A0A096N7N8_PAPAN Loading...

Phospholipid scramblase

May mediate accelerated ATP-independent bidirectional transbilayer migration of phospholipids upon binding calcium ions that results in a loss of phospholipid asymmetry in the plasma membrane.

AlphaFold DB , UniProt , Accession A0A096N7N8, Species PAPAN (Papio anubis, Olive baboon), Gene PLSCR5, Length 272 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
1M39.9Very low33.3Very low247 Ų247151.9 Ų151.9100%1.21777%0.772SS**  0108.50-92160.5166.900108.1
2A33.6Very low32.8Very low99 Ų99145.8 Ų145.882%0.81878%0.776SS**  trans-11.3134.8154.900000115.3
3S34Very low32.9Very low100 Ų100147.3 Ų147.370%0.69978%0.783SS**  121.414262.3166.40000106.5
4K38.4Very low33.3Very low167 Ų167144.6 Ų144.673%0.72678%0.777SS**  cis-174.3152.86.1-111.6-178175.1176.70108.4
5D37.2Very low33.2Very low138 Ų138140.1 Ų140.174%0.73876%0.762SS**  43.5154.6123.7-54.6-15.4000120.4
6A35.1Very low33Very low77 Ų77142.3 Ų142.364%0.63676%0.762SS**  cis175.1132.5-9.600000103.4
7Q31.8Very low32.9Very low176 Ų176143.2 Ų143.282%0.82277%0.766SS**  67.9119.799.3-126.8-174.98.800116
8N29.4Very low33Very low120 Ų120142.1 Ų142.164%0.64277%0.768SS**  104.9141.8118.9-135.3-0.2000121.4
9Q31.1Very low32.7Very low148 Ų148138.5 Ų138.569%0.69277%0.767SS**  trans75.5152.4150.3-60.2-154.4-8.300119.5
10R28.1Very low32.6Very low182 Ų182136.6 Ų136.669%0.68777%0.77SS**  cis173.4151.9-24.4-144.4-176.2-171.4-177.54.3103.8
11R27.4Very low33.1Very low217 Ų217135.7 Ų135.782%0.81977%0.77SS**  trans74.5135.8153.8-66.1175.2177.9176.6-2.1120.5
12G27.7Very low32.9Very low79 Ų79131.3 Ų131.381%0.81475%0.752SS**  trans141.999.2135.700000116.2
13L33.3Very low33.5Very low165 Ų165130.9 Ų130.986%0.86474%0.741SS**  trans-83.9154.8146.4-136.390.1000107
14P39.4Very low33.4Very low109 Ų109133 Ų13371%0.70874%0.744SS**  -158.5158.581.340.1-18.4000118.4
15S31.3Very low33.1Very low78 Ų78133.1 Ų133.155%0.54575%0.747SS.*  trans19.8163.914555.60000126.2
16F30.9Very low32.9Very low175 Ų175133.7 Ų133.777%0.76875%0.75SS**  trans117.8101.1151.6-57-64.1000115.1
17L30.1Very low32.6Very low157 Ų157138 Ų13882%0.82276%0.762SS**  87.2168.378.2-73.3-171000113.8
18P35.4Very low33.2Very low123 Ų123135.3 Ų135.380%0.79976%0.76SS**  -136.2-175.6-103.733.1-6.3000116.6
19G27.8Very low33.2Very low74 Ų74134.3 Ų134.376%0.76377%0.768SS**  trans107.9110.6156.600000117.3
20A30.2Very low33.2Very low100 Ų100132.8 Ų132.883%0.82677%0.774SS**  99160.980.400000112.7
21P42.3Very low33.3Very low119 Ų119130 Ų13077%0.77378%0.782SS**  cis-136.7176.5-39.837.2-18.3000116.2
22D36.7Very low33.6Very low154 Ų154125.4 Ų125.482%0.82478%0.783SS**  trans76.6163.1145.8-108.412.2000124.2
23P45.2Very low33.9Very low90 Ų90129 Ų12958%0.58478%0.784SS**  cis-136.5173.1-44.326.6-4.7000116.2
24D32.8Very low34.3Very low146 Ų146127 Ų12778%0.78178%0.781SS**  trans59.9119.9147.2-62-24.6000124
25Q32.1Very low33.8Very low169 Ų169125 Ų12579%0.7978%0.779SS**  177.5136.691.8-88.7-170.25.200114.2
26N32.3Very low34Very low150 Ų150129 Ų12980%0.80280%0.795SS**  trans87.2104150.7-60.2-21.5000121.6
27L30Very low34.1Very low167 Ų167130.3 Ų130.387%0.87480%0.803SS**  trans-99.4179.1160.8-87.6165.6000109.7
28P42.8Very low34.3Very low120 Ų120126.7 Ų126.778%0.77980%0.796SS**  cis-136.4158.95.828.1-5.4000116.2
29A30.8Very low34.2Very low98 Ų98132.9 Ų132.981%0.8180%0.804SS**  trans-148126.2139.800000109.6
30S29.7Very low34.6Very low117 Ų117138.3 Ų138.382%0.81881%0.81SS**  trans-70.8131.8-173.3500000114.1
31S31.9Very low34.7Very low123 Ų123141.3 Ų141.386%0.8681%0.811SS**  -165.8138.612758.30000111.2
32S33.8Very low34.6Very low121 Ų121141 Ų14185%0.84681%0.811SS**  trans-79.8129.8-174.747.10000113.1
33N33.2Very low35.1Very low153 Ų153144.6 Ų144.682%0.81881%0.814SS**  trans-76.9-176.4162.1-105.9-7.5000111
34P41.9Very low35.1Very low124 Ų124146.2 Ų146.281%0.80582%0.824SS**  cis-137.4173.6-2531.6-11.2000113.1
35G28.7Very low35.8Very low66 Ų66146.5 Ų146.568%0.6883%0.825SS**  trans154.6119.7156.900000117.1
36N34.5Very low36.4Very low163 Ų163143.7 Ų143.787%0.87282%0.821SS**  trans77.774.3158.7-54-14000118.1A38N36-A38 VanDerWaalsContact C-N 3.33Å; N36-A38 PolarHBondContact O-N 2.85Å
37Q34.9Very low37.2Very low202 Ų202148.9 Ų148.994%0.94483%0.829SS**  trans-78.586.7151.7-72.2-176.55.700109.2
38A33.8Very low38.2Very low82 Ų82144.5 Ų144.568%0.67881%0.813SS**  trans-92.3124.4161.500000108.4N36 Q40N36-A38 VanDerWaalsContact C-N 3.33Å; N36-A38 PolarHBondContact O-N 2.85Å; A38-Q40 PolarHBondContact O-N 3.06Å
39W33.3Very low38.4Very low252 Ų252148.3 Ų148.396%0.95582%0.817SS**  trans-45.1101.5174-63.295.5000112.4L41W39-L41 PolarHBondContact O-N 3.1Å
40Q35.6Very low38.7Very low189 Ų189151.1 Ų151.188%0.88382%0.818SS**  trans-83.893.7163.5-70.8-145.2-29.200108.6A38 S42A38-Q40 PolarHBondContact O-N 3.06Å; Q40-S42 PolarHBondContact O-N 2.93Å
41L33Very low39.2Very low163 Ų163151.3 Ų151.385%0.85382%0.816SS**  trans-54.3126.5165.7-145.882.1000108.8W39 R43W39-L41 PolarHBondContact O-N 3.1Å; L41-R43 PolarHBondContact O-N 3.22Å
42S40.1Very low39.7Very low112 Ų112151.5 Ų151.578%0.78381%0.812SS**  trans-44.2123.4176.4-46.90000111.7Q40Q40-S42 PolarHBondContact O-N 2.93Å
43R45.7Very low40.7Very low230 Ų230151.4 Ų151.487%0.86881%0.807SS**PPolyproline II helixtrans-60.2131.5170.3-68.9-178-178.2-164.80.2108.9L41 L45L41-R43 PolarHBondContact O-N 3.22Å; R43-L45 PolarHBondContact O-N 2.98Å
44P45.9Very low42.4Very low124 Ų124149 Ų14981%0.80580%0.802SS**PPolyproline II helixtrans-67.1132.5171-10.224.5000109.2
45L46.8Very low44.2Very low152 Ų152145.8 Ų145.880%0.79678%0.777SS**PPolyproline II helixtrans-56.3145.5166.8-95.982.1000109.8R43 R47R43-L45 PolarHBondContact O-N 2.98Å; L45-R47 PolarHBondContact O-N 2.82Å
46P44.6Very low46.9Very low109 Ų109143.7 Ų143.771%0.70875%0.752SS**  trans-58.8113.6170.8-16.728.6000109.8S48P46-S48 VanDerWaalsContact C-N 3.27Å; P46-S48 PolarHBondContact O-N 3.42Å
47R49.1Very low49.4Very low259 Ų259139.6 Ų139.698%0.97773%0.734SS**  trans-69.985.4166.8-78.7179.1174.7172.3-2.3108.3L45L45-R47 PolarHBondContact O-N 2.82Å
48S52Low51.9Low75 Ų75130.2 Ų130.252%0.52469%0.691SS.*  trans-147.849.2176.264.40000113.1P46P46-S48 VanDerWaalsContact C-N 3.27Å; P46-S48 PolarHBondContact O-N 3.42Å
49F47.1Very low54.7Low201 Ų201126.3 Ų126.388%0.88266%0.659SS**  trans-150.631165.9-70.3-72.1000113.3
50L37.5Very low57.5Low157 Ų157118.7 Ų118.782%0.82263%0.634SS**SBendtrans-96.2132.8157.2-69.8172.1000106.1T52L50-T52 VanDerWaalsContact C-N 3.26Å; L50-T52 PolarHBondContact O-N 2.85Å
51P40.1Very low60.1Low121 Ų121114.9 Ų114.979%0.78661%0.613SS**  trans-58.8103.2164.21.29.8000105V53P51-V53 PolarHBondContact O-N 2.69Å
52T42.7Very low63Low126 Ų126107.1 Ų107.177%0.77357%0.572SS**  trans-57.3104.9160.827.80000103.8L50 S54L50-T52 VanDerWaalsContact C-N 3.26Å; L50-T52 PolarHBondContact O-N 2.85Å; T52-S54 PolarHBondContact O-N 2.69Å
53V54.8Low65.5Low120 Ų120104.1 Ų104.173%0.72755%0.551SS**  trans-52.599.1159.9175.30000103.4P51 L55P51-V53 PolarHBondContact O-N 2.69Å; V53-L55 VanDerWaalsContact C-N 3.29Å; V53-L55 PolarHBondContact O-N 3.44Å
54S67.6Low67.6Low103 Ų103100.6 Ų100.672%0.7254%0.544SS*.  trans-69.198.6-174.552.30000104.9T52T52-S54 PolarHBondContact O-N 2.69Å
55L80.6Confident69.8Low55 Ų5595.3 Ų95.329%0.28851%0.509SS..PPolyproline II helixtrans-56.8133.7-178.4-154.573.2000108.2V53 P57 E60 V247V53-L55 VanDerWaalsContact C-N 3.29Å; V53-L55 PolarHBondContact O-N 3.44Å; L55-P57 WeakPolarHBondContact O-CD 3.44Å; L55-E60 VanDerWaalsContact CD2-CA 3.42Å; L55-E60 HydrophobicContact CD2-CB 4.2Å; L55-E60 HydrophobicContact CD2-CG 4.1Å; L55-V247 HydrophobicContact CD1-CB 4.14Å; L55-V247 HydrophobicContact CD1-CG1 3.81Å; L55-V247 HydrophobicContact CD1-CG2 3.24Å; L55-V247 HydrophobicContact CD2-CG1 4.28Å; L55-V247 HydrophobicContact CD2-CG2 4.38Å; L55-V247 HydrophobicContact CG-CG1 4.43Å; L55-V247 HydrophobicContact CG-CG2 3.73Å
56P84.7Confident72Confident23 Ų2392.3 Ų92.315%0.14949%0.494CS..PPolyproline II helixtrans-55.1128.5177-25.734.4000109.7G58 L59 A157 V163 T248P56-G58 PolarHBondContact O-N 2.86Å; P56-L59 HydrophobicContact CB-CD1 3.94Å; P56-L59 HydrophobicContact CB-CG 4.14Å; P56-L59 HydrophobicContact CG-CD1 4.09Å; P56-L59 WeakPolarHBondContact O-CB 3.3Å; P56-L59 PolarHBondContact O-N 3.34Å; P56-L59 VanDerWaalsContact O-N 3.09Å; P56-A157 HydrophobicContact CB-CB 4.31Å; P56-V163 HydrophobicContact CG-CG1 4.3Å; P56-T248 HydrophobicContact CG-CG2 3.92Å
57P87.3Confident74.3Confident77 Ų7788.1 Ų88.150%0.547%0.465SS..THydrogen-bonded Turntrans-52.1132.3-179-29.433.6000111.9L55 E60L55-P57 WeakPolarHBondContact O-CD 3.44Å; P57-E60 WeakPolarHBondContact CA-OE1 3.27Å
58G87.1Confident76.5Confident4 Ų475.8 Ų75.84%0.04142%0.419CS..THydrogen-bonded Turntrans93-10.6-179.500000114.7P56 E60 Y100P56-G58 PolarHBondContact O-N 2.86Å; G58-E60 WeakPolarHBondContact CA-OE2 3.3Å; G58-E60 VanDerWaalsContact N-CD 3.32Å; G58-E60 PolarHBondContact N-OE1 2.92Å; G58-E60 PolarHBondContact N-OE2 3.27Å; G58-Y100 WeakPolarHBondContact O-CE1 3.14Å; G58-Y100 PolarHBondContact O-OH 2.7Å
59L92.4Very high78.4Confident0 Ų073 Ų730%040%0.398CS..  trans-95.23.7175.8-58.3-165.5000113.9P56 Y61 L62 I133 A157 V247 A251P56-L59 HydrophobicContact CB-CD1 3.94Å; P56-L59 HydrophobicContact CB-CG 4.14Å; P56-L59 HydrophobicContact CG-CD1 4.09Å; P56-L59 WeakPolarHBondContact O-CB 3.3Å; P56-L59 PolarHBondContact O-N 3.34Å; P56-L59 VanDerWaalsContact O-N 3.09Å; L59-Y61 PolarHBondContact O-N 3.44Å; L59-L62 HydrophobicContact CD2-CD1 4.06Å; L59-L62 WeakPolarHBondContact O-CB 3.38Å; L59-L62 PolarHBondContact O-N 3.2Å; L59-I133 HydrophobicContact CD2-CD1 3.54Å; L59-I133 HydrophobicContact CD2-CG1 3.5Å; L59-A157 HydrophobicContact CD1-CB 3.84Å; L59-A157 HydrophobicContact CD2-CB 4.24Å; L59-A157 HydrophobicContact CG-CB 4.12Å; L59-V247 HydrophobicContact CB-CB 4.08Å; L59-V247 HydrophobicContact CB-CG2 3.82Å; L59-V247 HydrophobicContact CD1-CB 4.32Å; L59-V247 HydrophobicContact CD1-CG2 3.84Å; L59-A251 HydrophobicContact CD1-CB 4.23Å
60E92.8Very high80.5Confident93 Ų9363.5 Ų63.544%0.43536%0.356SS..G310 helixtrans-56.9-39-175.7-57.178.9-177.400112.1L55 P57 G58 L62 S63L55-E60 VanDerWaalsContact CD2-CA 3.42Å; L55-E60 HydrophobicContact CD2-CB 4.2Å; L55-E60 HydrophobicContact CD2-CG 4.1Å; P57-E60 WeakPolarHBondContact CA-OE1 3.27Å; G58-E60 WeakPolarHBondContact CA-OE2 3.3Å; G58-E60 VanDerWaalsContact N-CD 3.32Å; G58-E60 PolarHBondContact N-OE1 2.92Å; G58-E60 PolarHBondContact N-OE2 3.27Å; E60-L62 VanDerWaalsContact C-N 3.28Å; E60-L62 PolarHBondContact O-N 3.06Å; E60-S63 WeakPolarHBondContact O-CB 3.4Å; E60-S63 PolarHBondContact O-N 2.98Å; E60-S63 PolarHBondContact O-OG 3.31Å
61Y91.3Very high82.9Confident109 Ų10957.5 Ų57.543%0.42732%0.324SS..G310 helixtrans-65.3-33.4-179.4-153.4-77.9000112.1L59 S63 Q64 L65 N93 I99L59-Y61 PolarHBondContact O-N 3.44Å; Y61-S63 PolarHBondContact O-N 3.09Å; Y61-Q64 PolarHBondContact O-N 3.22Å; Y61-L65 HydrophobicContact CD1-CD1 3.93Å; Y61-L65 HydrophobicContact CD1-CD2 4.32Å; Y61-L65 HydrophobicContact CD1-CG 4.23Å; Y61-L65 HydrophobicContact CE1-CD1 4.2Å; Y61-L65 HydrophobicContact CE1-CD2 3.97Å; Y61-L65 HydrophobicContact CE1-CG 4.37Å; Y61-L65 WeakPolarHBondContact O-CG 3.44Å; Y61-N93 PolarHBondContact OH-ND2 2.9Å; Y61-I99 HydrophobicContact CD1-CB 3.98Å; Y61-I99 HydrophobicContact CD1-CD1 4.19Å; Y61-I99 HydrophobicContact CD1-CG2 3.65Å; Y61-I99 HydrophobicContact CE1-CB 4.05Å; Y61-I99 HydrophobicContact CE1-CG2 3.19Å; Y61-I99 HydrophobicContact CE2-CG2 4.43Å; Y61-I99 HydrophobicContact CG-CG2 4.44Å
62L93.3Very high85Confident0 Ų052.7 Ų52.70%029%0.291CS..G310 helixtrans-66.8-23.5179-63.7-176.7000113.1L59 E60 Q64 L65 I68 I99 Y100 V247 K250 A251 I254L59-L62 HydrophobicContact CD2-CD1 4.06Å; L59-L62 WeakPolarHBondContact O-CB 3.38Å; L59-L62 PolarHBondContact O-N 3.2Å; E60-L62 VanDerWaalsContact C-N 3.28Å; E60-L62 PolarHBondContact O-N 3.06Å; L62-Q64 PolarHBondContact O-N 2.64Å; L62-Q64 VanDerWaalsContact O-N 3.12Å; L62-L65 HydrophobicContact CD2-CD1 4.15Å; L62-L65 PolarHBondContact O-N 2.97Å; L62-I68 HydrophobicContact CD2-CD1 3.92Å; L62-I68 HydrophobicContact CD2-CG1 4.41Å; L62-I99 HydrophobicContact CD2-CD1 4.37Å; L62-Y100 HydrophobicContact CD2-CE2 3.73Å; L62-Y100 HydrophobicContact CG-CE2 3.98Å; L62-V247 HydrophobicContact CB-CB 4.25Å; L62-V247 HydrophobicContact CB-CG1 4.11Å; L62-K250 HydrophobicContact CB-CD 4.31Å; L62-K250 HydrophobicContact CD1-CB 4.24Å; L62-K250 WeakPolarHBondContact O-CD 3.47Å; L62-K250 PolarHBondContact O-NZ 3.45Å; L62-A251 HydrophobicContact CD1-CB 4.42Å; L62-I254 HydrophobicContact CD1-CD1 4.12Å; L62-I254 HydrophobicContact CD2-CD1 4.04Å
63S91.6Very high86.7Confident48 Ų4849.8 Ų49.834%0.33627%0.269SS..G310 helixtrans-63.4-18.4-177.868.30000113.9E60 Y61E60-S63 WeakPolarHBondContact O-CB 3.4Å; E60-S63 PolarHBondContact O-N 2.98Å; E60-S63 PolarHBondContact O-OG 3.31Å; Y61-S63 PolarHBondContact O-N 3.09Å
64Q90.2Very high87.4Confident156 Ų15647.7 Ų47.773%0.72926%0.256SS*.G310 helixtrans-107.9-3.6-176-60175.828.500113Y61 L62Y61-Q64 PolarHBondContact O-N 3.22Å; L62-Q64 PolarHBondContact O-N 2.64Å; L62-Q64 VanDerWaalsContact O-N 3.12Å
65L92.6Very high87.2Confident13 Ų1346.2 Ų46.27%0.06824%0.238CC..  trans-95.9130.2-172.3-60.1-176.2000112.3Y61 L62 I68 N93 I99 K250Y61-L65 HydrophobicContact CD1-CD1 3.93Å; Y61-L65 HydrophobicContact CD1-CD2 4.32Å; Y61-L65 HydrophobicContact CD1-CG 4.23Å; Y61-L65 HydrophobicContact CE1-CD1 4.2Å; Y61-L65 HydrophobicContact CE1-CD2 3.97Å; Y61-L65 HydrophobicContact CE1-CG 4.37Å; Y61-L65 WeakPolarHBondContact O-CG 3.44Å; L62-L65 HydrophobicContact CD2-CD1 4.15Å; L62-L65 PolarHBondContact O-N 2.97Å; L65-I68 HydrophobicContact CB-CG1 4.18Å; L65-I68 HydrophobicContact CD1-CG1 3.99Å; L65-N93 HydrophobicContact CD2-CB 3.96Å; L65-I99 HydrophobicContact CD1-CD1 3.36Å; L65-K250 WeakPolarHBondContact O-CE 3.4Å; L65-K250 PolarHBondContact O-NZ 3.27Å
66D93.1Very high86.1Confident89 Ų8948.9 Ų48.948%0.47625%0.252SS..SBendtrans-98.3-22.6166.858.9-12.1000112.3H240 V241 A243D66-H240 WeakPolarHBondContact O-CA 3.32Å; D66-V241 CarbonylContact C-O 3.45Å; D66-V241 WeakPolarHBondContact CA-O 2.94Å; D66-V241 WeakPolarHBondContact CB-O 3.49Å; D66-V241 PolarHBondContact O-N 2.84Å; D66-V241 VanDerWaalsContact O-O 3.04Å; D66-A243 HydrophobicContact CB-CB 4.49Å
67L93.5Very high84.5Confident21 Ų2153.9 Ų53.911%0.1128%0.276CS..EExtended strand (participates in β ladder)trans-129.4123.9175.7177.557.5000111.7I69 I239L67-I69 HydrophobicContact CD1-CG1 4.24Å; L67-I69 HydrophobicContact CD2-CD1 4.28Å; L67-I69 HydrophobicContact CD2-CG1 4.35Å; L67-I69 HydrophobicContact CG-CD1 4.48Å; L67-I69 HydrophobicContact CG-CG1 4.07Å; L67-I239 WeakPolarHBondContact CA-O 3.48Å; L67-I239 WeakPolarHBondContact CD1-O 3.23Å
68I94.6Very high83.1Confident0 Ų050.5 Ų50.50%026%0.255CS..EExtended strand (participates in β ladder)trans-116.9126.5171.8-55159.3000108.1L62 L65 I91 I239 K250 I254L62-I68 HydrophobicContact CD2-CD1 3.92Å; L62-I68 HydrophobicContact CD2-CG1 4.41Å; L65-I68 HydrophobicContact CB-CG1 4.18Å; L65-I68 HydrophobicContact CD1-CG1 3.99Å; I68-I91 HydrophobicContact CG2-CG2 3.45Å; I68-I91 VanDerWaalsContact CG2-CG2 3.45Å; I68-I239 HydrophobicContact CB-CB 4.14Å; I68-I239 HydrophobicContact CB-CD1 4.36Å; I68-I239 HydrophobicContact CG2-CD1 4.46Å; I68-I239 PolarHBondContact N-O 3.15Å; I68-I239 PolarHBondContact O-N 2.88Å; I68-K250 HydrophobicContact CD1-CB 4.28Å; I68-I254 HydrophobicContact CD1-CD1 4.23Å; I68-I254 HydrophobicContact CD1-CG1 4.38Å; I68-I254 HydrophobicContact CG2-CD1 4.33Å; I68-I254 HydrophobicContact CG2-CG1 4.25Å
69I92.5Very high81.6Confident16 Ų1656.2 Ų56.28%0.08228%0.283CS..EExtended strand (participates in β ladder)trans-109129.2-179.8-59.1171.9000108.2L67 I91 K92 F231 N236 F237L67-I69 HydrophobicContact CD1-CG1 4.24Å; L67-I69 HydrophobicContact CD2-CD1 4.28Å; L67-I69 HydrophobicContact CD2-CG1 4.35Å; L67-I69 HydrophobicContact CG-CD1 4.48Å; L67-I69 HydrophobicContact CG-CG1 4.07Å; I69-I91 CarbonylContact O-C 3.55Å; I69-I91 WeakPolarHBondContact O-CA 3.09Å; I69-K92 HydrophobicContact CB-CB 4.22Å; I69-K92 PolarHBondContact N-O 2.88Å; I69-K92 PolarHBondContact O-N 2.86Å; I69-F231 HydrophobicContact CD1-CE1 3.94Å; I69-F231 HydrophobicContact CG1-CE1 4.39Å; I69-N236 HydrophobicContact CG2-CB 4.45Å; I69-F237 CarbonylContact C-O 3.52Å; I69-F237 WeakPolarHBondContact CA-O 3.41Å
