.6177.8-177.3-172.80.7112.8K7K7-R9 PolarHBondContact O-N 3.02Å
10K44.9Very low45.2Very low170 Ų170175.7 Ų175.774%0.73978%0.78SS**Hα-helixtrans-78.4-31.8176.5-119-179.9178.7-176.90112.1K7 E8K7-K10 PolarHBondContact O-N 3.31Å; E8-K10 VanDerWaalsContact C-N 3.35Å
11E44.4Very low44.8Very low144 Ų144175.3 Ų175.367%0.67379%0.785SS**Hα-helixtrans-80.2-33.2-179.9-154161.7-158.100112.6K7 K13 R14 K15K7-E11 PolarHBondContact O-N 3.2Å; E11-K13 VanDerWaalsContact C-N 3.27Å; E11-K13 PolarHBondContact O-N 2.84Å; E11-R14 PolarHBondContact O-N 2.91Å; E11-K15 PolarHBondContact O-N 3.28Å
12R44.9Very low44.1Very low208 Ų208169.8 Ų169.879%0.78577%0.766SS**Hα-helixtrans-67-21.8171-74.4-175.3178.1-161.2-0114.3E8E8-R12 PolarHBondContact O-N 3.44Å
13K40.3Very low43.4Very low172 Ų172167.3 Ų167.375%0.74877%0.767SS**Hα-helixtrans-79.5-28.7173-110-174.6176.8-171.10113E11E11-K13 VanDerWaalsContact C-N 3.27Å; E11-K13 PolarHBondContact O-N 2.84Å
14R44.5Very low43.1Very low216 Ų216163.6 Ų163.682%0.81577%0.768SS**Hα-helixtrans-80.4-21177-87-175.7169.4-175-3.9114.4E11E11-R14 PolarHBondContact O-N 2.91Å
15K40Very low42.7Very low182 Ų182160.9 Ų160.979%0.79177%0.765SS**SBendtrans-90.4-6.3178.3-152.1171.7-178.3178.30113.9E11E11-K15 PolarHBondContact O-N 3.28Å
16K40.3Very low41.9Very low192 Ų192156.9 Ų156.984%0.83577%0.769SS**SBendtrans-93.81.9177.9-158.4175.8176.4-177.90114.1
17E39.8Very low41.6Very low177 Ų177156.1 Ų156.183%0.82777%0.772SS**SBendtrans-1045172.6-85.6176.815700113.2
18R44.1Very low41.3Very low214 Ų214153.9 Ų153.981%0.80877%0.772SS**SBendtrans-119.262.5-178.6-163.1-176-84-163.1-5.8109.4
19N39.8Very low41.1Very low167 Ų167159.2 Ų159.289%0.89379%0.787SS**  trans178.792.8152.6-92.3-1.6000109.3
20G35.6Very low41Very low75 Ų75151.8 Ų151.877%0.77378%0.776SS**  trans-167.589.5170.900000109.1
21L37.5Very low41.3Very low168 Ų168150.6 Ų150.688%0.8878%0.778SS**  trans-50.8154.5153.7-97.373.9000108.6
22C40.5Very low42.2Very low103 Ų103147.5 Ų147.570%0.69679%0.785SS**  cis-168.5-173.615-117.80000107.3
23V35.7Very low43.7Very low142 Ų142140.7 Ų140.786%0.86177%0.769SS**  trans107.2115.1162-170.60000113.2Q25V23-Q25 PolarHBondContact O-N 3.16Å
24G45Very low46Very low69 Ų69133 Ų13371%0.71174%0.736SS**  trans-67.1127.5-169.900000112.4
25Q39.7Very low48.2Very low165 Ų165125.5 Ų125.577%0.77172%0.715SS**  trans-118.888.2147.2-147.692.324.600105V23 D27V23-Q25 PolarHBondContact O-N 3.16Å; Q25-D27 HydrophobicContact CG-CB 4.09Å; Q25-D27 PolarHBondContact O-N 2.91Å
26G34.8Very low50.8Low74 Ų74121.1 Ų121.176%0.76370%0.696SS**  trans-6873.5155.900000106.5T28G26-T28 PolarHBondContact O-N 3.29Å
27D39Very low53.4Low131 Ų131112.1 Ų112.170%0.70166%0.658SS**  trans-7671.8173.2-14215.4000105.6Q25 R29Q25-D27 HydrophobicContact CG-CB 4.09Å; Q25-D27 PolarHBondContact O-N 2.91Å; D27-R29 PolarHBondContact O-N 3.47Å
28T39.6Very low56.1Low123 Ų123106.5 Ų106.576%0.75564%0.638SS**  trans-62.695.9161.9-37.30000103.6G26 G30G26-T28 PolarHBondContact O-N 3.29Å; T28-G30 PolarHBondContact O-N 3.47Å
29R45.8Very low58.5Low241 Ų24197.6 Ų97.691%0.90961%0.606SS**  trans-56.477.4150.7-110.5179.7171.9171.3-2.2105.7D27 D31D27-R29 PolarHBondContact O-N 3.47Å; R29-D31 PolarHBondContact O-N 2.92Å
30G44.5Very low61.2Low55 Ų5592.4 Ų92.457%0.56758%0.583SS**  trans-64.211416900000104.4T28 G32T28-G30 PolarHBondContact O-N 3.47Å; G30-G32 PolarHBondContact O-N 3.23Å
31D51.8Low64.1Low144 Ų14489.5 Ų89.577%0.7755%0.551SS**  trans-32127.3155.2-175.422.8000108.7R29 S33R29-D31 PolarHBondContact O-N 2.92Å; D31-S33 PolarHBondContact O-N 2.96Å
32G62.6Low66.9Low80 Ų8090.3 Ų90.383%0.82554%0.543SS*.SBendtrans-66.223-167.900000115G30G30-G32 PolarHBondContact O-N 3.23Å
33S77.4Confident69.5Low64 Ų6488.9 Ų88.945%0.44853%0.532SS..PPolyproline II helixtrans-90.8131.4-177.3-1720000110.8D31D31-S33 PolarHBondContact O-N 2.96Å
34L88Confident72.3Confident10 Ų1083.2 Ų83.25%0.05250%0.499CS..PPolyproline II helixtrans-68.6139.4178.1-64.5177.2000110.5Y107 R109 I115L34-Y107 HydrophobicContact CB-CE2 4.27Å; L34-Y107 HydrophobicContact CD1-CE2 4.12Å; L34-R109 HydrophobicContact CD1-CG 4.47Å; L34-R109 HydrophobicContact CD2-CG 4.17Å; L34-I115 HydrophobicContact CD1-CG2 3.9Å; L34-I115 HydrophobicContact CG-CG2 4.2Å
35P90.8Very high74.8Confident60 Ų6080.6 Ų80.639%0.3947%0.47SS..PPolyproline II helixtrans-61.5142.2-179.221.4-30.1000111.6P60 Y107P35-P60 HydrophobicContact CB-CG 4.47Å; P35-P60 HydrophobicContact CG-CG 4.1Å; P35-Y107 WeakPolarHBondContact CD-OH 3.39Å; P35-Y107 VanDerWaalsContact CG-OH 3.22Å; P35-Y107 WeakPolarHBondContact CG-OH 3.45Å; P35-Y107 WeakPolarHBondContact O-CE1 3.08Å; P35-Y107 VanDerWaalsContact O-CZ 3.3Å; P35-Y107 PolarHBondContact O-OH 3.4Å
36K94.5Very high77.5Confident90 Ų9073.6 Ų73.639%0.39144%0.438SS..PPolyproline II helixtrans-61.9129.4177.5-173.3-176.9178.4-167.90110.5H119 D121K36-H119 WeakPolarHBondContact CE-O 3.48Å; K36-H119 WeakPolarHBondContact CG-O 3.31Å; K36-D121 IonicContact NZ-OD1 2.61Å; K36-D121 PolarHBondContact NZ-OD1 3Å; K36-D121 IonicContact NZ-OD2 2.97Å; K36-D121 PolarHBondContact NZ-OD2 3.39Å
37P94.8Very high80.4Confident3 Ų370.3 Ų70.32%0.01940%0.404CS..PPolyproline II helixtrans-76.2162.2176.531.2-32.5000112W58 C105 Y107 Q118 S120P37-W58 WeakPolarHBondContact CA-O 3.34Å; P37-C105 WeakPolarHBondContact CG-O 3.33Å; P37-Y107 HydrophobicContact CB-CD1 3.81Å; P37-Y107 HydrophobicContact CB-CE1 3.93Å; P37-Y107 HydrophobicContact CG-CD1 3.9Å; P37-Y107 HydrophobicContact CG-CE1 4.1Å; P37-Q118 WeakPolarHBondContact CD-O 3.35Å; P37-S120 WeakPolarHBondContact O-CA 3.44Å; P37-S120 VanDerWaalsContact O-CB 3.28Å; P37-S120 WeakPolarHBondContact O-CB 3.32Å
38S95.8Very high83.1Confident59 Ų5967.6 Ų67.641%0.41339%0.393SS..EExtended strand (participates in β ladder)trans-107.8144.5172.7610000110.6C57 W58S38-C57 CarbonylContact O-C 3.55Å; S38-C57 VanDerWaalsContact O-CA 3.27Å; S38-C57 WeakPolarHBondContact O-CA 3.46Å; S38-W58 PolarHBondContact N-O 3.07Å; S38-W58 PolarHBondContact O-N 3.32Å; S38-W58 PolarHBondContact OG-O 3.41Å
39L96.1Very high85.8Confident27 Ų2763.4 Ų63.414%0.14137%0.371CS..EExtended strand (participates in β ladder)trans-126.9131.9179.1-178.262.6000109.5L55 C57 L68 C105 L123L39-L55 HydrophobicContact CD1-CB 4.26Å; L39-C57 HydrophobicContact CD1-CB 4.16Å; L39-L68 HydrophobicContact CD1-CD1 4.1Å; L39-L68 HydrophobicContact CD2-CD1 4.2Å; L39-C105 HydrophobicContact CB-CB 4.38Å; L39-C105 HydrophobicContact CD1-CB 4.14Å; L39-C105 HydrophobicContact CD2-CB 4.33Å; L39-L123 HydrophobicContact CD2-CB 3.84Å; L39-L123 HydrophobicContact CG-CB 4.12Å; L39-L123 HydrophobicContact CG-CD1 4.18Å
40S96Very high88.2Confident58 Ų5857.1 Ų57.141%0.40636%0.355SS..EExtended strand (participates in β ladder)trans-136.5158.9-179.162.70000110.9L55 R56S40-L55 CarbonylContact O-C 3.56Å; S40-L55 WeakPolarHBondContact O-CA 3.28Å; S40-R56 PolarHBondContact N-O 3.33Å; S40-R56 PolarHBondContact O-N 3.48Å; S40-R56 PolarHBondContact OG-O 3.05Å
41A96.6Very high90.6Very high13 Ų1355.9 Ų55.911%0.10734%0.338CS..EExtended strand (participates in β ladder)trans-118.3138.5175.800000110.2V53 T54 L55 L123A41-V53 HydrophobicContact CB-CG2 4.11Å; A41-T54 WeakPolarHBondContact CA-O 3.29Å; A41-L55 HydrophobicContact CB-CD2 3.65Å; A41-L123 HydrophobicContact CB-CD1 3.78Å; A41-L123 HydrophobicContact CB-CD2 4.13Å
42W95.2Very high92.7Very high185 Ų18553.4 Ų53.470%0.70133%0.325SS*.EExtended strand (participates in β ladder)trans-131.1133.8176.2-175.489.3000110.4V53 T54W42-V53 VanDerWaalsContact O-CG2 3.31Å; W42-V53 WeakPolarHBondContact O-CG2 3.34Å; W42-T54 PolarHBondContact N-O 3.22Å; W42-T54 PolarHBondContact O-N 3.05Å
43P94.9Very high94.2Very high73 Ų7349.6 Ų49.647%0.47429%0.286SS..SBendcis-78-17.62.831.7-36.2000114.2P174P43-P174 WeakPolarHBondContact O-CB 3.27Å
44S95.7Very high95.1Very high24 Ų2447.5 Ų47.517%0.16827%0.27CS..  trans-155.4156.7-176.9174.10000111.8V46 V47 V53 P174S44-V46 VanDerWaalsContact C-N 3.27Å; S44-V46 WeakPolarHBondContact CB-O 3.28Å; S44-V46 PolarHBondContact OG-N 2.87Å; S44-V46 PolarHBondContact OG-O 3.43Å; S44-V47 WeakPolarHBondContact O-CG1 3.31Å; S44-V53 WeakPolarHBondContact O-CG2 3.41Å; S44-P174 CarbonylContact C-O 3.56Å; S44-P174 WeakPolarHBondContact CA-O 3.47Å; S44-P174 PolarHBondContact OG-O 2.96Å
45S96.5Very high95.4Very high14 Ų1447 Ų4710%0.09827%0.268CS..SBendtrans-80.5-6.4168.369.30000113.6L125 L126 P174S45-L125 WeakPolarHBondContact O-CA 3.36Å; S45-L126 PolarHBondContact O-N 3.3Å; S45-P174 PolarHBondContact N-O 2.85Å
46V96.8Very high95.5Very high17 Ų1748.9 Ų48.910%0.10327%0.267CS..EExtended strand (participates in β ladder)trans-118.7114.1174.3179.60000108.3S44 L126 T128 L169 P176 M205S44-V46 VanDerWaalsContact C-N 3.27Å; S44-V46 WeakPolarHBondContact CB-O 3.28Å; S44-V46 PolarHBondContact OG-N 2.87Å; S44-V46 PolarHBondContact OG-O 3.43Å; V46-L126 HydrophobicContact CG2-CB 4.41Å; V46-L126 HydrophobicContact CG2-CD1 4.27Å; V46-T128 HydrophobicContact CG1-CG2 3.62Å; V46-L169 HydrophobicContact CG1-CD1 4.48Å; V46-L169 HydrophobicContact CG2-CD2 4.37Å; V46-P176 HydrophobicContact CG2-CG 4.11Å; V46-M205 HydrophobicContact CB-SD 4.3Å; V46-M205 HydrophobicContact CG1-CE 3.9Å; V46-M205 HydrophobicContact CG1-SD 3.34Å; V46-M205 WeakPolarHBondContact CG1-SD 3.36Å; V46-M205 HydrophobicContact CG2-SD 3.98Å
47V96.4Very high95.5Very high6 Ų644.6 Ų44.64%0.03625%0.248CC..EExtended strand (participates in β ladder)trans-140.8148-171.7-69.60000111.7S44 V53 L95 L125 L126 V127 T128S44-V47 WeakPolarHBondContact O-CG1 3.31Å; V47-V53 HydrophobicContact CG1-CB 4.41Å; V47-V53 HydrophobicContact CG1-CG2 4.41Å; V47-L95 HydrophobicContact CB-CD1 4.3Å; V47-L95 HydrophobicContact CG2-CD1 3.37Å; V47-L125 HydrophobicContact CG2-CD1 4.01Å; V47-L126 PolarHBondContact N-O 2.82Å; V47-V127 CarbonylContact O-C 3.57Å; V47-V127 VanDerWaalsContact O-CA 3.25Å; V47-V127 WeakPolarHBondContact O-CA 3.16Å; V47-T128 PolarHBondContact O-N 2.75Å; V47-T128 PolarHBondContact O-OG1 2.91Å
48P96.2Very high95.4Very high73 Ų7350 Ų5047%0.47427%0.268SS..EExtended strand (participates in β ladder)trans-74.5158.1178.129.3-32.6000112.6S51 T128P48-S51 WeakPolarHBondContact O-CB 3.36Å; P48-S51 PolarHBondContact O-N 3.47Å; P48-S51 PolarHBondContact O-OG 2.92Å; P48-T128 VanDerWaalsContact CA-OG1 3.31Å; P48-T128 WeakPolarHBondContact CA-OG1 3.48Å
49A95.4Very high95.2Very high36 Ų3647.2 Ų47.230%0.29825%0.249SC..THydrogen-bonded Turntrans-58151.8169.300000111.7S51 V127 T128A49-S51 PolarHBondContact O-N 3.37Å; A49-V127 HydrophobicContact CB-CG1 4.1Å; A49-T128 PolarHBondContact N-O 2.9Å
50N95.4Very high94.8Very high108 Ų10849.4 Ų49.458%0.57826%0.264SS*.THydrogen-bonded Turntrans63.412.7-175.8-44.8-55.5000114.9L95 K96N50-L95 PolarHBondContact N-O 3.24Å; N50-K96 PolarHBondContact OD1-NZ 2.93Å
51S95.4Very high94.3Very high30 Ų3047.4 Ų47.421%0.2125%0.252CS..  trans-97.2-176.217174.50000112P48 A49 N94 L95P48-S51 WeakPolarHBondContact O-CB 3.36Å; P48-S51 PolarHBondContact O-N 3.47Å; P48-S51 PolarHBondContact O-OG 2.92Å; A49-S51 PolarHBondContact O-N 3.37Å; S51-N94 PolarHBondContact O-N 3.23Å; S51-L95 WeakPolarHBondContact O-CB 3.43Å; S51-L95 WeakPolarHBondContact O-CG 3.47Å; S51-L95 PolarHBondContact O-N 3.4Å
52N95.8Very high93.8Very high91 Ų9153.3 Ų53.349%0.48727%0.271SS..  trans-124.4145.1-179.6-54.8-23.1000110L92 N93 N94N52-L92 VanDerWaalsContact CA-O 3.29Å; N52-L92 WeakPolarHBondContact CA-O 3.27Å; N52-N93 VanDerWaalsContact CG-OD1 3.29Å; N52-N93 WeakPolarHBondContact OD1-CA 3.46Å; N52-N94 PolarHBondContact OD1-N 2.78Å
53V95.4Very high93.3Very high1 Ų146.9 Ų46.91%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-136.6143.4172.570.90000109.2A41 W42 S44 V47 L55 L92 L95 L125A41-V53 HydrophobicContact CB-CG2 4.11Å; W42-V53 VanDerWaalsContact O-CG2 3.31Å; W42-V53 WeakPolarHBondContact O-CG2 3.34Å; S44-V53 WeakPolarHBondContact O-CG2 3.41Å; V47-V53 HydrophobicContact CG1-CB 4.41Å; V47-V53 HydrophobicContact CG1-CG2 4.41Å; V53-L55 HydrophobicContact CG2-CD2 4.47Å; V53-L92 HydrophobicContact CG1-CB 3.92Å; V53-L92 HydrophobicContact CG1-CD1 4.05Å; V53-L92 HydrophobicContact CG1-CG 4.43Å; V53-L92 PolarHBondContact N-O 3.46Å; V53-L92 PolarHBondContact O-N 3.26Å; V53-L95 HydrophobicContact CB-CD1 4.21Å; V53-L95 HydrophobicContact CG1-CD1 3.87Å; V53-L95 HydrophobicContact CG1-CD2 4.35Å; V53-L125 HydrophobicContact CG1-CD1 3.99Å; V53-L125 HydrophobicContact CG1-CD2 4.01Å; V53-L125 HydrophobicContact CG2-CD1 4.28Å
54T94.7Very high92.9Very high20 Ų2043.8 Ų43.812%0.12324%0.242CC..EExtended strand (participates in β ladder)trans-105.9121.4172.1-58.40000108.8A41 W42 E89 F90 H91A41-T54 WeakPolarHBondContact CA-O 3.29Å; W42-T54 PolarHBondContact N-O 3.22Å; W42-T54 PolarHBondContact O-N 3.05Å; T54-E89 HydrophobicContact CG2-CB 3.86Å; T54-E89 HydrophobicContact CG2-CG 4.26Å; T54-F90 WeakPolarHBondContact CA-O 2.94Å; T54-H91 WeakPolarHBondContact CG2-ND1 3.43Å; T54-H91 PolarHBondContact OG1-ND1 3.39Å
55L95.1Very high92.5Very high0 Ų044 Ų440%024%0.244CC..EExtended strand (participates in β ladder)trans-92.8118.6170.4-58.5-176.5000108.3L39 S40 A41 V53 L68 F90 L92 Y103 L123L39-L55 HydrophobicContact CD1-CB 4.26Å; S40-L55 CarbonylContact O-C 3.56Å; S40-L55 WeakPolarHBondContact O-CA 3.28Å; A41-L55 HydrophobicContact CB-CD2 3.65Å; V53-L55 HydrophobicContact CG2-CD2 4.47Å; L55-L68 HydrophobicContact CD1-CD1 4.31Å; L55-L68 HydrophobicContact CD1-CD2 3.96Å; L55-F90 HydrophobicContact CB-CB 4.33Å; L55-F90 PolarHBondContact N-O 3.4Å; L55-F90 WeakPolarHBondContact O-CD2 3.47Å; L55-F90 PolarHBondContact O-N 2.96Å; L55-L92 HydrophobicContact CD1-CD1 3.78Å; L55-L92 HydrophobicContact CG-CD1 4.15Å; L55-Y103 HydrophobicContact CD1-CD1 3.51Å; L55-Y103 HydrophobicContact CD1-CD2 4.48Å; L55-Y103 HydrophobicContact CD1-CE1 3.87Å; L55-Y103 HydrophobicContact CD1-CG 3.84Å; L55-L123 HydrophobicContact CD2-CD2 3.99Å
56R93.6Very high92.2Very high99 Ų9944.7 Ų44.737%0.37425%0.245SC..EExtended strand (participates in β ladder)trans-108.6120.2-179-180175.5175.4138.2-7.9109.9S40 A88 E89S40-R56 PolarHBondContact N-O 3.33Å; S40-R56 PolarHBondContact O-N 3.48Å; S40-R56 PolarHBondContact OG-O 3.05Å; R56-A88 WeakPolarHBondContact CA-O 3.31Å; R56-E89 HydrophobicContact CB-CG 4.3Å; R56-E89 HydrophobicContact CG-CG 4.09Å; R56-E89 IonicContact CZ-OE1 2.69Å; R56-E89 IonicContact NE-OE1 3.97Å; R56-E89 IonicContact NH1-OE1 3.29Å; R56-E89 PolarHBondContact NH1-OE1 3.5Å
57C93.1Very high91.9Very high0 Ų045.1 Ų45.10%025%0.248CC..EExtended strand (participates in β ladder)trans-103.8135.1174.3-171.20000110.4S38 L39 F66 A87 A88 F90 C105S38-C57 CarbonylContact O-C 3.55Å; S38-C57 VanDerWaalsContact O-CA 3.27Å; S38-C57 WeakPolarHBondContact O-CA 3.46Å; L39-C57 HydrophobicContact CD1-CB 4.16Å; C57-F66 HydrophobicContact CB-CD1 3.98Å; C57-F66 HydrophobicContact CB-CE1 4.23Å; C57-F66 WeakPolarHBondContact SG-CD1 3.18Å; C57-F66 VanDerWaalsContact SG-CE1 3.57Å; C57-A87 CarbonylContact O-C 3.52Å; C57-A87 VanDerWaalsContact O-CA 3.28Å; C57-A87 WeakPolarHBondContact O-CA 3.4Å; C57-A88 PolarHBondContact N-O 2.73Å; C57-A88 PolarHBondContact O-N 3.22Å; C57-F90 HydrophobicContact CB-CE2 4.17Å; C57-C105 HydrophobicContact CB-CB 3.77Å; C57-C105 WeakPolarHBondContact CB-SG 3.48Å; C57-C105 WeakPolarHBondContact SG-CB 3.33Å; C57-C105 CovalentContact SG-SG 2.02Å; C57-C105 PolarHBondContact SG-SG 2.84Å
