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Fibulin-5

Essential for elastic fiber formation, is involved in the assembly of continuous elastin (ELN) polymer and promotes the interaction of microfibrils and ELN. Stabilizes and organizes elastic fibers in the skin, lung and vasculature. Promotes adhesion of endothelial cells through interaction of integrins and the RGD motif. Vascular ligand for integrin receptors which may play a role in vascular development and remodeling. May act as an adapter that mediates the interaction between FBN1 and ELN.

AlphaFold DB (A0A2K5VLE1), UniProt , Accession A0A096NUF7, Species PAPAN (Papio anubis, Olive baboon), Gene FBLN5, Length 465 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
1M29.3Very low26.6Very low239 Ų239172.1 Ų172.1100%1.17786%0.857SS**  01450-120.4161.6152.700108.1
2S23.7Very low26.7Very low117 Ų117168.7 Ų168.782%0.81886%0.856SS**  trans66139.5-176.651.90000117.5
3V24.5Very low26.7Very low121 Ų121170.4 Ų170.473%0.73386%0.863SS**  cis152.2117.6-19.8144.60000104.3
4W27.5Very low26.7Very low218 Ų218176.1 Ų176.183%0.82687%0.868SS**  trans84125.4148.5-70.558000123
5D24.4Very low26.8Very low131 Ų131171.6 Ų171.670%0.70186%0.861SS**  65.9134.1118.3-119.4-4.6000123.3
6S26.1Very low26.9Very low114 Ų114165.1 Ų165.180%0.79785%0.851SS**  trans-148.3108.917263.30000112.8
7H27.8Very low26.9Very low178 Ų178165.2 Ų165.282%0.82485%0.853SS**  trans-121.3122.9157.7-97.3-76.2000108.8
8R28.8Very low26.8Very low248 Ų248167.2 Ų167.294%0.93686%0.855SS**  trans-166.5121.7145.5-114.8176.9-163.1-148.93112.6
9S26.6Very low26.8Very low118 Ų118170.7 Ų170.783%0.82586%0.856SS**  trans-80.3145.8174.7-54.20000112.4
10F26.3Very low26.8Very low210 Ų210172.3 Ų172.392%0.92186%0.861SS**  trans-86.5142.5174-99.3-100.8000111.8
11K27.2Very low26.9Very low199 Ų199174.4 Ų174.487%0.86586%0.859SS**  trans-117.1142.8160.8-83.1-170177-175.80109.5
12P28.4Very low26.7Very low131 Ų131173.2 Ų173.285%0.85184%0.843SS**  trans-95.3150.817835.5-30.1000113.1
13M26Very low26.8Very low191 Ų191176.3 Ų176.394%0.94185%0.846SS**  trans-102.6139.5175.6-156.5173.417900108.1
14R27.2Very low27.2Very low250 Ų250177.7 Ų177.794%0.94385%0.848SS**  trans-124.9149.2174.4-108.1-171.6-177.7-173.12.1112.8
15S28.6Very low27.2Very low109 Ų109175.5 Ų175.576%0.76285%0.852SS**  trans-79.2156.3-165.559.20000114.7
16G27.6Very low27.4Very low67 Ų67175.2 Ų175.269%0.69186%0.855SS**  trans-71.9167.616800000113.7
17N26.6Very low27.6Very low167 Ų167176.3 Ų176.389%0.89386%0.857SS**  trans-149.8162.7167.2-113.4-15.9000114
18F26.6Very low27.7Very low201 Ų201174.3 Ų174.388%0.88286%0.857SS**  trans-59.4157.9-165.8-119.4-118.5000117.5
19R26.5Very low27.8Very low234 Ų234170.1 Ų170.188%0.88385%0.851SS**  trans-73.8143.5167.6-75.7177.6166.1-175-3.1112.2
20Q26.6Very low28Very low202 Ų202172.3 Ų172.394%0.94485%0.853SS**  trans-156.9147.3131.1-126167.1-3.900111.7
21R28.1Very low28.2Very low217 Ų217167.1 Ų167.182%0.81985%0.849SS**  trans-80.6151.2-175.4-67.6174.9170-175-4.1111.2
22Y25.8Very low28.5Very low214 Ų214166.1 Ų166.184%0.83985%0.852SS**  -179.3139.9108.7-97.7-73.5000113.2
23M25.1Very low28.6Very low182 Ų182165.8 Ų165.890%0.89785%0.852SS**  trans67.3144148.2-97-177.9158.200123.8
24I34.2Very low29.1Very low150 Ų150165 Ų16577%0.76985%0.85SS**  trans-101.7137.5-159.2-65.9159.3000109.9
25L26.6Very low29.4Very low172 Ų172158.9 Ų158.990%0.90184%0.843SS**  trans-167.6118.1148.8-106.4136.8000109
26T29.3Very low29.4Very low126 Ų126159 Ų15977%0.77384%0.843SS**  trans-104.4122.7-177.346.70000111
27V28.9Very low30.3Very low137 Ų137162.2 Ų162.283%0.8385%0.852SS**  trans-129.9122160.4176.20000106.7
28T30.8Very low30.6Very low136 Ų136157.7 Ų157.783%0.83485%0.845SS**  trans-98.8125.5-176.640.60000111
29I31.2Very low31.1Very low159 Ų159156 Ų15682%0.81585%0.845SS**  trans-101.2141.9165.6-69.9176.9000109.3
30L30.1Very low31.5Very low165 Ų165149.8 Ų149.886%0.86484%0.844SS**  trans-44.7142.9172.9-82.774.2000114.4
31A30.9Very low32.3Very low100 Ų100148.9 Ų148.983%0.82684%0.84SS**  trans-125.4129.3156.300000109.6
32L33.1Very low33.2Very low178 Ų178141.2 Ų141.293%0.93282%0.823SS**  trans-69.8138.3169.9-76.4154000110.5