70I91.5Very high79.6Confident2 Ų262 Ų621%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-111.8118.7174.9-56.4176.4000107.7Y89 I91 N236 F237 I239 I254 C257 F258I70-Y89 HydrophobicContact CG2-CD1 4.05Å; I70-Y89 HydrophobicContact CG2-CG 4.41Å; I70-I91 HydrophobicContact CG1-CG1 4.38Å; I70-N236 WeakPolarHBondContact O-CA 3.39Å; I70-F237 HydrophobicContact CB-CB 4.26Å; I70-F237 PolarHBondContact N-O 2.9Å; I70-F237 PolarHBondContact O-N 2.91Å; I70-I239 HydrophobicContact CD1-CD1 4.19Å; I70-I254 HydrophobicContact CD1-CG2 4.17Å; I70-C257 HydrophobicContact CD1-CB 3.52Å; I70-F258 HydrophobicContact CD1-CZ 4.32Å; I70-F258 HydrophobicContact CG2-CE1 3.8Å; I70-F258 HydrophobicContact CG2-CZ 4.09Å
71H87.4Confident77.6Confident32 Ų3263.4 Ų63.415%0.14832%0.322CS..EExtended strand (participates in β ladder)trans-115.4115.4-174.9175.9-126.1000109.8Q73 Y89 E90 K92 A234 N236H71-Q73 PolarHBondContact ND1-NE2 2.86Å; H71-Y89 CarbonylContact O-C 3.59Å; H71-Y89 VanDerWaalsContact O-CA 3.28Å; H71-Y89 WeakPolarHBondContact O-CA 3.47Å; H71-E90 HydrophobicContact CB-CB 4.37Å; H71-E90 PolarHBondContact N-O 3.04Å; H71-E90 IonicContact ND1-OE2 3.74Å; H71-E90 PolarHBondContact O-N 3.18Å; H71-K92 HydrophobicContact CB-CD 4.49Å; H71-K92 PolarHBondContact ND1-NZ 2.8Å; H71-A234 WeakPolarHBondContact CD2-CB 3.29Å; H71-A234 WeakPolarHBondContact NE2-CB 3.1Å; H71-N236 WeakPolarHBondContact CA-OD1 3.4Å; H71-N236 VanDerWaalsContact CB-OD1 3.3Å; H71-N236 WeakPolarHBondContact CB-OD1 3.37Å; H71-N236 PolarHBondContact CD2-OD1 2.87Å
72Q83.6Confident75.7Confident19 Ų1961.4 Ų61.49%0.08934%0.335CS..EExtended strand (participates in β ladder)trans-74.6132176.7-171.2172.78.600110.9N87 Y89Q72-N87 PolarHBondContact NE2-OD1 3.33Å; Q72-Y89 HydrophobicContact CB-CD1 3.66Å; Q72-Y89 HydrophobicContact CB-CE1 3.65Å; Q72-Y89 HydrophobicContact CG-CD1 3.87Å; Q72-Y89 HydrophobicContact CG-CE1 3.53Å
73Q79.4Confident73.6Confident66 Ų6665.2 Ų65.231%0.30836%0.358SS..EExtended strand (participates in β ladder)trans-90.8112.6173.5-67.8-70-17.400108.7H71 K88 E90H71-Q73 PolarHBondContact ND1-NE2 2.86Å; Q73-K88 HydrophobicContact CB-CB 4.15Å; Q73-K88 PolarHBondContact N-O 3.28Å; Q73-E90 HydrophobicContact CG-CG 4.22Å; Q73-E90 PolarHBondContact NE2-OE2 2.92Å
74V68.4Low71.8Confident76 Ų7669.4 Ų69.446%0.46137%0.372SS..  trans-87111177.2-174.80000109.1L76 M79V74-L76 PolarHBondContact O-N 2.86Å; V74-L76 VanDerWaalsContact O-N 3.11Å; V74-M79 HydrophobicContact CG1-CE 3.65Å; V74-M79 HydrophobicContact CG1-SD 4.15Å
75E64.4Low70.3Confident71 Ų7164.5 Ų64.533%0.33235%0.353SS..  trans-82.486.1174.5-68.9-168164.700110.6L77 G78 M79 T85 K88E75-L77 PolarHBondContact O-N 2.86Å; E75-L77 VanDerWaalsContact O-N 3.17Å; E75-G78 PolarHBondContact O-N 2.66Å; E75-M79 PolarHBondContact O-N 2.87Å; E75-T85 HydrophobicContact CB-CG2 4.42Å; E75-T85 WeakPolarHBondContact OE2-CB 3.32Å; E75-T85 VanDerWaalsContact OE2-CG2 3.23Å; E75-T85 WeakPolarHBondContact OE2-CG2 3.47Å; E75-K88 WeakPolarHBondContact OE1-CD 3.37Å; E75-K88 WeakPolarHBondContact OE1-CE 3.44Å; E75-K88 IonicContact OE1-NZ 3.26Å; E75-K88 PolarHBondContact OE1-NZ 2.99Å; E75-K88 IonicContact OE2-NZ 3.26Å
76L56.2Low69.3Low112 Ų11266.5 Ų66.559%0.58637%0.368SS*.Hα-helixtrans-54.2-37-177.5-160.577.1000112.9V74 M79 I80V74-L76 PolarHBondContact O-N 2.86Å; V74-L76 VanDerWaalsContact O-N 3.11Å; L76-M79 HydrophobicContact CD1-CE 3.78Å; L76-M79 PolarHBondContact O-N 2.82Å; L76-I80 HydrophobicContact CD2-CD1 4.31Å; L76-I80 HydrophobicContact CG-CD1 4.02Å; L76-I80 WeakPolarHBondContact O-CD1 3.18Å; L76-I80 VanDerWaalsContact O-CG1 3.23Å; L76-I80 WeakPolarHBondContact O-CG1 3.33Å; L76-I80 PolarHBondContact O-N 3.17Å
77L52.1Low68.6Low127 Ų12763.8 Ų63.867%0.66535%0.354SS*.Hα-helixtrans-66.7-39.9178.3-75.2167.6000112.7E75 M79 I80 L81E75-L77 PolarHBondContact O-N 2.86Å; E75-L77 VanDerWaalsContact O-N 3.17Å; L77-M79 VanDerWaalsContact C-N 3.29Å; L77-M79 PolarHBondContact O-N 2.9Å; L77-I80 PolarHBondContact O-N 3.26Å; L77-L81 HydrophobicContact CB-CD1 4.4Å; L77-L81 WeakPolarHBondContact O-CB 3.21Å; L77-L81 WeakPolarHBondContact O-CD1 3.42Å; L77-L81 PolarHBondContact O-N 3.03Å
78G57.9Low68.2Low6 Ų665.6 Ų65.66%0.06236%0.361CS..Hα-helixtrans-62.3-38.9176.400000112.3E75 G82 T83E75-G78 PolarHBondContact O-N 2.66Å; G78-G82 PolarHBondContact O-N 2.91Å; G78-G82 VanDerWaalsContact O-N 3.09Å; G78-T83 WeakPolarHBondContact CA-OG1 3.45Å; G78-T83 PolarHBondContact O-N 2.87Å
79M54.3Low67.9Low124 Ų12465.8 Ų65.861%0.61136%0.361SS*.Hα-helixtrans-66.8-40.9175-60.3-161.8-56.700112.7V74 E75 L76 L77V74-M79 HydrophobicContact CG1-CE 3.65Å; V74-M79 HydrophobicContact CG1-SD 4.15Å; E75-M79 PolarHBondContact O-N 2.87Å; L76-M79 HydrophobicContact CD1-CE 3.78Å; L76-M79 PolarHBondContact O-N 2.82Å; L77-M79 VanDerWaalsContact C-N 3.29Å; L77-M79 PolarHBondContact O-N 2.9Å
80I50.7Low67.9Low123 Ų12366.8 Ų66.863%0.63137%0.366SS*.Hα-helixtrans-70.7-38.2179.7-66.8162.8000111.6L76 L77L76-I80 HydrophobicContact CD2-CD1 4.31Å; L76-I80 HydrophobicContact CG-CD1 4.02Å; L76-I80 WeakPolarHBondContact O-CD1 3.18Å; L76-I80 VanDerWaalsContact O-CG1 3.23Å; L76-I80 WeakPolarHBondContact O-CG1 3.33Å; L76-I80 PolarHBondContact O-N 3.17Å; L77-I80 PolarHBondContact O-N 3.26Å
81L51.3Low68.1Low122 Ų12266.7 Ų66.764%0.63937%0.365SS*.Hα-helixtrans-87.6-5.5-176.5-73.6154.2000113.4L77 T83L77-L81 HydrophobicContact CB-CD1 4.4Å; L77-L81 WeakPolarHBondContact O-CB 3.21Å; L77-L81 WeakPolarHBondContact O-CD1 3.42Å; L77-L81 PolarHBondContact O-N 3.03Å; L81-T83 HydrophobicContact CB-CG2 4.26Å; L81-T83 PolarHBondContact O-N 2.87Å
82G50.3Low68.3Low67 Ų6767 Ų6769%0.69137%0.366SS*.THydrogen-bonded Turntrans64.418.2-177.500000113.7G78G78-G82 PolarHBondContact O-N 2.91Å; G78-G82 VanDerWaalsContact O-N 3.09Å
83T50.6Low68.7Low79 Ų7966.4 Ų66.449%0.48536%0.364SS..  trans-84.1127.8175.1530000109.1G78 L81 T85G78-T83 WeakPolarHBondContact CA-OG1 3.45Å; G78-T83 PolarHBondContact O-N 2.87Å; L81-T83 HydrophobicContact CB-CG2 4.26Å; L81-T83 PolarHBondContact O-N 2.87Å; T83-T85 PolarHBondContact O-N 2.96Å
84E53Low69.1Low136 Ų13666.1 Ų66.164%0.63637%0.369SS*.  trans-62.197.4177.5-66.2-174.1149.200110.6
85T59.4Low70Confident54 Ų5468.9 Ų68.933%0.33138%0.381SS..PPolyproline II helixtrans-92.8123.7174.751.80000110E75 T83E75-T85 HydrophobicContact CB-CG2 4.42Å; E75-T85 WeakPolarHBondContact OE2-CB 3.32Å; E75-T85 VanDerWaalsContact OE2-CG2 3.23Å; E75-T85 WeakPolarHBondContact OE2-CG2 3.47Å; T83-T85 PolarHBondContact O-N 2.96Å
86S70.4Confident71.1Confident55 Ų5567.4 Ų67.439%0.38538%0.384SS..PPolyproline II helixtrans-52.6137.9168.9-78.80000111.9K88 E104S86-K88 PolarHBondContact O-N 3.07Å; S86-E104 WeakPolarHBondContact CB-O 3.42Å; S86-E104 PolarHBondContact OG-O 3.09Å
87N78.3Confident72.7Confident31 Ų3167.1 Ų67.117%0.16638%0.38CS..PPolyproline II helixtrans-63.5134173.2-69.2-47.1000110.3Q72 Y89 E104Q72-N87 PolarHBondContact NE2-OD1 3.33Å; N87-Y89 HydrophobicContact CB-CE2 3.58Å; N87-E104 HydrophobicContact CB-CB 3.99Å; N87-E104 WeakPolarHBondContact CB-OE2 2.84Å; N87-E104 PolarHBondContact ND2-OE2 2.81Å; N87-E104 WeakPolarHBondContact O-CB 3.41Å; N87-E104 PolarHBondContact O-N 3.01Å
88K86.4Confident74.6Confident60 Ų6066.2 Ų66.226%0.26137%0.367SS..EExtended strand (participates in β ladder)trans-124.8142.6-179.8-68.2171.2-172.7172.50109.3Q73 E75 S86 F101 A102 V103Q73-K88 HydrophobicContact CB-CB 4.15Å; Q73-K88 PolarHBondContact N-O 3.28Å; E75-K88 WeakPolarHBondContact OE1-CD 3.37Å; E75-K88 WeakPolarHBondContact OE1-CE 3.44Å; E75-K88 IonicContact OE1-NZ 3.26Å; E75-K88 PolarHBondContact OE1-NZ 2.99Å; E75-K88 IonicContact OE2-NZ 3.26Å; S86-K88 PolarHBondContact O-N 3.07Å; K88-F101 HydrophobicContact CB-CE2 4.37Å; K88-F101 HydrophobicContact CB-CZ 3.92Å; K88-F101 HydrophobicContact CD-CZ 4.16Å; K88-F101 HydrophobicContact CG-CZ 4.12Å; K88-A102 WeakPolarHBondContact CA-O 3.39Å; K88-V103 HydrophobicContact CG-CG2 4.41Å
89Y88.6Confident76.4Confident3 Ų366.2 Ų66.21%0.01237%0.366CS..EExtended strand (participates in β ladder)trans-139.2139.5-177.3-52-101.1000111.3I70 H71 Q72 N87 F101 A102 L122 F258 D261I70-Y89 HydrophobicContact CG2-CD1 4.05Å; I70-Y89 HydrophobicContact CG2-CG 4.41Å; H71-Y89 CarbonylContact O-C 3.59Å; H71-Y89 VanDerWaalsContact O-CA 3.28Å; H71-Y89 WeakPolarHBondContact O-CA 3.47Å; Q72-Y89 HydrophobicContact CB-CD1 3.66Å; Q72-Y89 HydrophobicContact CB-CE1 3.65Å; Q72-Y89 HydrophobicContact CG-CD1 3.87Å; Q72-Y89 HydrophobicContact CG-CE1 3.53Å; N87-Y89 HydrophobicContact CB-CE2 3.58Å; Y89-F101 VanDerWaalsContact O-CD2 3.29Å; Y89-F101 WeakPolarHBondContact O-CD2 3.19Å; Y89-A102 PolarHBondContact N-O 2.98Å; Y89-A102 PolarHBondContact O-N 3.21Å; Y89-L122 HydrophobicContact CD2-CD2 4.47Å; Y89-L122 HydrophobicContact CE2-CD2 4.33Å; Y89-F258 HydrophobicContact CD1-CD1 4.46Å; Y89-F258 AromaticContact CD1-CE1 3.92Å; Y89-F258 HydrophobicContact CD1-CE1 3.92Å; Y89-F258 HydrophobicContact CD2-CD1 4.2Å; Y89-F258 AromaticContact CD2-CE1 3.63Å; Y89-F258 HydrophobicContact CD2-CE1 3.63Å; Y89-F258 HydrophobicContact CE1-CD1 4.39Å; Y89-F258 HydrophobicContact CE1-CE1 4.29Å; Y89-F258 HydrophobicContact CE2-CD1 4.14Å; Y89-F258 HydrophobicContact CE2-CE1 4.04Å; Y89-F258 HydrophobicContact CG-CD1 4.38Å; Y89-F258 AromaticContact CG-CE1 3.58Å; Y89-F258 HydrophobicContact CG-CE1 3.58Å; Y89-F258 HydrophobicContact CG-CZ 4.47Å; Y89-D261 PolarHBondContact OH-OD2 2.74Å; Y89-D261 VanDerWaalsContact OH-OD2 3.1Å
90E92.4Very high78.4Confident37 Ų3760.6 Ų60.617%0.17334%0.338CS..EExtended strand (participates in β ladder)trans-95.6128.3166.4-68.7-174146.200109.6H71 Q73 K92 R98 F101H71-E90 HydrophobicContact CB-CB 4.37Å; H71-E90 PolarHBondContact N-O 3.04Å; H71-E90 IonicContact ND1-OE2 3.74Å; H71-E90 PolarHBondContact O-N 3.18Å; Q73-E90 HydrophobicContact CG-CG 4.22Å; Q73-E90 PolarHBondContact NE2-OE2 2.92Å; E90-K92 HydrophobicContact CB-CG 4.35Å; E90-K92 WeakPolarHBondContact OE2-CE 3.06Å; E90-K92 IonicContact OE2-NZ 2.61Å; E90-K92 PolarHBondContact OE2-NZ 3.41Å; E90-R98 HydrophobicContact CB-CG 4.38Å; E90-R98 HydrophobicContact CG-CG 4.45Å; E90-F101 HydrophobicContact CG-CD2 4.1Å; E90-F101 HydrophobicContact CG-CE2 4.34Å
91I93.9Very high80.5Confident0 Ų057.3 Ų57.30%032%0.319CS..EExtended strand (participates in β ladder)trans-99.9124.7171.2-53.5176.4000106.6I68 I69 I70 I99 Y100 A102 I124 I254 F258I68-I91 HydrophobicContact CG2-CG2 3.45Å; I68-I91 VanDerWaalsContact CG2-CG2 3.45Å; I69-I91 CarbonylContact O-C 3.55Å; I69-I91 WeakPolarHBondContact O-CA 3.09Å; I70-I91 HydrophobicContact CG1-CG1 4.38Å; I91-I99 HydrophobicContact CB-CG1 4.35Å; I91-I99 HydrophobicContact CG2-CD1 4.01Å; I91-I99 HydrophobicContact CG2-CG1 3.96Å; I91-I99 WeakPolarHBondContact O-CG1 3.23Å; I91-I99 PolarHBondContact O-N 3.4Å; I91-Y100 HydrophobicContact CG2-CD2 4.32Å; I91-Y100 PolarHBondContact N-O 3.3Å; I91-Y100 PolarHBondContact O-N 2.9Å; I91-A102 HydrophobicContact CD1-CB 4.43Å; I91-I124 HydrophobicContact CD1-CD1 4.21Å; I91-I124 HydrophobicContact CD1-CG2 3.87Å; I91-I254 HydrophobicContact CD1-CG2 3.89Å; I91-F258 HydrophobicContact CD1-CZ 4.35Å
92K92.8Very high82.5Confident39 Ų3951.5 Ų51.517%0.1729%0.289CS..EExtended strand (participates in β ladder)trans-125.4155.8-170.7-60.7174.5179.7-179.80111.4I69 H71 E90 G96 Q97I69-K92 HydrophobicContact CB-CB 4.22Å; I69-K92 PolarHBondContact N-O 2.88Å; I69-K92 PolarHBondContact O-N 2.86Å; H71-K92 HydrophobicContact CB-CD 4.49Å; H71-K92 PolarHBondContact ND1-NZ 2.8Å; E90-K92 HydrophobicContact CB-CG 4.35Å; E90-K92 WeakPolarHBondContact OE2-CE 3.06Å; E90-K92 IonicContact OE2-NZ 2.61Å; E90-K92 PolarHBondContact OE2-NZ 3.41Å; K92-G96 WeakPolarHBondContact CD-O 3.36Å; K92-Q97 CarbonylContact C-O 3.6Å; K92-Q97 WeakPolarHBondContact CA-O 3.4Å; K92-Q97 WeakPolarHBondContact CB-O 3.26Å
93N91.7Very high84.4Confident6 Ų650 Ų503%0.03227%0.266CS..  trans-83.1-179.5166.967.613.7000111.3Y61 L65 L95 G96 Q97 I99Y61-N93 PolarHBondContact OH-ND2 2.9Å; L65-N93 HydrophobicContact CD2-CB 3.96Å; N93-L95 PolarHBondContact O-N 3.4Å; N93-L95 WeakPolarHBondContact OD1-CA 3.13Å; N93-L95 WeakPolarHBondContact OD1-CB 3.32Å; N93-L95 PolarHBondContact OD1-N 2.85Å; N93-G96 PolarHBondContact O-N 3.04Å; N93-G96 PolarHBondContact OD1-N 3.45Å; N93-Q97 PolarHBondContact N-O 2.96Å; N93-Q97 PolarHBondContact ND2-OE1 3.07Å; N93-Q97 WeakPolarHBondContact OD1-CB 3.49Å; N93-Q97 PolarHBondContact OD1-N 2.8Å; N93-I99 HydrophobicContact CB-CG2 4.1Å
94S87.4Confident86.1Confident60 Ų6046.5 Ų46.542%0.4224%0.244SC..THydrogen-bonded Turntrans-60.4-21.517754.20000114.7G96S94-G96 VanDerWaalsContact C-N 3.29Å
95L88Confident87.5Confident135 Ų13544.5 Ų44.571%0.70724%0.235SC*.THydrogen-bonded Turntrans-86.82.4175.8-57.8176.2000112.7N93 Q97N93-L95 PolarHBondContact O-N 3.4Å; N93-L95 WeakPolarHBondContact OD1-CA 3.13Å; N93-L95 WeakPolarHBondContact OD1-CB 3.32Å; N93-L95 PolarHBondContact OD1-N 2.85Å; L95-Q97 HydrophobicContact CB-CG 4.19Å; L95-Q97 PolarHBondContact O-N 2.75Å
96G86.8Confident87.9Confident39 Ų3944.3 Ų44.340%0.40224%0.236SC..SBendtrans75.17.4-176.600000114.3K92 N93 S94K92-G96 WeakPolarHBondContact CD-O 3.36Å; N93-G96 PolarHBondContact O-N 3.04Å; N93-G96 PolarHBondContact OD1-N 3.45Å; S94-G96 VanDerWaalsContact C-N 3.29Å
97Q90.4Very high87.2Confident106 Ų10647.6 Ų47.650%0.49525%0.248SC..  trans-77.1132.6177.1-58.6172.8-4200109.5K92 N93 L95 I99K92-Q97 CarbonylContact C-O 3.6Å; K92-Q97 WeakPolarHBondContact CA-O 3.4Å; K92-Q97 WeakPolarHBondContact CB-O 3.26Å; N93-Q97 PolarHBondContact N-O 2.96Å; N93-Q97 PolarHBondContact ND2-OE1 3.07Å; N93-Q97 WeakPolarHBondContact OD1-CB 3.49Å; N93-Q97 PolarHBondContact OD1-N 2.8Å; L95-Q97 HydrophobicContact CB-CG 4.19Å; L95-Q97 PolarHBondContact O-N 2.75Å; Q97-I99 PolarHBondContact O-N 3.11Å
98R92.8Very high85.8Confident108 Ų10849.1 Ų49.141%0.40826%0.26SS..EExtended strand (participates in β ladder)trans-67.8126.5175.4-170.5-174.873.4-167.54.4110.2E90 Y100 N127E90-R98 HydrophobicContact CB-CG 4.38Å; E90-R98 HydrophobicContact CG-CG 4.45Å; R98-Y100 VanDerWaalsContact CG-O 3.28Å; R98-Y100 WeakPolarHBondContact CG-O 3.46Å; R98-N127 PolarHBondContact NE-OD1 3.17Å; R98-N127 PolarHBondContact NH2-OD1 3.48Å; R98-N127 PolarHBondContact O-ND2 3.3Å
99I94.9Very high84Confident7 Ų754.7 Ų54.74%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-108.3-35.2178.360.3169.8000111.2Y61 L62 L65 I91 N93 Q97Y61-I99 HydrophobicContact CD1-CB 3.98Å; Y61-I99 HydrophobicContact CD1-CD1 4.19Å; Y61-I99 HydrophobicContact CD1-CG2 3.65Å; Y61-I99 HydrophobicContact CE1-CB 4.05Å; Y61-I99 HydrophobicContact CE1-CG2 3.19Å; Y61-I99 HydrophobicContact CE2-CG2 4.43Å; Y61-I99 HydrophobicContact CG-CG2 4.44Å; L62-I99 HydrophobicContact CD2-CD1 4.37Å; L65-I99 HydrophobicContact CD1-CD1 3.36Å; I91-I99 HydrophobicContact CB-CG1 4.35Å; I91-I99 HydrophobicContact CG2-CD1 4.01Å; I91-I99 HydrophobicContact CG2-CG1 3.96Å; I91-I99 WeakPolarHBondContact O-CG1 3.23Å; I91-I99 PolarHBondContact O-N 3.4Å; N93-I99 HydrophobicContact CB-CG2 4.1Å; Q97-I99 PolarHBondContact O-N 3.11Å
100Y96.3Very high81.7Confident6 Ų659.3 Ų59.32%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-142163.8174.7-54.8-72.3000110.7G58 L62 I91 R98 I124 T125 D126 V132G58-Y100 WeakPolarHBondContact O-CE1 3.14Å; G58-Y100 PolarHBondContact O-OH 2.7Å; L62-Y100 HydrophobicContact CD2-CE2 3.73Å; L62-Y100 HydrophobicContact CG-CE2 3.98Å; I91-Y100 HydrophobicContact CG2-CD2 4.32Å; I91-Y100 PolarHBondContact N-O 3.3Å; I91-Y100 PolarHBondContact O-N 2.9Å; R98-Y100 VanDerWaalsContact CG-O 3.28Å; R98-Y100 WeakPolarHBondContact CG-O 3.46Å; Y100-I124 HydrophobicContact CD1-CG2 4.48Å; Y100-I124 HydrophobicContact CG-CG2 4.1Å; Y100-T125 CarbonylContact C-O 3.51Å; Y100-T125 WeakPolarHBondContact CA-O 3.27Å; Y100-T125 WeakPolarHBondContact CB-O 3.49Å; Y100-D126 HydrophobicContact CD1-CB 4.24Å; Y100-D126 HydrophobicContact CE1-CB 4.3Å; Y100-V132 HydrophobicContact CD1-CG2 3.69Å; Y100-V132 HydrophobicContact CE1-CG2 3.67Å