58W93.1Very high91.8Very high117 Ų11745 Ų4544%0.44325%0.247SC..EExtended strand (participates in β ladder)trans-137141.6-174.1-179.288.4000112.6P37 S38 P60 G86P37-W58 WeakPolarHBondContact CA-O 3.34Å; S38-W58 PolarHBondContact N-O 3.07Å; S38-W58 PolarHBondContact O-N 3.32Å; S38-W58 PolarHBondContact OG-O 3.41Å; W58-P60 HydrophobicContact CH2-CB 4.21Å; W58-G86 CarbonylContact C-O 3.49Å; W58-G86 WeakPolarHBondContact CA-O 3.46Å
59T90.9Very high91.7Very high0 Ų044 Ų440%023%0.234CC..  trans-144.5147.3173.8-177.50000110.5A61 V64 F66 G86 Y107T59-A61 HydrophobicContact CG2-CB 4.12Å; T59-A61 PolarHBondContact O-N 3.32Å; T59-A61 PolarHBondContact OG1-N 2.99Å; T59-V64 HydrophobicContact CG2-CG2 3.74Å; T59-F66 HydrophobicContact CG2-CE1 3.72Å; T59-F66 HydrophobicContact CG2-CE2 4.45Å; T59-F66 HydrophobicContact CG2-CZ 3.43Å; T59-F66 VanDerWaalsContact CG2-CZ 3.43Å; T59-G86 PolarHBondContact N-O 3.46Å; T59-G86 CarbonylContact O-C 3.55Å; T59-G86 VanDerWaalsContact O-CA 3.28Å; T59-G86 WeakPolarHBondContact O-CA 3.41Å; T59-Y107 HydrophobicContact CG2-CD1 4.12Å; T59-Y107 HydrophobicContact CG2-CD2 4.42Å; T59-Y107 HydrophobicContact CG2-CE1 4.07Å; T59-Y107 HydrophobicContact CG2-CE2 4.36Å; T59-Y107 HydrophobicContact CG2-CG 4.3Å; T59-Y107 WeakPolarHBondContact OG1-CE1 3.31Å; T59-Y107 VanDerWaalsContact OG1-CZ 3.29Å; T59-Y107 PolarHBondContact OG1-OH 3.01Å
60P89.4Confident91.6Very high72 Ų7244.8 Ų44.847%0.46823%0.23SC..SBendtrans-67.1-17.617128.3-36.2000112.9P35 W58P35-P60 HydrophobicContact CB-CG 4.47Å; P35-P60 HydrophobicContact CG-CG 4.1Å; W58-P60 HydrophobicContact CH2-CB 4.21Å
61A85.7Confident91.3Very high17 Ų1741.8 Ų41.814%0.1423%0.225CC..  trans-70141.4-17800000112.6T59 V64 Y107T59-A61 HydrophobicContact CG2-CB 4.12Å; T59-A61 PolarHBondContact O-N 3.32Å; T59-A61 PolarHBondContact OG1-N 2.99Å; A61-V64 HydrophobicContact CB-CG1 3.78Å; A61-Y107 HydrophobicContact CB-CE2 3.91Å
62R84.9Confident90.7Very high136 Ų13643.7 Ų43.751%0.51325%0.249SC..SBendtrans-100.8158.4178.2-57.8-57.2-164.5-149.315.1111.2V64 E85R62-V64 VanDerWaalsContact C-N 3.28Å; R62-V64 PolarHBondContact O-N 3.37Å; R62-E85 IonicContact CZ-OE2 2.78Å; R62-E85 VanDerWaalsContact CZ-OE2 3.29Å; R62-E85 IonicContact NE-OE2 3.78Å; R62-E85 PolarHBondContact NE-OE2 3.3Å; R62-E85 PolarHBondContact NH1-O 3.45Å; R62-E85 IonicContact NH2-OE2 3.25Å; R62-E85 PolarHBondContact NH2-OE2 2.99Å
63G84.9Confident90.4Very high50 Ų5045.1 Ų45.152%0.51526%0.255SS..SBendtrans63.93417700000113.3K110G63-K110 WeakPolarHBondContact O-CB 3.38Å; G63-K110 WeakPolarHBondContact O-CG 3.39Å; G63-K110 PolarHBondContact O-N 3.06Å
64V87Confident90Very high8 Ų849.4 Ų49.45%0.04828%0.277CS..EExtended strand (participates in β ladder)trans-105.9157.8-177.7-61.40000111.5T59 A61 R62 F66 Y107 Y108 R109 K110T59-V64 HydrophobicContact CG2-CG2 3.74Å; A61-V64 HydrophobicContact CB-CG1 3.78Å; R62-V64 VanDerWaalsContact C-N 3.28Å; R62-V64 PolarHBondContact O-N 3.37Å; V64-F66 HydrophobicContact CG2-CD2 4.39Å; V64-F66 HydrophobicContact CG2-CE2 3.8Å; V64-F66 HydrophobicContact CG2-CZ 4.01Å; V64-Y107 HydrophobicContact CB-CD2 3.65Å; V64-Y107 HydrophobicContact CB-CE2 4.38Å; V64-Y107 HydrophobicContact CB-CG 4.31Å; V64-Y107 HydrophobicContact CG1-CD2 3.43Å; V64-Y107 VanDerWaalsContact CG1-CD2 3.43Å; V64-Y107 HydrophobicContact CG1-CE2 3.68Å; V64-Y107 HydrophobicContact CG1-CG 4.48Å; V64-Y107 HydrophobicContact CG2-CD2 4.23Å; V64-Y108 CarbonylContact C-O 3.55Å; V64-Y108 VanDerWaalsContact CA-O 3.22Å; V64-Y108 WeakPolarHBondContact CA-O 3.45Å; V64-Y108 WeakPolarHBondContact CB-O 3.4Å; V64-R109 HydrophobicContact CG1-CG 4.38Å; V64-K110 WeakPolarHBondContact O-CE 3.23Å
65S87.8Confident89.4Confident30 Ų3051 Ų5121%0.2129%0.285CS..EExtended strand (participates in β ladder)trans-119.5134.8168.5-68.70000108.5Y107 Y108 K110S65-Y107 CarbonylContact O-C 3.52Å; S65-Y107 WeakPolarHBondContact O-CA 3.25Å; S65-Y107 VanDerWaalsContact O-CB 3.25Å; S65-Y107 WeakPolarHBondContact O-CB 3.47Å; S65-Y108 VanDerWaalsContact CB-CZ 3.43Å; S65-Y108 PolarHBondContact N-O 3.04Å; S65-Y108 PolarHBondContact O-N 3.35Å; S65-K110 VanDerWaalsContact OG-CE 3.28Å; S65-K110 WeakPolarHBondContact OG-CE 3.03Å; S65-K110 WeakPolarHBondContact OG-CG 3.41Å
66F90Very high87.8Confident27 Ų2760 Ų6012%0.11833%0.327CS..EExtended strand (participates in β ladder)trans-96.5151.8-177.4-67.1-88.9000111.9C57 T59 V64 G86 A88 F90 E106 Y107C57-F66 HydrophobicContact CB-CD1 3.98Å; C57-F66 HydrophobicContact CB-CE1 4.23Å; C57-F66 WeakPolarHBondContact SG-CD1 3.18Å; C57-F66 VanDerWaalsContact SG-CE1 3.57Å; T59-F66 HydrophobicContact CG2-CE1 3.72Å; T59-F66 HydrophobicContact CG2-CE2 4.45Å; T59-F66 HydrophobicContact CG2-CZ 3.43Å; T59-F66 VanDerWaalsContact CG2-CZ 3.43Å; V64-F66 HydrophobicContact CG2-CD2 4.39Å; V64-F66 HydrophobicContact CG2-CE2 3.8Å; V64-F66 HydrophobicContact CG2-CZ 4.01Å; F66-G86 WeakPolarHBondContact CZ-O 3.25Å; F66-A88 HydrophobicContact CB-CB 3.81Å; F66-A88 HydrophobicContact CD2-CB 3.34Å; F66-A88 HydrophobicContact CE2-CB 3.97Å; F66-A88 HydrophobicContact CG-CB 3.72Å; F66-F90 HydrophobicContact CB-CE2 4.42Å; F66-F90 HydrophobicContact CB-CZ 4.01Å; F66-E106 CarbonylContact C-O 3.06Å; F66-E106 WeakPolarHBondContact CA-O 3.43Å; F66-Y107 HydrophobicContact CD1-CG 4.47Å; F66-Y107 HydrophobicContact CE1-CD1 4.31Å; F66-Y107 HydrophobicContact CE1-CG 4.4Å
67V90.6Very high86Confident27 Ų2757.4 Ų57.416%0.16432%0.324CS..EExtended strand (participates in β ladder)trans-130.2123.2174.6-177.90000107.7I74 C105 E106 Y108V67-I74 HydrophobicContact CG1-CG1 4.29Å; V67-I74 HydrophobicContact CG1-CG2 3.74Å; V67-C105 WeakPolarHBondContact O-CA 3.49Å; V67-E106 HydrophobicContact CB-CG 3.84Å; V67-E106 HydrophobicContact CG1-CG 4.46Å; V67-E106 PolarHBondContact N-O 2.81Å; V67-E106 PolarHBondContact O-N 2.64Å; V67-Y108 HydrophobicContact CG2-CD1 4.26Å; V67-Y108 HydrophobicContact CG2-CE1 3.95Å
68L93.6Very high83.9Confident2 Ų263 Ų631%0.0136%0.36CS..EExtended strand (participates in β ladder)trans-97.4133.4173.9-174.973.8000109.5L39 L55 L75 F90 Y103 C105L39-L68 HydrophobicContact CD1-CD1 4.1Å; L39-L68 HydrophobicContact CD2-CD1 4.2Å; L55-L68 HydrophobicContact CD1-CD1 4.31Å; L55-L68 HydrophobicContact CD1-CD2 3.96Å; L68-L75 HydrophobicContact CD2-CD1 4.07Å; L68-L75 PolarHBondContact O-N 2.83Å; L68-F90 HydrophobicContact CB-CD1 3.95Å; L68-F90 HydrophobicContact CB-CD2 4.11Å; L68-F90 HydrophobicContact CB-CE1 3.78Å; L68-F90 HydrophobicContact CB-CE2 3.95Å; L68-F90 HydrophobicContact CB-CG 4.11Å; L68-F90 HydrophobicContact CB-CZ 3.78Å; L68-F90 HydrophobicContact CD1-CD2 4.35Å; L68-F90 HydrophobicContact CD2-CB 3.79Å; L68-F90 HydrophobicContact CD2-CD1 4.11Å; L68-F90 HydrophobicContact CD2-CD2 4.12Å; L68-F90 HydrophobicContact CD2-CG 3.75Å; L68-F90 HydrophobicContact CG-CD2 4.43Å; L68-F90 HydrophobicContact CG-CG 4.43Å; L68-Y103 HydrophobicContact CD1-CD1 4.37Å; L68-Y103 HydrophobicContact CD2-CD1 4.14Å; L68-Y103 HydrophobicContact CD2-CE1 4.49Å; L68-Y103 HydrophobicContact CG-CD1 4.27Å; L68-C105 HydrophobicContact CD1-CB 4.49Å
69R93.8Very high81.8Confident53 Ų5366.3 Ų66.320%0.238%0.378CS..EExtended strand (participates in β ladder)trans-117.7146.3176.1-67.2179.4177.5-91.7-0.8110.5G72 I73 I74 Y103 T104 E106R69-G72 PolarHBondContact NH1-O 3.38Å; R69-I73 CarbonylContact C-O 3.58Å; R69-I73 VanDerWaalsContact CA-O 3.29Å; R69-I73 WeakPolarHBondContact CA-O 3.39Å; R69-I74 HydrophobicContact CG-CG1 4.32Å; R69-Y103 VanDerWaalsContact O-CA 3.24Å; R69-Y103 WeakPolarHBondContact O-CA 3.36Å; R69-T104 PolarHBondContact N-O 3.17Å; R69-T104 PolarHBondContact O-N 3.41Å; R69-E106 IonicContact CZ-OE1 3.24Å; R69-E106 VanDerWaalsContact CZ-OE1 3.24Å; R69-E106 IonicContact NE-OE1 2.75Å; R69-E106 PolarHBondContact NE-OE1 3.43Å; R69-E106 IonicContact NH2-OE1 2.82Å; R69-E106 PolarHBondContact NH2-OE1 2.81Å
70K94.1Very high80Confident53 Ų5370 Ų7023%0.2340%0.402CS..EExtended strand (participates in β ladder)trans-118.3108166.9-171.2-168-173.3-138.50108.2G72 I73 L75 R98 N99 A100 E102 Y103K70-G72 PolarHBondContact O-N 3.32Å; K70-I73 PolarHBondContact N-O 2.89Å; K70-I73 PolarHBondContact O-N 2.96Å; K70-L75 HydrophobicContact CB-CD1 3.98Å; K70-L75 HydrophobicContact CB-CD2 4.32Å; K70-L75 HydrophobicContact CB-CG 4.12Å; K70-R98 PolarHBondContact NZ-O 2.96Å; K70-N99 VanDerWaalsContact CE-O 3.3Å; K70-N99 WeakPolarHBondContact CE-O 3.47Å; K70-A100 WeakPolarHBondContact CE-O 3.44Å; K70-A100 PolarHBondContact NZ-O 3.47Å; K70-E102 CarbonylContact C-O 3.55Å; K70-E102 WeakPolarHBondContact CA-O 3.37Å; K70-Y103 HydrophobicContact CB-CD1 4.1Å; K70-Y103 HydrophobicContact CB-CE1 3.87Å; K70-Y103 HydrophobicContact CD-CE1 4.2Å; K70-Y103 HydrophobicContact CD-CE2 4.2Å; K70-Y103 WeakPolarHBondContact CD-OH 3.33Å; K70-Y103 WeakPolarHBondContact CE-OH 3.44Å; K70-Y103 HydrophobicContact CG-CD1 4.29Å; K70-Y103 HydrophobicContact CG-CD2 4.36Å; K70-Y103 HydrophobicContact CG-CE1 3.89Å; K70-Y103 HydrophobicContact CG-CE2 3.91Å
71G87.9Confident78.1Confident45 Ų4573.2 Ų73.246%0.46441%0.414SS..THydrogen-bonded Turntrans54.6-122-164.200000110.4E102G71-E102 PolarHBondContact N-O 2.83Å
72G83.9Confident76.4Confident69 Ų6978.8 Ų78.871%0.71144%0.442SS*.THydrogen-bonded Turntrans-86.5-8.5176.800000115.5R69 K70R69-G72 PolarHBondContact NH1-O 3.38Å; K70-G72 PolarHBondContact O-N 3.32Å
73I88.4Confident75Confident122 Ų12275.1 Ų75.163%0.62644%0.437SS*.EExtended strand (participates in β ladder)trans-94.4127.9-169.3-57.9173.3000109.8R69 K70 L75R69-I73 CarbonylContact C-O 3.58Å; R69-I73 VanDerWaalsContact CA-O 3.29Å; R69-I73 WeakPolarHBondContact CA-O 3.39Å; K70-I73 PolarHBondContact N-O 2.89Å; K70-I73 PolarHBondContact O-N 2.96Å; I73-L75 PolarHBondContact O-N 3.43Å
74I87.1Confident73.7Confident90 Ų9076.9 Ų76.946%0.46244%0.438SS..EExtended strand (participates in β ladder)trans-72124.1170.1-61.4173.6000107.8V67 R69 E76V67-I74 HydrophobicContact CG1-CG1 4.29Å; V67-I74 HydrophobicContact CG1-CG2 3.74Å; R69-I74 HydrophobicContact CG-CG1 4.32Å; I74-E76 PolarHBondContact O-N 3.33Å
75L82.3Confident72.8Confident54 Ų5483.4 Ų83.428%0.28347%0.468SS..  trans-84.1111.1171.1-65-178.2000108L68 K70 I73 S77 Y103L68-L75 HydrophobicContact CD2-CD1 4.07Å; L68-L75 PolarHBondContact O-N 2.83Å; K70-L75 HydrophobicContact CB-CD1 3.98Å; K70-L75 HydrophobicContact CB-CD2 4.32Å; K70-L75 HydrophobicContact CB-CG 4.12Å; I73-L75 PolarHBondContact O-N 3.43Å; L75-S77 PolarHBondContact O-N 3.45Å; L75-Y103 HydrophobicContact CD1-CD1 4.22Å; L75-Y103 HydrophobicContact CD1-CE1 3.58Å
76E61.1Low72.4Confident189 Ų18982.2 Ų82.288%0.88346%0.461SS*.  trans-62.6102.8169.9-68.7-175.1173.900108.2I74I74-E76 PolarHBondContact O-N 3.33Å
77S56.5Low72.3Confident45 Ų4581 Ų8132%0.31546%0.456SS..  trans-75138.2177.9169.50000109.9L75 K79L75-S77 PolarHBondContact O-N 3.45Å; S77-K79 PolarHBondContact O-N 3.27Å; S77-K79 VanDerWaalsContact O-N 3.07Å
78P48.6Very low72.2Confident118 Ų11880 Ų8077%0.76645%0.45SS*.SBendtrans-65.3108.9156.826.9-27.1000106.5
79K48.7Very low72.1Confident185 Ų18583.1 Ų83.180%0.80446%0.464SS*.  trans16.9118.8172.1-70173.4-179.7176.80115.5S77 L81S77-K79 PolarHBondContact O-N 3.27Å; S77-K79 VanDerWaalsContact O-N 3.07Å; K79-L81 PolarHBondContact O-N 3.13Å
80P54.3Low71.9Confident78 Ų7881.3 Ų81.351%0.50646%0.458SS..  trans-54112.1171.921.4-29.9000109.1D82P80-D82 PolarHBondContact O-N 3.03Å
81L49.3Very low71.8Confident140 Ų14082.9 Ų82.973%0.73347%0.466SS*.SBendtrans-70.7111.4174.5-167.272000105.5K79K79-L81 PolarHBondContact O-N 3.13Å
82D50.6Low72.1Confident134 Ų13482.1 Ų82.172%0.71745%0.451SS*.  trans39.997.2-177.8-68.1-31.4000114.1P80 T84P80-D82 PolarHBondContact O-N 3.03Å; D82-T84 PolarHBondContact O-N 2.94Å
83S54.8Low72.6Confident59 Ų5983.8 Ų83.841%0.41344%0.444SS..  trans-63.978.4160.864.30000108.6E85 A87S83-E85 PolarHBondContact O-N 3.02Å; S83-A87 WeakPolarHBondContact CA-O 3.33Å
84T57.5Low72.9Confident87 Ų8782.3 Ų82.353%0.53444%0.437SS..  trans-48133.5158.649.10000106.4D82 G86 A87D82-T84 PolarHBondContact O-N 2.94Å; T84-G86 PolarHBondContact O-N 3.38Å; T84-A87 PolarHBondContact O-N 2.85Å
85E69.1Low73.3Confident144 Ų14478.1 Ų78.167%0.67342%0.415SS*.THydrogen-bonded Turntrans-48.2113.5-157-50.2-175.515200112.1R62 S83R62-E85 IonicContact CZ-OE2 2.78Å; R62-E85 VanDerWaalsContact CZ-OE2 3.29Å; R62-E85 IonicContact NE-OE2 3.78Å; R62-E85 PolarHBondContact NE-OE2 3.3Å; R62-E85 PolarHBondContact NH1-O 3.45Å; R62-E85 IonicContact NH2-OE2 3.25Å; R62-E85 PolarHBondContact NH2-OE2 2.99Å; S83-E85 PolarHBondContact O-N 3.02Å
86G77.9Confident73.8Confident6 Ų678.5 Ų78.56%0.06242%0.415CS..THydrogen-bonded Turntrans84.710.9177.700000116.9W58 T59 F66 T84W58-G86 CarbonylContact C-O 3.49Å; W58-G86 WeakPolarHBondContact CA-O 3.46Å; T59-G86 PolarHBondContact N-O 3.46Å; T59-G86 CarbonylContact O-C 3.55Å; T59-G86 VanDerWaalsContact O-CA 3.28Å; T59-G86 WeakPolarHBondContact O-CA 3.41Å; F66-G86 WeakPolarHBondContact CZ-O 3.25Å; T84-G86 PolarHBondContact O-N 3.38Å
87A88.1Confident75.2Confident2 Ų271.2 Ų71.22%0.01738%0.383CS..EExtended strand (participates in β ladder)trans-131.3154175.500000113.2C57 S83 T84C57-A87 CarbonylContact O-C 3.52Å; C57-A87 VanDerWaalsContact O-CA 3.28Å; C57-A87 WeakPolarHBondContact O-CA 3.4Å; S83-A87 WeakPolarHBondContact CA-O 3.33Å; T84-A87 PolarHBondContact O-N 2.85Å
88A88.5Confident76.9Confident4 Ų478.3 Ų78.33%0.03340%0.403CS..EExtended strand (participates in β ladder)trans-135.3141.5164.400000110.5R56 C57 F66 F90R56-A88 WeakPolarHBondContact CA-O 3.31Å; C57-A88 PolarHBondContact N-O 2.73Å; C57-A88 PolarHBondContact O-N 3.22Å; F66-A88 HydrophobicContact CB-CB 3.81Å; F66-A88 HydrophobicContact CD2-CB 3.34Å; F66-A88 HydrophobicContact CE2-CB 3.97Å; F66-A88 HydrophobicContact CG-CB 3.72Å; A88-F90 HydrophobicContact CB-CE2 4.03Å; A88-F90 HydrophobicContact CB-CZ 4.21Å
89E91Very high79Confident68 Ų6874.6 Ų74.632%0.31838%0.377SS..EExtended strand (participates in β ladder)trans-113.6130.9178.1-64.4-170.3172.700110.1T54 R56 H91T54-E89 HydrophobicContact CG2-CB 3.86Å; T54-E89 HydrophobicContact CG2-CG 4.26Å; R56-E89 HydrophobicContact CB-CG 4.3Å; R56-E89 HydrophobicContact CG-CG 4.09Å; R56-E89 IonicContact CZ-OE1 2.69Å; R56-E89 IonicContact NE-OE1 3.97Å; R56-E89 IonicContact NH1-OE1 3.29Å; R56-E89 PolarHBondContact NH1-OE1 3.5Å; E89-H91 IonicContact OE2-CE1 3.47Å
90F91.1Very high81.3Confident15 Ų1566 Ų667%0.06634%0.34CS..EExtended strand (participates in β ladder)trans-116.7106.4179.6-58.2-87.8000108.5T54 L55 C57 F66 L68 A88T54-F90 WeakPolarHBondContact CA-O 2.94Å; L55-F90 HydrophobicContact CB-CB 4.33Å; L55-F90 PolarHBondContact N-O 3.4Å; L55-F90 WeakPolarHBondContact O-CD2 3.47Å; L55-F90 PolarHBondContact O-N 2.96Å; C57-F90 HydrophobicContact CB-CE2 4.17Å; F66-F90 HydrophobicContact CB-CE2 4.42Å; F66-F90 HydrophobicContact CB-CZ 4.01Å; L68-F90 HydrophobicContact CB-CD1 3.95Å; L68-F90 HydrophobicContact CB-CD2 4.11Å; L68-F90 HydrophobicContact CB-CE1 3.78Å; L68-F90 HydrophobicContact CB-CE2 3.95Å; L68-F90 HydrophobicContact CB-CG 4.11Å; L68-F90 HydrophobicContact CB-CZ 3.78Å; L68-F90 HydrophobicContact CD1-CD2 4.35Å; L68-F90 HydrophobicContact CD2-CB 3.79Å; L68-F90 HydrophobicContact CD2-CD1 4.11Å; L68-F90 HydrophobicContact CD2-CD2 4.12Å; L68-F90 HydrophobicContact CD2-CG 3.75Å; L68-F90 HydrophobicContact CG-CD2 4.43Å; L68-F90 HydrophobicContact CG-CG 4.43Å; A88-F90 HydrophobicContact CB-CE2 4.03Å; A88-F90 HydrophobicContact CB-CZ 4.21Å