33C29.8Very low34.4Very low125 Ų125140 Ų14085%0.84583%0.825SS**  trans-139.9123.3161-105.90000109.2
34L37.4Very low36.1Very low175 Ų175132.8 Ų132.892%0.91679%0.791SS**  trans-74.5147.2160.1-78.4160.5000109.6
35P32.8Very low37Very low120 Ų120130.6 Ų130.678%0.77979%0.786SS**  trans-138.2145.9144.133.3-17.1000114.7
36S29.6Very low38.3Very low111 Ų111130.3 Ų130.378%0.77679%0.785SS**  trans-73.2174160.754.30000111.1
37P46.3Very low39.5Very low135 Ų135125 Ų12588%0.87776%0.755SS**SBendtrans-81.8133.7-135.335.4-39.1000114.5
38G33.6Very low41.1Very low72 Ų72120.6 Ų120.674%0.74273%0.725SS**SBendtrans157109.7169.700000112.3
39N35.9Very low42.8Very low166 Ų166119.4 Ų119.489%0.88871%0.714SS**  trans61.874.9174.8-90.6-17.4000116.6Q41N39-Q41 PolarHBondContact O-N 2.95Å
40A35.2Very low44.3Very low103 Ų103114.3 Ų114.385%0.85169%0.688SS**  trans-71.3101.2156.800000108.9A42A40-A42 PolarHBondContact O-N 3.21Å; A40-A42 VanDerWaalsContact O-N 3.12Å
41Q43.4Very low45.9Very low184 Ų184109 Ų10986%0.8666%0.66SS**  trans-67.5104.3157.4-95.9176.2-40.900106.7N39 Q43N39-Q41 PolarHBondContact O-N 2.95Å; Q41-Q43 PolarHBondContact O-N 2.98Å
42A47.5Very low47.3Very low56 Ų56115.5 Ų115.546%0.46366%0.663SS.*  trans-59.3110.617500000108.9A40 L50A40-A42 PolarHBondContact O-N 3.21Å; A40-A42 VanDerWaalsContact O-N 3.12Å; A42-L50 HydrophobicContact CB-CD1 3.98Å; A42-L50 HydrophobicContact CB-CD2 4.4Å; A42-L50 WeakPolarHBondContact O-CD2 3.43Å
43Q51Low48.5Very low189 Ų189116 Ų11688%0.88366%0.661SS**PPolyproline II helixtrans-90.8118.3171-76.8-176.1-63.800108.5Q41Q41-Q43 PolarHBondContact O-N 2.98Å
44C59.5Low49.9Very low29 Ų29112.9 Ų112.920%0.19664%0.64CS.*PPolyproline II helixtrans-74.3150.3172.5-59.10000110.7F48 L50 C57C44-F48 HydrophobicContact CB-CB 4.01Å; C44-F48 WeakPolarHBondContact CB-O 3.25Å; C44-L50 VanDerWaalsContact SG-CD1 3.6Å; C44-C57 WeakPolarHBondContact CA-SG 3.43Å; C44-C57 HydrophobicContact CB-CB 3.72Å; C44-C57 WeakPolarHBondContact CB-SG 3.42Å; C44-C57 WeakPolarHBondContact SG-CA 3.09Å; C44-C57 WeakPolarHBondContact SG-CB 3.03Å; C44-C57 CovalentContact SG-SG 2.02Å; C44-C57 PolarHBondContact SG-SG 3.04Å
45T53.3Low51Low105 Ų105106.9 Ų106.964%0.64462%0.621SS**PPolyproline II helixtrans-67.7156.8173.644.70000111.3G47 F48T45-G47 PolarHBondContact O-N 3.14Å; T45-F48 PolarHBondContact O-N 2.77Å; T45-F48 VanDerWaalsContact O-N 3.13Å
46N54.4Low52.3Low165 Ų165107.2 Ų107.288%0.88261%0.612SS**THydrogen-bonded Turntrans-52.1134.2178.1-64.9-26.2000111.2
47G54.4Low54Low15 Ų15104.7 Ų104.716%0.15559%0.594CS.*THydrogen-bonded Turntrans95.7-2.9-173.500000114.6T45 I60T45-G47 PolarHBondContact O-N 3.14Å; G47-I60 PolarHBondContact O-N 3.36Å
48F63.6Low55.1Low45 Ų45102.6 Ų102.620%0.19758%0.575CS.*EExtended strand (participates in β ladder)trans-131.9140179.1-62-96.1000111.6C44 T45 C57 L58 D59 N80 G81C44-F48 HydrophobicContact CB-CB 4.01Å; C44-F48 WeakPolarHBondContact CB-O 3.25Å; T45-F48 PolarHBondContact O-N 2.77Å; T45-F48 VanDerWaalsContact O-N 3.13Å; F48-C57 HydrophobicContact CB-CB 4.06Å; F48-L58 CarbonylContact C-O 3.59Å; F48-L58 WeakPolarHBondContact CA-O 3.31Å; F48-D59 HydrophobicContact CD1-CB 4.18Å; F48-D59 HydrophobicContact CE1-CB 3.99Å; F48-N80 VanDerWaalsContact CE1-OD1 3.26Å; F48-N80 WeakPolarHBondContact CE1-OD1 3.35Å; F48-G81 VanDerWaalsContact CZ-CA 3.43Å; F48-G81 VanDerWaalsContact CZ-N 3.32Å
49D66.3Low56.7Low111 Ų111101.4 Ų101.459%0.59455%0.552SS**EExtended strand (participates in β ladder)trans-110.3146174.8-159.97.4000110.7D51 L58 I60D49-D51 PolarHBondContact O-N 3.45Å; D49-L58 PolarHBondContact N-O 3.16Å; D49-L58 PolarHBondContact O-N 2.71Å; D49-I60 HydrophobicContact CB-CD1 4.01Å; D49-I60 HydrophobicContact CB-CG1 3.82Å
50L61.7Low58.2Low52 Ų5296 Ų9627%0.27252%0.522SS..EExtended strand (participates in β ladder)trans-83.5114.6-177.2-173.477.1000109.8A42 C44 R52A42-L50 HydrophobicContact CB-CD1 3.98Å; A42-L50 HydrophobicContact CB-CD2 4.4Å; A42-L50 WeakPolarHBondContact O-CD2 3.43Å; C44-L50 VanDerWaalsContact SG-CD1 3.6Å; L50-R52 PolarHBondContact O-N 2.02Å; L50-R52 VanDerWaalsContact O-N 3.16Å