101F95.1Very high79.8Confident53 Ų5365.3 Ų65.323%0.23233%0.331CS..EExtended strand (participates in β ladder)trans-129.1127.6173.8-174.8-107.7000109.9K88 Y89 E90 V103 I124 T125K88-F101 HydrophobicContact CB-CE2 4.37Å; K88-F101 HydrophobicContact CB-CZ 3.92Å; K88-F101 HydrophobicContact CD-CZ 4.16Å; K88-F101 HydrophobicContact CG-CZ 4.12Å; Y89-F101 VanDerWaalsContact O-CD2 3.29Å; Y89-F101 WeakPolarHBondContact O-CD2 3.19Å; E90-F101 HydrophobicContact CG-CD2 4.1Å; E90-F101 HydrophobicContact CG-CE2 4.34Å; F101-V103 HydrophobicContact CD1-CG2 3.81Å; F101-V103 HydrophobicContact CE1-CG2 3.33Å; F101-V103 HydrophobicContact CZ-CG2 4.21Å; F101-I124 CarbonylContact O-C 3.51Å; F101-I124 WeakPolarHBondContact O-CA 3.4Å; F101-T125 PolarHBondContact N-O 3.47Å; F101-T125 PolarHBondContact O-N 3.28Å; F101-T125 PolarHBondContact O-OG1 3.22Å
102A93.2Very high77.4Confident0 Ų071.5 Ų71.50%037%0.369CS..EExtended strand (participates in β ladder)trans-110.8135.3-178.900000110.9K88 Y89 I91 R123 I124 F258K88-A102 WeakPolarHBondContact CA-O 3.39Å; Y89-A102 PolarHBondContact N-O 2.98Å; Y89-A102 PolarHBondContact O-N 3.21Å; I91-A102 HydrophobicContact CD1-CB 4.43Å; A102-R123 CarbonylContact C-O 3.59Å; A102-R123 VanDerWaalsContact CA-O 3.32Å; A102-R123 WeakPolarHBondContact CA-O 3.43Å; A102-I124 HydrophobicContact CB-CG1 3.89Å; A102-F258 HydrophobicContact CB-CE1 4.4Å; A102-F258 HydrophobicContact CB-CE2 4.45Å; A102-F258 HydrophobicContact CB-CZ 3.76Å
103V89.9Confident74.8Confident36 Ų3678.6 Ų78.622%0.21840%0.4CS..EExtended strand (participates in β ladder)trans-123.7132173.7-176.70000108.6K88 F101 L122 R123K88-V103 HydrophobicContact CG-CG2 4.41Å; F101-V103 HydrophobicContact CD1-CG2 3.81Å; F101-V103 HydrophobicContact CE1-CG2 3.33Å; F101-V103 HydrophobicContact CZ-CG2 4.21Å; V103-L122 WeakPolarHBondContact O-CA 3.44Å; V103-R123 PolarHBondContact N-O 3.36Å; V103-R123 PolarHBondContact O-N 3.45Å
104E85.9Confident72.6Confident5 Ų580.3 Ų80.32%0.02341%0.412CS..EExtended strand (participates in β ladder)trans-89.5120.9175-165-149.9118.100111S86 N87 S106 R118 C120 L122 F262S86-E104 WeakPolarHBondContact CB-O 3.42Å; S86-E104 PolarHBondContact OG-O 3.09Å; N87-E104 HydrophobicContact CB-CB 3.99Å; N87-E104 WeakPolarHBondContact CB-OE2 2.84Å; N87-E104 PolarHBondContact ND2-OE2 2.81Å; N87-E104 WeakPolarHBondContact O-CB 3.41Å; N87-E104 PolarHBondContact O-N 3.01Å; E104-S106 WeakPolarHBondContact OE1-CB 3.23Å; E104-S106 PolarHBondContact OE1-OG 2.82Å; E104-R118 IonicContact OE1-CZ 3.78Å; E104-R118 VanDerWaalsContact OE1-CZ 3.26Å; E104-R118 IonicContact OE1-NH1 2.71Å; E104-R118 PolarHBondContact OE1-NH1 3.46Å; E104-R118 IonicContact OE1-NH2 3.6Å; E104-R118 PolarHBondContact OE1-NH2 2.83Å; E104-R118 IonicContact OE2-CZ 3.59Å; E104-R118 IonicContact OE2-NH1 2.81Å; E104-R118 PolarHBondContact OE2-NH1 2.84Å; E104-R118 IonicContact OE2-NH2 3.86Å; E104-R118 PolarHBondContact OE2-NH2 2.85Å; E104-C120 HydrophobicContact CG-CB 4.06Å; E104-L122 HydrophobicContact CB-CD2 4.3Å; E104-L122 HydrophobicContact CG-CD2 4.48Å; E104-L122 HydrophobicContact CG-CG 4.35Å; E104-F262 HydrophobicContact CG-CZ 4.09Å; E104-F262 WeakPolarHBondContact OE2-CE1 3.45Å; E104-F262 WeakPolarHBondContact OE2-CZ 3.28Å
105E81.8Confident71Confident95 Ų9579.3 Ų79.344%0.44441%0.405SS..EExtended strand (participates in β ladder)trans-100.7107.3169.3-67.8-178.4171.900108.6C120 T121 R123E105-C120 WeakPolarHBondContact O-CA 3.28Å; E105-T121 PolarHBondContact N-O 3.24Å; E105-T121 PolarHBondContact O-N 2.81Å; E105-R123 VanDerWaalsContact CD-CD 3.46Å; E105-R123 VanDerWaalsContact OE1-CD 3.3Å; E105-R123 WeakPolarHBondContact OE1-CD 3.2Å; E105-R123 IonicContact OE1-NE 3.75Å; E105-R123 WeakPolarHBondContact OE2-CD 3.47Å; E105-R123 IonicContact OE2-NE 3.88Å; E105-R123 PolarHBondContact OE2-NE 3.4Å
106S68.4Low69.3Low49 Ų4974 Ų7434%0.34338%0.378SS..EExtended strand (participates in β ladder)trans-99.2135.8175.5-94.60000110.5E104 R118E104-S106 WeakPolarHBondContact OE1-CB 3.23Å; E104-S106 PolarHBondContact OE1-OG 2.82Å; S106-R118 PolarHBondContact OG-NH1 3.22Å
107I56.9Low67.8Low124 Ų12475.4 Ų75.464%0.63638%0.376SS*.  trans-90.1-8.2-175.6-59.4168.5000112
108C48.8Very low66.6Low64 Ų6471.5 Ų71.543%0.43236%0.357SS..  trans-110.6115.1-170.7-153.20000113.5N110C108-N110 PolarHBondContact O-N 3.26Å; C108-N110 VanDerWaalsContact O-N 3.15Å
109F47.3Very low65.8Low177 Ų17767.5 Ų67.578%0.77635%0.345SS*.SBendtrans-74.816.2-179.8-71.3-86000115.2
110N41.3Very low65.1Low99 Ų9967.2 Ų67.253%0.52934%0.344SS..  trans-148.388.9-178.3-137.8-36.8000112.9C108 T112C108-N110 PolarHBondContact O-N 3.26Å; C108-N110 VanDerWaalsContact O-N 3.15Å; N110-T112 PolarHBondContact O-N 3.2Å
111R51.3Low64.8Low163 Ų16368.5 Ų68.562%0.61535%0.353SS*.THydrogen-bonded Turntrans-62.8-20.6-177.4-160.1173.8-177.8-163.40.7113.7
112T44.9Very low64.6Low131 Ų13166.1 Ų66.180%0.80434%0.342SS*.THydrogen-bonded Turntrans-77.8-24.2-172.9-44.40000114.1N110N110-T112 PolarHBondContact O-N 3.2Å
113F38.2Very low64.7Low187 Ų18770.7 Ų70.782%0.8236%0.36SS*.THydrogen-bonded Turntrans-109.6-15.7-176.4-146.4-101.7000113.8
114C45.1Very low65Low43 Ų4369 Ų6929%0.29135%0.349SS..  trans-134.626.2-170.5-64.40000114.5T116 L117 R118C114-T116 PolarHBondContact O-N 2.76Å; C114-L117 PolarHBondContact O-N 2.84Å; C114-L117 VanDerWaalsContact O-N 3.13Å; C114-R118 PolarHBondContact O-N 3.5Å
115S54.3Low65.5Low39 Ų3970.1 Ų70.127%0.27336%0.357SS..THydrogen-bonded Turntrans-48-53.2-169.7630000114.4
116T51.3Low66.1Low24 Ų2466.5 Ų66.515%0.14734%0.34CS..THydrogen-bonded Turntrans-93.5-7.5-177.954.50000114.5C114 R137 H267C114-T116 PolarHBondContact O-N 2.76Å; T116-R137 PolarHBondContact O-NH2 3.26Å; T116-H267 VanDerWaalsContact CG2-NE2 3.33Å; T116-H267 WeakPolarHBondContact CG2-NE2 3.09Å
117L55.6Low67.2Low68 Ų6868.5 Ų68.536%0.35635%0.347SS..THydrogen-bonded Turntrans-101.93-170.2-64.1177.2000114C114 L139 R140 C141C114-L117 PolarHBondContact O-N 2.84Å; C114-L117 VanDerWaalsContact O-N 3.13Å; L117-L139 WeakPolarHBondContact O-CD2 3.02Å; L117-R140 VanDerWaalsContact CD2-O 3.23Å; L117-R140 WeakPolarHBondContact CD2-O 3.12Å; L117-C141 HydrophobicContact CD2-CB 4.47Å
118R66Low68.9Low23 Ų2367.9 Ų67.99%0.08735%0.354CS..  trans-74.2138.7-17363.1-168-175.580.6-15.3113.6E104 S106 C114 R137 E266E104-R118 IonicContact OE1-CZ 3.78Å; E104-R118 VanDerWaalsContact OE1-CZ 3.26Å; E104-R118 IonicContact OE1-NH1 2.71Å; E104-R118 PolarHBondContact OE1-NH1 3.46Å; E104-R118 IonicContact OE1-NH2 3.6Å; E104-R118 PolarHBondContact OE1-NH2 2.83Å; E104-R118 IonicContact OE2-CZ 3.59Å; E104-R118 IonicContact OE2-NH1 2.81Å; E104-R118 PolarHBondContact OE2-NH1 2.84Å; E104-R118 IonicContact OE2-NH2 3.86Å; E104-R118 PolarHBondContact OE2-NH2 2.85Å; S106-R118 PolarHBondContact OG-NH1 3.22Å; C114-R118 PolarHBondContact O-N 3.5Å; R118-R137 PolarHBondContact O-NH1 2.61Å; R118-E266 IonicContact CZ-OE1 3.69Å; R118-E266 IonicContact NE-OE1 2.7Å; R118-E266 IonicContact NE-OE2 3.34Å; R118-E266 IonicContact NH2-OE1 2.93Å; R118-E266 PolarHBondContact NH2-OE1 3.24Å; R118-E266 IonicContact NH2-OE2 2.98Å
119S75.6Confident70.8Confident24 Ų2467.5 Ų67.517%0.16836%0.36CS..  trans-79136.6162.950.20000108.1R137S119-R137 WeakPolarHBondContact CA-O 3.44Å; S119-R137 VanDerWaalsContact CB-O 3.23Å; S119-R137 WeakPolarHBondContact CB-O 3.5Å
120C81.1Confident73Confident1 Ų166.1 Ų66.11%0.00735%0.35CS..EExtended strand (participates in β ladder)trans-143.5152175.9620000109.7E104 E105 R137E104-C120 HydrophobicContact CG-CB 4.06Å; E105-C120 WeakPolarHBondContact O-CA 3.28Å; C120-R137 PolarHBondContact N-O 2.55Å; C120-R137 WeakPolarHBondContact O-CB 3.35Å; C120-R137 PolarHBondContact O-N 2.93Å
121T89.4Confident75.6Confident34 Ų3463.2 Ų63.221%0.20933%0.333CS..EExtended strand (participates in β ladder)trans-113.1123169.5-67.70000107.5E105 R123 T134 V135 N136E105-T121 PolarHBondContact N-O 3.24Å; E105-T121 PolarHBondContact O-N 2.81Å; T121-R123 HydrophobicContact CG2-CG 4.25Å; T121-T134 HydrophobicContact CG2-CG2 3.59Å; T121-V135 CarbonylContact C-O 3.57Å; T121-V135 WeakPolarHBondContact CA-O 3.12Å; T121-N136 WeakPolarHBondContact CG2-OD1 3.39Å; T121-N136 PolarHBondContact OG1-OD1 3.25Å
122L91.2Very high77.7Confident2 Ų255.5 Ų55.51%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-93.7124.1167-66.1117000109.1Y89 V103 E104 T134 V135 F258 F262Y89-L122 HydrophobicContact CD2-CD2 4.47Å; Y89-L122 HydrophobicContact CE2-CD2 4.33Å; V103-L122 WeakPolarHBondContact O-CA 3.44Å; E104-L122 HydrophobicContact CB-CD2 4.3Å; E104-L122 HydrophobicContact CG-CD2 4.48Å; E104-L122 HydrophobicContact CG-CG 4.35Å; L122-T134 WeakPolarHBondContact O-CA 3.1Å; L122-V135 HydrophobicContact CB-CB 4.18Å; L122-V135 HydrophobicContact CD1-CB 4.25Å; L122-V135 HydrophobicContact CD1-CG1 4.28Å; L122-V135 PolarHBondContact N-O 3.13Å; L122-V135 PolarHBondContact O-N 3.42Å; L122-F258 HydrophobicContact CD1-CB 3.75Å; L122-F258 HydrophobicContact CD1-CD2 4.11Å; L122-F258 HydrophobicContact CD1-CG 3.95Å; L122-F258 HydrophobicContact CD2-CB 4.24Å; L122-F258 HydrophobicContact CD2-CD1 3.65Å; L122-F258 HydrophobicContact CD2-CD2 3.96Å; L122-F258 HydrophobicContact CD2-CE1 3.91Å; L122-F258 HydrophobicContact CD2-CE2 4.18Å; L122-F258 HydrophobicContact CD2-CG 3.69Å; L122-F258 HydrophobicContact CD2-CZ 4.17Å; L122-F258 HydrophobicContact CG-CG 4.46Å; L122-F262 HydrophobicContact CD1-CE2 4.07Å
123R94.2Very high80.2Confident96 Ų9649.3 Ų49.336%0.36227%0.266SS..EExtended strand (participates in β ladder)trans-100.2117.6173.4-68.9177.3144.9-91.9-28.8108.7A102 V103 E105 T121 E131A102-R123 CarbonylContact C-O 3.59Å; A102-R123 VanDerWaalsContact CA-O 3.32Å; A102-R123 WeakPolarHBondContact CA-O 3.43Å; V103-R123 PolarHBondContact N-O 3.36Å; V103-R123 PolarHBondContact O-N 3.45Å; E105-R123 VanDerWaalsContact CD-CD 3.46Å; E105-R123 VanDerWaalsContact OE1-CD 3.3Å; E105-R123 WeakPolarHBondContact OE1-CD 3.2Å; E105-R123 IonicContact OE1-NE 3.75Å; E105-R123 WeakPolarHBondContact OE2-CD 3.47Å; E105-R123 IonicContact OE2-NE 3.88Å; E105-R123 PolarHBondContact OE2-NE 3.4Å; T121-R123 HydrophobicContact CG2-CG 4.25Å; R123-E131 IonicContact CZ-OE1 3.61Å; R123-E131 IonicContact CZ-OE2 2.64Å; R123-E131 IonicContact NH1-OE1 3.5Å; R123-E131 IonicContact NH1-OE2 3.61Å; R123-E131 PolarHBondContact NH1-OE2 2.78Å; R123-E131 IonicContact NH2-OE1 2.84Å; R123-E131 IonicContact NH2-OE2 2.82Å; R123-E131 PolarHBondContact NH2-OE2 2.87Å
124I95.9Very high83Confident0 Ų040.8 Ų40.80%023%0.23CC..EExtended strand (participates in β ladder)trans-108.4123.5-180-52.4178.4000108.3I91 Y100 F101 A102 V132 I133 V135 I254 F258I91-I124 HydrophobicContact CD1-CD1 4.21Å; I91-I124 HydrophobicContact CD1-CG2 3.87Å; Y100-I124 HydrophobicContact CD1-CG2 4.48Å; Y100-I124 HydrophobicContact CG-CG2 4.1Å; F101-I124 CarbonylContact O-C 3.51Å; F101-I124 WeakPolarHBondContact O-CA 3.4Å; A102-I124 HydrophobicContact CB-CG1 3.89Å; I124-V132 HydrophobicContact CG2-CG2 4.38Å; I124-V132 WeakPolarHBondContact O-CG2 3.41Å; I124-V132 PolarHBondContact O-N 2.95Å; I124-I133 HydrophobicContact CB-CB 3.96Å; I124-I133 WeakPolarHBondContact CB-O 3.37Å; I124-I133 HydrophobicContact CD1-CB 4.01Å; I124-I133 HydrophobicContact CD1-CD1 4.35Å; I124-I133 HydrophobicContact CD1-CG2 4.04Å; I124-I133 HydrophobicContact CG1-CB 4.32Å; I124-I133 PolarHBondContact N-O 3.03Å; I124-I133 PolarHBondContact O-N 2.79Å; I124-V135 HydrophobicContact CD1-CG2 4.3Å; I124-I254 HydrophobicContact CD1-CG2 3.84Å; I124-F258 HydrophobicContact CD1-CE2 4.03Å
125T96.1Very high85.4Confident29 Ų2938.7 Ų38.718%0.17822%0.216CC..EExtended strand (participates in β ladder)trans-114.3147-176.455.70000111.1Y100 F101 R130 E131Y100-T125 CarbonylContact C-O 3.51Å; Y100-T125 WeakPolarHBondContact CA-O 3.27Å; Y100-T125 WeakPolarHBondContact CB-O 3.49Å; F101-T125 PolarHBondContact N-O 3.47Å; F101-T125 PolarHBondContact O-N 3.28Å; F101-T125 PolarHBondContact O-OG1 3.22Å; T125-R130 CarbonylContact C-O 3.51Å; T125-R130 WeakPolarHBondContact CA-O 3.44Å; T125-E131 HydrophobicContact CG2-CB 4.37Å
126D94.5Very high87.2Confident20 Ų2038.7 Ų38.711%0.10721%0.213CC..EExtended strand (participates in β ladder)trans-73.5174.7167.669.524.3000111.7Y100 S128 G129 R130 V132Y100-D126 HydrophobicContact CD1-CB 4.24Å; Y100-D126 HydrophobicContact CE1-CB 4.3Å; D126-S128 PolarHBondContact O-N 3.02Å; D126-S128 VanDerWaalsContact O-N 3.1Å; D126-S128 VanDerWaalsContact OD1-CA 3.3Å; D126-S128 WeakPolarHBondContact OD1-CA 3.14Å; D126-S128 VanDerWaalsContact OD1-CB 3.27Å; D126-S128 WeakPolarHBondContact OD1-CB 3.44Å; D126-S128 PolarHBondContact OD1-N 2.86Å; D126-G129 PolarHBondContact O-N 3.33Å; D126-G129 PolarHBondContact OD1-N 3.4Å; D126-R130 PolarHBondContact N-O 3.21Å; D126-R130 PolarHBondContact OD1-N 3.24Å; D126-R130 IonicContact OD2-CZ 3.64Å; D126-R130 IonicContact OD2-NE 2.69Å; D126-R130 PolarHBondContact OD2-NE 2.62Å; D126-R130 IonicContact OD2-NH2 3.51Å; D126-R130 PolarHBondContact OD2-NH2 3.21Å; D126-V132 HydrophobicContact CB-CG1 4.02Å
127N91.4Very high88.9Confident90 Ų9037.9 Ų37.948%0.48121%0.207SC..THydrogen-bonded Turntrans-64.8-11.7179.1-77.3-35.1000114.4R98 G129R98-N127 PolarHBondContact NE-OD1 3.17Å; R98-N127 PolarHBondContact NH2-OD1 3.48Å; R98-N127 PolarHBondContact O-ND2 3.3Å; N127-G129 VanDerWaalsContact C-N 3.33Å
128S92.9Very high90.1Very high112 Ų11237 Ų3778%0.78321%0.205SC*.THydrogen-bonded Turntrans-90.4-0.1172.9-49.30000112.2D126 R130D126-S128 PolarHBondContact O-N 3.02Å; D126-S128 VanDerWaalsContact O-N 3.1Å; D126-S128 VanDerWaalsContact OD1-CA 3.3Å; D126-S128 WeakPolarHBondContact OD1-CA 3.14Å; D126-S128 VanDerWaalsContact OD1-CB 3.27Å; D126-S128 WeakPolarHBondContact OD1-CB 3.44Å; D126-S128 PolarHBondContact OD1-N 2.86Å; S128-R130 VanDerWaalsContact C-N 3.32Å
129G89.9Confident90.1Very high55 Ų5541.3 Ų41.357%0.56723%0.229SC*.SBendtrans80.88-177.500000114.1D126 N127D126-G129 PolarHBondContact O-N 3.33Å; D126-G129 PolarHBondContact OD1-N 3.4Å; N127-G129 VanDerWaalsContact C-N 3.33Å
130R93.8Very high89.7Confident149 Ų14943.6 Ų43.656%0.56223%0.234SC*.  trans-82.6131.1176.8174.6-178.456.9177-0.3109.5T125 D126 S128 V132T125-R130 CarbonylContact C-O 3.51Å; T125-R130 WeakPolarHBondContact CA-O 3.44Å; D126-R130 PolarHBondContact N-O 3.21Å; D126-R130 PolarHBondContact OD1-N 3.24Å; D126-R130 IonicContact OD2-CZ 3.64Å; D126-R130 IonicContact OD2-NE 2.69Å; D126-R130 PolarHBondContact OD2-NE 2.62Å; D126-R130 IonicContact OD2-NH2 3.51Å; D126-R130 PolarHBondContact OD2-NH2 3.21Å; S128-R130 VanDerWaalsContact C-N 3.32Å; R130-V132 PolarHBondContact O-N 2.52Å
131E94.8Very high88.6Confident37 Ų3746 Ų4617%0.17325%0.25CS..EExtended strand (participates in β ladder)trans-68.7126.5175.4-165.5-177.3174.300110.6R123 T125 T134 P159R123-E131 IonicContact CZ-OE1 3.61Å; R123-E131 IonicContact CZ-OE2 2.64Å; R123-E131 IonicContact NH1-OE1 3.5Å; R123-E131 IonicContact NH1-OE2 3.61Å; R123-E131 PolarHBondContact NH1-OE2 2.78Å; R123-E131 IonicContact NH2-OE1 2.84Å; R123-E131 IonicContact NH2-OE2 2.82Å; R123-E131 PolarHBondContact NH2-OE2 2.87Å; T125-E131 HydrophobicContact CG2-CB 4.37Å; E131-T134 PolarHBondContact OE1-OG1 2.96Å; E131-P159 HydrophobicContact CB-CG 3.97Å; E131-P159 HydrophobicContact CG-CG 3.52Å
132V96.4Very high87.1Confident2 Ų247 Ų471%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-119.4-31.4-175-67.90000112.7Y100 I124 D126 R130Y100-V132 HydrophobicContact CD1-CG2 3.69Å; Y100-V132 HydrophobicContact CE1-CG2 3.67Å; I124-V132 HydrophobicContact CG2-CG2 4.38Å; I124-V132 WeakPolarHBondContact O-CG2 3.41Å; I124-V132 PolarHBondContact O-N 2.95Å; D126-V132 HydrophobicContact CB-CG1 4.02Å; R130-V132 PolarHBondContact O-N 2.52Å
133I97Very high85.3Confident0 Ų050 Ų500%028%0.276CS..EExtended strand (participates in β ladder)trans-134.6135.5176.2-54.2163.1000108.7L59 I124 V135 I155 Q156 A157 A251L59-I133 HydrophobicContact CD2-CD1 3.54Å; L59-I133 HydrophobicContact CD2-CG1 3.5Å; I124-I133 HydrophobicContact CB-CB 3.96Å; I124-I133 WeakPolarHBondContact CB-O 3.37Å; I124-I133 HydrophobicContact CD1-CB 4.01Å; I124-I133 HydrophobicContact CD1-CD1 4.35Å; I124-I133 HydrophobicContact CD1-CG2 4.04Å; I124-I133 HydrophobicContact CG1-CB 4.32Å; I124-I133 PolarHBondContact N-O 3.03Å; I124-I133 PolarHBondContact O-N 2.79Å; I133-V135 HydrophobicContact CG2-CG2 4.07Å; I133-I155 HydrophobicContact CG2-CG2 4.02Å; I133-Q156 CarbonylContact C-O 3.59Å; I133-Q156 VanDerWaalsContact CA-O 3.26Å; I133-Q156 WeakPolarHBondContact CA-O 3.33Å; I133-A157 HydrophobicContact CG1-CB 4.3Å; I133-A251 HydrophobicContact CD1-CB 3.97Å