91H92.2Very high83.2Confident87 Ų8762.4 Ų62.440%0.40332%0.317SS..EExtended strand (participates in β ladder)trans-86.9114.8-179.1-53.9-68.7000110.7T54 E89T54-H91 WeakPolarHBondContact CG2-ND1 3.43Å; T54-H91 PolarHBondContact OG1-ND1 3.39Å; E89-H91 IonicContact OE2-CE1 3.47Å
92L93.1Very high85.5Confident29 Ų2960.1 Ų60.115%0.15230%0.303CS..EExtended strand (participates in β ladder)trans-100.8107173.2-58.4176.4000108.4N52 V53 L55 L95 Y103 L125N52-L92 VanDerWaalsContact CA-O 3.29Å; N52-L92 WeakPolarHBondContact CA-O 3.27Å; V53-L92 HydrophobicContact CG1-CB 3.92Å; V53-L92 HydrophobicContact CG1-CD1 4.05Å; V53-L92 HydrophobicContact CG1-CG 4.43Å; V53-L92 PolarHBondContact N-O 3.46Å; V53-L92 PolarHBondContact O-N 3.26Å; L55-L92 HydrophobicContact CD1-CD1 3.78Å; L55-L92 HydrophobicContact CG-CD1 4.15Å; L92-L95 HydrophobicContact CB-CD2 3.77Å; L92-L95 HydrophobicContact CD1-CD2 4.5Å; L92-Y103 HydrophobicContact CD1-CE1 4.06Å; L92-L125 HydrophobicContact CD1-CD2 3.9Å
93N94.1Very high87.7Confident104 Ų10453.8 Ų53.856%0.55627%0.269SS*.  trans-104.1155.1-176.6-60.9-43.6000112.2N52 L95N52-N93 VanDerWaalsContact CG-OD1 3.29Å; N52-N93 WeakPolarHBondContact OD1-CA 3.46Å; N93-L95 VanDerWaalsContact C-N 3.32Å; N93-L95 PolarHBondContact O-N 2.8Å
94N94.8Very high89.7Confident91 Ų9152 Ų5249%0.48726%0.255SS..SBendtrans51.450.7177.2-174.520.6000112.1S51 N52 K96S51-N94 PolarHBondContact O-N 3.23Å; N52-N94 PolarHBondContact OD1-N 2.78Å; N94-K96 PolarHBondContact O-N 2.92Å; N94-K96 PolarHBondContact OD1-NZ 2.8Å
95L95Very high91.4Very high1 Ų147.8 Ų47.81%0.00523%0.23CC..  trans-55.6133.9-173.2-71.9170.6000112.2V47 N50 S51 V53 L92 N93 N99 V127V47-L95 HydrophobicContact CB-CD1 4.3Å; V47-L95 HydrophobicContact CG2-CD1 3.37Å; N50-L95 PolarHBondContact N-O 3.24Å; S51-L95 WeakPolarHBondContact O-CB 3.43Å; S51-L95 WeakPolarHBondContact O-CG 3.47Å; S51-L95 PolarHBondContact O-N 3.4Å; V53-L95 HydrophobicContact CB-CD1 4.21Å; V53-L95 HydrophobicContact CG1-CD1 3.87Å; V53-L95 HydrophobicContact CG1-CD2 4.35Å; L92-L95 HydrophobicContact CB-CD2 3.77Å; L92-L95 HydrophobicContact CD1-CD2 4.5Å; N93-L95 VanDerWaalsContact C-N 3.32Å; N93-L95 PolarHBondContact O-N 2.8Å; L95-N99 HydrophobicContact CD2-CB 3.68Å; L95-V127 HydrophobicContact CB-CG1 4.33Å; L95-V127 HydrophobicContact CB-CG2 4.35Å
96K93.6Very high92.5Very high63 Ų6341.4 Ų41.427%0.27420%0.2SC..  trans-109.7162.8170.3-56.9-50.6-174.5-158.40109.4N50 N94 R98 N99N50-K96 PolarHBondContact OD1-NZ 2.93Å; N94-K96 PolarHBondContact O-N 2.92Å; N94-K96 PolarHBondContact OD1-NZ 2.8Å; K96-R98 HydrophobicContact CB-CG 3.91Å; K96-R98 PolarHBondContact O-N 2.94Å; K96-R98 VanDerWaalsContact O-N 3.09Å; K96-N99 PolarHBondContact N-OD1 3.32Å; K96-N99 VanDerWaalsContact O-CB 3.26Å; K96-N99 WeakPolarHBondContact O-CB 3.41Å; K96-N99 PolarHBondContact O-N 3.33Å; K96-N99 PolarHBondContact O-OD1 3.35Å
97V90.7Very high93.1Very high36 Ų3641.2 Ų41.222%0.21820%0.197CC..G310 helixtrans-53-36178179.90000111.9N99 A100 H130 W214V97-N99 PolarHBondContact O-N 3.17Å; V97-N99 VanDerWaalsContact O-N 3.1Å; V97-A100 VanDerWaalsContact O-CB 3.28Å; V97-A100 WeakPolarHBondContact O-CB 3.29Å; V97-A100 PolarHBondContact O-N 2.95Å; V97-H130 HydrophobicContact CG1-CB 4.29Å; V97-H130 HydrophobicContact CG2-CB 4.28Å; V97-W214 VanDerWaalsContact CG1-CD1 3.46Å
98R91Very high93.2Very high194 Ų19444.4 Ų44.473%0.73221%0.209SC*.G310 helixtrans-62.2-14.1174.864.6169.2179-102.40.8115K70 K96 A100K70-R98 PolarHBondContact NZ-O 2.96Å; K96-R98 HydrophobicContact CB-CG 3.91Å; K96-R98 PolarHBondContact O-N 2.94Å; K96-R98 VanDerWaalsContact O-N 3.09Å; R98-A100 VanDerWaalsContact C-N 3.31Å
99N93.9Very high93.2Very high40 Ų4050.1 Ų50.121%0.21423%0.23CC..G310 helixtrans-80.7-13.5174.6-63.599.9000112K70 L95 K96 V97 Y103 V127K70-N99 VanDerWaalsContact CE-O 3.3Å; K70-N99 WeakPolarHBondContact CE-O 3.47Å; L95-N99 HydrophobicContact CD2-CB 3.68Å; K96-N99 PolarHBondContact N-OD1 3.32Å; K96-N99 VanDerWaalsContact O-CB 3.26Å; K96-N99 WeakPolarHBondContact O-CB 3.41Å; K96-N99 PolarHBondContact O-N 3.33Å; K96-N99 PolarHBondContact O-OD1 3.35Å; V97-N99 PolarHBondContact O-N 3.17Å; V97-N99 VanDerWaalsContact O-N 3.1Å; N99-Y103 WeakPolarHBondContact O-CE2 3.39Å; N99-Y103 PolarHBondContact O-OH 2.78Å; N99-V127 HydrophobicContact CB-CG2 4.25Å
100A95.8Very high92.9Very high4 Ų452.2 Ų52.23%0.03324%0.238CC..  trans-63145.4172.800000111.5K70 V97 R98 L125 V127 F213K70-A100 WeakPolarHBondContact CE-O 3.44Å; K70-A100 PolarHBondContact NZ-O 3.47Å; V97-A100 VanDerWaalsContact O-CB 3.28Å; V97-A100 WeakPolarHBondContact O-CB 3.29Å; V97-A100 PolarHBondContact O-N 2.95Å; R98-A100 VanDerWaalsContact C-N 3.31Å; A100-L125 CarbonylContact C-O 3.46Å; A100-L125 VanDerWaalsContact CA-O 3.24Å; A100-L125 WeakPolarHBondContact CA-O 3.43Å; A100-V127 HydrophobicContact CB-CB 4.32Å; A100-V127 HydrophobicContact CB-CG2 4.25Å; A100-F213 HydrophobicContact CB-CB 4.15Å
101G95.9Very high92.7Very high2 Ų256.4 Ų56.42%0.02128%0.276CS..EExtended strand (participates in β ladder)trans146.4-172.8175.600000114.1Y103 L125G101-Y103 VanDerWaalsContact O-CD2 3.24Å; G101-Y103 WeakPolarHBondContact O-CD2 3.39Å; G101-L125 PolarHBondContact N-O 2.84Å; G101-L125 PolarHBondContact O-N 2.79Å
102E96.5Very high92.5Very high93 Ų9354 Ų5444%0.43527%0.268SS..EExtended strand (participates in β ladder)trans-85.8124.3-176.6-66.8173.7174.200110.5K70 G71 V122 L124 F213K70-E102 CarbonylContact C-O 3.55Å; K70-E102 WeakPolarHBondContact CA-O 3.37Å; G71-E102 PolarHBondContact N-O 2.83Å; E102-V122 HydrophobicContact CB-CG1 3.63Å; E102-V122 HydrophobicContact CG-CG1 3.76Å; E102-L124 HydrophobicContact CG-CD1 4.08Å; E102-F213 HydrophobicContact CG-CE1 4.43Å; E102-F213 HydrophobicContact CG-CZ 4.05Å
103Y96.5Very high92.1Very high1 Ų155.7 Ų55.70%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-113.2139.3177.5-69.9-104.4000110.4L55 L68 R69 K70 L75 L92 N99 G101 L123 L125L55-Y103 HydrophobicContact CD1-CD1 3.51Å; L55-Y103 HydrophobicContact CD1-CD2 4.48Å; L55-Y103 HydrophobicContact CD1-CE1 3.87Å; L55-Y103 HydrophobicContact CD1-CG 3.84Å; L68-Y103 HydrophobicContact CD1-CD1 4.37Å; L68-Y103 HydrophobicContact CD2-CD1 4.14Å; L68-Y103 HydrophobicContact CD2-CE1 4.49Å; L68-Y103 HydrophobicContact CG-CD1 4.27Å; R69-Y103 VanDerWaalsContact O-CA 3.24Å; R69-Y103 WeakPolarHBondContact O-CA 3.36Å; K70-Y103 HydrophobicContact CB-CD1 4.1Å; K70-Y103 HydrophobicContact CB-CE1 3.87Å; K70-Y103 HydrophobicContact CD-CE1 4.2Å; K70-Y103 HydrophobicContact CD-CE2 4.2Å; K70-Y103 WeakPolarHBondContact CD-OH 3.33Å; K70-Y103 WeakPolarHBondContact CE-OH 3.44Å; K70-Y103 HydrophobicContact CG-CD1 4.29Å; K70-Y103 HydrophobicContact CG-CD2 4.36Å; K70-Y103 HydrophobicContact CG-CE1 3.89Å; K70-Y103 HydrophobicContact CG-CE2 3.91Å; L75-Y103 HydrophobicContact CD1-CD1 4.22Å; L75-Y103 HydrophobicContact CD1-CE1 3.58Å; L92-Y103 HydrophobicContact CD1-CE1 4.06Å; N99-Y103 WeakPolarHBondContact O-CE2 3.39Å; N99-Y103 PolarHBondContact O-OH 2.78Å; G101-Y103 VanDerWaalsContact O-CD2 3.24Å; G101-Y103 WeakPolarHBondContact O-CD2 3.39Å; Y103-L123 PolarHBondContact N-O 2.88Å; Y103-L123 PolarHBondContact O-N 3.46Å; Y103-L125 HydrophobicContact CD2-CB 3.81Å; Y103-L125 HydrophobicContact CE2-CB 3.65Å; Y103-L125 HydrophobicContact CE2-CD2 3.82Å; Y103-L125 HydrophobicContact CE2-CG 4.37Å
104T96.8Very high91.8Very high20 Ų2059.3 Ų59.312%0.12329%0.294CS..EExtended strand (participates in β ladder)trans-132.8155.2171.557.20000109.6R69 V122R69-T104 PolarHBondContact N-O 3.17Å; R69-T104 PolarHBondContact O-N 3.41Å; T104-V122 HydrophobicContact CG2-CB 4.49Å; T104-V122 HydrophobicContact CG2-CG2 3.81Å
105C93.9Very high91.4Very high0 Ų059.1 Ų59.10%029%0.292CS..EExtended strand (participates in β ladder)trans-124.2144.4175177.50000110.4P37 L39 C57 V67 L68 H119 S120P37-C105 WeakPolarHBondContact CG-O 3.33Å; L39-C105 HydrophobicContact CB-CB 4.38Å; L39-C105 HydrophobicContact CD1-CB 4.14Å; L39-C105 HydrophobicContact CD2-CB 4.33Å; C57-C105 HydrophobicContact CB-CB 3.77Å; C57-C105 WeakPolarHBondContact CB-SG 3.48Å; C57-C105 WeakPolarHBondContact SG-CB 3.33Å; C57-C105 CovalentContact SG-SG 2.02Å; C57-C105 PolarHBondContact SG-SG 2.84Å; V67-C105 WeakPolarHBondContact O-CA 3.49Å; L68-C105 HydrophobicContact CD1-CB 4.49Å; C105-H119 CarbonylContact O-C 3.59Å; C105-H119 WeakPolarHBondContact O-CA 3.45Å; C105-S120 PolarHBondContact N-OG 3Å; C105-S120 PolarHBondContact O-N 3.06Å
106E92.9Very high91.1Very high10 Ų1063.1 Ų63.15%0.04731%0.313CS..EExtended strand (participates in β ladder)trans-134.9169.616965-171165.100109.5F66 V67 R69 L116 H119F66-E106 CarbonylContact C-O 3.06Å; F66-E106 WeakPolarHBondContact CA-O 3.43Å; V67-E106 HydrophobicContact CB-CG 3.84Å; V67-E106 HydrophobicContact CG1-CG 4.46Å; V67-E106 PolarHBondContact N-O 2.81Å; V67-E106 PolarHBondContact O-N 2.64Å; R69-E106 IonicContact CZ-OE1 3.24Å; R69-E106 VanDerWaalsContact CZ-OE1 3.24Å; R69-E106 IonicContact NE-OE1 2.75Å; R69-E106 PolarHBondContact NE-OE1 3.43Å; R69-E106 IonicContact NH2-OE1 2.82Å; R69-E106 PolarHBondContact NH2-OE1 2.81Å; E106-L116 HydrophobicContact CG-CD2 4.42Å; E106-H119 IonicContact OE1-CE1 3.92Å; E106-H119 IonicContact OE2-CE1 2.94Å; E106-H119 PolarHBondContact OE2-CE1 3.2Å; E106-H119 IonicContact OE2-ND1 3.23Å; E106-H119 PolarHBondContact OE2-ND1 2.86Å; E106-H119 IonicContact OE2-NE2 3.99Å
107Y90.2Very high91.1Very high1 Ų160.5 Ų60.50%0.00430%0.303CS..EExtended strand (participates in β ladder)trans-145.7162.5173.269-87.7000111.5L34 P35 P37 T59 A61 V64 S65 F66 L116 S117L34-Y107 HydrophobicContact CB-CE2 4.27Å; L34-Y107 HydrophobicContact CD1-CE2 4.12Å; P35-Y107 WeakPolarHBondContact CD-OH 3.39Å; P35-Y107 VanDerWaalsContact CG-OH 3.22Å; P35-Y107 WeakPolarHBondContact CG-OH 3.45Å; P35-Y107 WeakPolarHBondContact O-CE1 3.08Å; P35-Y107 VanDerWaalsContact O-CZ 3.3Å; P35-Y107 PolarHBondContact O-OH 3.4Å; P37-Y107 HydrophobicContact CB-CD1 3.81Å; P37-Y107 HydrophobicContact CB-CE1 3.93Å; P37-Y107 HydrophobicContact CG-CD1 3.9Å; P37-Y107 HydrophobicContact CG-CE1 4.1Å; T59-Y107 HydrophobicContact CG2-CD1 4.12Å; T59-Y107 HydrophobicContact CG2-CD2 4.42Å; T59-Y107 HydrophobicContact CG2-CE1 4.07Å; T59-Y107 HydrophobicContact CG2-CE2 4.36Å; T59-Y107 HydrophobicContact CG2-CG 4.3Å; T59-Y107 WeakPolarHBondContact OG1-CE1 3.31Å; T59-Y107 VanDerWaalsContact OG1-CZ 3.29Å; T59-Y107 PolarHBondContact OG1-OH 3.01Å; A61-Y107 HydrophobicContact CB-CE2 3.91Å; V64-Y107 HydrophobicContact CB-CD2 3.65Å; V64-Y107 HydrophobicContact CB-CE2 4.38Å; V64-Y107 HydrophobicContact CB-CG 4.31Å; V64-Y107 HydrophobicContact CG1-CD2 3.43Å; V64-Y107 VanDerWaalsContact CG1-CD2 3.43Å; V64-Y107 HydrophobicContact CG1-CE2 3.68Å; V64-Y107 HydrophobicContact CG1-CG 4.48Å; V64-Y107 HydrophobicContact CG2-CD2 4.23Å; S65-Y107 CarbonylContact O-C 3.52Å; S65-Y107 WeakPolarHBondContact O-CA 3.25Å; S65-Y107 VanDerWaalsContact O-CB 3.25Å; S65-Y107 WeakPolarHBondContact O-CB 3.47Å; F66-Y107 HydrophobicContact CD1-CG 4.47Å; F66-Y107 HydrophobicContact CE1-CD1 4.31Å; F66-Y107 HydrophobicContact CE1-CG 4.4Å; Y107-L116 CarbonylContact O-C 3.59Å; Y107-L116 WeakPolarHBondContact O-CA 2.97Å; Y107-S117 VanDerWaalsContact CD1-OG 3.28Å; Y107-S117 WeakPolarHBondContact CD1-OG 3.34Å; Y107-S117 WeakPolarHBondContact CE1-OG 3.48Å; Y107-S117 PolarHBondContact N-OG 3.24Å; Y107-S117 PolarHBondContact O-N 3.39Å; Y107-S117 PolarHBondContact O-OG 3.37Å
108Y89.4Confident91.3Very high70 Ų7064.4 Ų64.428%0.27532%0.319SS..EExtended strand (participates in β ladder)trans-131.5157.9171.359.2-91.9000110.1V64 S65 V67 P113 I115V64-Y108 CarbonylContact C-O 3.55Å; V64-Y108 VanDerWaalsContact CA-O 3.22Å; V64-Y108 WeakPolarHBondContact CA-O 3.45Å; V64-Y108 WeakPolarHBondContact CB-O 3.4Å; S65-Y108 VanDerWaalsContact CB-CZ 3.43Å; S65-Y108 PolarHBondContact N-O 3.04Å; S65-Y108 PolarHBondContact O-N 3.35Å; V67-Y108 HydrophobicContact CG2-CD1 4.26Å; V67-Y108 HydrophobicContact CG2-CE1 3.95Å; Y108-P113 HydrophobicContact CD2-CB 3.94Å; Y108-P113 HydrophobicContact CE2-CB 4.04Å; Y108-I115 WeakPolarHBondContact CA-O 3.26Å; Y108-I115 VanDerWaalsContact CB-O 3.3Å; Y108-I115 WeakPolarHBondContact CB-O 3.3Å
109R88Confident91.4Very high124 Ų12459.3 Ų59.347%0.46830%0.303SS..EExtended strand (participates in β ladder)trans-77.1132.2174-68.5-175.1178.2-178.13.9109.6L34 V64 A111 S112L34-R109 HydrophobicContact CD1-CG 4.47Å; L34-R109 HydrophobicContact CD2-CG 4.17Å; V64-R109 HydrophobicContact CG1-CG 4.38Å; R109-A111 PolarHBondContact O-N 3.32Å; R109-S112 WeakPolarHBondContact CB-OG 3.5Å; R109-S112 CarbonylContact O-C 3.59Å; R109-S112 PolarHBondContact O-N 3.24Å
110K85.2Confident91.6Very high111 Ų11157.7 Ų57.748%0.48330%0.295SS..THydrogen-bonded Turntrans-57.8-36.2179-69.5176.2-178.61780112.5G63 V64 S65 S112G63-K110 WeakPolarHBondContact O-CB 3.38Å; G63-K110 WeakPolarHBondContact O-CG 3.39Å; G63-K110 PolarHBondContact O-N 3.06Å; V64-K110 WeakPolarHBondContact O-CE 3.23Å; S65-K110 VanDerWaalsContact OG-CE 3.28Å; S65-K110 WeakPolarHBondContact OG-CE 3.03Å; S65-K110 WeakPolarHBondContact OG-CG 3.41Å; K110-S112 VanDerWaalsContact C-N 3.27Å; K110-S112 PolarHBondContact O-N 3.26Å
111A87.3Confident91.6Very high104 Ų10462.9 Ų62.986%0.8632%0.323SS*.THydrogen-bonded Turntrans-71.5-18.517700000114R109R109-A111 PolarHBondContact O-N 3.32Å
112S87.8Confident91.6Very high35 Ų3566.9 Ų66.925%0.24535%0.347CS..EExtended strand (participates in β ladder)trans-14674.8-178.761.60000110.6R109 K110 H114 I115R109-S112 WeakPolarHBondContact CB-OG 3.5Å; R109-S112 CarbonylContact O-C 3.59Å; R109-S112 PolarHBondContact O-N 3.24Å; K110-S112 VanDerWaalsContact C-N 3.27Å; K110-S112 PolarHBondContact O-N 3.26Å; S112-H114 PolarHBondContact O-N 3.4Å; S112-H114 VanDerWaalsContact O-N 3.11Å; S112-I115 PolarHBondContact O-N 3.22Å; S112-I115 VanDerWaalsContact O-N 3.15Å
113P84.9Confident91.6Very high66 Ų6663.4 Ų63.443%0.42933%0.331SS..EExtended strand (participates in β ladder)trans-63.9-18.6-171.6-23.835.1000115.3Y108 I115Y108-P113 HydrophobicContact CD2-CB 3.94Å; Y108-P113 HydrophobicContact CE2-CB 4.04Å; P113-I115 VanDerWaalsContact C-N 3.26Å; P113-I115 PolarHBondContact O-N 3.32Å
114H86.7Confident91.6Very high179 Ų17965.4 Ų65.483%0.82934%0.341SS*.EExtended strand (participates in β ladder)trans-76.1-11.6178.8-53.8-58.1000113.7S112S112-H114 PolarHBondContact O-N 3.4Å; S112-H114 VanDerWaalsContact O-N 3.11Å
115I86.8Confident91.6Very high87 Ų8764.5 Ų64.545%0.44634%0.335SS..EExtended strand (participates in β ladder)trans-103.8107.8-179.9-56.2177.2000108.4L34 Y108 S112 P113L34-I115 HydrophobicContact CD1-CG2 3.9Å; L34-I115 HydrophobicContact CG-CG2 4.2Å; Y108-I115 WeakPolarHBondContact CA-O 3.26Å; Y108-I115 VanDerWaalsContact CB-O 3.3Å; Y108-I115 WeakPolarHBondContact CB-O 3.3Å; S112-I115 PolarHBondContact O-N 3.22Å; S112-I115 VanDerWaalsContact O-N 3.15Å; P113-I115 VanDerWaalsContact C-N 3.26Å; P113-I115 PolarHBondContact O-N 3.32Å
116L89.6Confident91.8Very high85 Ų8564.7 Ų64.745%0.44534%0.336SS..EExtended strand (participates in β ladder)trans-99.6151.9177.9-70.785.2000111.3E106 Y107E106-L116 HydrophobicContact CG-CD2 4.42Å; Y107-L116 CarbonylContact O-C 3.59Å; Y107-L116 WeakPolarHBondContact O-CA 2.97Å