51D65Low59.9Low53 Ų5393.8 Ų93.828%0.28350%0.496SS..  trans-70.8112.8169.3175.631.1000110.2D49 Q53 S54 G55 Q56 L58D49-D51 PolarHBondContact O-N 3.45Å; D51-Q53 PolarHBondContact O-N 2.85Å; D51-Q53 PolarHBondContact OD1-N 3.2Å; D51-S54 WeakPolarHBondContact CB-OG 3.34Å; D51-S54 PolarHBondContact O-N 2.85Å; D51-S54 VanDerWaalsContact OD2-CB 3.23Å; D51-S54 WeakPolarHBondContact OD2-CB 3.36Å; D51-S54 PolarHBondContact OD2-N 3.29Å; D51-S54 PolarHBondContact OD2-OG 3.34Å; D51-G55 WeakPolarHBondContact O-CA 3.26Å; D51-G55 PolarHBondContact O-N 3.39Å; D51-Q56 PolarHBondContact N-O 2.9Å; D51-L58 HydrophobicContact CB-CD1 3.72Å; D51-L58 HydrophobicContact CB-CG 4.13Å
52R59.3Low61.5Low236 Ų23686 Ų8689%0.89146%0.459SS*.THydrogen-bonded Turntrans-69.5-13.3-173.9-63.3-173.1-179.8-168.60.2113.7L50L50-R52 PolarHBondContact O-N 2.02Å; L50-R52 VanDerWaalsContact O-N 3.16Å
53Q57.7Low62.5Low188 Ų18885.2 Ų85.288%0.87945%0.45SS*.THydrogen-bonded Turntrans-91.7-38.4177.6-66.8-175.98.600112.7D51D51-Q53 PolarHBondContact O-N 2.85Å; D51-Q53 PolarHBondContact OD1-N 3.2Å
54S59.9Low63.5Low60 Ų6086.4 Ų86.442%0.4245%0.447SS..THydrogen-bonded Turntrans-99.2-15.9-17964.80000114.5D51 Q56D51-S54 WeakPolarHBondContact CB-OG 3.34Å; D51-S54 PolarHBondContact O-N 2.85Å; D51-S54 VanDerWaalsContact OD2-CB 3.23Å; D51-S54 WeakPolarHBondContact OD2-CB 3.36Å; D51-S54 PolarHBondContact OD2-N 3.29Å; D51-S54 PolarHBondContact OD2-OG 3.34Å; S54-Q56 PolarHBondContact O-N 3.41Å; S54-Q56 PolarHBondContact OG-N 2.86Å
55G61Low63.7Low50 Ų5089.6 Ų89.652%0.51547%0.465SS..  trans69.712.6-175.500000113.9D51D51-G55 WeakPolarHBondContact O-CA 3.26Å; D51-G55 PolarHBondContact O-N 3.39Å
56Q60Low64.2Low126 Ų12688.1 Ų88.159%0.58945%0.453SS*.  trans-99.2147.2-179.9-64.1-173.6-12.200111.3D51 S54 L58D51-Q56 PolarHBondContact N-O 2.9Å; S54-Q56 PolarHBondContact O-N 3.41Å; S54-Q56 PolarHBondContact OG-N 2.86Å; Q56-L58 PolarHBondContact O-N 2.75Å
57C64.8Low64Low59 Ų5986 Ų8640%0.39945%0.448SS..EExtended strand (participates in β ladder)trans-82.5113.8173.5-63.30000109.2C44 F48C44-C57 WeakPolarHBondContact CA-SG 3.43Å; C44-C57 HydrophobicContact CB-CB 3.72Å; C44-C57 WeakPolarHBondContact CB-SG 3.42Å; C44-C57 WeakPolarHBondContact SG-CA 3.09Å; C44-C57 WeakPolarHBondContact SG-CB 3.03Å; C44-C57 CovalentContact SG-SG 2.02Å; C44-C57 PolarHBondContact SG-SG 3.04Å; F48-C57 HydrophobicContact CB-CB 4.06Å
58L68.7Low64.4Low90 Ų9094.1 Ų94.147%0.47148%0.482SS..EExtended strand (participates in β ladder)trans-102.2141.7178.7-61.5-178.5000109.9F48 D49 D51 Q56F48-L58 CarbonylContact C-O 3.59Å; F48-L58 WeakPolarHBondContact CA-O 3.31Å; D49-L58 PolarHBondContact N-O 3.16Å; D49-L58 PolarHBondContact O-N 2.71Å; D51-L58 HydrophobicContact CB-CD1 3.72Å; D51-L58 HydrophobicContact CB-CG 4.13Å; Q56-L58 PolarHBondContact O-N 2.75Å
59D67.2Low64.3Low48 Ų4892.9 Ų92.926%0.25748%0.48SS..EExtended strand (participates in β ladder)trans-59.3135.6177.7-177.657.9000111.8F48 N78 Q79 N80 G81F48-D59 HydrophobicContact CD1-CB 4.18Å; F48-D59 HydrophobicContact CE1-CB 3.99Å; D59-N78 PolarHBondContact OD2-ND2 3.22Å; D59-Q79 VanDerWaalsContact OD1-O 3.08Å; D59-N80 WeakPolarHBondContact OD1-CA 3.45Å; D59-G81 PolarHBondContact OD1-N 2.78Å
60I68.3Low64.4Low52 Ų5288.4 Ų88.427%0.26746%0.457SS..PPolyproline II helixtrans-87.1123.3177.6-62.3173.1000108.4G47 D49 E62 N78G47-I60 PolarHBondContact O-N 3.36Å; D49-I60 HydrophobicContact CB-CD1 4.01Å; D49-I60 HydrophobicContact CB-CG1 3.82Å; I60-E62 HydrophobicContact CG2-CG 4.21Å; I60-E62 PolarHBondContact O-N 3.44Å; I60-E62 VanDerWaalsContact O-OE2 3.05Å; I60-N78 PolarHBondContact O-OD1 2.64Å
61D70.3Confident64.3Low56 Ų5696.7 Ų96.730%0.29949%0.485SS..  trans-74.987.6171.8-172.8-14.4000110.7C63 R64 T65 N78D61-C63 PolarHBondContact O-N 2.82Å; D61-C63 WeakPolarHBondContact OD1-CB 3.22Å; D61-C63 PolarHBondContact OD1-N 3.41Å; D61-R64 HydrophobicContact CB-CB 4.47Å; D61-R64 PolarHBondContact O-N 2.03Å; D61-R64 VanDerWaalsContact O-N 3.11Å; D61-R64 PolarHBondContact OD1-N 3.36Å; D61-R64 WeakPolarHBondContact OD2-CD 3.32Å; D61-T65 PolarHBondContact O-N 2.9Å; D61-T65 VanDerWaalsContact O-N 3.09Å; D61-T65 PolarHBondContact O-OG1 2.87Å; D61-N78 WeakPolarHBondContact CA-OD1 3.42Å