134T96.2Very high83.1Confident8 Ų849.4 Ų49.45%0.04929%0.285CS..EExtended strand (participates in β ladder)trans-116.2127.2167.5-45.70000108.3T121 L122 E131 Q156 P159T121-T134 HydrophobicContact CG2-CG2 3.59Å; L122-T134 WeakPolarHBondContact O-CA 3.1Å; E131-T134 PolarHBondContact OE1-OG1 2.96Å; T134-Q156 PolarHBondContact N-O 2.97Å; T134-Q156 PolarHBondContact O-N 2.81Å; T134-P159 WeakPolarHBondContact OG1-CB 3.24Å; T134-P159 WeakPolarHBondContact OG1-CG 3.4Å
135V95.1Very high81Confident0 Ų060.9 Ų60.90%033%0.329CS..EExtended strand (participates in β ladder)trans-110.5116.7173.7179.90000108.5T121 L122 I124 I133 L153 E154 I155T121-V135 CarbonylContact C-O 3.57Å; T121-V135 WeakPolarHBondContact CA-O 3.12Å; L122-V135 HydrophobicContact CB-CB 4.18Å; L122-V135 HydrophobicContact CD1-CB 4.25Å; L122-V135 HydrophobicContact CD1-CG1 4.28Å; L122-V135 PolarHBondContact N-O 3.13Å; L122-V135 PolarHBondContact O-N 3.42Å; I124-V135 HydrophobicContact CD1-CG2 4.3Å; I133-V135 HydrophobicContact CG2-CG2 4.07Å; V135-L153 HydrophobicContact CG1-CB 4.34Å; V135-L153 HydrophobicContact CG1-CD1 4.26Å; V135-L153 HydrophobicContact CG1-CD2 4.23Å; V135-E154 WeakPolarHBondContact CA-O 3.46Å; V135-I155 HydrophobicContact CB-CD1 4.26Å; V135-I155 HydrophobicContact CG1-CD1 3.79Å; V135-I155 HydrophobicContact CG2-CD1 3.79Å
136N92.4Very high79Confident39 Ų3961.8 Ų61.821%0.20934%0.336CS..EExtended strand (participates in β ladder)trans-104.5120.8-180-68.9-35.7000110.2T121 L153 E154 Q156T121-N136 WeakPolarHBondContact CG2-OD1 3.39Å; T121-N136 PolarHBondContact OG1-OD1 3.25Å; N136-L153 WeakPolarHBondContact O-CA 3.16Å; N136-E154 HydrophobicContact CB-CB 4.31Å; N136-E154 PolarHBondContact N-O 2.89Å; N136-E154 PolarHBondContact O-N 2.76Å; N136-Q156 PolarHBondContact ND2-NE2 2.99Å
137R87.6Confident77.2Confident7 Ų765.6 Ų65.63%0.02636%0.362CS..EExtended strand (participates in β ladder)trans-107.9109.2172.5-174.8178.8174-137.2-3.9109.8T116 R118 S119 C120 L153T116-R137 PolarHBondContact O-NH2 3.26Å; R118-R137 PolarHBondContact O-NH1 2.61Å; S119-R137 WeakPolarHBondContact CA-O 3.44Å; S119-R137 VanDerWaalsContact CB-O 3.23Å; S119-R137 WeakPolarHBondContact CB-O 3.5Å; C120-R137 PolarHBondContact N-O 2.55Å; C120-R137 WeakPolarHBondContact O-CB 3.35Å; C120-R137 PolarHBondContact O-N 2.93Å; R137-L153 HydrophobicContact CB-CD2 3.49Å; R137-L153 VanDerWaalsContact CB-CD2 3.49Å; R137-L153 HydrophobicContact CG-CD2 3.68Å
138P79.7Confident75.4Confident48 Ų4864 Ų6431%0.31236%0.357SS..  trans-67.4160.3170.727.5-34.8000112.4R140 E152P138-R140 HydrophobicContact CG-CG 4.1Å; P138-R140 PolarHBondContact O-N 2.92Å; P138-E152 VanDerWaalsContact CD-O 3.27Å; P138-E152 WeakPolarHBondContact CD-O 3.36Å
139L67.3Low74Confident115 Ų11565.9 Ų65.960%0.60235%0.348SS*.  trans-61.4117.8170.7-67169.5000109.6L117L117-L139 WeakPolarHBondContact O-CD2 3.02Å
140R67.4Low73.4Confident71 Ų7165.9 Ų65.927%0.26833%0.334SS..  trans-144.7152.2-177-64.8-65.6-176.1163.44.5110.9L117 P138 Q151 E152L117-R140 VanDerWaalsContact CD2-O 3.23Å; L117-R140 WeakPolarHBondContact CD2-O 3.12Å; P138-R140 HydrophobicContact CG-CG 4.1Å; P138-R140 PolarHBondContact O-N 2.92Å; R140-Q151 PolarHBondContact O-NE2 3.14Å; R140-Q151 VanDerWaalsContact O-NE2 3.15Å; R140-E152 IonicContact NH2-OE1 2.82Å
141C57.8Low73Confident51 Ų5158.9 Ų58.935%0.34531%0.308SS..  trans-77.8149.9-178.1-70.40000112.4L117 C148 Y149 Q151L117-C141 HydrophobicContact CD2-CB 4.47Å; C141-C148 WeakPolarHBondContact CB-O 3.28Å; C141-Y149 PolarHBondContact N-O 3.08Å; C141-Y149 VanDerWaalsContact N-O 3.1Å; C141-Q151 PolarHBondContact O-NE2 2.87Å
142N57.1Low72.7Confident57 Ų5759.5 Ų59.531%0.30531%0.311SS..  trans-109.117178.2-160.323.2000113.4M263N142-M263 WeakPolarHBondContact OD1-CE 3.48Å
143S54Low72.5Confident65 Ų6559.6 Ų59.646%0.45531%0.311SS..  trans-86.8120.5-175.4-173.50000112.1W145S143-W145 PolarHBondContact O-N 3.48Å; S143-W145 PolarHBondContact OG-N 3.23Å
144C48.3Very low72.5Confident83 Ų8361.9 Ų61.956%0.56132%0.322SS*.THydrogen-bonded Turntrans-66.1-21.6174.1-172.40000113.2W170C144-W170 PolarHBondContact O-NE1 3.08Å
145W52.2Low72.5Confident241 Ų24161.5 Ų61.591%0.91332%0.32SS*.THydrogen-bonded Turntrans-94.1-3.3-171-60.194.2000114.4S143S143-W145 PolarHBondContact O-N 3.48Å; S143-W145 PolarHBondContact OG-N 3.23Å
146C52.7Low72.6Confident48 Ų4862.9 Ų62.932%0.32433%0.326SS..  trans-136.9127.8174.2-178.30000109.1C148C146-C148 HydrophobicContact CB-CB 4.44Å; C146-C148 WeakPolarHBondContact CB-SG 3.4Å; C146-C148 PolarHBondContact O-N 3.36Å; C146-C148 WeakPolarHBondContact SG-CB 3.3Å; C146-C148 CovalentContact SG-SG 2.05Å; C146-C148 PolarHBondContact SG-SG 2.94Å
147P57.9Low72.8Confident100 Ų10061.1 Ų61.165%0.64932%0.317SS*.  trans-68.99.7175.730.5-35.6000113.3Y149P147-Y149 PolarHBondContact O-N 3.34Å
148C52.9Low73.1Confident56 Ų5662.9 Ų62.938%0.37833%0.329SS..THydrogen-bonded Turntrans-79.9113.6-176.849.80000110.7C141 C146C141-C148 WeakPolarHBondContact CB-O 3.28Å; C146-C148 HydrophobicContact CB-CB 4.44Å; C146-C148 WeakPolarHBondContact CB-SG 3.4Å; C146-C148 PolarHBondContact O-N 3.36Å; C146-C148 WeakPolarHBondContact SG-CB 3.3Å; C146-C148 CovalentContact SG-SG 2.05Å; C146-C148 PolarHBondContact SG-SG 2.94Å
149Y64.2Low73.7Confident152 Ų15262.9 Ų62.960%0.59633%0.329SS*.THydrogen-bonded Turntrans66.658.6174.8-59.7-95.3000116.3C141 P147C141-Y149 PolarHBondContact N-O 3.08Å; C141-Y149 VanDerWaalsContact N-O 3.1Å; P147-Y149 PolarHBondContact O-N 3.34Å
150L77.8Confident74.9Confident54 Ų5460.4 Ų60.428%0.28333%0.332SS..  trans-51.8149.8166.1-66.9174.4000112Q168 W170L150-Q168 HydrophobicContact CB-CB 4.26Å; L150-Q168 WeakPolarHBondContact CD1-O 3.45Å; L150-Q168 HydrophobicContact CD2-CG 4.18Å; L150-W170 HydrophobicContact CD1-CB 4.1Å; L150-W170 HydrophobicContact CD2-CB 4.35Å
151Q84.2Confident76.2Confident2 Ų260.7 Ų60.71%0.00934%0.341CS..  trans-67.3141.6-178.8-59.4-67.9-45.700111.3R140 C141 Q168 L259 M263R140-Q151 PolarHBondContact O-NE2 3.14Å; R140-Q151 VanDerWaalsContact O-NE2 3.15Å; C141-Q151 PolarHBondContact O-NE2 2.87Å; Q151-Q168 HydrophobicContact CB-CB 4.08Å; Q151-Q168 VanDerWaalsContact N-OE1 3.07Å; Q151-Q168 WeakPolarHBondContact O-CB 3.47Å; Q151-Q168 PolarHBondContact O-N 3.35Å; Q151-L259 HydrophobicContact CB-CD1 4.21Å; Q151-L259 HydrophobicContact CB-CD2 4.2Å; Q151-L259 HydrophobicContact CG-CD1 4.34Å; Q151-M263 HydrophobicContact CB-SD 4.36Å; Q151-M263 HydrophobicContact CG-CE 3.88Å; Q151-M263 HydrophobicContact CG-SD 3.8Å
152E89.1Confident78.1Confident51 Ų5161.2 Ų61.224%0.23834%0.34CS..EExtended strand (participates in β ladder)trans-140.3142172.4-172.917863.400107.7P138 R140 V166 K184P138-E152 VanDerWaalsContact CD-O 3.27Å; P138-E152 WeakPolarHBondContact CD-O 3.36Å; R140-E152 IonicContact NH2-OE1 2.82Å; E152-V166 CarbonylContact C-O 3.49Å; E152-V166 VanDerWaalsContact CA-O 3.28Å; E152-V166 WeakPolarHBondContact CA-O 3.5Å; E152-K184 IonicContact OE1-NZ 3.74Å; E152-K184 IonicContact OE2-NZ 3.42Å; E152-K184 PolarHBondContact OE2-NZ 3.21Å
153L92.6Very high79.9Confident3 Ų359.2 Ų59.22%0.01633%0.33CS..EExtended strand (participates in β ladder)trans-120.3139.9169.6-61.2175000109V135 N136 R137 I155 Y165 V166 G255 L259V135-L153 HydrophobicContact CG1-CB 4.34Å; V135-L153 HydrophobicContact CG1-CD1 4.26Å; V135-L153 HydrophobicContact CG1-CD2 4.23Å; N136-L153 WeakPolarHBondContact O-CA 3.16Å; R137-L153 HydrophobicContact CB-CD2 3.49Å; R137-L153 VanDerWaalsContact CB-CD2 3.49Å; R137-L153 HydrophobicContact CG-CD2 3.68Å; L153-I155 HydrophobicContact CB-CD1 4.39Å; L153-Y165 CarbonylContact O-C 3.57Å; L153-Y165 WeakPolarHBondContact O-CA 3.46Å; L153-Y165 WeakPolarHBondContact O-CB 3.41Å; L153-V166 HydrophobicContact CB-CB 4.17Å; L153-V166 HydrophobicContact CD1-CB 4.24Å; L153-V166 PolarHBondContact N-O 2.83Å; L153-V166 PolarHBondContact O-N 2.94Å; L153-G255 WeakPolarHBondContact CD1-O 3.42Å; L153-L259 HydrophobicContact CD1-CB 3.54Å; L153-L259 HydrophobicContact CD1-CD2 3.99Å; L153-L259 HydrophobicContact CD1-CG 4.28Å; L153-L259 HydrophobicContact CD2-CB 4.47Å; L153-L259 HydrophobicContact CD2-CD1 4.38Å; L153-L259 HydrophobicContact CG-CB 4.26Å; L153-L259 HydrophobicContact CG-CD2 4.09Å
154E95.9Very high82Confident48 Ų4856.2 Ų56.222%0.22431%0.309CS..EExtended strand (participates in β ladder)trans-103.9133.6168.3179.6-174.3103.600109.6V135 N136 Q156 I162 Y165V135-E154 WeakPolarHBondContact CA-O 3.46Å; N136-E154 HydrophobicContact CB-CB 4.31Å; N136-E154 PolarHBondContact N-O 2.89Å; N136-E154 PolarHBondContact O-N 2.76Å; E154-Q156 HydrophobicContact CG-CG 4.41Å; E154-Q156 PolarHBondContact OE1-NE2 3.25Å; E154-I162 HydrophobicContact CG-CD1 4.37Å; E154-I162 HydrophobicContact CG-CG1 4.17Å; E154-I162 HydrophobicContact CG-CG2 4.3Å; E154-Y165 HydrophobicContact CB-CD1 3.94Å; E154-Y165 HydrophobicContact CB-CE1 3.9Å; E154-Y165 HydrophobicContact CG-CD1 4.14Å; E154-Y165 HydrophobicContact CG-CE1 3.7Å
155I97.1Very high84.3Confident0 Ų053.3 Ų53.30%029%0.287CS..EExtended strand (participates in β ladder)trans-113.9122.3-178.8-45.6-63.3000108.4I133 V135 L153 V163 G164 A251 A252I133-I155 HydrophobicContact CG2-CG2 4.02Å; V135-I155 HydrophobicContact CB-CD1 4.26Å; V135-I155 HydrophobicContact CG1-CD1 3.79Å; V135-I155 HydrophobicContact CG2-CD1 3.79Å; L153-I155 HydrophobicContact CB-CD1 4.39Å; I155-V163 HydrophobicContact CB-CG2 4.16Å; I155-V163 HydrophobicContact CG2-CG2 3.82Å; I155-V163 WeakPolarHBondContact O-CG2 3.5Å; I155-V163 PolarHBondContact O-N 2.71Å; I155-G164 WeakPolarHBondContact CB-O 3.4Å; I155-G164 PolarHBondContact N-O 2.85Å; I155-G164 PolarHBondContact O-N 3.01Å; I155-A251 HydrophobicContact CG2-CB 4.18Å; I155-A252 HydrophobicContact CG1-CB 4.15Å
156Q97Very high86.4Confident30 Ų3041.9 Ų41.914%0.1424%0.243CC..EExtended strand (participates in β ladder)trans-114.8133.6176.4-56.1-178.60.900110.5I133 T134 N136 E154 T161 I162I133-Q156 CarbonylContact C-O 3.59Å; I133-Q156 VanDerWaalsContact CA-O 3.26Å; I133-Q156 WeakPolarHBondContact CA-O 3.33Å; T134-Q156 PolarHBondContact N-O 2.97Å; T134-Q156 PolarHBondContact O-N 2.81Å; N136-Q156 PolarHBondContact ND2-NE2 2.99Å; E154-Q156 HydrophobicContact CG-CG 4.41Å; E154-Q156 PolarHBondContact OE1-NE2 3.25Å; Q156-T161 CarbonylContact C-O 3.58Å; Q156-T161 WeakPolarHBondContact CA-O 3.03Å; Q156-I162 HydrophobicContact CG-CG1 4.19Å
157A95.4Very high88.3Confident1 Ų140 Ų401%0.00823%0.231CC..SBendtrans-154.4118.5173.800000110.8P56 L59 I133 T161 V163P56-A157 HydrophobicContact CB-CB 4.31Å; L59-A157 HydrophobicContact CD1-CB 3.84Å; L59-A157 HydrophobicContact CD2-CB 4.24Å; L59-A157 HydrophobicContact CG-CB 4.12Å; I133-A157 HydrophobicContact CG1-CB 4.3Å; A157-T161 PolarHBondContact N-O 3.01Å; A157-V163 HydrophobicContact CB-CG1 4.03Å; A157-V163 HydrophobicContact CB-CG2 4Å; A157-V163 WeakPolarHBondContact O-CG1 3.25Å
158P94.2Very high89.9Confident44 Ų4436.9 Ų36.929%0.28621%0.208SC..SBendcis-59.7171.9-16.230.5-37.1000111.1G160 T161P158-G160 PolarHBondContact O-N 3.19Å; P158-T161 PolarHBondContact O-N 2.97Å
159P93.6Very high91.7Very high49 Ų4938 Ų3832%0.31821%0.207SC..THydrogen-bonded Turntrans-49.3131.9175.4-27.835.4000112.1E131 T134E131-P159 HydrophobicContact CB-CG 3.97Å; E131-P159 HydrophobicContact CG-CG 3.52Å; T134-P159 WeakPolarHBondContact OG1-CB 3.24Å; T134-P159 WeakPolarHBondContact OG1-CG 3.4Å
160G92.3Very high92.6Very high63 Ų6337.6 Ų37.665%0.64920%0.204SC*.THydrogen-bonded Turntrans93.6-15.1-173.900000115.4P158P158-G160 PolarHBondContact O-N 3.19Å
161T94.9Very high92.9Very high77 Ų7736.8 Ų36.847%0.47220%0.2SC..SBendtrans-110.1109.8177-59.50000110.1Q156 A157 P158 V163Q156-T161 CarbonylContact C-O 3.58Å; Q156-T161 WeakPolarHBondContact CA-O 3.03Å; A157-T161 PolarHBondContact N-O 3.01Å; P158-T161 PolarHBondContact O-N 2.97Å; T161-V163 PolarHBondContact O-N 3.1Å
162I96.4Very high92.5Very high61 Ų6140 Ų4031%0.31322%0.221SC..EExtended strand (participates in β ladder)trans-70.4126.6178.5-60.2169.8000109.7E154 Q156 Y165 A182E154-I162 HydrophobicContact CG-CD1 4.37Å; E154-I162 HydrophobicContact CG-CG1 4.17Å; E154-I162 HydrophobicContact CG-CG2 4.3Å; Q156-I162 HydrophobicContact CG-CG1 4.19Å; I162-Y165 HydrophobicContact CG2-CE1 4.36Å; I162-Y165 HydrophobicContact CG2-CE2 3.79Å; I162-A182 WeakPolarHBondContact O-CB 3.32Å
163V96.1Very high92Very high15 Ų1544.9 Ų44.99%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-111.6-22.4177.9-64.90000113P56 I155 A157 T161 A182 T248P56-V163 HydrophobicContact CG-CG1 4.3Å; I155-V163 HydrophobicContact CB-CG2 4.16Å; I155-V163 HydrophobicContact CG2-CG2 3.82Å; I155-V163 WeakPolarHBondContact O-CG2 3.5Å; I155-V163 PolarHBondContact O-N 2.71Å; A157-V163 HydrophobicContact CB-CG1 4.03Å; A157-V163 HydrophobicContact CB-CG2 4Å; A157-V163 WeakPolarHBondContact O-CG1 3.25Å; T161-V163 PolarHBondContact O-N 3.1Å; V163-A182 PolarHBondContact O-N 3.27Å; V163-T248 HydrophobicContact CB-CG2 3.91Å; V163-T248 HydrophobicContact CG1-CG2 4.25Å; V163-T248 HydrophobicContact CG2-CG2 4.48Å
164G96.3Very high91.6Very high2 Ų247.4 Ų47.42%0.02126%0.255CS..EExtended strand (participates in β ladder)trans179.4-179.417800000114I155 Q180I155-G164 WeakPolarHBondContact CB-O 3.4Å; I155-G164 PolarHBondContact N-O 2.85Å; I155-G164 PolarHBondContact O-N 3.01Å; G164-Q180 CarbonylContact C-O 3.5Å; G164-Q180 WeakPolarHBondContact CA-O 3.35Å
165Y97.1Very high91.2Very high23 Ų2346.2 Ų46.29%0.0925%0.251CS..EExtended strand (participates in β ladder)trans-136.6156.9179.1-55.8-94.8000111L153 E154 I162 I179 Q180 N181 K184L153-Y165 CarbonylContact O-C 3.57Å; L153-Y165 WeakPolarHBondContact O-CA 3.46Å; L153-Y165 WeakPolarHBondContact O-CB 3.41Å; E154-Y165 HydrophobicContact CB-CD1 3.94Å; E154-Y165 HydrophobicContact CB-CE1 3.9Å; E154-Y165 HydrophobicContact CG-CD1 4.14Å; E154-Y165 HydrophobicContact CG-CE1 3.7Å; I162-Y165 HydrophobicContact CG2-CE1 4.36Å; I162-Y165 HydrophobicContact CG2-CE2 3.79Å; Y165-I179 WeakPolarHBondContact O-CA 3.44Å; Y165-Q180 PolarHBondContact N-O 2.87Å; Y165-Q180 PolarHBondContact O-N 3.48Å; Y165-N181 WeakPolarHBondContact CD2-O 3.35Å; Y165-K184 HydrophobicContact CD2-CG 3.79Å; Y165-K184 HydrophobicContact CE2-CG 3.66Å
166V96.8Very high91Very high0 Ų048 Ų480%026%0.259CS..EExtended strand (participates in β ladder)trans-120.9114.8165.8-177.50000107.8E152 L153 F177 T178 A252 A256E152-V166 CarbonylContact C-O 3.49Å; E152-V166 VanDerWaalsContact CA-O 3.28Å; E152-V166 WeakPolarHBondContact CA-O 3.5Å; L153-V166 HydrophobicContact CB-CB 4.17Å; L153-V166 HydrophobicContact CD1-CB 4.24Å; L153-V166 PolarHBondContact N-O 2.83Å; L153-V166 PolarHBondContact O-N 2.94Å; V166-F177 HydrophobicContact CG1-CB 4.27Å; V166-T178 WeakPolarHBondContact CA-O 3.23Å; V166-A252 HydrophobicContact CG2-CB 4.01Å; V166-A252 WeakPolarHBondContact CG2-O 3.3Å; V166-A256 HydrophobicContact CG1-CB 4.08Å; V166-A256 HydrophobicContact CG2-CB 4.26Å
167A93.5Very high90.9Very high9 Ų946.7 Ų46.77%0.07425%0.253CS..EExtended strand (participates in β ladder)trans-116.5128-176.400000111F177 T178A167-F177 CarbonylContact O-C 3.59Å; A167-F177 VanDerWaalsContact O-CA 3.29Å; A167-F177 WeakPolarHBondContact O-CA 3.19Å; A167-T178 PolarHBondContact N-O 3.36Å; A167-T178 PolarHBondContact O-N 3.41Å
168Q90.9Very high90.9Very high35 Ų3546.8 Ų46.816%0.16425%0.253CS..EExtended strand (participates in β ladder)trans-68.8139.2170.8-172.5-176.618.300109.9L150 Q151 F177L150-Q168 HydrophobicContact CB-CB 4.26Å; L150-Q168 WeakPolarHBondContact CD1-O 3.45Å; L150-Q168 HydrophobicContact CD2-CG 4.18Å; Q151-Q168 HydrophobicContact CB-CB 4.08Å; Q151-Q168 VanDerWaalsContact N-OE1 3.07Å; Q151-Q168 WeakPolarHBondContact O-CB 3.47Å; Q151-Q168 PolarHBondContact O-N 3.35Å; Q168-F177 HydrophobicContact CB-CD1 3.68Å; Q168-F177 HydrophobicContact CB-CE1 3.68Å; Q168-F177 HydrophobicContact CG-CD1 4.02Å; Q168-F177 HydrophobicContact CG-CE1 3.72Å; Q168-F177 HydrophobicContact CG-CZ 4.25Å