117S92.9Very high92Very high9 Ų964.2 Ų64.26%0.06333%0.334CS..PPolyproline II helixtrans-72.4167.9166.473.80000111.1Y107Y107-S117 VanDerWaalsContact CD1-OG 3.28Å; Y107-S117 WeakPolarHBondContact CD1-OG 3.34Å; Y107-S117 WeakPolarHBondContact CE1-OG 3.48Å; Y107-S117 PolarHBondContact N-OG 3.24Å; Y107-S117 PolarHBondContact O-N 3.39Å; Y107-S117 PolarHBondContact O-OG 3.37Å
118Q94.6Very high92.3Very high118 Ų11864.4 Ų64.455%0.55134%0.336SS*.PPolyproline II helixtrans-62.4159.4159.8-62.6179.74.400110.5P37P37-Q118 WeakPolarHBondContact CD-O 3.35Å
119H94.8Very high92.3Very high86 Ų8663.2 Ų63.240%0.39834%0.344SS..PPolyproline II helixtrans-67.6148.5169.9-64.3-51.1000111.4K36 C105 E106K36-H119 WeakPolarHBondContact CE-O 3.48Å; K36-H119 WeakPolarHBondContact CG-O 3.31Å; C105-H119 CarbonylContact O-C 3.59Å; C105-H119 WeakPolarHBondContact O-CA 3.45Å; E106-H119 IonicContact OE1-CE1 3.92Å; E106-H119 IonicContact OE2-CE1 2.94Å; E106-H119 PolarHBondContact OE2-CE1 3.2Å; E106-H119 IonicContact OE2-ND1 3.23Å; E106-H119 PolarHBondContact OE2-ND1 2.86Å; E106-H119 IonicContact OE2-NE2 3.99Å
120S96.5Very high92.5Very high7 Ų761.3 Ų61.35%0.04934%0.341CS..PPolyproline II helixtrans-60.8169.9167.970.90000111.8P37 C105P37-S120 WeakPolarHBondContact O-CA 3.44Å; P37-S120 VanDerWaalsContact O-CB 3.28Å; P37-S120 WeakPolarHBondContact O-CB 3.32Å; C105-S120 PolarHBondContact N-OG 3Å; C105-S120 PolarHBondContact O-N 3.06Å
121D96.1Very high92.9Very high113 Ų11356.9 Ų56.960%0.60432%0.322SS*.PPolyproline II helixtrans-58.8150.4160.9-67-54.1000110.7K36 L123K36-D121 IonicContact NZ-OD1 2.61Å; K36-D121 PolarHBondContact NZ-OD1 3Å; K36-D121 IonicContact NZ-OD2 2.97Å; K36-D121 PolarHBondContact NZ-OD2 3.39Å; D121-L123 PolarHBondContact O-N 3.49Å
122V96.1Very high93.2Very high86 Ų8654.5 Ų54.552%0.52130%0.299SS..PPolyproline II helixtrans-72.2125.2-178.3176.40000109.3E102 T104E102-V122 HydrophobicContact CB-CG1 3.63Å; E102-V122 HydrophobicContact CG-CG1 3.76Å; T104-V122 HydrophobicContact CG2-CB 4.49Å; T104-V122 HydrophobicContact CG2-CG2 3.81Å
123L96.7Very high93.6Very high20 Ų2056 Ų5611%0.10530%0.301CS..EExtended strand (participates in β ladder)trans-99.2112.1168-173149000108.8L39 A41 L55 Y103 D121 L125L39-L123 HydrophobicContact CD2-CB 3.84Å; L39-L123 HydrophobicContact CG-CB 4.12Å; L39-L123 HydrophobicContact CG-CD1 4.18Å; A41-L123 HydrophobicContact CB-CD1 3.78Å; A41-L123 HydrophobicContact CB-CD2 4.13Å; L55-L123 HydrophobicContact CD2-CD2 3.99Å; Y103-L123 PolarHBondContact N-O 2.88Å; Y103-L123 PolarHBondContact O-N 3.46Å; D121-L123 PolarHBondContact O-N 3.49Å; L123-L125 HydrophobicContact CD2-CB 4.2Å; L123-L125 PolarHBondContact O-N 2.84Å
124L96.6Very high94.1Very high43 Ų4352.9 Ų52.923%0.22528%0.281CS..EExtended strand (participates in β ladder)trans-82.5109172.4-179.562000109.6E102 L126 Y207 F213E102-L124 HydrophobicContact CG-CD1 4.08Å; L124-L126 HydrophobicContact CD1-CD2 4.29Å; L124-L126 HydrophobicContact CD2-CD2 4.1Å; L124-L126 HydrophobicContact CD2-CG 4.44Å; L124-L126 HydrophobicContact CG-CD2 4.01Å; L124-L126 HydrophobicContact CG-CG 4.23Å; L124-Y207 HydrophobicContact CD2-CD2 4.2Å; L124-Y207 HydrophobicContact CD2-CE2 3.47Å; L124-Y207 VanDerWaalsContact CD2-CE2 3.47Å; L124-F213 HydrophobicContact CD1-CD1 3.86Å; L124-F213 HydrophobicContact CD1-CE1 4.04Å; L124-F213 HydrophobicContact CD1-CG 4.33Å
125L97.4Very high94.6Very high0 Ų047.9 Ų47.90%026%0.257CS..EExtended strand (participates in β ladder)trans-88.9122.2172.4-179.468.9000109.1S45 V47 V53 L92 A100 G101 Y103 L123S45-L125 WeakPolarHBondContact O-CA 3.36Å; V47-L125 HydrophobicContact CG2-CD1 4.01Å; V53-L125 HydrophobicContact CG1-CD1 3.99Å; V53-L125 HydrophobicContact CG1-CD2 4.01Å; V53-L125 HydrophobicContact CG2-CD1 4.28Å; L92-L125 HydrophobicContact CD1-CD2 3.9Å; A100-L125 CarbonylContact C-O 3.46Å; A100-L125 VanDerWaalsContact CA-O 3.24Å; A100-L125 WeakPolarHBondContact CA-O 3.43Å; G101-L125 PolarHBondContact N-O 2.84Å; G101-L125 PolarHBondContact O-N 2.79Å; Y103-L125 HydrophobicContact CD2-CB 3.81Å; Y103-L125 HydrophobicContact CE2-CB 3.65Å; Y103-L125 HydrophobicContact CE2-CD2 3.82Å; Y103-L125 HydrophobicContact CE2-CG 4.37Å; L123-L125 HydrophobicContact CD2-CB 4.2Å; L123-L125 PolarHBondContact O-N 2.84Å
126L97.5Very high95Very high4 Ų444.4 Ų44.42%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-107.1127.9176-63.8176.6000110S45 V46 V47 L124 M205 Y207 F213 A215S45-L126 PolarHBondContact O-N 3.3Å; V46-L126 HydrophobicContact CG2-CB 4.41Å; V46-L126 HydrophobicContact CG2-CD1 4.27Å; V47-L126 PolarHBondContact N-O 2.82Å; L124-L126 HydrophobicContact CD1-CD2 4.29Å; L124-L126 HydrophobicContact CD2-CD2 4.1Å; L124-L126 HydrophobicContact CD2-CG 4.44Å; L124-L126 HydrophobicContact CG-CD2 4.01Å; L124-L126 HydrophobicContact CG-CG 4.23Å; L126-M205 HydrophobicContact CD1-CE 4.07Å; L126-Y207 HydrophobicContact CD1-CD1 3.53Å; L126-Y207 HydrophobicContact CD1-CD2 4.04Å; L126-Y207 HydrophobicContact CD1-CE1 3.89Å; L126-Y207 HydrophobicContact CD1-CE2 4.37Å; L126-Y207 HydrophobicContact CD1-CG 3.62Å; L126-Y207 HydrophobicContact CD2-CD2 3.76Å; L126-Y207 HydrophobicContact CD2-CE2 4.39Å; L126-Y207 HydrophobicContact CD2-CG 3.92Å; L126-Y207 HydrophobicContact CG-CG 4.45Å; L126-F213 HydrophobicContact CD2-CB 4.43Å; L126-A215 HydrophobicContact CB-CB 4.28Å; L126-A215 HydrophobicContact CD2-CB 4.48Å
127V97.1Very high95.3Very high0 Ų046.3 Ų46.30%024%0.241CC..EExtended strand (participates in β ladder)trans-105.1108.9172.5-175.10000108.5V47 A49 L95 N99 A100V47-V127 CarbonylContact O-C 3.57Å; V47-V127 VanDerWaalsContact O-CA 3.25Å; V47-V127 WeakPolarHBondContact O-CA 3.16Å; A49-V127 HydrophobicContact CB-CG1 4.1Å; L95-V127 HydrophobicContact CB-CG1 4.33Å; L95-V127 HydrophobicContact CB-CG2 4.35Å; N99-V127 HydrophobicContact CB-CG2 4.25Å; A100-V127 HydrophobicContact CB-CB 4.32Å; A100-V127 HydrophobicContact CB-CG2 4.25Å
128T95.9Very high95.3Very high6 Ų648.1 Ų48.14%0.03725%0.251CS..EExtended strand (participates in β ladder)trans-80.4163-173.567.10000112.4V46 V47 P48 A49 M205 A215 S216V46-T128 HydrophobicContact CG1-CG2 3.62Å; V47-T128 PolarHBondContact O-N 2.75Å; V47-T128 PolarHBondContact O-OG1 2.91Å; P48-T128 VanDerWaalsContact CA-OG1 3.31Å; P48-T128 WeakPolarHBondContact CA-OG1 3.48Å; A49-T128 PolarHBondContact N-O 2.9Å; T128-M205 HydrophobicContact CG2-CE 3.65Å; T128-A215 HydrophobicContact CG2-CB 4.36Å; T128-S216 VanDerWaalsContact CB-O 3.28Å; T128-S216 WeakPolarHBondContact CB-O 3.21Å; T128-S216 VanDerWaalsContact CG2-O 3.3Å; T128-S216 WeakPolarHBondContact CG2-O 3.35Å
129G90.2Very high94.8Very high44 Ų4449 Ų4945%0.45425%0.251SS..EExtended strand (participates in β ladder)trans111.24.2176.400000115.2A215G129-A215 PolarHBondContact N-O 2.82Å
130H91.9Very high94.2Very high85 Ų8549.2 Ų49.239%0.39425%0.252SS..EExtended strand (participates in β ladder)trans-96.4-31.2178.9-163.477.4000113.5V97 W214 A215V97-H130 HydrophobicContact CG1-CB 4.29Å; V97-H130 HydrophobicContact CG2-CB 4.28Å; H130-W214 HydrophobicContact CB-CB 4.25Å; H130-W214 HydrophobicContact CB-CG 4.29Å; H130-W214 AromaticContact CD2-CD1 3.65Å; H130-W214 AromaticContact CD2-CD2 3.08Å; H130-W214 AromaticContact CD2-CE2 3.55Å; H130-W214 AromaticContact CD2-CE3 3.41Å; H130-W214 VanDerWaalsContact CD2-CE3 3.41Å; H130-W214 AromaticContact CD2-CG 3.21Å; H130-W214 AromaticContact CD2-NE1 3.79Å; H130-W214 AromaticContact CE1-CE2 3.89Å; H130-W214 AromaticContact CG-CD1 3.86Å; H130-W214 AromaticContact CG-CG 3.8Å; H130-W214 AromaticContact NE2-CD2 3.22Å; H130-W214 AromaticContact NE2-CE2 3.23Å; H130-W214 AromaticContact NE2-CE3 3.41Å; H130-W214 AromaticContact NE2-CG 3.83Å; H130-W214 AromaticContact NE2-CH2 3.76Å; H130-W214 AromaticContact NE2-CZ2 3.53Å; H130-W214 AromaticContact NE2-CZ3 3.69Å; H130-W214 AromaticContact NE2-NE1 3.72Å; H130-A215 PolarHBondContact N-O 2.59Å
131L93Very high93.2Very high18 Ų1860.6 Ų60.69%0.09429%0.294CS..EExtended strand (participates in β ladder)trans-109.9159.5178-53.1171.1000110.7L160 Y206 W214 A215 S216L131-L160 HydrophobicContact CD1-CD1 4.01Å; L131-L160 HydrophobicContact CD2-CD1 4.43Å; L131-L160 HydrophobicContact CD2-CD2 4.32Å; L131-Y206 HydrophobicContact CB-CE2 4.03Å; L131-Y206 HydrophobicContact CD1-CD2 4.06Å; L131-Y206 HydrophobicContact CD1-CE2 3.8Å; L131-W214 HydrophobicContact CD1-CB 4.13Å; L131-W214 WeakPolarHBondContact CD1-O 3.46Å; L131-W214 HydrophobicContact CD2-CB 4.27Å; L131-W214 HydrophobicContact CD2-CE3 4.43Å; L131-W214 HydrophobicContact CG-CB 4.08Å; L131-A215 PolarHBondContact N-O 2.64Å; L131-S216 WeakPolarHBondContact O-CA 3.5Å
132S93.9Very high92.4Very high54 Ų5458.4 Ų58.438%0.37830%0.298SS..  trans-65.4140.2-179.1-56.90000111.6D158 Y206 S216S132-D158 VanDerWaalsContact CB-OD1 3.27Å; S132-D158 WeakPolarHBondContact CB-OD1 3.2Å; S132-D158 WeakPolarHBondContact CB-OD2 3.27Å; S132-D158 PolarHBondContact N-OD2 2.8Å; S132-D158 PolarHBondContact OG-OD1 2.96Å; S132-D158 PolarHBondContact OG-OD2 3.21Å; S132-Y206 VanDerWaalsContact O-CE1 3.29Å; S132-Y206 WeakPolarHBondContact O-CE1 3.28Å; S132-Y206 PolarHBondContact O-OH 3.48Å; S132-S216 WeakPolarHBondContact O-CB 3.15Å
133K95.8Very high92Very high65 Ų6557.8 Ų57.828%0.28329%0.294SS..  trans-60.5135.9175.373.8178.2-174.7172.30111.8E217 D220K133-E217 HydrophobicContact CB-CB 4.11Å; K133-D220 IonicContact NZ-OD1 3.68Å; K133-D220 PolarHBondContact NZ-OD1 2.9Å; K133-D220 IonicContact NZ-OD2 2.69Å; K133-D220 PolarHBondContact NZ-OD2 2.96Å
134P96.3Very high91.8Very high2 Ų257.7 Ų57.71%0.01329%0.294CS..  trans-77177.7174.233-32.7000111.1Q155 C204 Y206 E217 S219P134-Q155 CarbonylContact C-O 3.56Å; P134-Q155 VanDerWaalsContact CA-O 3.28Å; P134-Q155 WeakPolarHBondContact CA-O 3.39Å; P134-Q155 WeakPolarHBondContact CB-O 3.17Å; P134-C204 VanDerWaalsContact CG-O 3.24Å; P134-C204 WeakPolarHBondContact CG-O 3.1Å; P134-Y206 HydrophobicContact CB-CD1 3.92Å; P134-Y206 HydrophobicContact CB-CE1 3.86Å; P134-Y206 HydrophobicContact CG-CD1 3.97Å; P134-Y206 HydrophobicContact CG-CE1 4.13Å; P134-E217 WeakPolarHBondContact CD-O 3.33Å; P134-S219 WeakPolarHBondContact O-CB 3.38Å
135F96.6Very high91.5Very high74 Ų7459.4 Ų59.433%0.32531%0.307SS..EExtended strand (participates in β ladder)trans-111.3132.9173.5-165.4-97.5000110.3R137 C154 Q155F135-R137 HydrophobicContact CD1-CG 3.5Å; F135-R137 VanDerWaalsContact CD1-CG 3.5Å; F135-R137 HydrophobicContact CE1-CG 3.2Å; F135-R137 HydrophobicContact CZ-CG 4.42Å; F135-C154 WeakPolarHBondContact O-CA 3.47Å; F135-Q155 PolarHBondContact N-O 2.69Å; F135-Q155 PolarHBondContact O-N 2.69Å
136L96.8Very high91.4Very high13 Ų1360.9 Ų60.97%0.06832%0.319CS..EExtended strand (participates in β ladder)trans-108.7129.3176.5-17462000109.8L152 Q153 C154 C204 S219 L222L136-L152 HydrophobicContact CD1-CB 4Å; L136-Q153 WeakPolarHBondContact CA-O 3.34Å; L136-C154 HydrophobicContact CD1-CB 4.25Å; L136-C204 HydrophobicContact CD1-CB 4.03Å; L136-S219 WeakPolarHBondContact CB-OG 3.32Å; L136-L222 HydrophobicContact CD2-CB 3.98Å; L136-L222 HydrophobicContact CG-CB 4.49Å; L136-L222 HydrophobicContact CG-CD1 4.42Å
137R95.1Very high91.1Very high125 Ų12562.8 Ų62.847%0.47234%0.34SS..EExtended strand (participates in β ladder)trans-123.4152.6175.9-72173.7-166.5-151.1-7.9110F135 L152 Q153F135-R137 HydrophobicContact CD1-CG 3.5Å; F135-R137 VanDerWaalsContact CD1-CG 3.5Å; F135-R137 HydrophobicContact CE1-CG 3.2Å; F135-R137 HydrophobicContact CZ-CG 4.42Å; R137-L152 CarbonylContact O-C 3.54Å; R137-L152 WeakPolarHBondContact O-CA 3.4Å; R137-Q153 HydrophobicContact CB-CB 4.45Å; R137-Q153 PolarHBondContact N-O 3.35Å; R137-Q153 PolarHBondContact O-N 2.83Å
138T92.5Very high90.8Very high47 Ų4763.7 Ų63.729%0.28835%0.349SS..EExtended strand (participates in β ladder)trans-120.5147.3160.4-171.90000109.3Q140 T151 L222T138-Q140 WeakPolarHBondContact CG2-O 3.21Å; T138-Q140 PolarHBondContact OG1-N 3.16Å; T138-T151 PolarHBondContact OG1-O 2.02Å; T138-L222 HydrophobicContact CG2-CD1 3.95Å; T138-L222 HydrophobicContact CG2-CD2 4.08Å
139Y84.2Confident90.7Very high136 Ų13670.9 Ų70.953%0.53338%0.376SS..SBendtrans-86.7-17170.9-60.9-70.6000112.4T151 Q153Y139-T151 HydrophobicContact CD2-CG2 4.47Å; Y139-Q153 HydrophobicContact CE2-CB 4.06Å; Y139-Q153 PolarHBondContact OH-NE2 2.75Å; Y139-Q153 PolarHBondContact OH-OE1 3.04Å
140Q83.1Confident90.9Very high92 Ų9268.9 Ų68.943%0.4336%0.355SS..  trans-78.3132.7179.3-58.5-62.8500110T138 V144 R149 V150T138-Q140 WeakPolarHBondContact CG2-O 3.21Å; T138-Q140 PolarHBondContact OG1-N 3.16Å; Q140-V144 HydrophobicContact CB-CG2 4.4Å; Q140-R149 PolarHBondContact NE2-O 2.99Å; Q140-V150 HydrophobicContact CG-CG1 4.48Å
141R73.7Confident91Very high246 Ų24666.2 Ų66.293%0.92834%0.344SS*.  trans-102.5127.9173.7-73.3-176.9170.8-172.1-2.7109.4
142G80.3Confident91.1Very high66 Ų6665.4 Ų65.468%0.6834%0.34SS*.SBendtrans79.1-143.9175.400000113.4
143T87.9Confident91.2Very high74 Ų7463.8 Ų63.845%0.45433%0.327SS..PPolyproline II helixtrans-95.7137.8-169.3-47.90000111.6L225 T227T143-L225 HydrophobicContact CG2-CB 3.8Å; T143-L225 WeakPolarHBondContact CG2-O 3.24Å; T143-T227 HydrophobicContact CG2-CG2 3.3Å
144V91.3Very high91.2Very high17 Ų1760.7 Ų60.710%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-97.6139.2-176.6-176.60000109Q140 V150 V194 L225 V226 T227Q140-V144 HydrophobicContact CB-CG2 4.4Å; V144-V150 HydrophobicContact CB-CG2 4.12Å; V144-V150 HydrophobicContact CG1-CG2 3.82Å; V144-V150 HydrophobicContact CG2-CG2 3.66Å; V144-V194 HydrophobicContact CG1-CG2 3.79Å; V144-L225 PolarHBondContact N-O 3.37Å; V144-V226 CarbonylContact O-C 3.59Å; V144-V226 VanDerWaalsContact O-CA 3.23Å; V144-V226 WeakPolarHBondContact O-CA 3.15Å; V144-T227 PolarHBondContact O-N 2.97Å; V144-T227 PolarHBondContact O-OG1 3.25Å
145T92.1Very high91.1Very high79 Ų7963.8 Ų63.849%0.48533%0.327SS..EExtended strand (participates in β ladder)trans-79.9146.1175.447.70000111.2G148 V194 T227T145-G148 WeakPolarHBondContact O-CA 3.28Å; T145-G148 PolarHBondContact O-N 3.45Å; T145-V194 WeakPolarHBondContact O-CG2 3.39Å; T145-T227 CarbonylContact C-O 3.51Å; T145-T227 WeakPolarHBondContact CA-O 3.25Å
146A93.6Very high90.9Very high31 Ų3161.1 Ų61.126%0.25632%0.315SS..THydrogen-bonded Turntrans-58.3140174.100000111.1V194 V226 T227 V228A146-V194 CarbonylContact C-O 3.58Å; A146-V194 WeakPolarHBondContact CA-O 3.45Å; A146-V226 HydrophobicContact CB-CG1 4.26Å; A146-T227 PolarHBondContact N-O 2.61Å; A146-V228 HydrophobicContact CB-CG2 4.28Å
147G91.8Very high90.6Very high45 Ų4567.7 Ų67.746%0.46434%0.339SS..THydrogen-bonded Turntrans81.2-3.8-167.700000114.1D193 V194G147-D193 WeakPolarHBondContact CA-OD1 3.46Å; G147-V194 PolarHBondContact N-O 2.91Å
148G91.1Very high90Very high19 Ų1963.5 Ų63.520%0.19633%0.327CS..  trans-75.2-174.1177.800000114T145 D193 V194T145-G148 WeakPolarHBondContact O-CA 3.28Å; T145-G148 PolarHBondContact O-N 3.45Å; G148-D193 PolarHBondContact O-N 2.83Å; G148-V194 PolarHBondContact O-N 2.9Å
149R93.4Very high89.6Confident157 Ų15767 Ų6759%0.59234%0.34SS*.EExtended strand (participates in β ladder)trans-126.9132.1176.8-179.2-175.1-63-176.1-0.5111.1Q140 L191 V192Q140-R149 PolarHBondContact NE2-O 2.99Å; R149-L191 CarbonylContact C-O 3.56Å; R149-L191 VanDerWaalsContact CA-O 3.31Å; R149-L191 WeakPolarHBondContact CA-O 3.46Å; R149-V192 HydrophobicContact CG-CG1 4.17Å