62E78.1Confident64.4Low20 Ų2097.4 Ų97.49%0.09351%0.505CS..Hα-helixtrans-68-24.3-177.1-62.197.517300112.7I60 R64 T65 I66 N78 G82 Y83I60-E62 HydrophobicContact CG2-CG 4.21Å; I60-E62 PolarHBondContact O-N 3.44Å; I60-E62 VanDerWaalsContact O-OE2 3.05Å; E62-R64 PolarHBondContact O-N 3.49Å; E62-T65 WeakPolarHBondContact CA-OG1 3.21Å; E62-T65 PolarHBondContact O-N 2.04Å; E62-I66 HydrophobicContact CB-CD1 3.93Å; E62-I66 HydrophobicContact CB-CG1 4.27Å; E62-I66 HydrophobicContact CG-CD1 4.21Å; E62-I66 WeakPolarHBondContact O-CB 3.47Å; E62-I66 PolarHBondContact O-N 2.91Å; E62-N78 PolarHBondContact N-OD1 2.89Å; E62-N78 PolarHBondContact OE2-OD1 2.86Å; E62-G82 WeakPolarHBondContact OE1-CA 3.17Å; E62-G82 VanDerWaalsContact OE2-CA 3.23Å; E62-G82 WeakPolarHBondContact OE2-CA 2.94Å; E62-Y83 HydrophobicContact CB-CD1 3.39Å; E62-Y83 HydrophobicContact CB-CE1 4.02Å; E62-Y83 HydrophobicContact CB-CG 4.07Å; E62-Y83 HydrophobicContact CG-CD1 3.92Å; E62-Y83 HydrophobicContact CG-CE1 4.46Å; E62-Y83 PolarHBondContact OE2-N 2.77Å
63C67.9Low64.5Low40 Ų4092.9 Ų92.927%0.2750%0.498SS..Hα-helixtrans-65.5-20.8174.4-60.70000112.6D61 C76 V77 N78D61-C63 PolarHBondContact O-N 2.82Å; D61-C63 WeakPolarHBondContact OD1-CB 3.22Å; D61-C63 PolarHBondContact OD1-N 3.41Å; C63-C76 WeakPolarHBondContact CA-SG 3.42Å; C63-C76 HydrophobicContact CB-CB 3.73Å; C63-C76 WeakPolarHBondContact CB-SG 3.24Å; C63-C76 WeakPolarHBondContact SG-CB 3.35Å; C63-C76 CovalentContact SG-SG 2.04Å; C63-C76 PolarHBondContact SG-SG 3.48Å; C63-V77 VanDerWaalsContact SG-C 3.53Å; C63-V77 PolarHBondContact SG-N 2.99Å; C63-V77 VanDerWaalsContact SG-N 3.43Å; C63-N78 PolarHBondContact SG-N 3.09Å; C63-N78 VanDerWaalsContact SG-N 3.42Å
64R71.7Confident65.1Low215 Ų21587.4 Ų87.481%0.81147%0.474SS*.Hα-helixtrans-99.3-33.8173.9-75.5-172.7150.7167.1-4.6113.7D61 E62D61-R64 HydrophobicContact CB-CB 4.47Å; D61-R64 PolarHBondContact O-N 2.03Å; D61-R64 VanDerWaalsContact O-N 3.11Å; D61-R64 PolarHBondContact OD1-N 3.36Å; D61-R64 WeakPolarHBondContact OD2-CD 3.32Å; E62-R64 PolarHBondContact O-N 3.49Å
65T64.1Low65.7Low95 Ų9588.4 Ų88.458%0.58347%0.473SS*.Hα-helixtrans-87.7-23.5-174.633.40000113.5D61 E62 P67D61-T65 PolarHBondContact O-N 2.9Å; D61-T65 VanDerWaalsContact O-N 3.09Å; D61-T65 PolarHBondContact O-OG1 2.87Å; E62-T65 WeakPolarHBondContact CA-OG1 3.21Å; E62-T65 PolarHBondContact O-N 2.04Å; T65-P67 WeakPolarHBondContact O-CD 3.02Å
66I63.8Low66.2Low75 Ų7587.7 Ų87.739%0.38546%0.459SS..SBendtrans-107.6108.3178.5-52.5-179.8000110E62 E68 A69 Y83E62-I66 HydrophobicContact CB-CD1 3.93Å; E62-I66 HydrophobicContact CB-CG1 4.27Å; E62-I66 HydrophobicContact CG-CD1 4.21Å; E62-I66 WeakPolarHBondContact O-CB 3.47Å; E62-I66 PolarHBondContact O-N 2.91Å; I66-E68 PolarHBondContact O-N 3.34Å; I66-A69 HydrophobicContact CB-CB 4.06Å; I66-A69 HydrophobicContact CG2-CB 4.17Å; I66-A69 PolarHBondContact O-N 3.12Å; I66-Y83 HydrophobicContact CD1-CE1 4.25Å
67P50.2Low67Low119 Ų11984.4 Ų84.477%0.77345%0.447SS*.THydrogen-bonded Turntrans-62.4130.1172.8-16.529.3000110.1T65 A69T65-P67 WeakPolarHBondContact O-CD 3.02Å; P67-A69 VanDerWaalsContact C-N 3.35Å; P67-A69 PolarHBondContact O-N 2.95Å
68E63Low67.2Low186 Ų18684 Ų8487%0.86944%0.442SS*.THydrogen-bonded Turntrans58.238.3-175.6-54.7-169158.600114.6I66 C70I66-E68 PolarHBondContact O-N 3.34Å; E68-C70 PolarHBondContact O-N 3.3Å
69A62Low67.3Low19 Ų1984.5 Ų84.516%0.15744%0.441CS..  trans-47.3-32.1177.200000114.2I66 P67 Y83I66-A69 HydrophobicContact CB-CB 4.06Å; I66-A69 HydrophobicContact CG2-CB 4.17Å; I66-A69 PolarHBondContact O-N 3.12Å; P67-A69 VanDerWaalsContact C-N 3.35Å; P67-A69 PolarHBondContact O-N 2.95Å; A69-Y83 HydrophobicContact CB-CD2 4.18Å; A69-Y83 HydrophobicContact CB-CE2 3.81Å; A69-Y83 WeakPolarHBondContact O-CE2 3.05Å; A69-Y83 PolarHBondContact O-OH 2.96Å
70C67.6Low67.3Low17 Ų1788.6 Ų88.612%0.11546%0.463CS..SBendtrans-115.1131.6175.3-580000111E68 M74 C85E68-C70 PolarHBondContact O-N 3.3Å; C70-M74 HydrophobicContact CB-CB 3.95Å; C70-C85 VanDerWaalsContact CA-SG 3.58Å; C70-C85 HydrophobicContact CB-CB 3.75Å; C70-C85 WeakPolarHBondContact CB-SG 3.4Å; C70-C85 VanDerWaalsContact SG-CA 3.52Å; C70-C85 WeakPolarHBondContact SG-CB 3.26Å; C70-C85 CovalentContact SG-SG 2.02Å; C70-C85 PolarHBondContact SG-SG 2.89Å