169K89.6Confident91.1Very high80 Ų8044.8 Ų44.835%0.34824%0.24SC..EExtended strand (participates in β ladder)trans-113.6135.3172.9-57.9-60.6-177.7-179.70108.4D171 K176 T178K169-D171 PolarHBondContact O-N 2.88Å; K169-K176 HydrophobicContact CB-CB 4.31Å; K169-K176 PolarHBondContact N-O 3.4Å; K169-T178 WeakPolarHBondContact CE-OG1 3.36Å; K169-T178 WeakPolarHBondContact CG-OG1 3.21Å
170W84.1Confident91.3Very high143 Ų14343.1 Ų43.154%0.54223%0.228SC..  trans-68.6130.8176.8-174.988.4000109.9C144 L150 P172C144-W170 PolarHBondContact O-NE1 3.08Å; L150-W170 HydrophobicContact CD1-CB 4.1Å; L150-W170 HydrophobicContact CD2-CB 4.35Å; W170-P172 HydrophobicContact CH2-CB 4Å; W170-P172 HydrophobicContact CH2-CG 4.32Å; W170-P172 HydrophobicContact CZ2-CB 4.36Å; W170-P172 HydrophobicContact CZ3-CG 4.45Å
171D83Confident91.5Very high36 Ų3641.8 Ų41.819%0.19321%0.206CC..  trans-148.9138173.6180-67000107.5K169 F173 L174 K176K169-D171 PolarHBondContact O-N 2.88Å; D171-F173 VanDerWaalsContact C-N 3.27Å; D171-F173 PolarHBondContact O-N 3.46Å; D171-F173 PolarHBondContact OD1-N 3.2Å; D171-L174 WeakPolarHBondContact CB-O 3.31Å; D171-L174 PolarHBondContact OD1-N 3.11Å; D171-K176 HydrophobicContact CB-CB 4.47Å; D171-K176 HydrophobicContact CB-CD 3.91Å; D171-K176 HydrophobicContact CB-CG 4.13Å; D171-K176 WeakPolarHBondContact OD2-CD 3.47Å; D171-K176 WeakPolarHBondContact OD2-CE 3.36Å; D171-K176 IonicContact OD2-NZ 3.02Å; D171-K176 PolarHBondContact OD2-NZ 2.95Å
172P76.4Confident91.4Very high70 Ų7040.3 Ų40.346%0.45520%0.202SC..SBendtrans-71.2-17.1-171.325.1-33.1000114.5W170W170-P172 HydrophobicContact CH2-CB 4Å; W170-P172 HydrophobicContact CH2-CG 4.32Å; W170-P172 HydrophobicContact CZ2-CB 4.36Å; W170-P172 HydrophobicContact CZ3-CG 4.45Å
173F79.1Confident91.4Very high153 Ų15343.3 Ų43.367%0.67122%0.219SC*.SBendtrans-127.1-32.2-172.1-57.4-66.8000113.6D171 C194D171-F173 VanDerWaalsContact C-N 3.27Å; D171-F173 PolarHBondContact O-N 3.46Å; D171-F173 PolarHBondContact OD1-N 3.2Å; F173-C194 PolarHBondContact O-SG 3.03Å
174L84.2Confident91.3Very high57 Ų5746.9 Ų46.930%0.29823%0.233SC..SBendtrans-120.4137.5-173.3-61.2177.4000111.2D171 K176 V191 C194D171-L174 WeakPolarHBondContact CB-O 3.31Å; D171-L174 PolarHBondContact OD1-N 3.11Å; L174-K176 HydrophobicContact CB-CG 4.37Å; L174-K176 PolarHBondContact O-N 3.29Å; L174-K176 VanDerWaalsContact O-N 3.12Å; L174-V191 HydrophobicContact CB-CG1 4.48Å; L174-V191 HydrophobicContact CD1-CG1 3.95Å; L174-C194 HydrophobicContact CD2-CB 3.77Å
175P87.7Confident91.3Very high22 Ų2252.3 Ų52.314%0.14326%0.258CS..  trans-68.9112.2167.429.1-31.4000109F177 G192 P193 F264P175-F177 HydrophobicContact CB-CE2 4.06Å; P175-G192 PolarHBondContact O-N 3.4Å; P175-P193 WeakPolarHBondContact CD-O 3.3Å; P175-F264 HydrophobicContact CB-CE1 4.46Å; P175-F264 HydrophobicContact CB-CZ 3.82Å; P175-F264 HydrophobicContact CG-CZ 4.34Å
176K91.8Very high91.3Very high39 Ų3954.2 Ų54.217%0.1727%0.27CS..EExtended strand (participates in β ladder)trans-112.7137.9178.9-70.6-172.5177.6168.80111.3K169 D171 L174 E212K169-K176 HydrophobicContact CB-CB 4.31Å; K169-K176 PolarHBondContact N-O 3.4Å; D171-K176 HydrophobicContact CB-CB 4.47Å; D171-K176 HydrophobicContact CB-CD 3.91Å; D171-K176 HydrophobicContact CB-CG 4.13Å; D171-K176 WeakPolarHBondContact OD2-CD 3.47Å; D171-K176 WeakPolarHBondContact OD2-CE 3.36Å; D171-K176 IonicContact OD2-NZ 3.02Å; D171-K176 PolarHBondContact OD2-NZ 2.95Å; L174-K176 HydrophobicContact CB-CG 4.37Å; L174-K176 PolarHBondContact O-N 3.29Å; L174-K176 VanDerWaalsContact O-N 3.12Å; K176-E212 IonicContact NZ-OE2 2.85Å
177F94.9Very high91.3Very high1 Ų157 Ų570%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-133.9158.4174.1-53.2-99.9000109.8V166 A167 Q168 P175 K189 I190 L259 F260 M263 F264V166-F177 HydrophobicContact CG1-CB 4.27Å; A167-F177 CarbonylContact O-C 3.59Å; A167-F177 VanDerWaalsContact O-CA 3.29Å; A167-F177 WeakPolarHBondContact O-CA 3.19Å; Q168-F177 HydrophobicContact CB-CD1 3.68Å; Q168-F177 HydrophobicContact CB-CE1 3.68Å; Q168-F177 HydrophobicContact CG-CD1 4.02Å; Q168-F177 HydrophobicContact CG-CE1 3.72Å; Q168-F177 HydrophobicContact CG-CZ 4.25Å; P175-F177 HydrophobicContact CB-CE2 4.06Å; F177-K189 CarbonylContact O-C 3.52Å; F177-K189 WeakPolarHBondContact O-CA 3.45Å; F177-I190 HydrophobicContact CB-CB 4.23Å; F177-I190 PolarHBondContact N-O 3.18Å; F177-I190 PolarHBondContact O-N 3.39Å; F177-L259 HydrophobicContact CD1-CD2 4.1Å; F177-L259 HydrophobicContact CE1-CD2 3.79Å; F177-F260 HydrophobicContact CD1-CE1 4.1Å; F177-F260 AromaticContact CD2-CE1 3.5Å; F177-F260 HydrophobicContact CD2-CE1 3.5Å; F177-F260 VanDerWaalsContact CD2-CE1 3.5Å; F177-F260 AromaticContact CD2-CZ 3.82Å; F177-F260 HydrophobicContact CD2-CZ 3.82Å; F177-F260 AromaticContact CE1-CE1 3.98Å; F177-F260 HydrophobicContact CE1-CE1 3.98Å; F177-F260 HydrophobicContact CE2-CD1 4.08Å; F177-F260 AromaticContact CE2-CE1 3.36Å; F177-F260 HydrophobicContact CE2-CE1 3.36Å; F177-F260 HydrophobicContact CE2-CZ 4.06Å; F177-F260 AromaticContact CG-CE1 3.88Å; F177-F260 HydrophobicContact CG-CE1 3.88Å; F177-F260 HydrophobicContact CG-CZ 4.26Å; F177-F260 HydrophobicContact CZ-CD1 4.08Å; F177-F260 AromaticContact CZ-CE1 3.63Å; F177-F260 HydrophobicContact CZ-CE1 3.63Å; F177-M263 HydrophobicContact CE1-CE 4.34Å; F177-M263 HydrophobicContact CE1-SD 3.87Å; F177-M263 HydrophobicContact CZ-CE 4.08Å; F177-M263 HydrophobicContact CZ-SD 3.84Å; F177-F264 HydrophobicContact CE2-CE2 4.4Å; F177-F264 HydrophobicContact CZ-CE2 4.24Å; F177-F264 HydrophobicContact CZ-CZ 4.34Å
178T96.8Very high91.5Very high3 Ų357.2 Ų57.22%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-127.8130.6178.3-58.80000109.3V166 A167 K169 Q180 D186 L188V166-T178 WeakPolarHBondContact CA-O 3.23Å; A167-T178 PolarHBondContact N-O 3.36Å; A167-T178 PolarHBondContact O-N 3.41Å; K169-T178 WeakPolarHBondContact CE-OG1 3.36Å; K169-T178 WeakPolarHBondContact CG-OG1 3.21Å; T178-Q180 HydrophobicContact CG2-CG 4.05Å; T178-D186 HydrophobicContact CG2-CB 3.72Å; T178-D186 WeakPolarHBondContact CG2-OD1 3.28Å; T178-L188 CarbonylContact C-O 3.53Å; T178-L188 WeakPolarHBondContact CA-O 3.37Å; T178-L188 WeakPolarHBondContact CG2-O 3.4Å
179I97.8Very high91.8Very high2 Ų257.8 Ų57.81%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-85.5125.9167.8-60.4171000107.4Y165 I187 L188 I190 V249 A252 M253Y165-I179 WeakPolarHBondContact O-CA 3.44Å; I179-I187 PolarHBondContact O-N 2.86Å; I179-L188 HydrophobicContact CB-CB 4.32Å; I179-L188 HydrophobicContact CD1-CB 4.28Å; I179-L188 HydrophobicContact CD1-CD1 4.42Å; I179-L188 PolarHBondContact N-O 3.21Å; I179-L188 PolarHBondContact O-N 2.9Å; I179-I190 HydrophobicContact CD1-CD1 4.02Å; I179-I190 HydrophobicContact CD1-CG1 4.19Å; I179-I190 HydrophobicContact CG1-CD1 3.96Å; I179-I190 HydrophobicContact CG1-CG1 4.26Å; I179-V249 HydrophobicContact CD1-CG1 4.15Å; I179-V249 HydrophobicContact CG2-CG1 4.46Å; I179-A252 HydrophobicContact CG2-CB 3.81Å; I179-M253 HydrophobicContact CD1-CG 3.54Å; I179-M253 HydrophobicContact CD1-SD 4.26Å
180Q97.6Very high92.1Very high15 Ų1554 Ų547%0.0727%0.269CS..EExtended strand (participates in β ladder)trans-119.2149.9-179.7-49.7-175.7-51.100110.6G164 Y165 T178 K184 E185 D186G164-Q180 CarbonylContact C-O 3.5Å; G164-Q180 WeakPolarHBondContact CA-O 3.35Å; Y165-Q180 PolarHBondContact N-O 2.87Å; Y165-Q180 PolarHBondContact O-N 3.48Å; T178-Q180 HydrophobicContact CG2-CG 4.05Å; Q180-K184 PolarHBondContact NE2-O 3.29Å; Q180-E185 CarbonylContact C-O 3.47Å; Q180-E185 WeakPolarHBondContact CA-O 3.4Å; Q180-D186 PolarHBondContact NE2-OD1 3.29Å
181N95.8Very high92.6Very high34 Ų3447.9 Ų47.918%0.18225%0.247CC..EExtended strand (participates in β ladder)trans-77.2-178.7172.469.112.5000111.8Y165 N183 K184 E185 I187Y165-N181 WeakPolarHBondContact CD2-O 3.35Å; N181-N183 PolarHBondContact O-N 2.99Å; N181-N183 VanDerWaalsContact O-N 3.14Å; N181-N183 WeakPolarHBondContact OD1-CA 3.48Å; N181-N183 WeakPolarHBondContact OD1-CB 3.47Å; N181-N183 PolarHBondContact OD1-N 2.8Å; N181-K184 PolarHBondContact O-N 3.44Å; N181-K184 PolarHBondContact OD1-N 2.85Å; N181-E185 PolarHBondContact N-O 3.44Å; N181-E185 PolarHBondContact ND2-OE2 3.21Å; N181-E185 WeakPolarHBondContact OD1-CB 3.15Å; N181-E185 PolarHBondContact OD1-N 2.96Å; N181-I187 HydrophobicContact CB-CD1 3.62Å; N181-I187 HydrophobicContact CB-CG1 4.14Å
182A94.7Very high92.9Very high46 Ų4646.4 Ų46.438%0.3824%0.241SC..THydrogen-bonded Turntrans-56.5-27.1177.200000114.1I162 V163 K184I162-A182 WeakPolarHBondContact O-CB 3.32Å; V163-A182 PolarHBondContact O-N 3.27Å; A182-K184 VanDerWaalsContact C-N 3.28Å; A182-K184 PolarHBondContact O-N 2.83Å
183N95.3Very high93.3Very high125 Ų12545.9 Ų45.967%0.66824%0.237SC*.THydrogen-bonded Turntrans-86.36.1176.8-59-35.1000113.2N181 E185N181-N183 PolarHBondContact O-N 2.99Å; N181-N183 VanDerWaalsContact O-N 3.14Å; N181-N183 WeakPolarHBondContact OD1-CA 3.48Å; N181-N183 WeakPolarHBondContact OD1-CB 3.47Å; N181-N183 PolarHBondContact OD1-N 2.8Å; N183-E185 HydrophobicContact CB-CG 4.08Å; N183-E185 PolarHBondContact O-N 3.12Å
184K94.7Very high93Very high89 Ų8940.7 Ų40.739%0.38722%0.219SC..  trans61.224.6-172.5-65.1-177.8172.1-88.70114.2E152 Y165 Q180 N181 A182E152-K184 IonicContact OE1-NZ 3.74Å; E152-K184 IonicContact OE2-NZ 3.42Å; E152-K184 PolarHBondContact OE2-NZ 3.21Å; Y165-K184 HydrophobicContact CD2-CG 3.79Å; Y165-K184 HydrophobicContact CE2-CG 3.66Å; Q180-K184 PolarHBondContact NE2-O 3.29Å; N181-K184 PolarHBondContact O-N 3.44Å; N181-K184 PolarHBondContact OD1-N 2.85Å; A182-K184 VanDerWaalsContact C-N 3.28Å; A182-K184 PolarHBondContact O-N 2.83Å
185E96.5Very high91.7Very high116 Ų11642.3 Ų42.354%0.54224%0.241SC..  trans-81.5133.5171.3-56.8171.5143.800109.7Q180 N181 N183 I187Q180-E185 CarbonylContact C-O 3.47Å; Q180-E185 WeakPolarHBondContact CA-O 3.4Å; N181-E185 PolarHBondContact N-O 3.44Å; N181-E185 PolarHBondContact ND2-OE2 3.21Å; N181-E185 WeakPolarHBondContact OD1-CB 3.15Å; N181-E185 PolarHBondContact OD1-N 2.96Å; N183-E185 HydrophobicContact CB-CG 4.08Å; N183-E185 PolarHBondContact O-N 3.12Å; E185-I187 PolarHBondContact O-N 3.15Å
186D96.9Very high89.6Confident64 Ų6447.4 Ų47.434%0.34227%0.272SS..EExtended strand (participates in β ladder)trans-68.6123.1-179.4-68.6-2.6000110.4T178 Q180 I210T178-D186 HydrophobicContact CG2-CB 3.72Å; T178-D186 WeakPolarHBondContact CG2-OD1 3.28Å; Q180-D186 PolarHBondContact NE2-OD1 3.29Å; D186-I210 WeakPolarHBondContact O-CD1 3.5Å
187I96.3Very high87.5Confident58 Ų5850 Ų5030%0.29729%0.294SS..EExtended strand (participates in β ladder)trans-102.6-49.3178.6-54.5175.1000110.2I179 N181 E185 I210 V249I179-I187 PolarHBondContact O-N 2.86Å; N181-I187 HydrophobicContact CB-CD1 3.62Å; N181-I187 HydrophobicContact CB-CG1 4.14Å; E185-I187 PolarHBondContact O-N 3.15Å; I187-I210 WeakPolarHBondContact O-CG1 3.17Å; I187-V249 HydrophobicContact CD1-CG2 4.06Å; I187-V249 HydrophobicContact CG2-CG2 4.21Å
188L97.3Very high85.1Confident13 Ų1353.7 Ų53.77%0.06833%0.333CS..EExtended strand (participates in β ladder)trans-145.8160.2-172.9-66.7166.4000110.7T178 I179 V207 K208 I216 L245 V249T178-L188 CarbonylContact C-O 3.53Å; T178-L188 WeakPolarHBondContact CA-O 3.37Å; T178-L188 WeakPolarHBondContact CG2-O 3.4Å; I179-L188 HydrophobicContact CB-CB 4.32Å; I179-L188 HydrophobicContact CD1-CB 4.28Å; I179-L188 HydrophobicContact CD1-CD1 4.42Å; I179-L188 PolarHBondContact N-O 3.21Å; I179-L188 PolarHBondContact O-N 2.9Å; L188-V207 HydrophobicContact CB-CG1 4.29Å; L188-V207 HydrophobicContact CD1-CG1 4.15Å; L188-K208 WeakPolarHBondContact CD2-O 3.45Å; L188-I216 HydrophobicContact CD1-CD1 3.44Å; L188-I216 VanDerWaalsContact CD1-CD1 3.44Å; L188-I216 HydrophobicContact CD2-CD1 3.5Å; L188-I216 HydrophobicContact CD2-CG1 4.22Å; L188-I216 HydrophobicContact CG-CD1 4.07Å; L188-L245 HydrophobicContact CD1-CD1 4.42Å; L188-V249 HydrophobicContact CD1-CG1 3.5Å; L188-V249 VanDerWaalsContact CD1-CG1 3.5Å
189K96.9Very high82.7Confident48 Ų4858 Ų5821%0.20936%0.362CS..EExtended strand (participates in β ladder)trans-114.7144.9174.7-72.3177.7172174.70110.5F177 V207 K208 I210 E212F177-K189 CarbonylContact O-C 3.52Å; F177-K189 WeakPolarHBondContact O-CA 3.45Å; K189-V207 CarbonylContact O-C 3.53Å; K189-V207 WeakPolarHBondContact O-CA 3.33Å; K189-K208 PolarHBondContact N-O 2.97Å; K189-K208 PolarHBondContact O-N 3.38Å; K189-I210 WeakPolarHBondContact CD-O 3.44Å; K189-I210 VanDerWaalsContact CE-O 3.23Å; K189-I210 WeakPolarHBondContact CE-O 3.45Å; K189-I210 PolarHBondContact NZ-O 3.42Å; K189-E212 HydrophobicContact CD-CG 3.52Å; K189-E212 WeakPolarHBondContact CD-OE1 3.41Å; K189-E212 IonicContact NZ-OE1 2.74Å; K189-E212 PolarHBondContact NZ-OE1 2.89Å
190I96.7Very high80.4Confident0 Ų068.3 Ų68.30%041%0.407CS..EExtended strand (participates in β ladder)trans-114123.9170.1-51.3168000107.1F177 I179 F205 E206 V207 I219 A256 F260F177-I190 HydrophobicContact CB-CB 4.23Å; F177-I190 PolarHBondContact N-O 3.18Å; F177-I190 PolarHBondContact O-N 3.39Å; I179-I190 HydrophobicContact CD1-CD1 4.02Å; I179-I190 HydrophobicContact CD1-CG1 4.19Å; I179-I190 HydrophobicContact CG1-CD1 3.96Å; I179-I190 HydrophobicContact CG1-CG1 4.26Å; I190-F205 HydrophobicContact CG2-CB 3.74Å; I190-F205 HydrophobicContact CG2-CD1 4.48Å; I190-E206 CarbonylContact C-O 3.44Å; I190-E206 WeakPolarHBondContact CA-O 3.39Å; I190-V207 HydrophobicContact CG1-CG2 4.18Å; I190-I219 HydrophobicContact CD1-CD1 4.16Å; I190-A256 HydrophobicContact CD1-CB 3.78Å; I190-F260 HydrophobicContact CB-CZ 4.4Å; I190-F260 HydrophobicContact CD1-CZ 4.11Å; I190-F260 HydrophobicContact CG2-CE2 3.93Å; I190-F260 HydrophobicContact CG2-CZ 3.75Å
191V94.2Very high78.8Confident14 Ų1469.3 Ų69.39%0.08542%0.421CS..EExtended strand (participates in β ladder)trans-119.1113.1-178.1-175.30000108.2L174 F205 E206 K208L174-V191 HydrophobicContact CB-CG1 4.48Å; L174-V191 HydrophobicContact CD1-CG1 3.95Å; V191-F205 CarbonylContact O-C 3.58Å; V191-F205 WeakPolarHBondContact O-CA 3.25Å; V191-E206 PolarHBondContact N-O 2.89Å; V191-E206 PolarHBondContact O-N 2.82Å; V191-K208 HydrophobicContact CG2-CD 4.33Å
192G89.1Confident77.5Confident5 Ų570.7 Ų70.75%0.05243%0.428CS..  trans-86.7175.4175.900000113.3P175P175-G192 PolarHBondContact O-N 3.4Å
193P84.8Confident77Confident60 Ų6069.2 Ų69.239%0.3941%0.414SS..  trans-74.8158-177.827.9-25.9000111.5P175 A195 V203 N204P175-P193 WeakPolarHBondContact CD-O 3.3Å; P193-A195 PolarHBondContact O-N 3.15Å; P193-V203 HydrophobicContact CG-CG1 3.54Å; P193-N204 WeakPolarHBondContact CD-O 3.27Å
194C73.1Confident76.7Confident43 Ų4366.7 Ų66.729%0.29140%0.401SS..  trans-64.5124.6179-167.50000110.9F173 L174 T196 C197F173-C194 PolarHBondContact O-SG 3.03Å; L174-C194 HydrophobicContact CD2-CB 3.77Å; C194-T196 PolarHBondContact O-N 3.32Å; C194-T196 VanDerWaalsContact O-N 3.09Å; C194-T196 PolarHBondContact SG-OG1 2.76Å; C194-C197 PolarHBondContact O-N 3.41Å
195A57.5Low76.5Confident92 Ų9262.6 Ų62.676%0.7638%0.383SS*.THydrogen-bonded Turntrans-64.8-13.2-176.600000114P193P193-A195 PolarHBondContact O-N 3.15Å
196T43.6Very low76.5Confident128 Ų12861 Ų6179%0.78538%0.376SS*.THydrogen-bonded Turntrans-88.2-2.9179.556.70000114.3C194C194-T196 PolarHBondContact O-N 3.32Å; C194-T196 VanDerWaalsContact O-N 3.09Å; C194-T196 PolarHBondContact SG-OG1 2.76Å
197C47.4Very low76.5Confident94 Ų9457.9 Ų57.964%0.63536%0.359SS*.SBendtrans-94.2111.9173.2-100.20000110.5C194 C199C194-C197 PolarHBondContact O-N 3.41Å; C197-C199 PolarHBondContact O-N 3.1Å; C197-C199 PolarHBondContact O-SG 2.9Å
198G44.4Very low76.5Confident79 Ų7956.9 Ų56.981%0.81435%0.353SS*.  trans-49.7126179.700000113F200G198-F200 PolarHBondContact O-N 3.15Å
199C46.1Very low76.5Confident93 Ų9357.9 Ų57.963%0.62836%0.359SS*.  trans-89.8103.5-170.2-54.60000111.9C197C197-C199 PolarHBondContact O-N 3.1Å; C197-C199 PolarHBondContact O-SG 2.9Å
200F49.3Very low76.3Confident219 Ų21959.7 Ų59.796%0.96137%0.37SS*.  trans-127.789.4154.5-70.5-78.4000107.5G198G198-F200 PolarHBondContact O-N 3.15Å