150V93.8Very high89.5Confident2 Ų262.6 Ų62.61%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-114.6128.5171.3-172.10000109.8Q140 V144 L152 S190 L191 V194 I224Q140-V150 HydrophobicContact CG-CG1 4.48Å; V144-V150 HydrophobicContact CB-CG2 4.12Å; V144-V150 HydrophobicContact CG1-CG2 3.82Å; V144-V150 HydrophobicContact CG2-CG2 3.66Å; V150-L152 HydrophobicContact CG1-CD2 4.03Å; V150-L152 HydrophobicContact CG1-CG 4.23Å; V150-S190 CarbonylContact O-C 3.45Å; V150-S190 WeakPolarHBondContact O-CA 3.29Å; V150-L191 HydrophobicContact CB-CB 4.31Å; V150-L191 PolarHBondContact N-O 2.81Å; V150-L191 PolarHBondContact O-N 3Å; V150-V194 HydrophobicContact CG2-CG1 4.12Å; V150-I224 HydrophobicContact CG1-CD1 3.97Å; V150-I224 HydrophobicContact CG2-CG2 4.28Å
151T95.1Very high89.5Confident29 Ų2966.9 Ų66.918%0.17834%0.343CS..EExtended strand (participates in β ladder)trans-112.9128.3173.5-58.20000109.2T138 Y139 D188 F189 S190T138-T151 PolarHBondContact OG1-O 2.02Å; Y139-T151 HydrophobicContact CD2-CG2 4.47Å; T151-D188 HydrophobicContact CG2-CB 3.87Å; T151-F189 CarbonylContact C-O 3.54Å; T151-F189 WeakPolarHBondContact CA-O 3.34Å; T151-S190 PolarHBondContact OG1-OG 2.87Å
152L95.4Very high90.2Very high0 Ų058.2 Ų58.20%032%0.317CS..EExtended strand (participates in β ladder)trans-119.2113.2-176.9-60.6173.4000108.8L136 R137 V150 L168 D188 F189 Y202 L222 I224L136-L152 HydrophobicContact CD1-CB 4Å; R137-L152 CarbonylContact O-C 3.54Å; R137-L152 WeakPolarHBondContact O-CA 3.4Å; V150-L152 HydrophobicContact CG1-CD2 4.03Å; V150-L152 HydrophobicContact CG1-CG 4.23Å; L152-L168 HydrophobicContact CD1-CD1 3.74Å; L152-L168 HydrophobicContact CD1-CD2 3.94Å; L152-L168 HydrophobicContact CD1-CG 4.49Å; L152-D188 WeakPolarHBondContact O-CA 3.49Å; L152-F189 HydrophobicContact CB-CB 4.41Å; L152-F189 PolarHBondContact N-O 2.93Å; L152-F189 PolarHBondContact O-N 2.95Å; L152-Y202 HydrophobicContact CD1-CD1 4.15Å; L152-Y202 HydrophobicContact CD1-CG 4.32Å; L152-L222 HydrophobicContact CD2-CD2 3.96Å; L152-I224 HydrophobicContact CD1-CD1 4Å; L152-I224 HydrophobicContact CD2-CD1 4.13Å; L152-I224 HydrophobicContact CG-CD1 4.47Å
153Q95.4Very high90.7Very high21 Ų2159.4 Ų59.410%0.09831%0.312CS..EExtended strand (participates in β ladder)trans-90.9120.9177.6-178.9170.680.300109.9L136 R137 Y139 E186 I187 D188L136-Q153 WeakPolarHBondContact CA-O 3.34Å; R137-Q153 HydrophobicContact CB-CB 4.45Å; R137-Q153 PolarHBondContact N-O 3.35Å; R137-Q153 PolarHBondContact O-N 2.83Å; Y139-Q153 HydrophobicContact CE2-CB 4.06Å; Y139-Q153 PolarHBondContact OH-NE2 2.75Å; Y139-Q153 PolarHBondContact OH-OE1 3.04Å; Q153-E186 HydrophobicContact CG-CB 4.35Å; Q153-I187 WeakPolarHBondContact CA-O 3.31Å; Q153-D188 VanDerWaalsContact CB-OD1 3.25Å; Q153-D188 WeakPolarHBondContact CB-OD1 3.36Å; Q153-D188 VanDerWaalsContact CG-OD1 3.27Å; Q153-D188 WeakPolarHBondContact CG-OD1 3.46Å; Q153-D188 PolarHBondContact NE2-OD1 3.36Å
154C95.6Very high90.9Very high0 Ų056.5 Ų56.50%029%0.294CS..EExtended strand (participates in β ladder)trans-106.3127.7173.7-1730000110.3F135 L136 F166 E186 I187 F189 C204F135-C154 WeakPolarHBondContact O-CA 3.47Å; L136-C154 HydrophobicContact CD1-CB 4.25Å; C154-F166 HydrophobicContact CB-CD1 4.08Å; C154-F166 HydrophobicContact CB-CE1 4.31Å; C154-F166 WeakPolarHBondContact SG-CD1 3.43Å; C154-E186 CarbonylContact O-C 3.56Å; C154-E186 WeakPolarHBondContact O-CA 3.31Å; C154-I187 HydrophobicContact CB-CG2 4.29Å; C154-I187 PolarHBondContact N-O 2.85Å; C154-I187 PolarHBondContact O-N 2.84Å; C154-F189 HydrophobicContact CB-CD2 4.36Å; C154-F189 HydrophobicContact CB-CE2 4.02Å; C154-C204 HydrophobicContact CB-CB 3.62Å; C154-C204 WeakPolarHBondContact CB-SG 3.22Å; C154-C204 WeakPolarHBondContact SG-CB 3.27Å; C154-C204 CovalentContact SG-SG 2.02Å; C154-C204 PolarHBondContact SG-SG 3.49Å
155Q94.6Very high91.1Very high66 Ų6657.5 Ų57.531%0.30830%0.298SS..EExtended strand (participates in β ladder)trans-125.7126.2-177.4-174.5178.753.700111.1P134 F135 E186P134-Q155 CarbonylContact C-O 3.56Å; P134-Q155 VanDerWaalsContact CA-O 3.28Å; P134-Q155 WeakPolarHBondContact CA-O 3.39Å; P134-Q155 WeakPolarHBondContact CB-O 3.17Å; F135-Q155 PolarHBondContact N-O 2.69Å; F135-Q155 PolarHBondContact O-N 2.69Å; Q155-E186 HydrophobicContact CB-CB 4.04Å; Q155-E186 HydrophobicContact CG-CB 4.09Å; Q155-E186 PolarHBondContact NE2-OE2 3.47Å
156K92.9Very high91.3Very high18 Ų1853.7 Ų53.78%0.07828%0.275CS..  trans-85.1148.9176.173.9-167.4177.190.60111.5D158 I164 F166 K185 Y206K156-D158 PolarHBondContact NZ-O 2.78Å; K156-I164 HydrophobicContact CD-CD1 3.36Å; K156-F166 HydrophobicContact CB-CE1 4.16Å; K156-F166 HydrophobicContact CB-CZ 3.82Å; K156-F166 HydrophobicContact CD-CE2 4.24Å; K156-F166 HydrophobicContact CD-CZ 3.84Å; K156-F166 HydrophobicContact CG-CZ 4.04Å; K156-K185 PolarHBondContact N-O 2.66Å; K156-Y206 HydrophobicContact CB-CD1 3.8Å; K156-Y206 HydrophobicContact CB-CD2 4.5Å; K156-Y206 HydrophobicContact CB-CE1 3.52Å; K156-Y206 HydrophobicContact CB-CE2 4.26Å; K156-Y206 HydrophobicContact CB-CG 4.27Å
157R88.7Confident91.4Very high151 Ų15152.2 Ų52.257%0.5726%0.263SS*.  trans-87.8-38173.5-65.8-173.8179.4135.3-3.4112.4
158D82.9Confident91.7Very high38 Ų3850.1 Ų50.120%0.20324%0.241CC..SBendtrans-72.8136.9-172.9-59.5-34000112.2S132 K156 L160 Y206S132-D158 VanDerWaalsContact CB-OD1 3.27Å; S132-D158 WeakPolarHBondContact CB-OD1 3.2Å; S132-D158 WeakPolarHBondContact CB-OD2 3.27Å; S132-D158 PolarHBondContact N-OD2 2.8Å; S132-D158 PolarHBondContact OG-OD1 2.96Å; S132-D158 PolarHBondContact OG-OD2 3.21Å; K156-D158 PolarHBondContact NZ-O 2.78Å; D158-L160 HydrophobicContact CB-CD1 4.44Å; D158-L160 HydrophobicContact CB-CG 4.05Å; D158-L160 PolarHBondContact O-N 3.25Å; D158-L160 VanDerWaalsContact O-N 3.15Å; D158-Y206 PolarHBondContact OD2-OH 2.74Å
159Q83.6Confident92Very high121 Ų12150.1 Ų50.157%0.56524%0.236SC*.  trans-86.380.3170-169.3140.2-18.700110.1F161Q159-F161 HydrophobicContact CG-CE1 4.44Å; Q159-F161 HydrophobicContact CG-CE2 4.11Å; Q159-F161 HydrophobicContact CG-CZ 3.88Å
160L83Confident92.2Very high42 Ų4244.5 Ų44.522%0.2222%0.216CC..  trans-86.1131174.1-65.2170.4000110.9L131 D158 V162 I164 Y206L131-L160 HydrophobicContact CD1-CD1 4.01Å; L131-L160 HydrophobicContact CD2-CD1 4.43Å; L131-L160 HydrophobicContact CD2-CD2 4.32Å; D158-L160 HydrophobicContact CB-CD1 4.44Å; D158-L160 HydrophobicContact CB-CG 4.05Å; D158-L160 PolarHBondContact O-N 3.25Å; D158-L160 VanDerWaalsContact O-N 3.15Å; L160-V162 HydrophobicContact CB-CG2 4.2Å; L160-I164 HydrophobicContact CB-CG2 4.44Å; L160-I164 HydrophobicContact CD1-CG2 3.85Å; L160-Y206 HydrophobicContact CD1-CD2 4.03Å; L160-Y206 HydrophobicContact CD1-CE2 3.63Å
161F83.3Confident92.3Very high183 Ų18347.1 Ų47.180%0.80324%0.238SC*.  trans-99.616.1173.9-61-80.1000112.8Q159Q159-F161 HydrophobicContact CG-CE1 4.44Å; Q159-F161 HydrophobicContact CG-CE2 4.11Å; Q159-F161 HydrophobicContact CG-CZ 3.88Å
162V87.6Confident92.2Very high64 Ų6449.9 Ų49.939%0.38827%0.272SS..SBendtrans-108.9154.6177.9-66.50000110.2L160 I164 Q208L160-V162 HydrophobicContact CB-CG2 4.2Å; V162-I164 HydrophobicContact CG2-CG2 4.3Å; V162-I164 PolarHBondContact O-N 2.73Å; V162-Q208 HydrophobicContact CG2-CG 3.85Å
163P90.8Very high92.1Very high90 Ų9052.1 Ų52.158%0.58429%0.286SS*.  trans-59.4126.8172.7-23.734.8000111.1T209P163-T209 PolarHBondContact O-N 3.25Å
164I92.9Very high92Very high14 Ų1454.4 Ų54.47%0.07230%0.302CS..EExtended strand (participates in β ladder)trans-126.4160178.659.7165.3000110.4K156 L160 V162 F166 P182 Y206 Y207K156-I164 HydrophobicContact CD-CD1 3.36Å; L160-I164 HydrophobicContact CB-CG2 4.44Å; L160-I164 HydrophobicContact CD1-CG2 3.85Å; V162-I164 HydrophobicContact CG2-CG2 4.3Å; V162-I164 PolarHBondContact O-N 2.73Å; I164-F166 HydrophobicContact CD1-CD2 4.43Å; I164-F166 HydrophobicContact CD1-CE2 3.84Å; I164-F166 HydrophobicContact CD1-CZ 4.45Å; I164-P182 HydrophobicContact CD1-CG 3.92Å; I164-P182 HydrophobicContact CG1-CG 3.66Å; I164-P182 WeakPolarHBondContact O-CD 3.28Å; I164-Y206 HydrophobicContact CD1-CD2 4.41Å; I164-Y207 CarbonylContact C-O 3.55Å; I164-Y207 WeakPolarHBondContact CA-O 3.37Å; I164-Y207 WeakPolarHBondContact CB-O 3.17Å
165M95.3Very high91.9Very high37 Ų3757.4 Ų57.418%0.18232%0.323CS..EExtended strand (participates in β ladder)trans-121.8143168.1-75.9-74.1-65.300108.8L179 Q180 S181 Y206 Y207 T209M165-L179 HydrophobicContact CE-CB 3.8Å; M165-Q180 VanDerWaalsContact CE-C 3.47Å; M165-Q180 VanDerWaalsContact SD-C 3.56Å; M165-S181 WeakPolarHBondContact SD-CA 3.49Å; M165-S181 VanDerWaalsContact SD-CB 3.58Å; M165-S181 PolarHBondContact SD-N 2.85Å; M165-S181 VanDerWaalsContact SD-N 3.36Å; M165-Y206 CarbonylContact O-C 3.51Å; M165-Y206 WeakPolarHBondContact O-CA 3.17Å; M165-Y206 WeakPolarHBondContact O-CB 3.45Å; M165-Y207 HydrophobicContact CB-CD1 4.33Å; M165-Y207 HydrophobicContact CB-CE1 3.69Å; M165-Y207 HydrophobicContact CB-CE2 4.05Å; M165-Y207 PolarHBondContact N-O 3.29Å; M165-Y207 PolarHBondContact O-N 3.3Å; M165-T209 HydrophobicContact CB-CG2 4Å; M165-T209 HydrophobicContact CG-CG2 3.22Å
166F96.2Very high91.9Very high0 Ų055.6 Ų55.60%032%0.317CS..EExtended strand (participates in β ladder)trans-94.7144.9166.3-77.9-95.9000109.6C154 K156 I164 L179 Q180 P182 I187 F189 M205 Y206C154-F166 HydrophobicContact CB-CD1 4.08Å; C154-F166 HydrophobicContact CB-CE1 4.31Å; C154-F166 WeakPolarHBondContact SG-CD1 3.43Å; K156-F166 HydrophobicContact CB-CE1 4.16Å; K156-F166 HydrophobicContact CB-CZ 3.82Å; K156-F166 HydrophobicContact CD-CE2 4.24Å; K156-F166 HydrophobicContact CD-CZ 3.84Å; K156-F166 HydrophobicContact CG-CZ 4.04Å; I164-F166 HydrophobicContact CD1-CD2 4.43Å; I164-F166 HydrophobicContact CD1-CE2 3.84Å; I164-F166 HydrophobicContact CD1-CZ 4.45Å; F166-L179 WeakPolarHBondContact O-CA 3.28Å; F166-Q180 PolarHBondContact N-O 3.24Å; F166-Q180 PolarHBondContact O-N 2.87Å; F166-P182 HydrophobicContact CD2-CB 3.73Å; F166-P182 HydrophobicContact CD2-CG 3.76Å; F166-P182 HydrophobicContact CE2-CB 3.57Å; F166-P182 HydrophobicContact CE2-CG 3.69Å; F166-I187 HydrophobicContact CB-CG2 3.64Å; F166-I187 HydrophobicContact CD1-CG2 3.9Å; F166-I187 HydrophobicContact CD2-CB 4.48Å; F166-I187 HydrophobicContact CD2-CG2 3.8Å; F166-I187 HydrophobicContact CE1-CG2 4.44Å; F166-I187 HydrophobicContact CE2-CG2 4.37Å; F166-I187 HydrophobicContact CG-CG2 3.52Å; F166-F189 HydrophobicContact CB-CE2 4.08Å; F166-F189 HydrophobicContact CB-CZ 3.66Å; F166-M205 WeakPolarHBondContact CA-O 3.17Å; F166-Y206 HydrophobicContact CE1-CD1 4.25Å; F166-Y206 HydrophobicContact CE1-CG 4.44Å
167A97.1Very high92.1Very high0 Ų057.7 Ų57.70%033%0.329CS..EExtended strand (participates in β ladder)trans-126.7130177.700000109.7L169 P176 Q178 L179 C204 M205 Y207A167-L169 HydrophobicContact CB-CD2 4.35Å; A167-P176 HydrophobicContact CB-CB 3.99Å; A167-P176 HydrophobicContact CB-CG 4.09Å; A167-Q178 WeakPolarHBondContact CA-O 3.48Å; A167-L179 HydrophobicContact CB-CD2 3.58Å; A167-C204 VanDerWaalsContact O-CA 3.3Å; A167-C204 WeakPolarHBondContact O-CA 3.41Å; A167-M205 HydrophobicContact CB-CG 3.78Å; A167-M205 PolarHBondContact N-O 3.5Å; A167-M205 PolarHBondContact O-N 2.85Å; A167-Y207 HydrophobicContact CB-CE1 4.26Å
168L97.8Very high92.5Very high0 Ų052.9 Ų52.90%031%0.313CS..EExtended strand (participates in β ladder)trans-91.9129.1166.9-173.869.4000108.8L152 P176 I177 Q178 F189 L191 Y202L152-L168 HydrophobicContact CD1-CD1 3.74Å; L152-L168 HydrophobicContact CD1-CD2 3.94Å; L152-L168 HydrophobicContact CD1-CG 4.49Å; L168-P176 WeakPolarHBondContact O-CA 3.34Å; L168-I177 HydrophobicContact CB-CG1 4.15Å; L168-I177 HydrophobicContact CD2-CD1 3.6Å; L168-I177 HydrophobicContact CD2-CG1 4.05Å; L168-I177 HydrophobicContact CG-CD1 3.92Å; L168-I177 HydrophobicContact CG-CG1 4Å; L168-I177 VanDerWaalsContact O-CG1 3.26Å; L168-I177 WeakPolarHBondContact O-CG1 2.96Å; L168-I177 PolarHBondContact O-N 2.87Å; L168-Q178 HydrophobicContact CB-CB 4.18Å; L168-Q178 PolarHBondContact N-O 2.86Å; L168-F189 HydrophobicContact CB-CB 4.46Å; L168-F189 HydrophobicContact CB-CD1 3.88Å; L168-F189 HydrophobicContact CB-CD2 4.07Å; L168-F189 HydrophobicContact CB-CE1 4.04Å; L168-F189 HydrophobicContact CB-CE2 4.22Å; L168-F189 HydrophobicContact CB-CG 3.87Å; L168-F189 HydrophobicContact CB-CZ 4.2Å; L168-F189 HydrophobicContact CD1-CD2 4.28Å; L168-F189 HydrophobicContact CD1-CG 4.47Å; L168-F189 HydrophobicContact CD2-CB 3.84Å; L168-F189 HydrophobicContact CD2-CG 4.19Å; L168-F189 HydrophobicContact CG-CG 4.4Å; L168-L191 HydrophobicContact CD2-CD2 4.29Å; L168-Y202 HydrophobicContact CD1-CD1 4.39Å; L168-Y202 HydrophobicContact CD2-CD1 4.18Å; L168-Y202 HydrophobicContact CG-CD1 4.29Å
169L97.6Very high93.1Very high20 Ų2055.2 Ų55.211%0.10533%0.325CS..EExtended strand (participates in β ladder)trans-113.7143.2-178.6-50.2179.3000109.1V46 A167 P176 Y202 S203 M205 P218V46-L169 HydrophobicContact CG1-CD1 4.48Å; V46-L169 HydrophobicContact CG2-CD2 4.37Å; A167-L169 HydrophobicContact CB-CD2 4.35Å; L169-P176 HydrophobicContact CD2-CB 3.97Å; L169-P176 HydrophobicContact CD2-CG 3.79Å; L169-Y202 WeakPolarHBondContact O-CA 3.34Å; L169-S203 PolarHBondContact N-O 2.88Å; L169-S203 PolarHBondContact O-N 2.85Å; L169-M205 HydrophobicContact CD1-CG 4.1Å; L169-M205 HydrophobicContact CD1-SD 3.88Å; L169-M205 HydrophobicContact CD2-SD 4.28Å; L169-M205 HydrophobicContact CG-CG 4.4Å; L169-M205 HydrophobicContact CG-SD 4.48Å; L169-P218 HydrophobicContact CD1-CB 4.21Å; L169-P218 HydrophobicContact CD1-CG 4.06Å
170K97.1Very high93.6Very high38 Ų3852.6 Ų52.617%0.16531%0.313CS..EExtended strand (participates in β ladder)trans-118.6135.9169.8-174.8-179.3-176.5174.10109.3G172 T173 I177 G197 Y202K170-G172 PolarHBondContact O-N 2.81Å; K170-T173 HydrophobicContact CB-CG2 4.02Å; K170-T173 HydrophobicContact CD-CG2 4.22Å; K170-T173 HydrophobicContact CG-CG2 4.36Å; K170-T173 PolarHBondContact O-N 3.3Å; K170-T173 VanDerWaalsContact O-N 3.16Å; K170-T173 PolarHBondContact O-OG1 3.23Å; K170-I177 HydrophobicContact CB-CD1 4.13Å; K170-I177 HydrophobicContact CB-CG2 4.09Å; K170-G197 PolarHBondContact NZ-O 2.6Å; K170-Y202 HydrophobicContact CB-CD1 4.33Å; K170-Y202 HydrophobicContact CB-CE1 4.12Å; K170-Y202 HydrophobicContact CD-CE1 4.16Å; K170-Y202 HydrophobicContact CD-CE2 4.43Å; K170-Y202 WeakPolarHBondContact CD-OH 3.29Å; K170-Y202 WeakPolarHBondContact CE-OH 3.18Å; K170-Y202 HydrophobicContact CG-CE1 4.1Å; K170-Y202 HydrophobicContact CG-CE2 4.28Å; K170-Y202 PolarHBondContact NZ-OH 2.9Å
171A95.3Very high93.8Very high58 Ų5854.6 Ų54.648%0.47933%0.33SS..THydrogen-bonded Turntrans-58.6135.2175.800000110.6T173 N201A171-T173 VanDerWaalsContact C-N 3.31Å; A171-T173 PolarHBondContact O-N 3.01Å; A171-N201 HydrophobicContact CB-CB 3.99Å; A171-N201 PolarHBondContact N-O 2.99Å
172G92.8Very high93.6Very high86 Ų8647.5 Ų47.589%0.88730%0.302SS*.THydrogen-bonded Turntrans83.1-5-17800000115.4K170K170-G172 PolarHBondContact O-N 2.81Å
173T94.4Very high92.5Very high48 Ų4850.1 Ų50.129%0.29433%0.33SS..  trans-94.5134.7171.261.50000111.2K170 A171 S175 I177K170-T173 HydrophobicContact CB-CG2 4.02Å; K170-T173 HydrophobicContact CD-CG2 4.22Å; K170-T173 HydrophobicContact CG-CG2 4.36Å; K170-T173 PolarHBondContact O-N 3.3Å; K170-T173 VanDerWaalsContact O-N 3.16Å; K170-T173 PolarHBondContact O-OG1 3.23Å; A171-T173 VanDerWaalsContact C-N 3.31Å; A171-T173 PolarHBondContact O-N 3.01Å; T173-S175 VanDerWaalsContact C-N 3.27Å; T173-S175 PolarHBondContact O-N 2.96Å; T173-S175 PolarHBondContact OG1-O 2.87Å; T173-I177 HydrophobicContact CG2-CG2 4.11Å