71R60.2Low66.8Low227 Ų22787.7 Ų87.786%0.85747%0.467SS*.  trans-77.8141.7177.3-72.7-175.4-178.3166.41.9112.3M74R71-M74 WeakPolarHBondContact O-CE 3.42Å
72G66.6Low66.8Low68 Ų6886 Ų8670%0.70146%0.462SS*.SBendtrans76.1-150.1173.400000114M74G72-M74 PolarHBondContact O-N 3.28Å
73D61.7Low66.6Low140 Ų14089.5 Ų89.575%0.74948%0.476SS*.SBendtrans-80.432.6-176.7-72.9-33.8000114.2R88D73-R88 VanDerWaalsContact O-CB 3.25Å; D73-R88 WeakPolarHBondContact O-CB 3.41Å; D73-R88 WeakPolarHBondContact O-CG 3.26Å; D73-R88 PolarHBondContact O-N 2.86Å
74M69.9Low66.6Low74 Ų7491.5 Ų91.537%0.36548%0.483SS..EExtended strand (participates in β ladder)trans-97.2150.6178.6-64.7-170.1-78.600111.5C70 R71 G72 C85 I86 R88C70-M74 HydrophobicContact CB-CB 3.95Å; R71-M74 WeakPolarHBondContact O-CE 3.42Å; G72-M74 PolarHBondContact O-N 3.28Å; M74-C85 HydrophobicContact CB-CB 4.24Å; M74-C85 HydrophobicContact SD-CB 4.06Å; M74-I86 CarbonylContact C-O 3.53Å; M74-I86 VanDerWaalsContact CA-O 3.31Å; M74-I86 WeakPolarHBondContact CA-O 3.2Å; M74-R88 PolarHBondContact O-NE 3.46Å
75M72.7Confident66.7Low81 Ų8183.3 Ų83.340%0.39946%0.458SS..EExtended strand (participates in β ladder)trans-108.5137.9171.663.2178-71.300109.8V77 C85 I86 R88M75-V77 HydrophobicContact CE-CG2 4.39Å; M75-C85 WeakPolarHBondContact O-CA 3.48Å; M75-I86 HydrophobicContact CE-CD1 4.36Å; M75-I86 HydrophobicContact CG-CD1 4Å; M75-I86 HydrophobicContact CG-CG1 3.34Å; M75-I86 WeakPolarHBondContact CG-O 3.26Å; M75-I86 PolarHBondContact N-O 2.95Å; M75-I86 PolarHBondContact O-N 2.76Å; M75-I86 HydrophobicContact SD-CD1 3.99Å; M75-I86 HydrophobicContact SD-CG1 3.99Å; M75-R88 HydrophobicContact CB-CG 3.9Å; M75-R88 HydrophobicContact CG-CG 4.41Å
76C71.7Confident67Low35 Ų3581.8 Ų81.824%0.23645%0.446CS..EExtended strand (participates in β ladder)trans-86.3134.7179.5-172.10000110.2C63 Y83 L84C63-C76 WeakPolarHBondContact CA-SG 3.42Å; C63-C76 HydrophobicContact CB-CB 3.73Å; C63-C76 WeakPolarHBondContact CB-SG 3.24Å; C63-C76 WeakPolarHBondContact SG-CB 3.35Å; C63-C76 CovalentContact SG-SG 2.04Å; C63-C76 PolarHBondContact SG-SG 3.48Å; C76-Y83 WeakPolarHBondContact SG-CD2 3.02Å; C76-L84 CarbonylContact C-O 3.58Å
77V76Confident66.8Low56 Ų5682.5 Ų82.534%0.33946%0.456SS..EExtended strand (participates in β ladder)trans-123.9119.3173.5-178.20000108.2C63 M75 L84 I86C63-V77 VanDerWaalsContact SG-C 3.53Å; C63-V77 PolarHBondContact SG-N 2.99Å; C63-V77 VanDerWaalsContact SG-N 3.43Å; M75-V77 HydrophobicContact CE-CG2 4.39Å; V77-L84 PolarHBondContact N-O 2.85Å; V77-L84 PolarHBondContact O-N 2.82Å; V77-I86 HydrophobicContact CG2-CD1 3.72Å; V77-I86 HydrophobicContact CG2-CG1 4.05Å
78N70.2Confident67.1Low52 Ų5285.1 Ų85.128%0.27845%0.45SS..EExtended strand (participates in β ladder)trans-69.5138.5179.3-165.753.1000111.4D59 I60 D61 E62 C63D59-N78 PolarHBondContact OD2-ND2 3.22Å; I60-N78 PolarHBondContact O-OD1 2.64Å; D61-N78 WeakPolarHBondContact CA-OD1 3.42Å; E62-N78 PolarHBondContact N-OD1 2.89Å; E62-N78 PolarHBondContact OE2-OD1 2.86Å; C63-N78 PolarHBondContact SG-N 3.09Å; C63-N78 VanDerWaalsContact SG-N 3.42Å
79Q70.8Confident66.4Low99 Ų9982.3 Ų82.346%0.46345%0.446SS..EExtended strand (participates in β ladder)trans-133.5161.2177.3-62.5-165.2-15.100110.2D59 G81 G82 L84D59-Q79 VanDerWaalsContact OD1-O 3.08Å; Q79-G81 PolarHBondContact O-N 3.38Å; Q79-G82 CarbonylContact C-O 3.24Å; Q79-G82 WeakPolarHBondContact CA-O 3.33Å; Q79-G82 WeakPolarHBondContact CB-O 3.06Å; Q79-G82 PolarHBondContact N-O 2.84Å; Q79-G82 PolarHBondContact O-N 3.48Å; Q79-G82 VanDerWaalsContact O-N 3.11Å; Q79-L84 HydrophobicContact CG-CB 4.35Å
80N66.9Low65.3Low135 Ų13588.5 Ų88.572%0.72248%0.476SS*.THydrogen-bonded Turntrans-68.3109.4-178.9-168.159000110.8F48 D59F48-N80 VanDerWaalsContact CE1-OD1 3.26Å; F48-N80 WeakPolarHBondContact CE1-OD1 3.35Å; D59-N80 WeakPolarHBondContact OD1-CA 3.45Å
81G58.5Low64.3Low33 Ų3392.2 Ų92.234%0.3450%0.5SS..THydrogen-bonded Turntrans91.214.1-176.900000115.2F48 D59 Q79F48-G81 VanDerWaalsContact CZ-CA 3.43Å; F48-G81 VanDerWaalsContact CZ-N 3.32Å; D59-G81 PolarHBondContact OD1-N 2.78Å; Q79-G81 PolarHBondContact O-N 3.38Å