201G63.4Low76.2Confident35 Ų3564.3 Ų64.336%0.36140%0.395SS..SBendtrans151.6172.6178.200000114.6W223G201-W223 VanDerWaalsContact C-CD1 3.43Å; G201-W223 PolarHBondContact O-NE1 2.74Å; G201-W223 VanDerWaalsContact O-NE1 3.11Å
202D69.8Low76Confident63 Ų6366.9 Ų66.934%0.33741%0.406SS..  trans-55.2135.5178.5-64.4-16.9000112K221 Y222 W223D202-K221 WeakPolarHBondContact CA-O 3.07Å; D202-Y222 WeakPolarHBondContact OD1-CA 3.48Å; D202-Y222 WeakPolarHBondContact OD2-CD1 3.21Å; D202-W223 PolarHBondContact OD1-N 2.89Å
203V82.9Confident76.2Confident15 Ų1575.2 Ų75.29%0.09144%0.441CS..EExtended strand (participates in β ladder)trans-102.1120.8-177.3-174.30000109.3P193 F205 S220 K221 F265P193-V203 HydrophobicContact CG-CG1 3.54Å; V203-F205 HydrophobicContact CB-CE2 4.5Å; V203-F205 HydrophobicContact CG1-CD2 4.28Å; V203-F205 HydrophobicContact CG1-CE2 3.61Å; V203-F205 HydrophobicContact CG1-CZ 4.12Å; V203-S220 CarbonylContact O-C 3.47Å; V203-S220 VanDerWaalsContact O-CA 3.29Å; V203-S220 WeakPolarHBondContact O-CA 3.29Å; V203-K221 HydrophobicContact CB-CB 4.45Å; V203-K221 PolarHBondContact N-O 3.37Å; V203-K221 PolarHBondContact O-N 2.96Å; V203-F265 HydrophobicContact CB-CE1 4.42Å; V203-F265 HydrophobicContact CB-CZ 3.89Å; V203-F265 HydrophobicContact CG1-CZ 4.02Å; V203-F265 HydrophobicContact CG2-CE1 3.88Å; V203-F265 HydrophobicContact CG2-CZ 3.85Å
204N88.8Confident76.7Confident72 Ų7277.5 Ų77.539%0.38545%0.45SS..EExtended strand (participates in β ladder)trans-109.5126-178.4-66.6-50.1000111.7P193 S220P193-N204 WeakPolarHBondContact CD-O 3.27Å; N204-S220 WeakPolarHBondContact OD1-CB 3.37Å; N204-S220 PolarHBondContact OD1-OG 3Å
205F92.5Very high77.8Confident3 Ų378.7 Ų78.71%0.01346%0.456CS..EExtended strand (participates in β ladder)trans-107.2114.9168.8-62.5-100.9000108.6I190 V191 V203 K218 I219 F260 F264 F265I190-F205 HydrophobicContact CG2-CB 3.74Å; I190-F205 HydrophobicContact CG2-CD1 4.48Å; V191-F205 CarbonylContact O-C 3.58Å; V191-F205 WeakPolarHBondContact O-CA 3.25Å; V203-F205 HydrophobicContact CB-CE2 4.5Å; V203-F205 HydrophobicContact CG1-CD2 4.28Å; V203-F205 HydrophobicContact CG1-CE2 3.61Å; V203-F205 HydrophobicContact CG1-CZ 4.12Å; F205-K218 CarbonylContact O-C 3.56Å; F205-K218 VanDerWaalsContact O-CA 3.27Å; F205-K218 WeakPolarHBondContact O-CA 3.07Å; F205-I219 HydrophobicContact CB-CB 4.17Å; F205-I219 PolarHBondContact N-O 2.82Å; F205-I219 PolarHBondContact O-N 2.93Å; F205-F260 HydrophobicContact CB-CE2 4.01Å; F205-F260 AromaticContact CD1-CD2 3.98Å; F205-F260 HydrophobicContact CD1-CD2 3.98Å; F205-F260 AromaticContact CD1-CE2 3.73Å; F205-F260 HydrophobicContact CD1-CE2 3.73Å; F205-F260 HydrophobicContact CD1-CG 4.49Å; F205-F260 HydrophobicContact CD1-CZ 4.05Å; F205-F260 AromaticContact CD2-CD2 3.9Å; F205-F260 HydrophobicContact CD2-CD2 3.9Å; F205-F260 HydrophobicContact CD2-CE2 4.2Å; F205-F260 HydrophobicContact CE1-CD1 4.4Å; F205-F260 HydrophobicContact CE1-CD2 4.11Å; F205-F260 HydrophobicContact CE1-CE2 4.24Å; F205-F260 HydrophobicContact CE1-CG 4.2Å; F205-F260 HydrophobicContact CE1-CZ 4.46Å; F205-F260 HydrophobicContact CE2-CB 4.46Å; F205-F260 HydrophobicContact CE2-CD2 4.03Å; F205-F260 HydrophobicContact CE2-CG 4.38Å; F205-F260 AromaticContact CG-CD2 3.89Å; F205-F260 HydrophobicContact CG-CD2 3.89Å; F205-F260 AromaticContact CG-CE2 3.73Å; F205-F260 HydrophobicContact CG-CE2 3.73Å; F205-F260 HydrophobicContact CG-CZ 4.47Å; F205-F260 HydrophobicContact CZ-CB 4.33Å; F205-F260 HydrophobicContact CZ-CD2 4.14Å; F205-F260 HydrophobicContact CZ-CG 4.15Å; F205-F264 HydrophobicContact CE1-CD2 4.25Å; F205-F264 AromaticContact CE1-CE2 3.85Å; F205-F264 HydrophobicContact CE1-CE2 3.85Å; F205-F264 AromaticContact CZ-CD2 3.79Å; F205-F264 HydrophobicContact CZ-CD2 3.79Å; F205-F264 AromaticContact CZ-CE2 3.89Å; F205-F264 HydrophobicContact CZ-CE2 3.89Å; F205-F265 HydrophobicContact CE2-CE2 4.42Å
206E95.4Very high79.6Confident82 Ų8276.2 Ų76.238%0.38343%0.429SS..EExtended strand (participates in β ladder)trans-82.5130.7-177.2-63.3-175.6161.900110.7I190 V191 K208 T215I190-E206 CarbonylContact C-O 3.44Å; I190-E206 WeakPolarHBondContact CA-O 3.39Å; V191-E206 PolarHBondContact N-O 2.89Å; V191-E206 PolarHBondContact O-N 2.82Å; E206-K208 HydrophobicContact CB-CG 4.35Å; E206-K208 WeakPolarHBondContact OE2-CE 3.44Å; E206-K208 IonicContact OE2-NZ 3.55Å; E206-K208 PolarHBondContact OE2-NZ 2.83Å; E206-T215 HydrophobicContact CB-CG2 4.28Å
207V96.8Very high82Confident0 Ų070.7 Ų70.70%040%0.397CS..EExtended strand (participates in β ladder)trans-95.6120173.1-172.40000108.9L188 K189 I190 T215 I216 G217 I219 M253L188-V207 HydrophobicContact CB-CG1 4.29Å; L188-V207 HydrophobicContact CD1-CG1 4.15Å; K189-V207 CarbonylContact O-C 3.53Å; K189-V207 WeakPolarHBondContact O-CA 3.33Å; I190-V207 HydrophobicContact CG1-CG2 4.18Å; V207-T215 CarbonylContact O-C 3.53Å; V207-T215 WeakPolarHBondContact O-CA 3.49Å; V207-I216 HydrophobicContact CB-CG1 4.13Å; V207-I216 HydrophobicContact CG1-CD1 3.83Å; V207-I216 HydrophobicContact CG1-CG1 3.77Å; V207-I216 VanDerWaalsContact O-CG1 3.29Å; V207-I216 WeakPolarHBondContact O-CG1 3.49Å; V207-I216 PolarHBondContact O-N 3.41Å; V207-G217 PolarHBondContact N-O 3Å; V207-G217 PolarHBondContact O-N 2.71Å; V207-I219 HydrophobicContact CG2-CG1 4.43Å; V207-M253 HydrophobicContact CB-CE 4.28Å; V207-M253 HydrophobicContact CG1-CE 4.35Å; V207-M253 HydrophobicContact CG1-SD 4.45Å; V207-M253 HydrophobicContact CG2-CE 3.49Å; V207-M253 VanDerWaalsContact CG2-CE 3.49Å
208K96.8Very high84.3Confident37 Ų3770 Ų7016%0.16138%0.383CS..EExtended strand (participates in β ladder)trans-125.3158.7-170.9-61.7-172.5176.7179.50112.3L188 K189 V191 E206 E212 L214 T215L188-K208 WeakPolarHBondContact CD2-O 3.45Å; K189-K208 PolarHBondContact N-O 2.97Å; K189-K208 PolarHBondContact O-N 3.38Å; V191-K208 HydrophobicContact CG2-CD 4.33Å; E206-K208 HydrophobicContact CB-CG 4.35Å; E206-K208 WeakPolarHBondContact OE2-CE 3.44Å; E206-K208 IonicContact OE2-NZ 3.55Å; E206-K208 PolarHBondContact OE2-NZ 2.83Å; K208-E212 HydrophobicContact CD-CB 4.41Å; K208-L214 CarbonylContact C-O 3.56Å; K208-L214 WeakPolarHBondContact CA-O 3.3Å; K208-T215 WeakPolarHBondContact CE-OG1 3.35Å
209T96Very high86.6Confident34 Ų3466.2 Ų66.221%0.20935%0.345CS..EExtended strand (participates in β ladder)trans-58.5159.4164.850.80000111.5N211 E212 L214 I216T209-N211 WeakPolarHBondContact CB-OD1 3.4Å; T209-N211 PolarHBondContact O-N 3.44Å; T209-N211 VanDerWaalsContact O-N 3.1Å; T209-N211 PolarHBondContact OG1-OD1 2.91Å; T209-E212 WeakPolarHBondContact O-CA 3.14Å; T209-E212 PolarHBondContact O-N 2.79Å; T209-L214 HydrophobicContact CG2-CB 3.92Å; T209-L214 HydrophobicContact CG2-CD2 4.31Å; T209-L214 HydrophobicContact CG2-CG 4.5Å; T209-L214 PolarHBondContact N-O 3.12Å; T209-L214 PolarHBondContact OG1-N 3.04Å; T209-L214 PolarHBondContact OG1-O 3.11Å; T209-I216 HydrophobicContact CG2-CG2 4.17Å
210I94.7Very high88.7Confident85 Ų8561.8 Ų61.844%0.43632%0.315SS..THydrogen-bonded Turntrans-54.7-34.6-177.7-56.6168.5000112.5D186 I187 K189 E212D186-I210 WeakPolarHBondContact O-CD1 3.5Å; I187-I210 WeakPolarHBondContact O-CG1 3.17Å; K189-I210 WeakPolarHBondContact CD-O 3.44Å; K189-I210 VanDerWaalsContact CE-O 3.23Å; K189-I210 WeakPolarHBondContact CE-O 3.45Å; K189-I210 PolarHBondContact NZ-O 3.42Å; I210-E212 PolarHBondContact O-N 2.75Å
211N92.9Very high90.4Very high97 Ų9751.7 Ų51.752%0.51927%0.27SS..THydrogen-bonded Turntrans-79.71.8177.467.16.7000114.3T209 K213T209-N211 WeakPolarHBondContact CB-OD1 3.4Å; T209-N211 PolarHBondContact O-N 3.44Å; T209-N211 VanDerWaalsContact O-N 3.1Å; T209-N211 PolarHBondContact OG1-OD1 2.91Å; N211-K213 HydrophobicContact CB-CG 4.35Å; N211-K213 PolarHBondContact O-N 2.85Å; N211-K213 VanDerWaalsContact O-N 3.09Å; N211-K213 WeakPolarHBondContact OD1-CB 3.46Å; N211-K213 PolarHBondContact OD1-N 3.1Å; N211-K213 VanDerWaalsContact OD1-N 3.11Å
212E91.6Very high91Very high69 Ų6951.1 Ų51.132%0.32226%0.258SS..SBendtrans59.914.4179.9-59.3176.3-147.500115K176 K189 K208 T209 I210K176-E212 IonicContact NZ-OE2 2.85Å; K189-E212 HydrophobicContact CD-CG 3.52Å; K189-E212 WeakPolarHBondContact CD-OE1 3.41Å; K189-E212 IonicContact NZ-OE1 2.74Å; K189-E212 PolarHBondContact NZ-OE1 2.89Å; K208-E212 HydrophobicContact CD-CB 4.41Å; T209-E212 WeakPolarHBondContact O-CA 3.14Å; T209-E212 PolarHBondContact O-N 2.79Å; I210-E212 PolarHBondContact O-N 2.75Å
213K91.9Very high90.7Very high179 Ų17952.2 Ų52.278%0.77826%0.257SS*.  trans-87.1-37.4-176.1-64.9-172.7-179.5-177.40114N211N211-K213 HydrophobicContact CB-CG 4.35Å; N211-K213 PolarHBondContact O-N 2.85Å; N211-K213 VanDerWaalsContact O-N 3.09Å; N211-K213 WeakPolarHBondContact OD1-CB 3.46Å; N211-K213 PolarHBondContact OD1-N 3.1Å; N211-K213 VanDerWaalsContact OD1-N 3.11Å
214L95Very high89.3Confident109 Ų10955.2 Ų55.257%0.57128%0.279SS*.  trans-115126.1-175.8179.467.1000109.7K208 T209 I216K208-L214 CarbonylContact C-O 3.56Å; K208-L214 WeakPolarHBondContact CA-O 3.3Å; T209-L214 HydrophobicContact CG2-CB 3.92Å; T209-L214 HydrophobicContact CG2-CD2 4.31Å; T209-L214 HydrophobicContact CG2-CG 4.5Å; T209-L214 PolarHBondContact N-O 3.12Å; T209-L214 PolarHBondContact OG1-N 3.04Å; T209-L214 PolarHBondContact OG1-O 3.11Å; L214-I216 HydrophobicContact CD2-CG2 4.39Å; L214-I216 HydrophobicContact CG-CG2 4.42Å
215T96.4Very high87.2Confident68 Ų6855.4 Ų55.442%0.41730%0.297SS..EExtended strand (participates in β ladder)trans-84.2120.5168.9-57.40000108.8E206 V207 K208 G217E206-T215 HydrophobicContact CB-CG2 4.28Å; V207-T215 CarbonylContact O-C 3.53Å; V207-T215 WeakPolarHBondContact O-CA 3.49Å; K208-T215 WeakPolarHBondContact CE-OG1 3.35Å; T215-G217 WeakPolarHBondContact CG2-O 3.23Å
216I95.1Very high84.7Confident40 Ų4064.5 Ų64.521%0.20534%0.337CS..EExtended strand (participates in β ladder)trans-97.6-20.8179.562.6152.3000112.4L188 V207 T209 L214 P242 L245L188-I216 HydrophobicContact CD1-CD1 3.44Å; L188-I216 VanDerWaalsContact CD1-CD1 3.44Å; L188-I216 HydrophobicContact CD2-CD1 3.5Å; L188-I216 HydrophobicContact CD2-CG1 4.22Å; L188-I216 HydrophobicContact CG-CD1 4.07Å; V207-I216 HydrophobicContact CB-CG1 4.13Å; V207-I216 HydrophobicContact CG1-CD1 3.83Å; V207-I216 HydrophobicContact CG1-CG1 3.77Å; V207-I216 VanDerWaalsContact O-CG1 3.29Å; V207-I216 WeakPolarHBondContact O-CG1 3.49Å; V207-I216 PolarHBondContact O-N 3.41Å; T209-I216 HydrophobicContact CG2-CG2 4.17Å; L214-I216 HydrophobicContact CD2-CG2 4.39Å; L214-I216 HydrophobicContact CG-CG2 4.42Å; I216-P242 VanDerWaalsContact O-CD 3.3Å; I216-P242 WeakPolarHBondContact O-CD 3.18Å; I216-L245 HydrophobicContact CD1-CD1 4.23Å; I216-L245 HydrophobicContact CD1-CD2 4.45Å
217G95.1Very high82.2Confident11 Ų1162.6 Ų62.611%0.11333%0.331CS..EExtended strand (participates in β ladder)trans-175.6-173.1-174.500000111.7V207 T215 H240V207-G217 PolarHBondContact N-O 3Å; V207-G217 PolarHBondContact O-N 2.71Å; T215-G217 WeakPolarHBondContact CG2-O 3.23Å; G217-H240 CarbonylContact C-O 3.52Å; G217-H240 WeakPolarHBondContact CA-O 3.07Å
218K94.6Very high79.7Confident80 Ų8069.7 Ų69.735%0.34837%0.369SS..EExtended strand (participates in β ladder)trans-152.6153.5178.561.3177-175.4174.70112.3F205 H240F205-K218 CarbonylContact O-C 3.56Å; F205-K218 VanDerWaalsContact O-CA 3.27Å; F205-K218 WeakPolarHBondContact O-CA 3.07Å; K218-H240 HydrophobicContact CG-CB 3.92Å; K218-H240 PolarHBondContact N-O 2.78Å; K218-H240 PolarHBondContact O-N 3.01Å
219I94Very high77.3Confident0 Ų074.8 Ų74.80%040%0.398CS..EExtended strand (participates in β ladder)trans-111.9121.6166.4-64.8167.8000106.6I190 F205 V207 F237 G238 I239 M253 A256 C257 F260I190-I219 HydrophobicContact CD1-CD1 4.16Å; F205-I219 HydrophobicContact CB-CB 4.17Å; F205-I219 PolarHBondContact N-O 2.82Å; F205-I219 PolarHBondContact O-N 2.93Å; V207-I219 HydrophobicContact CG2-CG1 4.43Å; I219-F237 HydrophobicContact CG2-CD1 4.39Å; I219-G238 CarbonylContact C-O 3.55Å; I219-G238 WeakPolarHBondContact CA-O 3.22Å; I219-I239 HydrophobicContact CG1-CG1 4.34Å; I219-I239 HydrophobicContact CG1-CG2 4.33Å; I219-M253 HydrophobicContact CD1-CB 4.33Å; I219-M253 HydrophobicContact CD1-CE 4.35Å; I219-M253 HydrophobicContact CG1-CE 4.12Å; I219-A256 HydrophobicContact CD1-CB 4.18Å; I219-C257 WeakPolarHBondContact CG2-SG 3.29Å; I219-F260 HydrophobicContact CB-CE2 4.49Å; I219-F260 HydrophobicContact CD1-CE2 3.9Å; I219-F260 HydrophobicContact CG2-CD2 4.07Å; I219-F260 HydrophobicContact CG2-CE2 4.28Å
220S89.4Confident75Confident0 Ų078.5 Ų78.50%042%0.42CS..EExtended strand (participates in β ladder)trans-120.6132.6-176.4-62.20000110.3V203 N204 F237 G238V203-S220 CarbonylContact O-C 3.47Å; V203-S220 VanDerWaalsContact O-CA 3.29Å; V203-S220 WeakPolarHBondContact O-CA 3.29Å; N204-S220 WeakPolarHBondContact OD1-CB 3.37Å; N204-S220 PolarHBondContact OD1-OG 3Å; S220-F237 CarbonylContact O-C 3.54Å; S220-F237 VanDerWaalsContact O-CA 3.25Å; S220-F237 WeakPolarHBondContact O-CA 3.46Å; S220-G238 PolarHBondContact N-O 2.81Å; S220-G238 PolarHBondContact O-N 2.78Å
221K84.6Confident72.8Confident6 Ų676.5 Ų76.53%0.02641%0.409CS..EExtended strand (participates in β ladder)trans-96.9122.7162.9-169.5-176.1-177.698.40108.7D202 V203 F237 D261 F265D202-K221 WeakPolarHBondContact CA-O 3.07Å; V203-K221 HydrophobicContact CB-CB 4.45Å; V203-K221 PolarHBondContact N-O 3.37Å; V203-K221 PolarHBondContact O-N 2.96Å; K221-F237 HydrophobicContact CB-CD1 3.92Å; K221-F237 HydrophobicContact CB-CE1 3.68Å; K221-F237 HydrophobicContact CB-CZ 4.17Å; K221-F237 HydrophobicContact CD-CE1 4.13Å; K221-F237 HydrophobicContact CD-CE2 4.29Å; K221-F237 HydrophobicContact CD-CZ 3.76Å; K221-F237 HydrophobicContact CG-CD1 4.29Å; K221-F237 HydrophobicContact CG-CE1 3.93Å; K221-F237 HydrophobicContact CG-CE2 4.22Å; K221-F237 HydrophobicContact CG-CZ 3.89Å; K221-D261 IonicContact NZ-OD1 2.75Å; K221-D261 PolarHBondContact NZ-OD1 2.75Å; K221-F265 HydrophobicContact CB-CE2 4.25Å; K221-F265 HydrophobicContact CB-CZ 4.06Å; K221-F265 HydrophobicContact CD-CB 4.15Å; K221-F265 HydrophobicContact CD-CD1 3.28Å; K221-F265 HydrophobicContact CD-CD2 3.46Å; K221-F265 VanDerWaalsContact CD-CD2 3.46Å; K221-F265 HydrophobicContact CD-CE1 3.33Å; K221-F265 HydrophobicContact CD-CE2 3.5Å; K221-F265 VanDerWaalsContact CD-CE2 3.5Å; K221-F265 HydrophobicContact CD-CG 3.34Å; K221-F265 HydrophobicContact CD-CZ 3.42Å; K221-F265 VanDerWaalsContact CD-CZ 3.42Å; K221-F265 VanDerWaalsContact CE-CD1 3.49Å; K221-F265 VanDerWaalsContact CE-CG 3.41Å; K221-F265 HydrophobicContact CG-CE2 4.47Å; K221-F265 HydrophobicContact CG-CZ 4.37Å
222Y76.8Confident70.3Confident24 Ų2475 Ų759%0.09440%0.403CS..EExtended strand (participates in β ladder)trans-93.4134.4177.9-57.1-74.8000110.6D202 F231 N236 H240D202-Y222 WeakPolarHBondContact OD1-CA 3.48Å; D202-Y222 WeakPolarHBondContact OD2-CD1 3.21Å; Y222-F231 HydrophobicContact CD2-CD1 4.3Å; Y222-F231 HydrophobicContact CE2-CD1 4.32Å; Y222-F231 HydrophobicContact CE2-CE1 4.25Å; Y222-N236 WeakPolarHBondContact CD2-O 3.38Å; Y222-N236 PolarHBondContact N-O 2.84Å; Y222-H240 PolarHBondContact OH-NE2 2.9Å; Y222-H240 VanDerWaalsContact OH-NE2 3.09Å
223W63.5Low68Low86 Ų8679.3 Ų79.333%0.32643%0.428SS..PPolyproline II helixtrans-90.6136.3171.7-72.686.5000110.7G201 D202 G225 F265G201-W223 VanDerWaalsContact C-CD1 3.43Å; G201-W223 PolarHBondContact O-NE1 2.74Å; G201-W223 VanDerWaalsContact O-NE1 3.11Å; D202-W223 PolarHBondContact OD1-N 2.89Å; W223-G225 PolarHBondContact O-N 3.4Å; W223-F265 HydrophobicContact CZ2-CD1 4.39Å; W223-F265 HydrophobicContact CZ2-CE1 4.49Å
224S53.2Low65.8Low78 Ų7871.8 Ų71.855%0.54540%0.399SS..THydrogen-bonded Turntrans-66.114.4-172.2270000115.8
225G44.4Very low63.9Low75 Ų7568.3 Ų68.377%0.77338%0.382SS*.THydrogen-bonded Turntrans-121-4.6-176.800000117.1W223W223-G225 PolarHBondContact O-N 3.4Å
226F39.9Very low62.9Low194 Ų19465.8 Ų65.885%0.85137%0.365SS*.SBendtrans-130.40.8-167.1-138.6-95.5000116.8
227V43Very low62.5Low43 Ų4364.2 Ų64.226%0.26136%0.357SS..  trans-112136.3-169.9-155.50000111.9F231 T232V227-F231 HydrophobicContact CB-CB 4.44Å; V227-F231 HydrophobicContact CG1-CB 4.25Å; V227-F231 HydrophobicContact CG1-CD2 4.17Å; V227-T232 WeakPolarHBondContact O-CG2 3.37Å