174P92.3Very high92Very high69 Ų6947.7 Ų47.745%0.44832%0.322SS..SBendtrans-76.9-9.3-175.431.2-36.7000114P43 S44 S45P43-P174 WeakPolarHBondContact O-CB 3.27Å; S44-P174 CarbonylContact C-O 3.56Å; S44-P174 WeakPolarHBondContact CA-O 3.47Å; S44-P174 PolarHBondContact OG-O 2.96Å; S45-P174 PolarHBondContact N-O 2.85Å
175S93.3Very high91.8Very high63 Ų6352.1 Ų52.144%0.44134%0.341SS..SBendtrans-143.4159.8-178.860.70000110.6T173 I177T173-S175 VanDerWaalsContact C-N 3.27Å; T173-S175 PolarHBondContact O-N 2.96Å; T173-S175 PolarHBondContact OG1-O 2.87Å; S175-I177 PolarHBondContact O-N 2.98Å
176P96.3Very high91.6Very high27 Ų2754.4 Ų54.418%0.17535%0.351CS..  trans-52.7138172.2-26.435.3000112.3V46 A167 L168 L169 L179V46-P176 HydrophobicContact CG2-CG 4.11Å; A167-P176 HydrophobicContact CB-CB 3.99Å; A167-P176 HydrophobicContact CB-CG 4.09Å; L168-P176 WeakPolarHBondContact O-CA 3.34Å; L169-P176 HydrophobicContact CD2-CB 3.97Å; L169-P176 HydrophobicContact CD2-CG 3.79Å; P176-L179 HydrophobicContact CB-CD2 3.77Å; P176-L179 HydrophobicContact CB-CG 4.17Å; P176-L179 HydrophobicContact CG-CD2 4.11Å
177I96.1Very high91.5Very high63 Ų6355.4 Ų55.432%0.32336%0.356SS..SBendtrans-86.9-25.3-179.855.2160.4000112.5L168 K170 T173 S175 L191 Y202L168-I177 HydrophobicContact CB-CG1 4.15Å; L168-I177 HydrophobicContact CD2-CD1 3.6Å; L168-I177 HydrophobicContact CD2-CG1 4.05Å; L168-I177 HydrophobicContact CG-CD1 3.92Å; L168-I177 HydrophobicContact CG-CG1 4Å; L168-I177 VanDerWaalsContact O-CG1 3.26Å; L168-I177 WeakPolarHBondContact O-CG1 2.96Å; L168-I177 PolarHBondContact O-N 2.87Å; K170-I177 HydrophobicContact CB-CD1 4.13Å; K170-I177 HydrophobicContact CB-CG2 4.09Å; T173-I177 HydrophobicContact CG2-CG2 4.11Å; S175-I177 PolarHBondContact O-N 2.98Å; I177-L191 HydrophobicContact CD1-CD2 4.39Å; I177-Y202 HydrophobicContact CD1-CD1 3.96Å; I177-Y202 HydrophobicContact CD1-CE1 3.51Å
178Q96.6Very high91.4Very high50 Ų5058.7 Ų58.723%0.23437%0.374CS..EExtended strand (participates in β ladder)trans-142.8142.1171.6-63.6-169.61300109.6A167 L168 F189 S190A167-Q178 WeakPolarHBondContact CA-O 3.48Å; L168-Q178 HydrophobicContact CB-CB 4.18Å; L168-Q178 PolarHBondContact N-O 2.86Å; Q178-F189 HydrophobicContact CB-CD1 3.71Å; Q178-F189 HydrophobicContact CB-CE1 3.97Å; Q178-S190 PolarHBondContact NE2-O 2.98Å
179L95.4Very high91.3Very high87 Ų8758.7 Ų58.746%0.45537%0.374SS..EExtended strand (participates in β ladder)trans-127.4128176.1-68.9174.8000108M165 F166 A167 P176 Y207M165-L179 HydrophobicContact CE-CB 3.8Å; F166-L179 WeakPolarHBondContact O-CA 3.28Å; A167-L179 HydrophobicContact CB-CD2 3.58Å; P176-L179 HydrophobicContact CB-CD2 3.77Å; P176-L179 HydrophobicContact CB-CG 4.17Å; P176-L179 HydrophobicContact CG-CD2 4.11Å; L179-Y207 HydrophobicContact CD2-CE1 4.13Å
180Q94.4Very high91.2Very high66 Ų6659.9 Ų59.931%0.30838%0.384SS..EExtended strand (participates in β ladder)trans-143.5142.6178.9-63.7-173.131.800111.9M165 F166 I187 F189M165-Q180 VanDerWaalsContact CE-C 3.47Å; M165-Q180 VanDerWaalsContact SD-C 3.56Å; F166-Q180 PolarHBondContact N-O 3.24Å; F166-Q180 PolarHBondContact O-N 2.87Å; Q180-I187 HydrophobicContact CB-CD1 3.37Å; Q180-I187 HydrophobicContact CB-CG1 4.42Å; Q180-I187 HydrophobicContact CG-CD1 4.39Å; Q180-F189 HydrophobicContact CB-CE1 4.03Å; Q180-F189 HydrophobicContact CG-CD1 4.22Å; Q180-F189 HydrophobicContact CG-CE1 3.86Å
181S87.1Confident91.1Very high84 Ų8458.8 Ų58.859%0.58738%0.38SS*.  trans-83.8131.6173.2550000109.7M165M165-S181 WeakPolarHBondContact SD-CA 3.49Å; M165-S181 VanDerWaalsContact SD-CB 3.58Å; M165-S181 PolarHBondContact SD-N 2.85Å; M165-S181 VanDerWaalsContact SD-N 3.36Å
182P78.8Confident91Very high33 Ų3360.5 Ų60.521%0.21438%0.384CS..  trans-75.9149.2179.932.4-33.1000112.6I164 F166I164-P182 HydrophobicContact CD1-CG 3.92Å; I164-P182 HydrophobicContact CG1-CG 3.66Å; I164-P182 WeakPolarHBondContact O-CD 3.28Å; F166-P182 HydrophobicContact CD2-CB 3.73Å; F166-P182 HydrophobicContact CD2-CG 3.76Å; F166-P182 HydrophobicContact CE2-CB 3.57Å; F166-P182 HydrophobicContact CE2-CG 3.69Å
183A65.8Low91Very high119 Ų11962.4 Ų62.498%0.98337%0.374SS*.SBendtrans-85.2-14.8160.200000112.2
184G80Confident91Very high40 Ų4060.2 Ų60.241%0.41236%0.36SS..SBendtrans-159.6-142.9-173.600000115.2
185K87.7Confident91Very high106 Ų10660.4 Ų60.446%0.46136%0.36SS..SBendtrans-83.1-13178.8-70.1-172.9177-173.80113.8K156K156-K185 PolarHBondContact N-O 2.66Å
186E91.9Very high91Very high86 Ų8660.3 Ų60.340%0.40236%0.364SS..EExtended strand (participates in β ladder)trans-138.6160.7-178.261.3-161.1-154.800111.2Q153 C154 Q155Q153-E186 HydrophobicContact CG-CB 4.35Å; C154-E186 CarbonylContact O-C 3.56Å; C154-E186 WeakPolarHBondContact O-CA 3.31Å; Q155-E186 HydrophobicContact CB-CB 4.04Å; Q155-E186 HydrophobicContact CG-CB 4.09Å; Q155-E186 PolarHBondContact NE2-OE2 3.47Å
187I94.1Very high90.8Very high20 Ų2061.6 Ų61.610%0.10338%0.381CS..EExtended strand (participates in β ladder)trans-150.1149.1176.8-168.1156.5000110.7Q153 C154 F166 Q180 F189Q153-I187 WeakPolarHBondContact CA-O 3.31Å; C154-I187 HydrophobicContact CB-CG2 4.29Å; C154-I187 PolarHBondContact N-O 2.85Å; C154-I187 PolarHBondContact O-N 2.84Å; F166-I187 HydrophobicContact CB-CG2 3.64Å; F166-I187 HydrophobicContact CD1-CG2 3.9Å; F166-I187 HydrophobicContact CD2-CB 4.48Å; F166-I187 HydrophobicContact CD2-CG2 3.8Å; F166-I187 HydrophobicContact CE1-CG2 4.44Å; F166-I187 HydrophobicContact CE2-CG2 4.37Å; F166-I187 HydrophobicContact CG-CG2 3.52Å; Q180-I187 HydrophobicContact CB-CD1 3.37Å; Q180-I187 HydrophobicContact CB-CG1 4.42Å; Q180-I187 HydrophobicContact CG-CD1 4.39Å; I187-F189 HydrophobicContact CG2-CD2 4.39Å; I187-F189 HydrophobicContact CG2-CE2 3.76Å; I187-F189 HydrophobicContact CG2-CZ 4.12Å
188D94.9Very high90.7Very high69 Ų6960.7 Ų60.737%0.36938%0.377SS..EExtended strand (participates in β ladder)trans-105.7120.9178.4-69.2-10.4000110.7T151 L152 Q153T151-D188 HydrophobicContact CG2-CB 3.87Å; L152-D188 WeakPolarHBondContact O-CA 3.49Å; Q153-D188 VanDerWaalsContact CB-OD1 3.25Å; Q153-D188 WeakPolarHBondContact CB-OD1 3.36Å; Q153-D188 VanDerWaalsContact CG-OD1 3.27Å; Q153-D188 WeakPolarHBondContact CG-OD1 3.46Å; Q153-D188 PolarHBondContact NE2-OD1 3.36Å
189F95.4Very high90.6Very high0 Ų060.2 Ų60.20%038%0.382CS..EExtended strand (participates in β ladder)trans-93.1133.1167.4-63.9-80.5000109.5T151 L152 C154 F166 L168 Q178 Q180 I187T151-F189 CarbonylContact C-O 3.54Å; T151-F189 WeakPolarHBondContact CA-O 3.34Å; L152-F189 HydrophobicContact CB-CB 4.41Å; L152-F189 PolarHBondContact N-O 2.93Å; L152-F189 PolarHBondContact O-N 2.95Å; C154-F189 HydrophobicContact CB-CD2 4.36Å; C154-F189 HydrophobicContact CB-CE2 4.02Å; F166-F189 HydrophobicContact CB-CE2 4.08Å; F166-F189 HydrophobicContact CB-CZ 3.66Å; L168-F189 HydrophobicContact CB-CB 4.46Å; L168-F189 HydrophobicContact CB-CD1 3.88Å; L168-F189 HydrophobicContact CB-CD2 4.07Å; L168-F189 HydrophobicContact CB-CE1 4.04Å; L168-F189 HydrophobicContact CB-CE2 4.22Å; L168-F189 HydrophobicContact CB-CG 3.87Å; L168-F189 HydrophobicContact CB-CZ 4.2Å; L168-F189 HydrophobicContact CD1-CD2 4.28Å; L168-F189 HydrophobicContact CD1-CG 4.47Å; L168-F189 HydrophobicContact CD2-CB 3.84Å; L168-F189 HydrophobicContact CD2-CG 4.19Å; L168-F189 HydrophobicContact CG-CG 4.4Å; Q178-F189 HydrophobicContact CB-CD1 3.71Å; Q178-F189 HydrophobicContact CB-CE1 3.97Å; Q180-F189 HydrophobicContact CB-CE1 4.03Å; Q180-F189 HydrophobicContact CG-CD1 4.22Å; Q180-F189 HydrophobicContact CG-CE1 3.86Å; I187-F189 HydrophobicContact CG2-CD2 4.39Å; I187-F189 HydrophobicContact CG2-CE2 3.76Å; I187-F189 HydrophobicContact CG2-CZ 4.12Å
190S94.9Very high90.6Very high45 Ų4557.2 Ų57.232%0.31537%0.372SS..EExtended strand (participates in β ladder)trans-116.6125.1178.6-67.80000110.9V150 T151 Q178V150-S190 CarbonylContact O-C 3.45Å; V150-S190 WeakPolarHBondContact O-CA 3.29Å; T151-S190 PolarHBondContact OG1-OG 2.87Å; Q178-S190 PolarHBondContact NE2-O 2.98Å
191L94.5Very high90.7Very high16 Ų1656.7 Ų56.78%0.08437%0.371CS..EExtended strand (participates in β ladder)trans-96.1116.6165.3-53176.9000106.8R149 V150 L168 I177 V194 Y202 I224R149-L191 CarbonylContact C-O 3.56Å; R149-L191 VanDerWaalsContact CA-O 3.31Å; R149-L191 WeakPolarHBondContact CA-O 3.46Å; V150-L191 HydrophobicContact CB-CB 4.31Å; V150-L191 PolarHBondContact N-O 2.81Å; V150-L191 PolarHBondContact O-N 3Å; L168-L191 HydrophobicContact CD2-CD2 4.29Å; I177-L191 HydrophobicContact CD1-CD2 4.39Å; L191-V194 HydrophobicContact CB-CG1 3.82Å; L191-Y202 HydrophobicContact CD1-CD1 4.46Å; L191-Y202 HydrophobicContact CD1-CE1 3.71Å; L191-I224 HydrophobicContact CD1-CD1 3.89Å
192V94Very high91.2Very high93 Ų9352.8 Ų52.856%0.56434%0.343SS*.EExtended strand (participates in β ladder)trans-109.5150.2-180-64.90000109.6R149 V194R149-V192 HydrophobicContact CG-CG1 4.17Å; V192-V194 VanDerWaalsContact C-N 3.32Å; V192-V194 PolarHBondContact O-N 3.35Å
193D93.3Very high92.1Very high126 Ų12651.9 Ų51.967%0.67434%0.338SS*.SBendtrans56.545.8177.9-119.5-9.7000112.2G147 G148G147-D193 WeakPolarHBondContact CA-OD1 3.46Å; G148-D193 PolarHBondContact O-N 2.83Å
194V93.8Very high93.6Very high2 Ų246.2 Ų46.21%0.01229%0.291CS..  trans-61.8143-170.2-62.10000112.7V144 T145 A146 G147 G148 V150 L191 V192 D198 V226V144-V194 HydrophobicContact CG1-CG2 3.79Å; T145-V194 WeakPolarHBondContact O-CG2 3.39Å; A146-V194 CarbonylContact C-O 3.58Å; A146-V194 WeakPolarHBondContact CA-O 3.45Å; G147-V194 PolarHBondContact N-O 2.91Å; G148-V194 PolarHBondContact O-N 2.9Å; V150-V194 HydrophobicContact CG2-CG1 4.12Å; L191-V194 HydrophobicContact CB-CG1 3.82Å; V192-V194 VanDerWaalsContact C-N 3.32Å; V192-V194 PolarHBondContact O-N 3.35Å; V194-D198 HydrophobicContact CB-CB 4.34Å; V194-V226 HydrophobicContact CG2-CG1 4.34Å; V194-V226 HydrophobicContact CG2-CG2 4.48Å
195T93.3Very high94.4Very high74 Ų7444.3 Ų44.345%0.45427%0.271SS..  trans-115.3170.4179.569.30000111.1G197 D198T195-G197 PolarHBondContact O-N 2.85Å; T195-G197 PolarHBondContact OG1-N 2.96Å; T195-D198 PolarHBondContact N-OD2 2.9Å; T195-D198 WeakPolarHBondContact O-CB 3.25Å; T195-D198 PolarHBondContact O-N 2.95Å; T195-D198 PolarHBondContact OG1-OD2 2.65Å
196A92.3Very high94.7Very high61 Ų6139.2 Ų39.250%0.50425%0.249SC..G310 helixtrans-57.4-29.2172.700000112.6D198 A199 V228A196-D198 PolarHBondContact O-N 2.84Å; A196-A199 WeakPolarHBondContact O-CB 3.48Å; A196-A199 PolarHBondContact O-N 2.84Å; A196-V228 HydrophobicContact CB-CG2 4.03Å
197G92.5Very high94.9Very high53 Ų5335.9 Ų35.955%0.54623%0.233SC..G310 helixtrans-69.2-17.5175.700000113.7K170 T195 A199K170-G197 PolarHBondContact NZ-O 2.6Å; T195-G197 PolarHBondContact O-N 2.85Å; T195-G197 PolarHBondContact OG1-N 2.96Å; G197-A199 VanDerWaalsContact C-N 3.31Å
198D94.1Very high94.9Very high45 Ų4535.7 Ų35.724%0.24123%0.232CC..G310 helixtrans-84.7-2.8177.2-61.3-58.2000113.4V194 T195 A196 Y202V194-D198 HydrophobicContact CB-CB 4.34Å; T195-D198 PolarHBondContact N-OD2 2.9Å; T195-D198 WeakPolarHBondContact O-CB 3.25Å; T195-D198 PolarHBondContact O-N 2.95Å; T195-D198 PolarHBondContact OG1-OD2 2.65Å; A196-D198 PolarHBondContact O-N 2.84Å; D198-Y202 WeakPolarHBondContact O-CE2 3.3Å; D198-Y202 PolarHBondContact O-OH 2.93Å
199A94.4Very high94.8Very high40 Ų4034.3 Ų34.333%0.33123%0.226SC..  trans-66.5150.4169.100000111.3A196 G197 I224 V226A196-A199 WeakPolarHBondContact O-CB 3.48Å; A196-A199 PolarHBondContact O-N 2.84Å; G197-A199 VanDerWaalsContact C-N 3.31Å; A199-I224 CarbonylContact C-O 3.47Å; A199-I224 VanDerWaalsContact CA-O 3.25Å; A199-I224 WeakPolarHBondContact CA-O 3.28Å; A199-V226 HydrophobicContact CB-CB 4.46Å; A199-V226 HydrophobicContact CB-CG2 4.3Å
200G95.1Very high94.6Very high24 Ų2441.5 Ų41.525%0.24726%0.257CS..EExtended strand (participates in β ladder)trans133.9-165.7174.100000113.8Y202 E223 I224G200-Y202 VanDerWaalsContact O-CD2 3.29Å; G200-Y202 WeakPolarHBondContact O-CD2 3.36Å; G200-E223 WeakPolarHBondContact O-CA 3.43Å; G200-I224 PolarHBondContact N-O 2.68Å; G200-I224 PolarHBondContact O-N 3.15Å
201N97Very high94.4Very high54 Ų5444 Ų4429%0.28928%0.275SS..EExtended strand (participates in β ladder)trans-94.2130.5-174-66.5-18.2000112.2A171 Q221 E223A171-N201 HydrophobicContact CB-CB 3.99Å; A171-N201 PolarHBondContact N-O 2.99Å; N201-Q221 HydrophobicContact CB-CB 4.31Å; N201-Q221 HydrophobicContact CB-CG 4.45Å; N201-Q221 PolarHBondContact ND2-OE1 2.96Å; N201-E223 WeakPolarHBondContact OD1-CB 3.28Å
202Y97.3Very high94.3Very high2 Ų245.8 Ų45.81%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-117.4144.3179.5-69.4-104.2000110.2L152 L168 L169 K170 I177 L191 D198 G200 Q221 L222 I224L152-Y202 HydrophobicContact CD1-CD1 4.15Å; L152-Y202 HydrophobicContact CD1-CG 4.32Å; L168-Y202 HydrophobicContact CD1-CD1 4.39Å; L168-Y202 HydrophobicContact CD2-CD1 4.18Å; L168-Y202 HydrophobicContact CG-CD1 4.29Å; L169-Y202 WeakPolarHBondContact O-CA 3.34Å; K170-Y202 HydrophobicContact CB-CD1 4.33Å; K170-Y202 HydrophobicContact CB-CE1 4.12Å; K170-Y202 HydrophobicContact CD-CE1 4.16Å; K170-Y202 HydrophobicContact CD-CE2 4.43Å; K170-Y202 WeakPolarHBondContact CD-OH 3.29Å; K170-Y202 WeakPolarHBondContact CE-OH 3.18Å; K170-Y202 HydrophobicContact CG-CE1 4.1Å; K170-Y202 HydrophobicContact CG-CE2 4.28Å; K170-Y202 PolarHBondContact NZ-OH 2.9Å; I177-Y202 HydrophobicContact CD1-CD1 3.96Å; I177-Y202 HydrophobicContact CD1-CE1 3.51Å; L191-Y202 HydrophobicContact CD1-CD1 4.46Å; L191-Y202 HydrophobicContact CD1-CE1 3.71Å; D198-Y202 WeakPolarHBondContact O-CE2 3.3Å; D198-Y202 PolarHBondContact O-OH 2.93Å; G200-Y202 VanDerWaalsContact O-CD2 3.29Å; G200-Y202 WeakPolarHBondContact O-CD2 3.36Å; Y202-Q221 CarbonylContact O-C 3.59Å; Y202-Q221 WeakPolarHBondContact O-CA 3.41Å; Y202-L222 PolarHBondContact N-O 2.79Å; Y202-L222 PolarHBondContact O-N 2.88Å; Y202-I224 HydrophobicContact CD1-CD1 4.36Å; Y202-I224 HydrophobicContact CD2-CB 4.18Å; Y202-I224 HydrophobicContact CD2-CD1 3.43Å; Y202-I224 VanDerWaalsContact CD2-CD1 3.43Å; Y202-I224 HydrophobicContact CD2-CG1 3.7Å; Y202-I224 HydrophobicContact CE1-CD1 4.43Å; Y202-I224 HydrophobicContact CE2-CB 4.08Å; Y202-I224 HydrophobicContact CE2-CD1 3.6Å; Y202-I224 HydrophobicContact CE2-CG1 4.01Å; Y202-I224 HydrophobicContact CG-CD1 3.87Å; Y202-I224 HydrophobicContact CG-CG1 4.45Å
203S97.7Very high94.3Very high14 Ų1442.4 Ų42.410%0.09827%0.265CS..EExtended strand (participates in β ladder)trans-139.4163.817060.90000109.2L169 S219L169-S203 PolarHBondContact N-O 2.88Å; L169-S203 PolarHBondContact O-N 2.85Å; S203-S219 WeakPolarHBondContact CA-OG 3.29Å
204C97.1Very high94.3Very high0 Ų040.8 Ų40.80%025%0.25CC..EExtended strand (participates in β ladder)trans-126.9155.4173.974.80000111.6P134 L136 C154 A167 P218 S219P134-C204 VanDerWaalsContact CG-O 3.24Å; P134-C204 WeakPolarHBondContact CG-O 3.1Å; L136-C204 HydrophobicContact CD1-CB 4.03Å; C154-C204 HydrophobicContact CB-CB 3.62Å; C154-C204 WeakPolarHBondContact CB-SG 3.22Å; C154-C204 WeakPolarHBondContact SG-CB 3.27Å; C154-C204 CovalentContact SG-SG 2.02Å; C154-C204 PolarHBondContact SG-SG 3.49Å; A167-C204 VanDerWaalsContact O-CA 3.3Å; A167-C204 WeakPolarHBondContact O-CA 3.41Å; C204-P218 CarbonylContact O-C 3.52Å; C204-S219 PolarHBondContact N-OG 3Å; C204-S219 PolarHBondContact O-N 2.87Å