82G68.5Low63Low20 Ų2087.4 Ų87.421%0.20650%0.495CS..EExtended strand (participates in β ladder)trans160.5-170.7176.700000114.4E62 Q79E62-G82 WeakPolarHBondContact OE1-CA 3.17Å; E62-G82 VanDerWaalsContact OE2-CA 3.23Å; E62-G82 WeakPolarHBondContact OE2-CA 2.94Å; Q79-G82 CarbonylContact C-O 3.24Å; Q79-G82 WeakPolarHBondContact CA-O 3.33Å; Q79-G82 WeakPolarHBondContact CB-O 3.06Å; Q79-G82 PolarHBondContact N-O 2.84Å; Q79-G82 PolarHBondContact O-N 3.48Å; Q79-G82 VanDerWaalsContact O-N 3.11Å
83Y75.6Confident61.1Low94 Ų9495.4 Ų95.437%0.36951%0.506SS..EExtended strand (participates in β ladder)trans-125.2153.4-178.765.7-80.6000113.3E62 I66 A69 C76E62-Y83 HydrophobicContact CB-CD1 3.39Å; E62-Y83 HydrophobicContact CB-CE1 4.02Å; E62-Y83 HydrophobicContact CB-CG 4.07Å; E62-Y83 HydrophobicContact CG-CD1 3.92Å; E62-Y83 HydrophobicContact CG-CE1 4.46Å; E62-Y83 PolarHBondContact OE2-N 2.77Å; I66-Y83 HydrophobicContact CD1-CE1 4.25Å; A69-Y83 HydrophobicContact CB-CD2 4.18Å; A69-Y83 HydrophobicContact CB-CE2 3.81Å; A69-Y83 WeakPolarHBondContact O-CE2 3.05Å; A69-Y83 PolarHBondContact O-OH 2.96Å; C76-Y83 WeakPolarHBondContact SG-CD2 3.02Å
84L67.6Low59.7Low81 Ų8199.9 Ų99.942%0.42451%0.513SS..EExtended strand (participates in β ladder)trans-115.6133177.4-175.769.3000111C76 V77 Q79 I86C76-L84 CarbonylContact C-O 3.58Å; V77-L84 PolarHBondContact N-O 2.85Å; V77-L84 PolarHBondContact O-N 2.82Å; Q79-L84 HydrophobicContact CG-CB 4.35Å; L84-I86 HydrophobicContact CD2-CG2 3.96Å; L84-I86 HydrophobicContact CG-CG2 4.08Å
85C73.6Confident57.9Low43 Ų4399.4 Ų99.429%0.29153%0.526SS..EExtended strand (participates in β ladder)trans-97.6122.6174.8-59.40000110.8C70 M74 M75C70-C85 VanDerWaalsContact CA-SG 3.58Å; C70-C85 HydrophobicContact CB-CB 3.75Å; C70-C85 WeakPolarHBondContact CB-SG 3.4Å; C70-C85 VanDerWaalsContact SG-CA 3.52Å; C70-C85 WeakPolarHBondContact SG-CB 3.26Å; C70-C85 CovalentContact SG-SG 2.02Å; C70-C85 PolarHBondContact SG-SG 2.89Å; M74-C85 HydrophobicContact CB-CB 4.24Å; M74-C85 HydrophobicContact SD-CB 4.06Å; M75-C85 WeakPolarHBondContact O-CA 3.48Å
86I69.8Low56.8Low63 Ų63100.7 Ų100.732%0.32354%0.541SS..EExtended strand (participates in β ladder)trans-122.9151.5177.366.4175.5000110.6M74 M75 V77 L84M74-I86 CarbonylContact C-O 3.53Å; M74-I86 VanDerWaalsContact CA-O 3.31Å; M74-I86 WeakPolarHBondContact CA-O 3.2Å; M75-I86 HydrophobicContact CE-CD1 4.36Å; M75-I86 HydrophobicContact CG-CD1 4Å; M75-I86 HydrophobicContact CG-CG1 3.34Å; M75-I86 WeakPolarHBondContact CG-O 3.26Å; M75-I86 PolarHBondContact N-O 2.95Å; M75-I86 PolarHBondContact O-N 2.76Å; M75-I86 HydrophobicContact SD-CD1 3.99Å; M75-I86 HydrophobicContact SD-CG1 3.99Å; V77-I86 HydrophobicContact CG2-CD1 3.72Å; V77-I86 HydrophobicContact CG2-CG1 4.05Å; L84-I86 HydrophobicContact CD2-CG2 3.96Å; L84-I86 HydrophobicContact CG-CG2 4.08Å
87P59.1Low54.8Low91 Ų91109.5 Ų109.559%0.59157%0.571SS**EExtended strand (participates in β ladder)trans-69.5143.3-176.69-7.2000114.2T89P87-T89 PolarHBondContact O-N 2.87Å; P87-T89 VanDerWaalsContact O-N 3.11Å
88R56.3Low52.6Low173 Ų173112.8 Ų112.865%0.65360%0.596SS**  trans-73.712.6-177.2-79.2-176.6-167.1-135.45.1116.5D73 M74 M75 N90D73-R88 VanDerWaalsContact O-CB 3.25Å; D73-R88 WeakPolarHBondContact O-CB 3.41Å; D73-R88 WeakPolarHBondContact O-CG 3.26Å; D73-R88 PolarHBondContact O-N 2.86Å; M74-R88 PolarHBondContact O-NE 3.46Å; M75-R88 HydrophobicContact CB-CG 3.9Å; M75-R88 HydrophobicContact CG-CG 4.41Å; R88-N90 PolarHBondContact O-N 3.49Å
89T49.8Very low50.9Low127 Ų127117.2 Ų117.278%0.77962%0.62SS**  trans-8087.1172.851.10000111P87P87-T89 PolarHBondContact O-N 2.87Å; P87-T89 VanDerWaalsContact O-N 3.11Å
90N37.3Very low49.6Very low149 Ų149117 Ų11780%0.79763%0.627SS**  trans-2.3158.3143-125.816.9000118.2R88R88-N90 PolarHBondContact O-N 3.49Å
91P48Very low48Very low96 Ų96120.3 Ų120.362%0.62363%0.631SS**  -141.7179-50.432-11.5000114.9
92V31.8Very low46.5Very low125 Ų125124.7 Ų124.776%0.75866%0.656SS**  trans95.390.6153.9-158.80000117.7
93Y26.8Very low45.1Very low237 Ų237129.9 Ų129.993%0.92968%0.684SS**  -132.3110.6126.6-127.5-96.1000108.5
94R32.3Very low43.6Very low234 Ų234130.5 Ų130.588%0.88370%0.699SS**  trans-112.2127.4164.1-105.1-168.5-173.1-144.63.7106.7
95G32Very low41.8Very low63 Ų63137.2 Ų137.265%0.64972%0.72SS**  trans-81.3-154.2158.200000111.1