228N44.2Very low62.3Low148 Ų14863.7 Ų63.779%0.79135%0.352SS*.  trans-76.7121174.3-73.4-36.2000111.3V230N228-V230 PolarHBondContact O-N 3.13Å
229D47.3Very low62.3Low144 Ų14459.9 Ų59.977%0.7734%0.335SS*.SBendtrans54.8-5.2150.8-70-19.4000123.6
230V47.9Very low62.4Low112 Ų11262.7 Ų62.768%0.67935%0.348SS*.SBendtrans-116.2-26.3173-175.50000113.6N228N228-V230 PolarHBondContact O-N 3.13Å
231F47.7Very low62.7Low43 Ų4363.3 Ų63.319%0.18935%0.352CS..SBendtrans-112.511.7-174.1-65.6-81.6000113.4I69 Y222 V227 N233I69-F231 HydrophobicContact CD1-CE1 3.94Å; I69-F231 HydrophobicContact CG1-CE1 4.39Å; Y222-F231 HydrophobicContact CD2-CD1 4.3Å; Y222-F231 HydrophobicContact CE2-CD1 4.32Å; Y222-F231 HydrophobicContact CE2-CE1 4.25Å; V227-F231 HydrophobicContact CB-CB 4.44Å; V227-F231 HydrophobicContact CG1-CB 4.25Å; V227-F231 HydrophobicContact CG1-CD2 4.17Å; F231-N233 PolarHBondContact O-N 3.33Å; F231-N233 VanDerWaalsContact O-N 3.1Å
232T41.3Very low63.2Low66 Ų6665.3 Ų65.341%0.40537%0.366SS..THydrogen-bonded Turntrans-77.88.3-151.317.60000118.3V227V227-T232 WeakPolarHBondContact O-CG2 3.37Å
233N42.3Very low63.9Low160 Ų16066.2 Ų66.286%0.85638%0.378SS*.THydrogen-bonded Turntrans-142.214.2-172.2-1288000119.1F231F231-N233 PolarHBondContact O-N 3.33Å; F231-N233 VanDerWaalsContact O-N 3.1Å
234A45.1Very low65.2Low20 Ų2069.2 Ų69.217%0.16540%0.4CS..SBendtrans-165.6161.217000000112.4H71 N236H71-A234 WeakPolarHBondContact CD2-CB 3.29Å; H71-A234 WeakPolarHBondContact NE2-CB 3.1Å; A234-N236 VanDerWaalsContact C-N 3.34Å; A234-N236 VanDerWaalsContact O-CG 3.32Å; A234-N236 PolarHBondContact O-N 3.46Å; A234-N236 PolarHBondContact O-ND2 3.34Å
235D56.5Low67.2Low37 Ų3767 Ų6720%0.19838%0.382CS..  trans-59.490.3172.3-60.9-46.5000110.4
236N74Confident69.5Low15 Ų1566.7 Ų66.78%0.0836%0.363CS..EExtended strand (participates in β ladder)trans-106.7133.8-174.3-72.2-56.7000110.7I69 I70 H71 Y222 A234I69-N236 HydrophobicContact CG2-CB 4.45Å; I70-N236 WeakPolarHBondContact O-CA 3.39Å; H71-N236 WeakPolarHBondContact CA-OD1 3.4Å; H71-N236 VanDerWaalsContact CB-OD1 3.3Å; H71-N236 WeakPolarHBondContact CB-OD1 3.37Å; H71-N236 PolarHBondContact CD2-OD1 2.87Å; Y222-N236 WeakPolarHBondContact CD2-O 3.38Å; Y222-N236 PolarHBondContact N-O 2.84Å; A234-N236 VanDerWaalsContact C-N 3.34Å; A234-N236 VanDerWaalsContact O-CG 3.32Å; A234-N236 PolarHBondContact O-N 3.46Å; A234-N236 PolarHBondContact O-ND2 3.34Å
237F87.7Confident72.2Confident7 Ų757.7 Ų57.73%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-92.6141.3160.9-70-98.8000109.8I69 I70 I219 S220 K221 F260 D261 F265I69-F237 CarbonylContact C-O 3.52Å; I69-F237 WeakPolarHBondContact CA-O 3.41Å; I70-F237 HydrophobicContact CB-CB 4.26Å; I70-F237 PolarHBondContact N-O 2.9Å; I70-F237 PolarHBondContact O-N 2.91Å; I219-F237 HydrophobicContact CG2-CD1 4.39Å; S220-F237 CarbonylContact O-C 3.54Å; S220-F237 VanDerWaalsContact O-CA 3.25Å; S220-F237 WeakPolarHBondContact O-CA 3.46Å; K221-F237 HydrophobicContact CB-CD1 3.92Å; K221-F237 HydrophobicContact CB-CE1 3.68Å; K221-F237 HydrophobicContact CB-CZ 4.17Å; K221-F237 HydrophobicContact CD-CE1 4.13Å; K221-F237 HydrophobicContact CD-CE2 4.29Å; K221-F237 HydrophobicContact CD-CZ 3.76Å; K221-F237 HydrophobicContact CG-CD1 4.29Å; K221-F237 HydrophobicContact CG-CE1 3.93Å; K221-F237 HydrophobicContact CG-CE2 4.22Å; K221-F237 HydrophobicContact CG-CZ 3.89Å; F237-F260 HydrophobicContact CE1-CB 4.42Å; F237-D261 HydrophobicContact CE2-CB 3.7Å; F237-D261 VanDerWaalsContact CE2-OD1 3.27Å; F237-D261 WeakPolarHBondContact CE2-OD1 2.77Å; F237-D261 HydrophobicContact CZ-CB 3.69Å; F237-F265 HydrophobicContact CE1-CD2 4.27Å; F237-F265 HydrophobicContact CE1-CE2 4.07Å; F237-F265 AromaticContact CZ-CD2 3.8Å; F237-F265 HydrophobicContact CZ-CD2 3.8Å; F237-F265 HydrophobicContact CZ-CE2 4.07Å
238G91.4Very high74.7Confident0 Ų057 Ų570%032%0.319CS..EExtended strand (participates in β ladder)trans-121.8129.5171.600000111.3I219 S220I219-G238 CarbonylContact C-O 3.55Å; I219-G238 WeakPolarHBondContact CA-O 3.22Å; S220-G238 PolarHBondContact N-O 2.81Å; S220-G238 PolarHBondContact O-N 2.78Å
239I95.1Very high77.2Confident0 Ų050.1 Ų50.10%028%0.283CS..EExtended strand (participates in β ladder)trans-107.2112.3175-51.8177.9000107.7L67 I68 I70 I219 V241 M253 I254 C257L67-I239 WeakPolarHBondContact CA-O 3.48Å; L67-I239 WeakPolarHBondContact CD1-O 3.23Å; I68-I239 HydrophobicContact CB-CB 4.14Å; I68-I239 HydrophobicContact CB-CD1 4.36Å; I68-I239 HydrophobicContact CG2-CD1 4.46Å; I68-I239 PolarHBondContact N-O 3.15Å; I68-I239 PolarHBondContact O-N 2.88Å; I70-I239 HydrophobicContact CD1-CD1 4.19Å; I219-I239 HydrophobicContact CG1-CG1 4.34Å; I219-I239 HydrophobicContact CG1-CG2 4.33Å; I239-V241 HydrophobicContact CG2-CG1 4.16Å; I239-M253 HydrophobicContact CD1-CB 4.33Å; I239-M253 HydrophobicContact CG2-CB 4.18Å; I239-M253 HydrophobicContact CG2-CE 3.48Å; I239-M253 VanDerWaalsContact CG2-CE 3.48Å; I239-I254 HydrophobicContact CD1-CB 4.47Å; I239-I254 HydrophobicContact CD1-CG1 3.85Å; I239-C257 VanDerWaalsContact CG1-SG 3.52Å
240H95.2Very high79.5Confident59 Ų5943.2 Ų43.227%0.27325%0.246SC..EExtended strand (participates in β ladder)trans-106.7117.4177.8-68.8-99.8000109.5D66 G217 K218 Y222D66-H240 WeakPolarHBondContact O-CA 3.32Å; G217-H240 CarbonylContact C-O 3.52Å; G217-H240 WeakPolarHBondContact CA-O 3.07Å; K218-H240 HydrophobicContact CG-CB 3.92Å; K218-H240 PolarHBondContact N-O 2.78Å; K218-H240 PolarHBondContact O-N 3.01Å; Y222-H240 PolarHBondContact OH-NE2 2.9Å; Y222-H240 VanDerWaalsContact OH-NE2 3.09Å
241V94.9Very high81.9Confident12 Ų1237.9 Ų37.97%0.07321%0.214CC..  trans-148163.3-176.1-73.50000111.7D66 I239 L245 K250 M253D66-V241 CarbonylContact C-O 3.45Å; D66-V241 WeakPolarHBondContact CA-O 2.94Å; D66-V241 WeakPolarHBondContact CB-O 3.49Å; D66-V241 PolarHBondContact O-N 2.84Å; D66-V241 VanDerWaalsContact O-O 3.04Å; I239-V241 HydrophobicContact CG2-CG1 4.16Å; V241-L245 HydrophobicContact CB-CD2 3.8Å; V241-L245 HydrophobicContact CG1-CD2 3.75Å; V241-L245 HydrophobicContact CG2-CD2 4.35Å; V241-K250 HydrophobicContact CG2-CD 4.35Å; V241-K250 HydrophobicContact CG2-CG 4.29Å; V241-M253 HydrophobicContact CG1-CE 3.18Å; V241-M253 HydrophobicContact CG1-SD 3.68Å
242P94.9Very high84.2Confident49 Ų4935.9 Ų35.932%0.31821%0.205SC..  trans-62.8141.3171-21.435.3000111.3I216 D244 L245 K250I216-P242 VanDerWaalsContact O-CD 3.3Å; I216-P242 WeakPolarHBondContact O-CD 3.18Å; P242-D244 WeakPolarHBondContact CB-OD1 3.34Å; P242-D244 PolarHBondContact O-N 2.05Å; P242-L245 VanDerWaalsContact O-CB 3.23Å; P242-L245 WeakPolarHBondContact O-CB 3.36Å; P242-L245 PolarHBondContact O-N 2.9Å; P242-L245 VanDerWaalsContact O-N 3.13Å; P242-K250 WeakPolarHBondContact O-CE 3.44Å
243A91.6Very high86.8Confident43 Ų4332.8 Ų32.836%0.35519%0.186SC..THydrogen-bonded Turntrans-62.2-33.6179.300000112.2D66 L245 K250D66-A243 HydrophobicContact CB-CB 4.49Å; A243-L245 VanDerWaalsContact C-N 3.27Å; A243-L245 PolarHBondContact O-N 3.37Å; A243-K250 PolarHBondContact O-NZ 2.65Å
244D91.6Very high89.4Confident148 Ų14825.1 Ų25.179%0.79115%0.145SC*.THydrogen-bonded Turntrans-79.4-1.3177.964.4-35.1000114.4P242P242-D244 WeakPolarHBondContact CB-OD1 3.34Å; P242-D244 PolarHBondContact O-N 2.05Å
245L94.1Very high91.7Very high31 Ų3124.2 Ų24.216%0.16214%0.137CC..SBendtrans-62.2140174.6-173.866.4000110.7L188 I216 V241 P242 A243 V247 V249 K250 M253L188-L245 HydrophobicContact CD1-CD1 4.42Å; I216-L245 HydrophobicContact CD1-CD1 4.23Å; I216-L245 HydrophobicContact CD1-CD2 4.45Å; V241-L245 HydrophobicContact CB-CD2 3.8Å; V241-L245 HydrophobicContact CG1-CD2 3.75Å; V241-L245 HydrophobicContact CG2-CD2 4.35Å; P242-L245 VanDerWaalsContact O-CB 3.23Å; P242-L245 WeakPolarHBondContact O-CB 3.36Å; P242-L245 PolarHBondContact O-N 2.9Å; P242-L245 VanDerWaalsContact O-N 3.13Å; A243-L245 VanDerWaalsContact C-N 3.27Å; A243-L245 PolarHBondContact O-N 3.37Å; L245-V247 PolarHBondContact O-N 2.92Å; L245-V249 HydrophobicContact CD1-CG1 4.23Å; L245-V249 HydrophobicContact CD2-CG1 3.83Å; L245-V249 HydrophobicContact CG-CB 4.32Å; L245-V249 HydrophobicContact CG-CG1 4.08Å; L245-K250 HydrophobicContact CD2-CG 4.32Å; L245-K250 WeakPolarHBondContact O-CE 3.33Å; L245-M253 HydrophobicContact CD2-SD 4.06Å
246D94.5Very high93.5Very high70 Ų7022.4 Ų22.437%0.37413%0.128SC..  trans-53134.3-179.4-175.6-83.3000112.2T248 V249 K250D246-T248 VanDerWaalsContact C-N 3.28Å; D246-T248 PolarHBondContact O-N 2.86Å; D246-T248 WeakPolarHBondContact OD1-CA 3.4Å; D246-T248 VanDerWaalsContact OD1-CB 3.24Å; D246-T248 WeakPolarHBondContact OD1-CB 3.45Å; D246-T248 PolarHBondContact OD1-N 3.03Å; D246-T248 PolarHBondContact OD1-OG1 2.89Å; D246-V249 HydrophobicContact CB-CB 4.38Å; D246-V249 HydrophobicContact CB-CG2 4.04Å; D246-V249 WeakPolarHBondContact O-CB 3.29Å; D246-V249 PolarHBondContact O-N 3.39Å; D246-V249 VanDerWaalsContact O-N 3.15Å; D246-V249 PolarHBondContact OD1-N 3.09Å; D246-K250 PolarHBondContact O-N 2.77Å
247V95.4Very high94.4Very high5 Ų521.8 Ų21.83%0.0312%0.124CC..Hα-helixtrans-68.2-26.9-174.3-60.60000113.2L55 L59 L62 L245 V249 K250 A251L55-V247 HydrophobicContact CD1-CB 4.14Å; L55-V247 HydrophobicContact CD1-CG1 3.81Å; L55-V247 HydrophobicContact CD1-CG2 3.24Å; L55-V247 HydrophobicContact CD2-CG1 4.28Å; L55-V247 HydrophobicContact CD2-CG2 4.38Å; L55-V247 HydrophobicContact CG-CG1 4.43Å; L55-V247 HydrophobicContact CG-CG2 3.73Å; L59-V247 HydrophobicContact CB-CB 4.08Å; L59-V247 HydrophobicContact CB-CG2 3.82Å; L59-V247 HydrophobicContact CD1-CB 4.32Å; L59-V247 HydrophobicContact CD1-CG2 3.84Å; L62-V247 HydrophobicContact CB-CB 4.25Å; L62-V247 HydrophobicContact CB-CG1 4.11Å; L245-V247 PolarHBondContact O-N 2.92Å; V247-V249 VanDerWaalsContact C-N 3.32Å; V247-K250 PolarHBondContact O-N 2.96Å; V247-A251 WeakPolarHBondContact O-CB 3.37Å; V247-A251 PolarHBondContact O-N 3.11Å
248T95.8Very high94.3Very high27 Ų2721.6 Ų21.617%0.16612%0.124CC..Hα-helixtrans-71-34.417671.10000110.4P56 V163 D246 A251 A252P56-T248 HydrophobicContact CG-CG2 3.92Å; V163-T248 HydrophobicContact CB-CG2 3.91Å; V163-T248 HydrophobicContact CG1-CG2 4.25Å; V163-T248 HydrophobicContact CG2-CG2 4.48Å; D246-T248 VanDerWaalsContact C-N 3.28Å; D246-T248 PolarHBondContact O-N 2.86Å; D246-T248 WeakPolarHBondContact OD1-CA 3.4Å; D246-T248 VanDerWaalsContact OD1-CB 3.24Å; D246-T248 WeakPolarHBondContact OD1-CB 3.45Å; D246-T248 PolarHBondContact OD1-N 3.03Å; D246-T248 PolarHBondContact OD1-OG1 2.89Å; T248-A251 PolarHBondContact O-N 2.82Å; T248-A252 WeakPolarHBondContact O-CB 3.33Å; T248-A252 PolarHBondContact O-N 2.85Å
249V96.5Very high94.1Very high4 Ų421.6 Ų21.62%0.02412%0.124CC..Hα-helixtrans-65.4-45.1170.4175.20000110.4I179 I187 L188 L245 D246 V247 A251 A252 M253I179-V249 HydrophobicContact CD1-CG1 4.15Å; I179-V249 HydrophobicContact CG2-CG1 4.46Å; I187-V249 HydrophobicContact CD1-CG2 4.06Å; I187-V249 HydrophobicContact CG2-CG2 4.21Å; L188-V249 HydrophobicContact CD1-CG1 3.5Å; L188-V249 VanDerWaalsContact CD1-CG1 3.5Å; L245-V249 HydrophobicContact CD1-CG1 4.23Å; L245-V249 HydrophobicContact CD2-CG1 3.83Å; L245-V249 HydrophobicContact CG-CB 4.32Å; L245-V249 HydrophobicContact CG-CG1 4.08Å; D246-V249 HydrophobicContact CB-CB 4.38Å; D246-V249 HydrophobicContact CB-CG2 4.04Å; D246-V249 WeakPolarHBondContact O-CB 3.29Å; D246-V249 PolarHBondContact O-N 3.39Å; D246-V249 VanDerWaalsContact O-N 3.15Å; D246-V249 PolarHBondContact OD1-N 3.09Å; V247-V249 VanDerWaalsContact C-N 3.32Å; V249-A251 VanDerWaalsContact C-N 3.32Å; V249-A251 PolarHBondContact O-N 2.84Å; V249-A252 WeakPolarHBondContact O-CB 3.27Å; V249-A252 PolarHBondContact O-N 2.85Å; V249-A252 VanDerWaalsContact O-N 3.15Å; V249-M253 HydrophobicContact CG1-CG 4.5Å; V249-M253 HydrophobicContact CG1-SD 4.08Å; V249-M253 VanDerWaalsContact O-CG 3.31Å; V249-M253 WeakPolarHBondContact O-CG 3.07Å; V249-M253 PolarHBondContact O-N 3.32Å
250K96.8Very high93.6Very high0 Ų021.6 Ų21.60%012%0.124CC..Hα-helixtrans-60.2-41.6175-65.5-176.5-172.3175.70111.9L62 L65 I68 V241 P242 A243 L245 D246 V247 A252 M253 I254L62-K250 HydrophobicContact CB-CD 4.31Å; L62-K250 HydrophobicContact CD1-CB 4.24Å; L62-K250 WeakPolarHBondContact O-CD 3.47Å; L62-K250 PolarHBondContact O-NZ 3.45Å; L65-K250 WeakPolarHBondContact O-CE 3.4Å; L65-K250 PolarHBondContact O-NZ 3.27Å; I68-K250 HydrophobicContact CD1-CB 4.28Å; V241-K250 HydrophobicContact CG2-CD 4.35Å; V241-K250 HydrophobicContact CG2-CG 4.29Å; P242-K250 WeakPolarHBondContact O-CE 3.44Å; A243-K250 PolarHBondContact O-NZ 2.65Å; L245-K250 HydrophobicContact CD2-CG 4.32Å; L245-K250 WeakPolarHBondContact O-CE 3.33Å; D246-K250 PolarHBondContact O-N 2.77Å; V247-K250 PolarHBondContact O-N 2.96Å; K250-A252 VanDerWaalsContact C-N 3.35Å; K250-M253 PolarHBondContact O-N 2.87Å; K250-I254 WeakPolarHBondContact O-CG1 3.2Å; K250-I254 PolarHBondContact O-N 2.81Å
251A96.8Very high92.9Very high0 Ų019 Ų190%011%0.112CC..Hα-helixtrans-61.6-41.6173.800000112L59 L62 I133 I155 V247 T248 V249 M253 I254 G255L59-A251 HydrophobicContact CD1-CB 4.23Å; L62-A251 HydrophobicContact CD1-CB 4.42Å; I133-A251 HydrophobicContact CD1-CB 3.97Å; I155-A251 HydrophobicContact CG2-CB 4.18Å; V247-A251 WeakPolarHBondContact O-CB 3.37Å; V247-A251 PolarHBondContact O-N 3.11Å; T248-A251 PolarHBondContact O-N 2.82Å; V249-A251 VanDerWaalsContact C-N 3.32Å; V249-A251 PolarHBondContact O-N 2.84Å; A251-M253 VanDerWaalsContact C-N 3.34Å; A251-M253 PolarHBondContact O-N 2.88Å; A251-I254 WeakPolarHBondContact O-CB 3.4Å; A251-I254 PolarHBondContact O-N 2.9Å; A251-G255 PolarHBondContact O-N 2.91Å
252A97.1Very high91.9Very high1 Ų118.6 Ų18.61%0.00811%0.109CC..Hα-helixtrans-64.6-36.617400000112.6I155 V166 I179 T248 V249 K250 G255 A256I155-A252 HydrophobicContact CG1-CB 4.15Å; V166-A252 HydrophobicContact CG2-CB 4.01Å; V166-A252 WeakPolarHBondContact CG2-O 3.3Å; I179-A252 HydrophobicContact CG2-CB 3.81Å; T248-A252 WeakPolarHBondContact O-CB 3.33Å; T248-A252 PolarHBondContact O-N 2.85Å; V249-A252 WeakPolarHBondContact O-CB 3.27Å; V249-A252 PolarHBondContact O-N 2.85Å; V249-A252 VanDerWaalsContact O-N 3.15Å; K250-A252 VanDerWaalsContact C-N 3.35Å; A252-G255 CarbonylContact O-C 3.55Å; A252-G255 PolarHBondContact O-N 2.88Å; A252-A256 PolarHBondContact O-N 2.76Å
253M96.8Very high91Very high0 Ų016.9 Ų16.90%010%0.097CC..Hα-helixtrans-67.3-36.8175-69.1175.466.600112.3I179 V207 I219 I239 V241 L245 V249 K250 A251 G255 A256 C257I179-M253 HydrophobicContact CD1-CG 3.54Å; I179-M253 HydrophobicContact CD1-SD 4.26Å; V207-M253 HydrophobicContact CB-CE 4.28Å; V207-M253 HydrophobicContact CG1-CE 4.35Å; V207-M253 HydrophobicContact CG1-SD 4.45Å; V207-M253 HydrophobicContact CG2-CE 3.49Å; V207-M253 VanDerWaalsContact CG2-CE 3.49Å; I219-M253 HydrophobicContact CD1-CB 4.33Å; I219-M253 HydrophobicContact CD1-CE 4.35Å; I219-M253 HydrophobicContact CG1-CE 4.12Å; I239-M253 HydrophobicContact CD1-CB 4.33Å; I239-M253 HydrophobicContact CG2-CB 4.18Å; I239-M253 HydrophobicContact CG2-CE 3.48Å; I239-M253 VanDerWaalsContact CG2-CE 3.48Å; V241-M253 HydrophobicContact CG1-CE 3.18Å; V241-M253 HydrophobicContact CG1-SD 3.68Å; L245-M253 HydrophobicContact CD2-SD 4.06Å; V249-M253 HydrophobicContact CG1-CG 4.5Å; V249-M253 HydrophobicContact CG1-SD 4.08Å; V249-M253 VanDerWaalsContact O-CG 3.31Å; V249-M253 WeakPolarHBondContact O-CG 3.07Å; V249-M253 PolarHBondContact O-N 3.32Å; K250-M253 PolarHBondContact O-N 2.87Å; A251-M253 VanDerWaalsContact C-N 3.34Å; A251-M253 PolarHBondContact O-N 2.88Å; M253-G255 VanDerWaalsContact C-N 3.35Å; M253-A256 PolarHBondContact O-N 2.8Å; M253-C257 PolarHBondContact O-N 3.44Å