205M96.3Very high94.4Very high0 Ų040.7 Ų40.70%025%0.249CC..EExtended strand (participates in β ladder)trans-143.6171.9174.567.3176.6-61.100110.1V46 L126 T128 F166 A167 L169 A215 S216V46-M205 HydrophobicContact CB-SD 4.3Å; V46-M205 HydrophobicContact CG1-CE 3.9Å; V46-M205 HydrophobicContact CG1-SD 3.34Å; V46-M205 WeakPolarHBondContact CG1-SD 3.36Å; V46-M205 HydrophobicContact CG2-SD 3.98Å; L126-M205 HydrophobicContact CD1-CE 4.07Å; T128-M205 HydrophobicContact CG2-CE 3.65Å; F166-M205 WeakPolarHBondContact CA-O 3.17Å; A167-M205 HydrophobicContact CB-CG 3.78Å; A167-M205 PolarHBondContact N-O 3.5Å; A167-M205 PolarHBondContact O-N 2.85Å; L169-M205 HydrophobicContact CD1-CG 4.1Å; L169-M205 HydrophobicContact CD1-SD 3.88Å; L169-M205 HydrophobicContact CD2-SD 4.28Å; L169-M205 HydrophobicContact CG-CG 4.4Å; L169-M205 HydrophobicContact CG-SD 4.48Å; M205-A215 HydrophobicContact CE-CB 3.68Å; M205-S216 WeakPolarHBondContact CE-O 3.5Å
206Y95.9Very high94.6Very high0 Ų037.2 Ų37.20%023%0.228CC..EExtended strand (participates in β ladder)trans-138.7155170.960.8-82.8000110.7L131 S132 P134 K156 D158 L160 I164 M165 F166 S216L131-Y206 HydrophobicContact CB-CE2 4.03Å; L131-Y206 HydrophobicContact CD1-CD2 4.06Å; L131-Y206 HydrophobicContact CD1-CE2 3.8Å; S132-Y206 VanDerWaalsContact O-CE1 3.29Å; S132-Y206 WeakPolarHBondContact O-CE1 3.28Å; S132-Y206 PolarHBondContact O-OH 3.48Å; P134-Y206 HydrophobicContact CB-CD1 3.92Å; P134-Y206 HydrophobicContact CB-CE1 3.86Å; P134-Y206 HydrophobicContact CG-CD1 3.97Å; P134-Y206 HydrophobicContact CG-CE1 4.13Å; K156-Y206 HydrophobicContact CB-CD1 3.8Å; K156-Y206 HydrophobicContact CB-CD2 4.5Å; K156-Y206 HydrophobicContact CB-CE1 3.52Å; K156-Y206 HydrophobicContact CB-CE2 4.26Å; K156-Y206 HydrophobicContact CB-CG 4.27Å; D158-Y206 PolarHBondContact OD2-OH 2.74Å; L160-Y206 HydrophobicContact CD1-CD2 4.03Å; L160-Y206 HydrophobicContact CD1-CE2 3.63Å; I164-Y206 HydrophobicContact CD1-CD2 4.41Å; M165-Y206 CarbonylContact O-C 3.51Å; M165-Y206 WeakPolarHBondContact O-CA 3.17Å; M165-Y206 WeakPolarHBondContact O-CB 3.45Å; F166-Y206 HydrophobicContact CE1-CD1 4.25Å; F166-Y206 HydrophobicContact CE1-CG 4.44Å; Y206-S216 VanDerWaalsContact CD1-OG 3.29Å; Y206-S216 WeakPolarHBondContact CD1-OG 3.22Å; Y206-S216 PolarHBondContact N-OG 2.94Å; Y206-S216 PolarHBondContact O-N 3.43Å; Y206-S216 PolarHBondContact O-OG 3.45Å
207Y95.3Very high94.7Very high15 Ų1539 Ų396%0.05923%0.226CC..EExtended strand (participates in β ladder)trans-151.3157.6-178.163.9-83.8000111.6L124 L126 I164 M165 A167 L179 W214L124-Y207 HydrophobicContact CD2-CD2 4.2Å; L124-Y207 HydrophobicContact CD2-CE2 3.47Å; L124-Y207 VanDerWaalsContact CD2-CE2 3.47Å; L126-Y207 HydrophobicContact CD1-CD1 3.53Å; L126-Y207 HydrophobicContact CD1-CD2 4.04Å; L126-Y207 HydrophobicContact CD1-CE1 3.89Å; L126-Y207 HydrophobicContact CD1-CE2 4.37Å; L126-Y207 HydrophobicContact CD1-CG 3.62Å; L126-Y207 HydrophobicContact CD2-CD2 3.76Å; L126-Y207 HydrophobicContact CD2-CE2 4.39Å; L126-Y207 HydrophobicContact CD2-CG 3.92Å; L126-Y207 HydrophobicContact CG-CG 4.45Å; I164-Y207 CarbonylContact C-O 3.55Å; I164-Y207 WeakPolarHBondContact CA-O 3.37Å; I164-Y207 WeakPolarHBondContact CB-O 3.17Å; M165-Y207 HydrophobicContact CB-CD1 4.33Å; M165-Y207 HydrophobicContact CB-CE1 3.69Å; M165-Y207 HydrophobicContact CB-CE2 4.05Å; M165-Y207 PolarHBondContact N-O 3.29Å; M165-Y207 PolarHBondContact O-N 3.3Å; A167-Y207 HydrophobicContact CB-CE1 4.26Å; L179-Y207 HydrophobicContact CD2-CE1 4.13Å; Y207-W214 CarbonylContact C-O 3.6Å; Y207-W214 WeakPolarHBondContact CA-O 3.38Å; Y207-W214 WeakPolarHBondContact CB-O 3.07Å
208Q93.8Very high94.9Very high16 Ų1638.6 Ų38.68%0.07521%0.214CC..EExtended strand (participates in β ladder)trans-73134.7174.1-62.3-17723.300110.7V162 K210 F213 W214V162-Q208 HydrophobicContact CG2-CG 3.85Å; Q208-K210 PolarHBondContact O-N 2.88Å; Q208-F213 WeakPolarHBondContact O-CD1 3.17Å; Q208-W214 HydrophobicContact CG-CB 4.35Å; Q208-W214 PolarHBondContact N-O 3.18Å
209T92.1Very high95.1Very high41 Ų4136.8 Ų36.825%0.25221%0.205SC..SBendtrans-82-1.3-179.863.70000113.9P163 M165P163-T209 PolarHBondContact O-N 3.25Å; M165-T209 HydrophobicContact CB-CG2 4Å; M165-T209 HydrophobicContact CG-CG2 3.22Å
210K91.6Very high95.2Very high150 Ų15039.5 Ų39.565%0.65221%0.213SC*.SBendtrans-127.5157.1179.2-63.2-63.1179.6-171.80109.1Q208 F213Q208-K210 PolarHBondContact O-N 2.88Å; K210-F213 WeakPolarHBondContact O-CA 3.38Å; K210-F213 PolarHBondContact O-N 2.87Å
211S90.3Very high95.2Very high99 Ų9944.6 Ų44.669%0.69223%0.231SC*.THydrogen-bonded Turntrans-49.3131.4172.5-173.60000109.8
212P92.5Very high95.2Very high53 Ų5343.5 Ų43.534%0.34423%0.225SC..THydrogen-bonded Turncis-91.415.116.235.4-37.7000116.4W214P212-W214 VanDerWaalsContact C-N 3.3Å; P212-W214 HydrophobicContact CG-CD2 3.78Å; P212-W214 HydrophobicContact CG-CG 3.91Å; P212-W214 HydrophobicContact CG-CZ2 3.79Å; P212-W214 PolarHBondContact O-N 2.89Å
213F94.7Very high95.1Very high22 Ų2249.5 Ų49.510%0.09625%0.253CS..  trans57.737.2178.6-55-82.5000114A100 E102 L124 L126 Q208 K210 A215A100-F213 HydrophobicContact CB-CB 4.15Å; E102-F213 HydrophobicContact CG-CE1 4.43Å; E102-F213 HydrophobicContact CG-CZ 4.05Å; L124-F213 HydrophobicContact CD1-CD1 3.86Å; L124-F213 HydrophobicContact CD1-CE1 4.04Å; L124-F213 HydrophobicContact CD1-CG 4.33Å; L126-F213 HydrophobicContact CD2-CB 4.43Å; Q208-F213 WeakPolarHBondContact O-CD1 3.17Å; K210-F213 WeakPolarHBondContact O-CA 3.38Å; K210-F213 PolarHBondContact O-N 2.87Å; F213-A215 PolarHBondContact O-N 2.86Å
214W94Very high94.9Very high92 Ų9249.3 Ų49.335%0.34825%0.25SS..  trans-57.8135.1176.6-66.2-20.3000111.2V97 H130 L131 Y207 Q208 P212V97-W214 VanDerWaalsContact CG1-CD1 3.46Å; H130-W214 HydrophobicContact CB-CB 4.25Å; H130-W214 HydrophobicContact CB-CG 4.29Å; H130-W214 AromaticContact CD2-CD1 3.65Å; H130-W214 AromaticContact CD2-CD2 3.08Å; H130-W214 AromaticContact CD2-CE2 3.55Å; H130-W214 AromaticContact CD2-CE3 3.41Å; H130-W214 VanDerWaalsContact CD2-CE3 3.41Å; H130-W214 AromaticContact CD2-CG 3.21Å; H130-W214 AromaticContact CD2-NE1 3.79Å; H130-W214 AromaticContact CE1-CE2 3.89Å; H130-W214 AromaticContact CG-CD1 3.86Å; H130-W214 AromaticContact CG-CG 3.8Å; H130-W214 AromaticContact NE2-CD2 3.22Å; H130-W214 AromaticContact NE2-CE2 3.23Å; H130-W214 AromaticContact NE2-CE3 3.41Å; H130-W214 AromaticContact NE2-CG 3.83Å; H130-W214 AromaticContact NE2-CH2 3.76Å; H130-W214 AromaticContact NE2-CZ2 3.53Å; H130-W214 AromaticContact NE2-CZ3 3.69Å; H130-W214 AromaticContact NE2-NE1 3.72Å; L131-W214 HydrophobicContact CD1-CB 4.13Å; L131-W214 WeakPolarHBondContact CD1-O 3.46Å; L131-W214 HydrophobicContact CD2-CB 4.27Å; L131-W214 HydrophobicContact CD2-CE3 4.43Å; L131-W214 HydrophobicContact CG-CB 4.08Å; Y207-W214 CarbonylContact C-O 3.6Å; Y207-W214 WeakPolarHBondContact CA-O 3.38Å; Y207-W214 WeakPolarHBondContact CB-O 3.07Å; Q208-W214 HydrophobicContact CG-CB 4.35Å; Q208-W214 PolarHBondContact N-O 3.18Å; P212-W214 VanDerWaalsContact C-N 3.3Å; P212-W214 HydrophobicContact CG-CD2 3.78Å; P212-W214 HydrophobicContact CG-CG 3.91Å; P212-W214 HydrophobicContact CG-CZ2 3.79Å; P212-W214 PolarHBondContact O-N 2.89Å
215A95.9Very high94.8Very high0 Ų053 Ų530%027%0.27CS..EExtended strand (participates in β ladder)trans-125.8143.8-175.800000110.7L126 T128 G129 H130 L131 M205 F213L126-A215 HydrophobicContact CB-CB 4.28Å; L126-A215 HydrophobicContact CD2-CB 4.48Å; T128-A215 HydrophobicContact CG2-CB 4.36Å; G129-A215 PolarHBondContact N-O 2.82Å; H130-A215 PolarHBondContact N-O 2.59Å; L131-A215 PolarHBondContact N-O 2.64Å; M205-A215 HydrophobicContact CE-CB 3.68Å; F213-A215 PolarHBondContact O-N 2.86Å
216S95.9Very high94.6Very high0 Ų054.2 Ų54.20%028%0.277CS..EExtended strand (participates in β ladder)trans-73.3159.9170.262.50000111.5T128 L131 S132 M205 Y206T128-S216 VanDerWaalsContact CB-O 3.28Å; T128-S216 WeakPolarHBondContact CB-O 3.21Å; T128-S216 VanDerWaalsContact CG2-O 3.3Å; T128-S216 WeakPolarHBondContact CG2-O 3.35Å; L131-S216 WeakPolarHBondContact O-CA 3.5Å; S132-S216 WeakPolarHBondContact O-CB 3.15Å; M205-S216 WeakPolarHBondContact CE-O 3.5Å; Y206-S216 VanDerWaalsContact CD1-OG 3.29Å; Y206-S216 WeakPolarHBondContact CD1-OG 3.22Å; Y206-S216 PolarHBondContact N-OG 2.94Å; Y206-S216 PolarHBondContact O-N 3.43Å; Y206-S216 PolarHBondContact O-OG 3.45Å
217E95.4Very high94.5Very high99 Ų9957.4 Ų57.446%0.46330%0.297SS..PPolyproline II helixtrans-64.6149.3159.6-60.7-174.8119.600110.2K133 P134K133-E217 HydrophobicContact CB-CB 4.11Å; P134-E217 WeakPolarHBondContact CD-O 3.33Å
218P96.8Very high94.1Very high45 Ų4559.9 Ų59.929%0.29231%0.314SS..PPolyproline II helixtrans-55.6147.3170-23.934.7000111.8L169 C204L169-P218 HydrophobicContact CD1-CB 4.21Å; L169-P218 HydrophobicContact CD1-CG 4.06Å; C204-P218 CarbonylContact O-C 3.52Å
219S97.8Very high93.4Very high7 Ų761.9 Ų61.95%0.04933%0.328CS..PPolyproline II helixtrans-59.2169.5168.770.70000111.3P134 L136 S203 C204P134-S219 WeakPolarHBondContact O-CB 3.38Å; L136-S219 WeakPolarHBondContact CB-OG 3.32Å; S203-S219 WeakPolarHBondContact CA-OG 3.29Å; C204-S219 PolarHBondContact N-OG 3Å; C204-S219 PolarHBondContact O-N 2.87Å
220D96.9Very high92.1Very high97 Ų9766.6 Ų66.652%0.51936%0.359SS..PPolyproline II helixtrans-57.6148.6164.2-57.2-37.2000109.9K133K133-D220 IonicContact NZ-OD1 3.68Å; K133-D220 PolarHBondContact NZ-OD1 2.9Å; K133-D220 IonicContact NZ-OD2 2.69Å; K133-D220 PolarHBondContact NZ-OD2 2.96Å
221Q96Very high90.6Very high131 Ų13162 Ų6261%0.61236%0.355SS*.PPolyproline II helixtrans-74.5141.2-176.7-70.4177.763.600110.8N201 Y202N201-Q221 HydrophobicContact CB-CB 4.31Å; N201-Q221 HydrophobicContact CB-CG 4.45Å; N201-Q221 PolarHBondContact ND2-OE1 2.96Å; Y202-Q221 CarbonylContact O-C 3.59Å; Y202-Q221 WeakPolarHBondContact O-CA 3.41Å
222L95.6Very high88.9Confident31 Ų3162 Ų6216%0.16235%0.35CS..EExtended strand (participates in β ladder)trans-121.8117.7175.5-171.6148.5000108.7L136 T138 L152 Y202 I224L136-L222 HydrophobicContact CD2-CB 3.98Å; L136-L222 HydrophobicContact CG-CB 4.49Å; L136-L222 HydrophobicContact CG-CD1 4.42Å; T138-L222 HydrophobicContact CG2-CD1 3.95Å; T138-L222 HydrophobicContact CG2-CD2 4.08Å; L152-L222 HydrophobicContact CD2-CD2 3.96Å; Y202-L222 PolarHBondContact N-O 2.79Å; Y202-L222 PolarHBondContact O-N 2.88Å; L222-I224 HydrophobicContact CD2-CG1 4.01Å
223E95.4Very high86.9Confident127 Ų12764.3 Ų64.359%0.59336%0.364SS*.EExtended strand (participates in β ladder)trans-81.5131179.7-172.1175.4-148.300110.8G200 N201 L225G200-E223 WeakPolarHBondContact O-CA 3.43Å; N201-E223 WeakPolarHBondContact OD1-CB 3.28Å; E223-L225 HydrophobicContact CG-CD2 4.02Å; E223-L225 HydrophobicContact CG-CG 4.44Å
224I94.5Very high84.8Confident10 Ų1066 Ų665%0.05138%0.378CS..EExtended strand (participates in β ladder)trans-108.8125.4172.2-58179.2000108.2V150 L152 L191 A199 G200 Y202 L222 V226V150-I224 HydrophobicContact CG1-CD1 3.97Å; V150-I224 HydrophobicContact CG2-CG2 4.28Å; L152-I224 HydrophobicContact CD1-CD1 4Å; L152-I224 HydrophobicContact CD2-CD1 4.13Å; L152-I224 HydrophobicContact CG-CD1 4.47Å; L191-I224 HydrophobicContact CD1-CD1 3.89Å; A199-I224 CarbonylContact C-O 3.47Å; A199-I224 VanDerWaalsContact CA-O 3.25Å; A199-I224 WeakPolarHBondContact CA-O 3.28Å; G200-I224 PolarHBondContact N-O 2.68Å; G200-I224 PolarHBondContact O-N 3.15Å; Y202-I224 HydrophobicContact CD1-CD1 4.36Å; Y202-I224 HydrophobicContact CD2-CB 4.18Å; Y202-I224 HydrophobicContact CD2-CD1 3.43Å; Y202-I224 VanDerWaalsContact CD2-CD1 3.43Å; Y202-I224 HydrophobicContact CD2-CG1 3.7Å; Y202-I224 HydrophobicContact CE1-CD1 4.43Å; Y202-I224 HydrophobicContact CE2-CB 4.08Å; Y202-I224 HydrophobicContact CE2-CD1 3.6Å; Y202-I224 HydrophobicContact CE2-CG1 4.01Å; Y202-I224 HydrophobicContact CG-CD1 3.87Å; Y202-I224 HydrophobicContact CG-CG1 4.45Å; L222-I224 HydrophobicContact CD2-CG1 4.01Å; I224-V226 HydrophobicContact CG2-CG2 4.33Å
225L93.8Very high82.8Confident79 Ų7965.8 Ų65.841%0.41439%0.391SS..  trans-106.6133.9176-58.6175.5000109.4T143 V144 E223T143-L225 HydrophobicContact CG2-CB 3.8Å; T143-L225 WeakPolarHBondContact CG2-O 3.24Å; V144-L225 PolarHBondContact N-O 3.37Å; E223-L225 HydrophobicContact CG-CD2 4.02Å; E223-L225 HydrophobicContact CG-CG 4.44Å
226V93.1Very high80.8Confident25 Ų2572.4 Ų72.415%0.15243%0.426CS..EExtended strand (participates in β ladder)trans-119.5130.1178.7-174.80000110.6V144 A146 V194 A199 I224V144-V226 CarbonylContact O-C 3.59Å; V144-V226 VanDerWaalsContact O-CA 3.23Å; V144-V226 WeakPolarHBondContact O-CA 3.15Å; A146-V226 HydrophobicContact CB-CG1 4.26Å; V194-V226 HydrophobicContact CG2-CG1 4.34Å; V194-V226 HydrophobicContact CG2-CG2 4.48Å; A199-V226 HydrophobicContact CB-CB 4.46Å; A199-V226 HydrophobicContact CB-CG2 4.3Å; I224-V226 HydrophobicContact CG2-CG2 4.33Å
227T92.4Very high79Confident66 Ų6679.3 Ų79.341%0.40545%0.453SS..EExtended strand (participates in β ladder)trans-105.1136.1173.444.70000110.6T143 V144 T145 A146T143-T227 HydrophobicContact CG2-CG2 3.3Å; V144-T227 PolarHBondContact O-N 2.97Å; V144-T227 PolarHBondContact O-OG1 3.25Å; T145-T227 CarbonylContact C-O 3.51Å; T145-T227 WeakPolarHBondContact CA-O 3.25Å; A146-T227 PolarHBondContact N-O 2.61Å
228V87.5Confident77.3Confident68 Ų6876.1 Ų76.141%0.41244%0.442SS..  trans-99.6118.6175.3-176.90000108.4A146 A196 T232 T233A146-V228 HydrophobicContact CB-CG2 4.28Å; A196-V228 HydrophobicContact CB-CG2 4.03Å; V228-T232 WeakPolarHBondContact CG1-OG1 3.18Å; V228-T233 HydrophobicContact CG1-CG2 4.42Å
229P78.7Confident75.6Confident57 Ų5779.4 Ų79.437%0.3746%0.457SS..  trans-60.2137.3174.9-22.132.5000111.1G231 T232P229-G231 PolarHBondContact O-N 3.17Å; P229-T232 PolarHBondContact O-OG1 3.19Å
230P64.5Low74.1Confident140 Ų14080.7 Ų80.791%0.90947%0.47SS*.THydrogen-bonded Turntrans-65.5104.3175.825.5-31.3000109.4
231G60.1Low72.9Confident55 Ų5580.1 Ų80.157%0.56747%0.467SS*.THydrogen-bonded Turntrans154.6-21.8178.800000115.2P229P229-G231 PolarHBondContact O-N 3.17Å
232T54.5Low71.9Confident97 Ų9780.8 Ų80.860%0.59547%0.469SS*.THydrogen-bonded Turntrans-91.1-10.9-176.147.40000114.6V228 P229V228-T232 WeakPolarHBondContact CG1-OG1 3.18Å; P229-T232 PolarHBondContact O-OG1 3.19Å
233T50.5Low71.2Confident103 Ų10383.4 Ų83.463%0.63249%0.485SS*.THydrogen-bonded Turntrans-86.7-5.7177.951.80000113.7V228V228-T233 HydrophobicContact CG1-CG2 4.42Å
234S51.7Low70.5Confident56 Ų5686.2 Ų86.239%0.39249%0.491SS..Hα-helixtrans-82.6-20.8-168.784.80000116.4Y237 S238S234-Y237 WeakPolarHBondContact O-CD1 3.43Å; S234-Y237 WeakPolarHBondContact O-CE1 3.38Å; S234-S238 WeakPolarHBondContact O-CB 2.97Å; S234-S238 PolarHBondContact O-OG 2.95Å
235S52Low70Confident89 Ų8991.6 Ų91.662%0.62252%0.519SS*.Hα-helixtrans-76.7-38.5-171.4-154.50000112.8L239S235-L239 PolarHBondContact O-N 3.22Å
236N53.9Low69.7Low139 Ų13989.5 Ų89.574%0.74352%0.517SS*.Hα-helixtrans-76.3-35.9-174.8-74.9-36.6000113.9S238 G240N236-S238 VanDerWaalsContact C-N 3.33Å; N236-G240 PolarHBondContact O-N 2.94Å
237Y58.4Low69.5Low145 Ų14593.6 Ų93.657%0.56954%0.537SS*.Hα-helixtrans-70.1-35.2175.983.8-106.9000111.4S234 N241S234-Y237 WeakPolarHBondContact O-CD1 3.43Å; S234-Y237 WeakPolarHBondContact O-CE1 3.38Å; Y237-N241 WeakPolarHBondContact O-CB 3.24Å; Y237-N241 PolarHBondContact O-N 3.39Å; Y237-N241 VanDerWaalsContact O-N 3.13Å