96P49.6Very low39.9Very low108 Ų108140.2 Ų140.270%0.70174%0.742SS**  cis-144.7178-15.434.6-11.5000115.5
97Y31.1Very low38.4Very low221 Ų221140.3 Ų140.387%0.86776%0.759SS**  trans65.6112.5159.8-57.8-67.6000123.4
98S28Very low37.6Very low124 Ų124141.9 Ų141.987%0.86777%0.769SS**  -174.3129.910838.60000112.5
99N35.4Very low36.5Very low146 Ų146144.6 Ų144.678%0.78178%0.781SS**  trans-72.7174.5162.6-148.216.7000108.4
100P43.4Very low36.2Very low93 Ų93144 Ų14460%0.60478%0.779SS**  cis-149-178.69.745.8-24.6000117.8
101Y32.8Very low36Very low206 Ų206141.6 Ų141.681%0.80878%0.78SS**  trans45.1111.4156.4-71.2-75.3000120
102S28.2Very low35.1Very low124 Ų124141.8 Ų141.887%0.86779%0.79SS**  -170.6139.6114.532.60000111
103T38.9Very low35.2Very low129 Ų129140.4 Ų140.479%0.79179%0.791SS**  trans-88.9-167.6-172.662.20000110.7
104P44.4Very low36.2Very low107 Ų107134.7 Ų134.770%0.69578%0.783SS**  trans-99.3149.8-130.622.41.1000112.2
105Y28.4Very low36.4Very low222 Ų222129.8 Ų129.887%0.87178%0.782SS**  trans-144.8121.2157.1-107.8-86000111.3
106S35.3Very low36.5Very low106 Ų106134.6 Ų134.674%0.74179%0.792SS**  trans-32137.2145.947.50000113.6
107G37.4Very low36.1Very low66 Ų66134.5 Ų134.568%0.6879%0.793SS**  trans-175.6146.816300000112.9
108P42.6Very low36.2Very low124 Ų124128.5 Ų128.581%0.80579%0.79SS**PPolyproline II helixtrans-96.1149.8-149.335.4-27.3000111.9
109Y33.8Very low36.7Very low230 Ų230128 Ų12890%0.90278%0.783SS**PPolyproline II helixtrans-96.8145.6161.2-78.3-70.3000110.5
110P42.5Very low37.2Very low113 Ų113128.6 Ų128.673%0.73479%0.787SS**PPolyproline II helix-103.2167.1-129-1.223.3000112.8
111A33.1Very low36.7Very low100 Ų100134.3 Ų134.383%0.82680%0.798SS**PPolyproline II helixtrans-54.8140.7176.600000113.8
112A30.1Very low36.8Very low100 Ų100129.9 Ų129.983%0.82679%0.794SS**PPolyproline II helixtrans-57.9146.5154.800000112.2
113A32.3Very low37.1Very low95 Ų95130.9 Ų130.979%0.78580%0.795SS**  trans-176.9157134.700000109.6
114P48.5Very low37.1Very low118 Ų118132.1 Ų132.177%0.76680%0.795SS**  cis-118.5175.5-44.934.7-19.5000110.6
115P35.8Very low37Very low131 Ų131132.5 Ų132.585%0.85180%0.8SS**  -133.6159.8125.330.2-15.7000114.3
116L35.3Very low37.8Very low163 Ų163132.9 Ų132.985%0.85380%0.8SS**  trans-59.1137.8-172-68.9146.5000114.9
117S41.2Very low38.6Very low106 Ų106132.6 Ų132.674%0.74180%0.796SS**  trans15.1134.9145.653.50000122.6
118A31.9Very low39.5Very low96 Ų96135.1 Ų135.179%0.79379%0.793SS**  trans106.3151.2141.500000117.2
119P39.3Very low40.5Very low112 Ų112136 Ų13673%0.72779%0.79SS**  cis-128.2169.6-23.330.3-9.9000114.1
120N47Very low42Very low159 Ų159126.2 Ų126.285%0.8575%0.754SS**  trans-61.2132.1173.2-91.6-38.8000113.9
121Y31.3Very low43.4Very low214 Ų214131 Ų13184%0.83976%0.758SS**  trans-148.8152.5153.6-82.7-74.8000110.3
122P35.1Very low45.2Very low112 Ų112136 Ų13673%0.72776%0.761SS**  trans-83.8154.5-144.632.2-35.4000115.7
123T34.9Very low47.1Very low145 Ų145131.8 Ų131.889%0.8973%0.728SS**  trans-64.1129.5173.922.70000112.7
124I38.3Very low49.4Very low155 Ų155130.1 Ų130.180%0.79570%0.702SS**  trans-109.8120.3162.4-68175.9000107.4R126I124-R126 PolarHBondContact O-N 3.4Å
125S43.4Very low51Low115 Ų115130 Ų13080%0.80469%0.691SS**  trans-63.4111.5175.152.20000110.9
126R44.7Very low52.8Low231 Ų231127.1 Ų127.187%0.87267%0.667SS**  trans-77.7132165.4-84.6176.373.5-177.72.8108.9I124I124-R126 PolarHBondContact O-N 3.4Å
127P52.1Low54.8Low100 Ų100123.6 Ų123.665%0.64965%0.649SS**  trans-61.9140.3174.425.7-31.5000109.7I129P127-I129 HydrophobicContact CG-CD1 4.21Å; P127-I129 HydrophobicContact CG-CG1 4.41Å; P127-I129 PolarHBondContact O-N 3.13Å
128L57.3Low56.4Low119 Ų119128.1 Ų128.162%0.62366%0.658SS**  trans-66.4101.4174.9-136.386.5000107.6M136 N140L128-M136 HydrophobicContact CB-CE 3.97Å; L128-M136 HydrophobicContact CD2-CE 3.57Å; L128-M136 HydrophobicContact CD2-SD 3.93Å; L128-M136 HydrophobicContact CG-CE 4.36Å; L128-N140 WeakPolarHBondContact CD2-O 3.45Å
129I61.7Low58.4Low143 Ų143126.3 Ų126.373%0.73365%0.649SS**  trans-109117.3174.4-61.4169.8000105.6P127P127-I129 HydrophobicContact CG-CD1 4.21Å; P127-I129 HydrophobicContact CG-CG1 4.41Å; P127-I129 PolarHBondContact O-N 3.13Å