254I95.8Very high90.1Very high0 Ų018.7 Ų18.70%010%0.097CC..Hα-helixtrans-59.2-47.4169.1-70.6164.2000110L62 I68 I70 I91 I124 I239 K250 A251 A256 C257 F258L62-I254 HydrophobicContact CD1-CD1 4.12Å; L62-I254 HydrophobicContact CD2-CD1 4.04Å; I68-I254 HydrophobicContact CD1-CD1 4.23Å; I68-I254 HydrophobicContact CD1-CG1 4.38Å; I68-I254 HydrophobicContact CG2-CD1 4.33Å; I68-I254 HydrophobicContact CG2-CG1 4.25Å; I70-I254 HydrophobicContact CD1-CG2 4.17Å; I91-I254 HydrophobicContact CD1-CG2 3.89Å; I124-I254 HydrophobicContact CD1-CG2 3.84Å; I239-I254 HydrophobicContact CD1-CB 4.47Å; I239-I254 HydrophobicContact CD1-CG1 3.85Å; K250-I254 WeakPolarHBondContact O-CG1 3.2Å; K250-I254 PolarHBondContact O-N 2.81Å; A251-I254 WeakPolarHBondContact O-CB 3.4Å; A251-I254 PolarHBondContact O-N 2.9Å; I254-A256 VanDerWaalsContact C-N 3.34Å; I254-A256 PolarHBondContact O-N 3.12Å; I254-C257 WeakPolarHBondContact O-CB 3.44Å; I254-C257 PolarHBondContact O-N 3.44Å; I254-F258 HydrophobicContact CG2-CD2 4.19Å; I254-F258 HydrophobicContact CG2-CE2 3.49Å; I254-F258 VanDerWaalsContact CG2-CE2 3.49Å; I254-F258 HydrophobicContact CG2-CZ 4.3Å; I254-F258 WeakPolarHBondContact O-CD2 3.23Å; I254-F258 PolarHBondContact O-N 2.82Å
255G94.2Very high89.1Confident0 Ų012.3 Ų12.30%06%0.062CC..Hα-helixtrans-57-44.7173.600000113.2L153 A251 A252 M253 C257 F258 L259L153-G255 WeakPolarHBondContact CD1-O 3.42Å; A251-G255 PolarHBondContact O-N 2.91Å; A252-G255 CarbonylContact O-C 3.55Å; A252-G255 PolarHBondContact O-N 2.88Å; M253-G255 VanDerWaalsContact C-N 3.35Å; G255-C257 VanDerWaalsContact C-N 3.35Å; G255-C257 PolarHBondContact O-N 2.81Å; G255-F258 PolarHBondContact O-N 3.48Å; G255-L259 PolarHBondContact O-N 2.95Å; G255-L259 VanDerWaalsContact O-N 3.11Å
256A94.2Very high87.6Confident0 Ų011.8 Ų11.80%06%0.059CC..Hα-helixtrans-61.4-39.9178.200000112.5V166 I190 I219 A252 M253 I254 F258 L259 F260V166-A256 HydrophobicContact CG1-CB 4.08Å; V166-A256 HydrophobicContact CG2-CB 4.26Å; I190-A256 HydrophobicContact CD1-CB 3.78Å; I219-A256 HydrophobicContact CD1-CB 4.18Å; A252-A256 PolarHBondContact O-N 2.76Å; M253-A256 PolarHBondContact O-N 2.8Å; I254-A256 VanDerWaalsContact C-N 3.34Å; I254-A256 PolarHBondContact O-N 3.12Å; A256-F258 VanDerWaalsContact C-N 3.33Å; A256-F258 PolarHBondContact O-N 3.32Å; A256-L259 WeakPolarHBondContact O-CB 3.33Å; A256-L259 PolarHBondContact O-N 3Å; A256-F260 HydrophobicContact CB-CE2 4.28Å; A256-F260 HydrophobicContact CB-CZ 4.07Å; A256-F260 WeakPolarHBondContact O-CD1 3.11Å; A256-F260 WeakPolarHBondContact O-CG 3.39Å; A256-F260 PolarHBondContact O-N 2.97Å
257C91.3Very high85.3Confident1 Ų113.9 Ų13.91%0.0077%0.066CC..Hα-helixtrans-55-47.7173.6-85.30000112I70 I219 I239 M253 I254 G255 L259 F260 D261I70-C257 HydrophobicContact CD1-CB 3.52Å; I219-C257 WeakPolarHBondContact CG2-SG 3.29Å; I239-C257 VanDerWaalsContact CG1-SG 3.52Å; M253-C257 PolarHBondContact O-N 3.44Å; I254-C257 WeakPolarHBondContact O-CB 3.44Å; I254-C257 PolarHBondContact O-N 3.44Å; G255-C257 VanDerWaalsContact C-N 3.35Å; G255-C257 PolarHBondContact O-N 2.81Å; C257-L259 VanDerWaalsContact C-N 3.33Å; C257-L259 PolarHBondContact O-N 3.32Å; C257-F260 PolarHBondContact O-N 3.1Å; C257-D261 PolarHBondContact O-N 2.9Å
258F87.1Confident83Confident3 Ų316.1 Ų16.11%0.0138%0.082CC..Hα-helixtrans-62.5-42178.2-64.2-61.7000111.6I70 Y89 I91 A102 L122 I124 I254 G255 A256 F260 D261 F262I70-F258 HydrophobicContact CD1-CZ 4.32Å; I70-F258 HydrophobicContact CG2-CE1 3.8Å; I70-F258 HydrophobicContact CG2-CZ 4.09Å; Y89-F258 HydrophobicContact CD1-CD1 4.46Å; Y89-F258 AromaticContact CD1-CE1 3.92Å; Y89-F258 HydrophobicContact CD1-CE1 3.92Å; Y89-F258 HydrophobicContact CD2-CD1 4.2Å; Y89-F258 AromaticContact CD2-CE1 3.63Å; Y89-F258 HydrophobicContact CD2-CE1 3.63Å; Y89-F258 HydrophobicContact CE1-CD1 4.39Å; Y89-F258 HydrophobicContact CE1-CE1 4.29Å; Y89-F258 HydrophobicContact CE2-CD1 4.14Å; Y89-F258 HydrophobicContact CE2-CE1 4.04Å; Y89-F258 HydrophobicContact CG-CD1 4.38Å; Y89-F258 AromaticContact CG-CE1 3.58Å; Y89-F258 HydrophobicContact CG-CE1 3.58Å; Y89-F258 HydrophobicContact CG-CZ 4.47Å; I91-F258 HydrophobicContact CD1-CZ 4.35Å; A102-F258 HydrophobicContact CB-CE1 4.4Å; A102-F258 HydrophobicContact CB-CE2 4.45Å; A102-F258 HydrophobicContact CB-CZ 3.76Å; L122-F258 HydrophobicContact CD1-CB 3.75Å; L122-F258 HydrophobicContact CD1-CD2 4.11Å; L122-F258 HydrophobicContact CD1-CG 3.95Å; L122-F258 HydrophobicContact CD2-CB 4.24Å; L122-F258 HydrophobicContact CD2-CD1 3.65Å; L122-F258 HydrophobicContact CD2-CD2 3.96Å; L122-F258 HydrophobicContact CD2-CE1 3.91Å; L122-F258 HydrophobicContact CD2-CE2 4.18Å; L122-F258 HydrophobicContact CD2-CG 3.69Å; L122-F258 HydrophobicContact CD2-CZ 4.17Å; L122-F258 HydrophobicContact CG-CG 4.46Å; I124-F258 HydrophobicContact CD1-CE2 4.03Å; I254-F258 HydrophobicContact CG2-CD2 4.19Å; I254-F258 HydrophobicContact CG2-CE2 3.49Å; I254-F258 VanDerWaalsContact CG2-CE2 3.49Å; I254-F258 HydrophobicContact CG2-CZ 4.3Å; I254-F258 WeakPolarHBondContact O-CD2 3.23Å; I254-F258 PolarHBondContact O-N 2.82Å; G255-F258 PolarHBondContact O-N 3.48Å; A256-F258 VanDerWaalsContact C-N 3.33Å; A256-F258 PolarHBondContact O-N 3.32Å; F258-F260 VanDerWaalsContact C-N 3.3Å; F258-F260 PolarHBondContact O-N 2.83Å; F258-D261 PolarHBondContact O-N 2.7Å; F258-F262 HydrophobicContact CB-CE2 4.18Å; F258-F262 WeakPolarHBondContact O-CD2 3.43Å; F258-F262 WeakPolarHBondContact O-CG 3.35Å; F258-F262 PolarHBondContact O-N 3.09Å; F258-F262 VanDerWaalsContact O-N 3.08Å
259L85.9Confident80.3Confident1 Ų118.7 Ų18.71%0.00510%0.095CC..Hα-helixtrans-59.8-41.6174.5179.165.4000112Q151 L153 F177 G255 A256 C257 F262 M263Q151-L259 HydrophobicContact CB-CD1 4.21Å; Q151-L259 HydrophobicContact CB-CD2 4.2Å; Q151-L259 HydrophobicContact CG-CD1 4.34Å; L153-L259 HydrophobicContact CD1-CB 3.54Å; L153-L259 HydrophobicContact CD1-CD2 3.99Å; L153-L259 HydrophobicContact CD1-CG 4.28Å; L153-L259 HydrophobicContact CD2-CB 4.47Å; L153-L259 HydrophobicContact CD2-CD1 4.38Å; L153-L259 HydrophobicContact CG-CB 4.26Å; L153-L259 HydrophobicContact CG-CD2 4.09Å; F177-L259 HydrophobicContact CD1-CD2 4.1Å; F177-L259 HydrophobicContact CE1-CD2 3.79Å; G255-L259 PolarHBondContact O-N 2.95Å; G255-L259 VanDerWaalsContact O-N 3.11Å; A256-L259 WeakPolarHBondContact O-CB 3.33Å; A256-L259 PolarHBondContact O-N 3Å; C257-L259 VanDerWaalsContact C-N 3.33Å; C257-L259 PolarHBondContact O-N 3.32Å; L259-F262 PolarHBondContact O-N 3.11Å; L259-M263 HydrophobicContact CD1-CG 3.88Å; L259-M263 HydrophobicContact CD1-SD 3.69Å; L259-M263 HydrophobicContact CD2-SD 4.06Å; L259-M263 HydrophobicContact CG-CG 4.17Å; L259-M263 HydrophobicContact CG-SD 3.62Å; L259-M263 WeakPolarHBondContact O-CB 3.45Å; L259-M263 VanDerWaalsContact O-CG 3.25Å; L259-M263 WeakPolarHBondContact O-CG 3.41Å; L259-M263 PolarHBondContact O-N 3.39Å
260F85.9Confident77.3Confident0 Ų022.9 Ų22.90%013%0.129CC..Hα-helixtrans-67.3-39.3179-60-16.1000111.9F177 I190 F205 I219 F237 A256 C257 F258 F262 M263 F264 F265F177-F260 HydrophobicContact CD1-CE1 4.1Å; F177-F260 AromaticContact CD2-CE1 3.5Å; F177-F260 HydrophobicContact CD2-CE1 3.5Å; F177-F260 VanDerWaalsContact CD2-CE1 3.5Å; F177-F260 AromaticContact CD2-CZ 3.82Å; F177-F260 HydrophobicContact CD2-CZ 3.82Å; F177-F260 AromaticContact CE1-CE1 3.98Å; F177-F260 HydrophobicContact CE1-CE1 3.98Å; F177-F260 HydrophobicContact CE2-CD1 4.08Å; F177-F260 AromaticContact CE2-CE1 3.36Å; F177-F260 HydrophobicContact CE2-CE1 3.36Å; F177-F260 HydrophobicContact CE2-CZ 4.06Å; F177-F260 AromaticContact CG-CE1 3.88Å; F177-F260 HydrophobicContact CG-CE1 3.88Å; F177-F260 HydrophobicContact CG-CZ 4.26Å; F177-F260 HydrophobicContact CZ-CD1 4.08Å; F177-F260 AromaticContact CZ-CE1 3.63Å; F177-F260 HydrophobicContact CZ-CE1 3.63Å; I190-F260 HydrophobicContact CB-CZ 4.4Å; I190-F260 HydrophobicContact CD1-CZ 4.11Å; I190-F260 HydrophobicContact CG2-CE2 3.93Å; I190-F260 HydrophobicContact CG2-CZ 3.75Å; F205-F260 HydrophobicContact CB-CE2 4.01Å; F205-F260 AromaticContact CD1-CD2 3.98Å; F205-F260 HydrophobicContact CD1-CD2 3.98Å; F205-F260 AromaticContact CD1-CE2 3.73Å; F205-F260 HydrophobicContact CD1-CE2 3.73Å; F205-F260 HydrophobicContact CD1-CG 4.49Å; F205-F260 HydrophobicContact CD1-CZ 4.05Å; F205-F260 AromaticContact CD2-CD2 3.9Å; F205-F260 HydrophobicContact CD2-CD2 3.9Å; F205-F260 HydrophobicContact CD2-CE2 4.2Å; F205-F260 HydrophobicContact CE1-CD1 4.4Å; F205-F260 HydrophobicContact CE1-CD2 4.11Å; F205-F260 HydrophobicContact CE1-CE2 4.24Å; F205-F260 HydrophobicContact CE1-CG 4.2Å; F205-F260 HydrophobicContact CE1-CZ 4.46Å; F205-F260 HydrophobicContact CE2-CB 4.46Å; F205-F260 HydrophobicContact CE2-CD2 4.03Å; F205-F260 HydrophobicContact CE2-CG 4.38Å; F205-F260 AromaticContact CG-CD2 3.89Å; F205-F260 HydrophobicContact CG-CD2 3.89Å; F205-F260 AromaticContact CG-CE2 3.73Å; F205-F260 HydrophobicContact CG-CE2 3.73Å; F205-F260 HydrophobicContact CG-CZ 4.47Å; F205-F260 HydrophobicContact CZ-CB 4.33Å; F205-F260 HydrophobicContact CZ-CD2 4.14Å; F205-F260 HydrophobicContact CZ-CG 4.15Å; I219-F260 HydrophobicContact CB-CE2 4.49Å; I219-F260 HydrophobicContact CD1-CE2 3.9Å; I219-F260 HydrophobicContact CG2-CD2 4.07Å; I219-F260 HydrophobicContact CG2-CE2 4.28Å; F237-F260 HydrophobicContact CE1-CB 4.42Å; A256-F260 HydrophobicContact CB-CE2 4.28Å; A256-F260 HydrophobicContact CB-CZ 4.07Å; A256-F260 WeakPolarHBondContact O-CD1 3.11Å; A256-F260 WeakPolarHBondContact O-CG 3.39Å; A256-F260 PolarHBondContact O-N 2.97Å; C257-F260 PolarHBondContact O-N 3.1Å; F258-F260 VanDerWaalsContact C-N 3.3Å; F258-F260 PolarHBondContact O-N 2.83Å; F260-F262 VanDerWaalsContact C-N 3.34Å; F260-F262 PolarHBondContact O-N 3.39Å; F260-M263 PolarHBondContact O-N 3.22Å; F260-F264 HydrophobicContact CB-CD2 4.14Å; F260-F264 HydrophobicContact CD1-CE2 4.12Å; F260-F264 WeakPolarHBondContact O-CB 3.44Å; F260-F264 WeakPolarHBondContact O-CD2 3.09Å; F260-F264 PolarHBondContact O-N 2.61Å; F260-F265 VanDerWaalsContact O-CD2 3.3Å; F260-F265 WeakPolarHBondContact O-CD2 3.48Å
261D79.7Confident74.1Confident5 Ų526.2 Ų26.23%0.02716%0.164CC..Iπ-helixtrans-55.5-49.6172.6-161.645.3000111.5Y89 K221 F237 C257 F258 F265 E266Y89-D261 PolarHBondContact OH-OD2 2.74Å; Y89-D261 VanDerWaalsContact OH-OD2 3.1Å; K221-D261 IonicContact NZ-OD1 2.75Å; K221-D261 PolarHBondContact NZ-OD1 2.75Å; F237-D261 HydrophobicContact CE2-CB 3.7Å; F237-D261 VanDerWaalsContact CE2-OD1 3.27Å; F237-D261 WeakPolarHBondContact CE2-OD1 2.77Å; F237-D261 HydrophobicContact CZ-CB 3.69Å; C257-D261 PolarHBondContact O-N 2.9Å; F258-D261 PolarHBondContact O-N 2.7Å; D261-F265 CarbonylContact O-C 3.59Å; D261-F265 WeakPolarHBondContact O-CA 3.4Å; D261-F265 PolarHBondContact O-N 3.43Å; D261-E266 PolarHBondContact O-N 3.33Å
262F75.2Confident70.9Confident2 Ų237 Ų371%0.00922%0.22CC..Iπ-helixtrans-66-41.3177.4-58.8-40.4000114.1E104 L122 F258 L259 F260 E266E104-F262 HydrophobicContact CG-CZ 4.09Å; E104-F262 WeakPolarHBondContact OE2-CE1 3.45Å; E104-F262 WeakPolarHBondContact OE2-CZ 3.28Å; L122-F262 HydrophobicContact CD1-CE2 4.07Å; F258-F262 HydrophobicContact CB-CE2 4.18Å; F258-F262 WeakPolarHBondContact O-CD2 3.43Å; F258-F262 WeakPolarHBondContact O-CG 3.35Å; F258-F262 PolarHBondContact O-N 3.09Å; F258-F262 VanDerWaalsContact O-N 3.08Å; L259-F262 PolarHBondContact O-N 3.11Å; F260-F262 VanDerWaalsContact C-N 3.34Å; F260-F262 PolarHBondContact O-N 3.39Å; F262-E266 HydrophobicContact CD1-CG 4.04Å
263M75.4Confident69.6Low13 Ų1338.8 Ų38.86%0.06423%0.231CC..Iπ-helixtrans-76-37.3-174.4-74.2-17874.400113.3N142 Q151 F177 L259 F260N142-M263 WeakPolarHBondContact OD1-CE 3.48Å; Q151-M263 HydrophobicContact CB-SD 4.36Å; Q151-M263 HydrophobicContact CG-CE 3.88Å; Q151-M263 HydrophobicContact CG-SD 3.8Å; F177-M263 HydrophobicContact CE1-CE 4.34Å; F177-M263 HydrophobicContact CE1-SD 3.87Å; F177-M263 HydrophobicContact CZ-CE 4.08Å; F177-M263 HydrophobicContact CZ-SD 3.84Å; L259-M263 HydrophobicContact CD1-CG 3.88Å; L259-M263 HydrophobicContact CD1-SD 3.69Å; L259-M263 HydrophobicContact CD2-SD 4.06Å; L259-M263 HydrophobicContact CG-CG 4.17Å; L259-M263 HydrophobicContact CG-SD 3.62Å; L259-M263 WeakPolarHBondContact O-CB 3.45Å; L259-M263 VanDerWaalsContact O-CG 3.25Å; L259-M263 WeakPolarHBondContact O-CG 3.41Å; L259-M263 PolarHBondContact O-N 3.39Å; F260-M263 PolarHBondContact O-N 3.22Å
264F73.2Confident68.1Low82 Ų8240.8 Ų40.836%0.3624%0.243SC..Iπ-helixtrans-117.5-18.7-166.8-57.7-67.4000114.2P175 F177 F205 F260P175-F264 HydrophobicContact CB-CE1 4.46Å; P175-F264 HydrophobicContact CB-CZ 3.82Å; P175-F264 HydrophobicContact CG-CZ 4.34Å; F177-F264 HydrophobicContact CE2-CE2 4.4Å; F177-F264 HydrophobicContact CZ-CE2 4.24Å; F177-F264 HydrophobicContact CZ-CZ 4.34Å; F205-F264 HydrophobicContact CE1-CD2 4.25Å; F205-F264 AromaticContact CE1-CE2 3.85Å; F205-F264 HydrophobicContact CE1-CE2 3.85Å; F205-F264 AromaticContact CZ-CD2 3.79Å; F205-F264 HydrophobicContact CZ-CD2 3.79Å; F205-F264 AromaticContact CZ-CE2 3.89Å; F205-F264 HydrophobicContact CZ-CE2 3.89Å; F260-F264 HydrophobicContact CB-CD2 4.14Å; F260-F264 HydrophobicContact CD1-CE2 4.12Å; F260-F264 WeakPolarHBondContact O-CB 3.44Å; F260-F264 WeakPolarHBondContact O-CD2 3.09Å; F260-F264 PolarHBondContact O-N 2.61Å
265F69.8Low66.6Low13 Ų1343.1 Ų43.16%0.05726%0.257CS..Iπ-helixtrans-131.2-10.6-166.3-53.5-72.9000116V203 F205 K221 W223 F237 F260 D261 H267 S268V203-F265 HydrophobicContact CB-CE1 4.42Å; V203-F265 HydrophobicContact CB-CZ 3.89Å; V203-F265 HydrophobicContact CG1-CZ 4.02Å; V203-F265 HydrophobicContact CG2-CE1 3.88Å; V203-F265 HydrophobicContact CG2-CZ 3.85Å; F205-F265 HydrophobicContact CE2-CE2 4.42Å; K221-F265 HydrophobicContact CB-CE2 4.25Å; K221-F265 HydrophobicContact CB-CZ 4.06Å; K221-F265 HydrophobicContact CD-CB 4.15Å; K221-F265 HydrophobicContact CD-CD1 3.28Å; K221-F265 HydrophobicContact CD-CD2 3.46Å; K221-F265 VanDerWaalsContact CD-CD2 3.46Å; K221-F265 HydrophobicContact CD-CE1 3.33Å; K221-F265 HydrophobicContact CD-CE2 3.5Å; K221-F265 VanDerWaalsContact CD-CE2 3.5Å; K221-F265 HydrophobicContact CD-CG 3.34Å; K221-F265 HydrophobicContact CD-CZ 3.42Å; K221-F265 VanDerWaalsContact CD-CZ 3.42Å; K221-F265 VanDerWaalsContact CE-CD1 3.49Å; K221-F265 VanDerWaalsContact CE-CG 3.41Å; K221-F265 HydrophobicContact CG-CE2 4.47Å; K221-F265 HydrophobicContact CG-CZ 4.37Å; W223-F265 HydrophobicContact CZ2-CD1 4.39Å; W223-F265 HydrophobicContact CZ2-CE1 4.49Å; F237-F265 HydrophobicContact CE1-CD2 4.27Å; F237-F265 HydrophobicContact CE1-CE2 4.07Å; F237-F265 AromaticContact CZ-CD2 3.8Å; F237-F265 HydrophobicContact CZ-CD2 3.8Å; F237-F265 HydrophobicContact CZ-CE2 4.07Å; F260-F265 VanDerWaalsContact O-CD2 3.3Å; F260-F265 WeakPolarHBondContact O-CD2 3.48Å; D261-F265 CarbonylContact O-C 3.59Å; D261-F265 WeakPolarHBondContact O-CA 3.4Å; D261-F265 PolarHBondContact O-N 3.43Å; F265-H267 PolarHBondContact O-N 3.15Å; F265-H267 VanDerWaalsContact O-N 3.11Å; F265-S268 PolarHBondContact O-N 3.09Å; F265-S268 VanDerWaalsContact O-N 3.12Å; F265-S268 PolarHBondContact O-OG 3.43Å
266E61.5Low65Low21 Ų2145.6 Ų45.610%0.09827%0.272CS..THydrogen-bonded Turntrans-60.3-22.4174.7-95.9-164.614900113.7R118 D261 F262R118-E266 IonicContact CZ-OE1 3.69Å; R118-E266 IonicContact NE-OE1 2.7Å; R118-E266 IonicContact NE-OE2 3.34Å; R118-E266 IonicContact NH2-OE1 2.93Å; R118-E266 PolarHBondContact NH2-OE1 3.24Å; R118-E266 IonicContact NH2-OE2 2.98Å; D261-E266 PolarHBondContact O-N 3.33Å; F262-E266 HydrophobicContact CD1-CG 4.04Å
267H47.7Very low63.2Low113 Ų11348.5 Ų48.552%0.52329%0.289SS..THydrogen-bonded Turntrans-82.6-17.6178-68.1-61.3000114.5T116 F265T116-H267 VanDerWaalsContact CG2-NE2 3.33Å; T116-H267 WeakPolarHBondContact CG2-NE2 3.09Å; F265-H267 PolarHBondContact O-N 3.15Å; F265-H267 VanDerWaalsContact O-N 3.11Å
268S46.8Very low61.3Low53 Ų5351.7 Ų51.737%0.37131%0.308SS..G310 helixtrans-77-18.5-178.430.50000114.2F265 A270F265-S268 PolarHBondContact O-N 3.09Å; F265-S268 VanDerWaalsContact O-N 3.12Å; F265-S268 PolarHBondContact O-OG 3.43Å; S268-A270 VanDerWaalsContact C-N 3.33Å
269L39.7Very low59.4Low81 Ų8155.1 Ų55.142%0.42433%0.329SS..G310 helixtrans-81.5-10.1176.1-73.8164.3000113.6G271L269-G271 VanDerWaalsContact C-N 3.29Å
270A32.9Very low57.4Low91 Ų9159.3 Ų59.375%0.75235%0.353SS*.G310 helixtrans-87.44.817800000113.6S268S268-A270 VanDerWaalsContact C-N 3.33Å
271G30Very low55Low70 Ų7064.3 Ų64.372%0.72238%0.383SS*.G310 helixtrans-114.216.1-174.200000115.6L269L269-G271 VanDerWaalsContact C-N 3.29Å
272L28.3Very low52.8Low227 Ų22769.6 Ų69.6100%1.18842%0.415SS*.  trans-105.30169.9-95.1157.1000110.5

Retrieved 272 of 272 residues in 46.7 ms (Link to these results)