238S58.8Low69.3Low31 Ų3192.9 Ų92.922%0.21754%0.538CS..Hα-helixtrans-68.8-46.8-176.7-60.10000110.8S234 N236 G240 N241 F242S234-S238 WeakPolarHBondContact O-CB 2.97Å; S234-S238 PolarHBondContact O-OG 2.95Å; N236-S238 VanDerWaalsContact C-N 3.33Å; S238-G240 PolarHBondContact O-N 2.88Å; S238-N241 PolarHBondContact O-N 2.78Å; S238-F242 WeakPolarHBondContact O-CD2 3.24Å; S238-F242 PolarHBondContact O-N 2.88Å
239L62.6Low69.5Low115 Ų11592.3 Ų92.360%0.60254%0.54SS*.Hα-helixtrans-64-41.6179.8-168.567.6000112.3S235 N241 F242 V243S235-L239 PolarHBondContact O-N 3.22Å; L239-N241 VanDerWaalsContact C-N 3.34Å; L239-N241 PolarHBondContact O-N 2.73Å; L239-F242 PolarHBondContact O-N 3.28Å; L239-V243 WeakPolarHBondContact O-CG2 3.4Å; L239-V243 PolarHBondContact O-N 3.38Å
240G65.6Low70.2Confident33 Ų3393.8 Ų93.834%0.3455%0.548SS..Hα-helixtrans-63-38.3176.200000112.9N236 S238 R244N236-G240 PolarHBondContact O-N 2.94Å; S238-G240 PolarHBondContact O-N 2.88Å; G240-R244 WeakPolarHBondContact O-CB 3.48Å; G240-R244 VanDerWaalsContact O-CG 3.28Å; G240-R244 WeakPolarHBondContact O-CG 3.49Å; G240-R244 PolarHBondContact O-N 3.23Å
241N70.8Confident71.5Confident85 Ų8591.7 Ų91.746%0.45553%0.528SS..Hα-helixtrans-69.3-38.5175.2-79.8-4.7000112.5Y237 S238 L239 R244 L245Y237-N241 WeakPolarHBondContact O-CB 3.24Å; Y237-N241 PolarHBondContact O-N 3.39Å; Y237-N241 VanDerWaalsContact O-N 3.13Å; S238-N241 PolarHBondContact O-N 2.78Å; L239-N241 VanDerWaalsContact C-N 3.34Å; L239-N241 PolarHBondContact O-N 2.73Å; N241-R244 PolarHBondContact O-N 2.81Å; N241-L245 WeakPolarHBondContact O-CB 3.24Å; N241-L245 WeakPolarHBondContact O-CD1 3.19Å; N241-L245 PolarHBondContact O-N 2.91Å
242F76.1Confident73.1Confident146 Ų14694 Ų9464%0.6453%0.531SS*.Hα-helixtrans-65.1-40.3175.1-73.1-61.3000112.4S238 L239 L245 G246S238-F242 WeakPolarHBondContact O-CD2 3.24Å; S238-F242 PolarHBondContact O-N 2.88Å; L239-F242 PolarHBondContact O-N 3.28Å; F242-L245 PolarHBondContact O-N 3.19Å; F242-G246 PolarHBondContact O-N 3.24Å
243V80.1Confident75Confident85 Ų8594.3 Ų94.352%0.51553%0.533SS..Hα-helixtrans-64.4-41.8174.7174.30000110.9L239 G246 L247L239-V243 WeakPolarHBondContact O-CG2 3.4Å; L239-V243 PolarHBondContact O-N 3.38Å; V243-G246 PolarHBondContact O-N 3.02Å; V243-L247 HydrophobicContact CG1-CD1 4.07Å; V243-L247 PolarHBondContact O-N 2.81Å
244R80.3Confident77Confident186 Ų18693.5 Ų93.570%0.70252%0.524SS*.Hα-helixtrans-65.9-43.2176.5-74.3177.4-178.6-1611.2112.7G240 N241 G246 L247 A248G240-R244 WeakPolarHBondContact O-CB 3.48Å; G240-R244 VanDerWaalsContact O-CG 3.28Å; G240-R244 WeakPolarHBondContact O-CG 3.49Å; G240-R244 PolarHBondContact O-N 3.23Å; N241-R244 PolarHBondContact O-N 2.81Å; R244-G246 VanDerWaalsContact C-N 3.34Å; R244-L247 PolarHBondContact O-N 2.9Å; R244-A248 WeakPolarHBondContact O-CB 3.37Å; R244-A248 PolarHBondContact O-N 2.97Å
245L85.3Confident79Confident123 Ų12396.1 Ų96.164%0.64453%0.531SS*.Hα-helixtrans-63.4-41.5174-105.287.8000111.3N241 F242 A248 A249N241-L245 WeakPolarHBondContact O-CB 3.24Å; N241-L245 WeakPolarHBondContact O-CD1 3.19Å; N241-L245 PolarHBondContact O-N 2.91Å; F242-L245 PolarHBondContact O-N 3.19Å; L245-A248 PolarHBondContact O-N 2.02Å; L245-A249 WeakPolarHBondContact O-CB 3.48Å; L245-A249 PolarHBondContact O-N 2.81Å
246G86.3Confident80.9Confident36 Ų3693.4 Ų93.437%0.37152%0.517SS..Hα-helixtrans-59.4-47.9175.900000111.9F242 V243 R244 A249 V250F242-G246 PolarHBondContact O-N 3.24Å; V243-G246 PolarHBondContact O-N 3.02Å; R244-G246 VanDerWaalsContact C-N 3.34Å; G246-A249 PolarHBondContact O-N 3.41Å; G246-V250 VanDerWaalsContact O-CG2 3.31Å; G246-V250 WeakPolarHBondContact O-CG2 3.36Å; G246-V250 PolarHBondContact O-N 3Å
247L88.7Confident82.7Confident110 Ų11089.2 Ų89.258%0.57650%0.501SS*.Hα-helixtrans-61.4-43.8175.2-106.3126.1000112.4V243 R244 V250 I251V243-L247 HydrophobicContact CG1-CD1 4.07Å; V243-L247 PolarHBondContact O-N 2.81Å; R244-L247 PolarHBondContact O-N 2.9Å; L247-V250 PolarHBondContact O-N 2.92Å; L247-I251 VanDerWaalsContact O-CG1 3.29Å; L247-I251 WeakPolarHBondContact O-CG1 3.49Å; L247-I251 PolarHBondContact O-N 2.91Å
248A88.4Confident84.2Confident52 Ų5288.3 Ų88.343%0.4350%0.501SS..Hα-helixtrans-62.5-43.5178.100000111.8R244 L245 V250 I251 V252R244-A248 WeakPolarHBondContact O-CB 3.37Å; R244-A248 PolarHBondContact O-N 2.97Å; L245-A248 PolarHBondContact O-N 2.02Å; A248-V250 PolarHBondContact O-N 2.95Å; A248-I251 PolarHBondContact O-N 2.81Å; A248-V252 WeakPolarHBondContact O-CG2 3.28Å; A248-V252 PolarHBondContact O-N 3.41Å
249A91.6Very high85.7Confident55 Ų5592.5 Ų92.546%0.45552%0.52SS..Hα-helixtrans-62.7-42.7177.200000112L245 G246 I251 V252 V253L245-A249 WeakPolarHBondContact O-CB 3.48Å; L245-A249 PolarHBondContact O-N 2.81Å; G246-A249 PolarHBondContact O-N 3.41Å; A249-I251 VanDerWaalsContact C-N 3.34Å; A249-I251 PolarHBondContact O-N 3.37Å; A249-V252 PolarHBondContact O-N 2.81Å; A249-V253 WeakPolarHBondContact O-CG2 3.43Å; A249-V253 PolarHBondContact O-N 3.34Å
250V93.6Very high87Confident88 Ų8891.5 Ų91.553%0.53352%0.519SS..Hα-helixtrans-60.7-43.6176.4170.70000111.2G246 L247 A248 V252 V253 I254G246-V250 VanDerWaalsContact O-CG2 3.31Å; G246-V250 WeakPolarHBondContact O-CG2 3.36Å; G246-V250 PolarHBondContact O-N 3Å; L247-V250 PolarHBondContact O-N 2.92Å; A248-V250 PolarHBondContact O-N 2.95Å; V250-V252 VanDerWaalsContact C-N 3.35Å; V250-V252 PolarHBondContact O-N 2.79Å; V250-V253 PolarHBondContact O-N 3.17Å; V250-I254 HydrophobicContact CG1-CD1 3.75Å; V250-I254 HydrophobicContact CG1-CG1 4.47Å; V250-I254 VanDerWaalsContact O-CG1 3.27Å; V250-I254 WeakPolarHBondContact O-CG1 3.47Å; V250-I254 PolarHBondContact O-N 3.3Å
251I92.9Very high87.8Confident96 Ų9695.9 Ų95.949%0.49253%0.53SS..Hα-helixtrans-61.8-43.5177.5-67.5164.5000110.9L247 A248 A249 V253 I254 M255L247-I251 VanDerWaalsContact O-CG1 3.29Å; L247-I251 WeakPolarHBondContact O-CG1 3.49Å; L247-I251 PolarHBondContact O-N 2.91Å; A248-I251 PolarHBondContact O-N 2.81Å; A249-I251 VanDerWaalsContact C-N 3.34Å; A249-I251 PolarHBondContact O-N 3.37Å; I251-V253 PolarHBondContact O-N 2.87Å; I251-I254 PolarHBondContact O-N 3.34Å; I251-M255 HydrophobicContact CG2-CG 4.39Å; I251-M255 WeakPolarHBondContact O-CB 3.44Å; I251-M255 VanDerWaalsContact O-CG 3.31Å; I251-M255 WeakPolarHBondContact O-CG 3.46Å; I251-M255 PolarHBondContact O-N 3.07Å
252V93.8Very high88.4Confident103 Ų10394.6 Ų94.662%0.62453%0.532SS*.Hα-helixtrans-63.7-40.7178.6173.30000111.5A248 A249 V250 M255 G256A248-V252 WeakPolarHBondContact O-CG2 3.28Å; A248-V252 PolarHBondContact O-N 3.41Å; A249-V252 PolarHBondContact O-N 2.81Å; V250-V252 VanDerWaalsContact C-N 3.35Å; V250-V252 PolarHBondContact O-N 2.79Å; V252-M255 PolarHBondContact O-N 3.37Å; V252-G256 PolarHBondContact O-N 3.41Å
253V93.6Very high88.8Confident105 Ų10595.6 Ų95.664%0.63653%0.531SS*.Hα-helixtrans-63.5-43.9176.4171.90000111.2A249 V250 I251 G256 A257A249-V253 WeakPolarHBondContact O-CG2 3.43Å; A249-V253 PolarHBondContact O-N 3.34Å; V250-V253 PolarHBondContact O-N 3.17Å; I251-V253 PolarHBondContact O-N 2.87Å; V253-G256 PolarHBondContact O-N 3.2Å; V253-A257 PolarHBondContact O-N 2.66Å
254I93.1Very high88.9Confident86 Ų8698.5 Ų98.544%0.44153%0.534SS..Hα-helixtrans-62-46.5177-68.2166.1000110.6V250 I251 G256 A257 F258V250-I254 HydrophobicContact CG1-CD1 3.75Å; V250-I254 HydrophobicContact CG1-CG1 4.47Å; V250-I254 VanDerWaalsContact O-CG1 3.27Å; V250-I254 WeakPolarHBondContact O-CG1 3.47Å; V250-I254 PolarHBondContact O-N 3.3Å; I251-I254 PolarHBondContact O-N 3.34Å; I254-G256 VanDerWaalsContact C-N 3.32Å; I254-G256 PolarHBondContact O-N 2.84Å; I254-A257 PolarHBondContact O-N 3.01Å; I254-F258 HydrophobicContact CG2-CD2 3.75Å; I254-F258 HydrophobicContact CG2-CE2 3.4Å; I254-F258 HydrophobicContact CG2-CZ 4.49Å; I254-F258 WeakPolarHBondContact O-CD2 3.3Å; I254-F258 PolarHBondContact O-N 3.1Å
255M92.5Very high88.8Confident111 Ų11193.6 Ų93.655%0.54753%0.528SS..Hα-helixtrans-61.1-41.2176.6-73-64.9-64.400112I251 V252 F258 L259I251-M255 HydrophobicContact CG2-CG 4.39Å; I251-M255 WeakPolarHBondContact O-CB 3.44Å; I251-M255 VanDerWaalsContact O-CG 3.31Å; I251-M255 WeakPolarHBondContact O-CG 3.46Å; I251-M255 PolarHBondContact O-N 3.07Å; V252-M255 PolarHBondContact O-N 3.37Å; M255-F258 PolarHBondContact O-N 2.82Å; M255-L259 WeakPolarHBondContact O-CG 3.45Å; M255-L259 PolarHBondContact O-N 2.81Å
256G92.3Very high88.1Confident31 Ų3198 Ų9832%0.3254%0.536SS..Hα-helixtrans-61.3-43.8174.900000112.5V252 V253 I254 F258 L259 V260V252-G256 PolarHBondContact O-N 3.41Å; V253-G256 PolarHBondContact O-N 3.2Å; I254-G256 VanDerWaalsContact C-N 3.32Å; I254-G256 PolarHBondContact O-N 2.84Å; G256-F258 PolarHBondContact O-N 3.43Å; G256-L259 PolarHBondContact O-N 2.65Å; G256-V260 WeakPolarHBondContact O-CG2 3.26Å; G256-V260 PolarHBondContact O-N 2.94Å
257A91.5Very high87.2Confident51 Ų51100.7 Ų100.742%0.42154%0.542SS..Hα-helixtrans-60.3-44.8176.500000111.8V253 I254 L259 V260 E261V253-A257 PolarHBondContact O-N 2.66Å; I254-A257 PolarHBondContact O-N 3.01Å; A257-L259 VanDerWaalsContact C-N 3.33Å; A257-L259 PolarHBondContact O-N 3.09Å; A257-V260 PolarHBondContact O-N 3.22Å; A257-E261 PolarHBondContact O-N 3Å
258F90.4Very high85.7Confident126 Ų12699.1 Ų99.155%0.55354%0.537SS*.Hα-helixtrans-61.9-38.7175.6-76.9-60.2000113I254 M255 G256 A262I254-F258 HydrophobicContact CG2-CD2 3.75Å; I254-F258 HydrophobicContact CG2-CE2 3.4Å; I254-F258 HydrophobicContact CG2-CZ 4.49Å; I254-F258 WeakPolarHBondContact O-CD2 3.3Å; I254-F258 PolarHBondContact O-N 3.1Å; M255-F258 PolarHBondContact O-N 2.82Å; G256-F258 PolarHBondContact O-N 3.43Å; F258-A262 VanDerWaalsContact O-CB 3.28Å; F258-A262 WeakPolarHBondContact O-CB 3.28Å; F258-A262 PolarHBondContact O-N 2.82Å
259L89.4Confident84.3Confident119 Ų119101.3 Ų101.362%0.62355%0.549SS*.Hα-helixtrans-67.4-37.8176.4-70.5173.4000112.1M255 G256 A257 A262 W263M255-L259 WeakPolarHBondContact O-CG 3.45Å; M255-L259 PolarHBondContact O-N 2.81Å; G256-L259 PolarHBondContact O-N 2.65Å; A257-L259 VanDerWaalsContact C-N 3.33Å; A257-L259 PolarHBondContact O-N 3.09Å; L259-A262 PolarHBondContact O-N 3.07Å; L259-W263 VanDerWaalsContact O-CB 3.31Å; L259-W263 WeakPolarHBondContact O-CB 3.49Å; L259-W263 PolarHBondContact O-N 2.89Å
260V90.3Very high82.2Confident95 Ų95104.5 Ų104.558%0.57657%0.565SS**Hα-helixtrans-66.8-45175.51720000110.8G256 A257 A262 W263 Y264G256-V260 WeakPolarHBondContact O-CG2 3.26Å; G256-V260 PolarHBondContact O-N 2.94Å; A257-V260 PolarHBondContact O-N 3.22Å; V260-A262 VanDerWaalsContact C-N 3.33Å; V260-A262 PolarHBondContact O-N 3.25Å; V260-W263 PolarHBondContact O-N 2.79Å; V260-Y264 WeakPolarHBondContact O-CB 3.3Å; V260-Y264 PolarHBondContact O-N 3.11Å
261E82.4Confident79.9Confident124 Ų124104 Ų10458%0.57958%0.578SS**Hα-helixtrans-60.8-42.9174.9-76.4-172.2172.200111.8A257 Y264 S265A257-E261 PolarHBondContact O-N 3Å; E261-Y264 PolarHBondContact O-N 2.94Å; E261-S265 WeakPolarHBondContact O-CB 3.44Å; E261-S265 PolarHBondContact O-N 3.23Å; E261-S265 PolarHBondContact O-OG 2.82Å
262A83.8Confident77.7Confident59 Ų59107.8 Ų107.849%0.48859%0.593SS.*Hα-helixtrans-64-40.7176.700000112.1F258 L259 V260 R266F258-A262 VanDerWaalsContact O-CB 3.28Å; F258-A262 WeakPolarHBondContact O-CB 3.28Å; F258-A262 PolarHBondContact O-N 2.82Å; L259-A262 PolarHBondContact O-N 3.07Å; V260-A262 VanDerWaalsContact C-N 3.33Å; V260-A262 PolarHBondContact O-N 3.25Å; A262-R266 WeakPolarHBondContact O-CB 3.29Å; A262-R266 PolarHBondContact O-N 2.75Å; A262-R266 VanDerWaalsContact O-N 3.16Å
263W84.3Confident75.2Confident166 Ų166108.6 Ų108.663%0.62960%0.604SS**Hα-helixtrans-68.1-43.2176.7-178.785.3000112.1L259 V260 R266 N267L259-W263 VanDerWaalsContact O-CB 3.31Å; L259-W263 WeakPolarHBondContact O-CB 3.49Å; L259-W263 PolarHBondContact O-N 2.89Å; V260-W263 PolarHBondContact O-N 2.79Å; W263-R266 PolarHBondContact O-N 3.15Å; W263-N267 WeakPolarHBondContact CZ2-ND2 3.38Å; W263-N267 PolarHBondContact NE1-ND2 3.46Å; W263-N267 VanDerWaalsContact NE1-ND2 3.16Å; W263-N267 PolarHBondContact O-N 2.95Å
264Y82.6Confident72.8Confident147 Ų147111.6 Ų111.658%0.57661%0.611SS**Hα-helixtrans-61.6-45.1176.4-173.1-96.8000111.5V260 E261 R266 N267 V268V260-Y264 WeakPolarHBondContact O-CB 3.3Å; V260-Y264 PolarHBondContact O-N 3.11Å; E261-Y264 PolarHBondContact O-N 2.94Å; Y264-R266 PolarHBondContact O-N 2.85Å; Y264-N267 PolarHBondContact O-N 3.42Å; Y264-V268 HydrophobicContact CD1-CG2 4.33Å; Y264-V268 HydrophobicContact CD2-CG2 4.09Å; Y264-V268 HydrophobicContact CE1-CB 4.41Å; Y264-V268 HydrophobicContact CE1-CG2 4.02Å; Y264-V268 HydrophobicContact CE2-CG2 3.77Å; Y264-V268 HydrophobicContact CG-CG2 4.36Å; Y264-V268 WeakPolarHBondContact O-CB 3.09Å; Y264-V268 WeakPolarHBondContact O-CG2 3.48Å; Y264-V268 PolarHBondContact O-N 3.43Å
265S78.4Confident70.4Confident82 Ų82111.8 Ų111.857%0.57363%0.625SS**Hα-helixtrans-64.1-27.7177.6-55.90000112.8E261E261-S265 WeakPolarHBondContact O-CB 3.44Å; E261-S265 PolarHBondContact O-N 3.23Å; E261-S265 PolarHBondContact O-OG 2.82Å
266R69.6Low67.7Low215 Ų215115.3 Ų115.381%0.81164%0.638SS**Hα-helixtrans-82.8-32.2179.2-161.1174.8-174.6-169.90.2112.9A262 W263 Y264A262-R266 WeakPolarHBondContact O-CB 3.29Å; A262-R266 PolarHBondContact O-N 2.75Å; A262-R266 VanDerWaalsContact O-N 3.16Å; W263-R266 PolarHBondContact O-N 3.15Å; Y264-R266 PolarHBondContact O-N 2.85Å
267N68.4Low65.3Low93 Ų93121.2 Ų121.250%0.49765%0.654SS.*Hα-helixtrans-93.1-21.4-178.2-72.2-10.4000113.6W263 Y264 S269W263-N267 WeakPolarHBondContact CZ2-ND2 3.38Å; W263-N267 PolarHBondContact NE1-ND2 3.46Å; W263-N267 VanDerWaalsContact NE1-ND2 3.16Å; W263-N267 PolarHBondContact O-N 2.95Å; Y264-N267 PolarHBondContact O-N 3.42Å; N267-S269 PolarHBondContact O-N 2.96Å
268V57.1Low63.8Low77 Ų77123.6 Ų123.647%0.46767%0.666SS.*  trans-96.370.9172.8-174.30000109.1Y264Y264-V268 HydrophobicContact CD1-CG2 4.33Å; Y264-V268 HydrophobicContact CD2-CG2 4.09Å; Y264-V268 HydrophobicContact CE1-CB 4.41Å; Y264-V268 HydrophobicContact CE1-CG2 4.02Å; Y264-V268 HydrophobicContact CE2-CG2 3.77Å; Y264-V268 HydrophobicContact CG-CG2 4.36Å; Y264-V268 WeakPolarHBondContact O-CB 3.09Å; Y264-V268 WeakPolarHBondContact O-CG2 3.48Å; Y264-V268 PolarHBondContact O-N 3.43Å
269S58.2Low61.7Low99 Ų99130.5 Ų130.569%0.69270%0.7SS**  trans-120.9105.1150.9-76.60000106.8N267 G271N267-S269 PolarHBondContact O-N 2.96Å; S269-G271 PolarHBondContact O-N 3.49Å
270P48Very low60.3Low122 Ų122131.1 Ų131.179%0.79270%0.704SS**  trans-84.1117.2170.629.8-24.2000109.8
271G45.2Very low58.7Low77 Ų77133 Ų13379%0.79471%0.71SS**  trans29.9120.4134.500000120.1S269S269-G271 PolarHBondContact O-N 3.49Å
272E48Very low57.4Low176 Ų176133.5 Ų133.582%0.82272%0.718SS**  trans-65.2144.6160.5-169.8161.8169.100112.4
273S39.6Very low55.9Low120 Ų120137.9 Ų137.984%0.83973%0.731SS**  trans-142.7112.9152.663.80000110.1
274E43.5Very low54.1Low168 Ų168136.1 Ų136.179%0.78574%0.738SS**  trans-61.4162169.6-67.7176.797.200114.1
275A42.2Very low52.2Low90 Ų90135.4 Ų135.474%0.74475%0.748SS**  trans95.4112.5136.100000122.2
276F37.5Very low50.3Low184 Ų184139.2 Ų139.281%0.80776%0.761SS**  75.2139.1121.5-146.4-103.6000118.8
277K41.9Very low48.9Very low155 Ų155133.4 Ų133.467%0.67476%0.757SS**  cis-176.4-145.7-2.1-173.3-177.4167177.20106.8
278P58.8Low47.2Very low102 Ų102136.8 Ų136.866%0.66278%0.779SS**  -92.4159.9-104.529.4-11.7000116.8
279E46.8Very low46.3Very low271 Ų271142.2 Ų142.2100%1.26681%0.807SS**  -175.70105.7-119.6-173.7132.900109.6

Retrieved 279 of 279 residues in 188.1 ms (Link to these results)