130C65.9Low59.9Low23 Ų23126.6 Ų126.616%0.15565%0.645CS.*PPolyproline II helixtrans-61.7151.5175.6-67.60000111.3Y134 M136 C142C130-Y134 WeakPolarHBondContact CB-O 3.45Å; C130-M136 WeakPolarHBondContact SG-CG 3.32Å; C130-M136 PolarHBondContact SG-SD 3.26Å; C130-C142 WeakPolarHBondContact CA-SG 3.29Å; C130-C142 HydrophobicContact CB-CB 3.89Å; C130-C142 WeakPolarHBondContact CB-SG 3.47Å; C130-C142 WeakPolarHBondContact SG-CA 3.29Å; C130-C142 WeakPolarHBondContact SG-CB 3.28Å; C130-C142 CovalentContact SG-SG 2.04Å; C130-C142 PolarHBondContact SG-SG 3.34Å
131R72Confident61.3Low213 Ų213125.8 Ų125.880%0.80464%0.636SS**PPolyproline II helixtrans-66.1156.8173.9-66-176.8178.7-174.10.9109.4G133 Y134R131-G133 PolarHBondContact O-N 3.05Å; R131-Y134 HydrophobicContact CB-CD2 4.28Å; R131-Y134 PolarHBondContact O-N 3.05Å; R131-Y134 VanDerWaalsContact O-N 3.09Å
132F70.9Confident63.5Low205 Ų205118.1 Ų118.190%0.89961%0.613SS**THydrogen-bonded Turntrans-53.7132.9175.9-165.1-89.4000109.7
133G71.1Confident65.8Low12 Ų12115.2 Ų115.212%0.12459%0.593CS.*THydrogen-bonded Turntrans92.40.2-172.600000115.6R131 V145R131-G133 PolarHBondContact O-N 3.05Å; G133-V145 PolarHBondContact O-N 3.15Å
134Y80.2Confident68.2Low61 Ų61110.6 Ų110.624%0.23956%0.563CS.*EExtended strand (participates in β ladder)trans-128.1142.4179.8-64.2-104.4000112.1C130 R131 C142 V143 D144 E165 G166C130-Y134 WeakPolarHBondContact CB-O 3.45Å; R131-Y134 HydrophobicContact CB-CD2 4.28Å; R131-Y134 PolarHBondContact O-N 3.05Å; R131-Y134 VanDerWaalsContact O-N 3.09Å; Y134-C142 HydrophobicContact CD1-CB 4.27Å; Y134-C142 HydrophobicContact CG-CB 4.44Å; Y134-V143 CarbonylContact C-O 3.5Å; Y134-V143 VanDerWaalsContact CA-O 3.24Å; Y134-V143 WeakPolarHBondContact CA-O 3.4Å; Y134-V143 WeakPolarHBondContact CB-O 3.42Å; Y134-D144 HydrophobicContact CD1-CB 4.38Å; Y134-D144 HydrophobicContact CE1-CB 4.24Å; Y134-E165 HydrophobicContact CE1-CG 4.46Å; Y134-E165 WeakPolarHBondContact OH-CG 3.45Å; Y134-G166 PolarHBondContact OH-N 3.22Å
135Q81.9Confident70.4Confident115 Ų115104.5 Ų104.554%0.53753%0.533SS..EExtended strand (participates in β ladder)trans-114.7150.9174.765.7-176.72.400111.6D137 C142 V143 V145Q135-D137 PolarHBondContact O-N 3.07Å; Q135-C142 WeakPolarHBondContact O-CA 3.4Å; Q135-V143 HydrophobicContact CG-CG2 3.78Å; Q135-V143 PolarHBondContact N-O 3.17Å; Q135-V143 WeakPolarHBondContact O-CG2 3.31Å; Q135-V143 PolarHBondContact O-N 2.91Å; Q135-V145 HydrophobicContact CB-CG2 3.68Å; Q135-V145 HydrophobicContact CG-CG2 3.68Å
136M74Confident72.4Confident71 Ų71102 Ų10235%0.3551%0.511SS..EExtended strand (participates in β ladder)trans-78.3120.3176.4-73-75.3-88.800109.5L128 C130 N140L128-M136 HydrophobicContact CB-CE 3.97Å; L128-M136 HydrophobicContact CD2-CE 3.57Å; L128-M136 HydrophobicContact CD2-SD 3.93Å; L128-M136 HydrophobicContact CG-CE 4.36Å; C130-M136 WeakPolarHBondContact SG-CG 3.32Å; C130-M136 PolarHBondContact SG-SD 3.26Å; M136-N140 HydrophobicContact CE-CB 4.07Å
137D76.6Confident74.5Confident89 Ų8991.9 Ų91.948%0.47647%0.473SS..  trans-80.5167.7169.6-168.319.2000111.1Q135 G139 N140 Q141 V143Q135-D137 PolarHBondContact O-N 3.07Å; D137-G139 PolarHBondContact O-N 3.29Å; D137-N140 PolarHBondContact O-N 2.04Å; D137-Q141 PolarHBondContact N-O 3.25Å; D137-V143 HydrophobicContact CB-CG1 3.95Å; D137-V143 HydrophobicContact CB-CG2 4.05Å
138E75.1Confident76.2Confident200 Ų20088.4 Ų88.494%0.93545%0.451SS*.THydrogen-bonded Turntrans-55.7-19.2-178.1-64.2-172.3163.400113.4
139G73.2Confident77.6Confident59 Ų5986.5 Ų86.561%0.60845%0.452SS*.THydrogen-bonded Turntrans-88.110.7174.900000116.6D137 Q141D137-G139 PolarHBondContact O-N 3.29Å; G139-Q141 PolarHBondContact O-N 2.89Å
140N70.7Confident78.6Confident117 Ų11783.8 Ų83.863%0.62644%0.443SS*.SBendtrans59.327.7-174.4-89.37.6000114.1L128 M136 D137L128-N140 WeakPolarHBondContact CD2-O 3.45Å; M136-N140 HydrophobicContact CE-CB 4.07Å; D137-N140 PolarHBondContact O-N 2.04Å
141Q76.1Confident79.3Confident142 Ų14289.3 Ų89.366%0.66447%0.471SS*.  trans-108.3139.9173.8-69.8-171.8-19.100110.3D137 G139 V143D137-Q141 PolarHBondContact N-O 3.25Å; G139-Q141 PolarHBondContact O-N 2.89Å; Q141-V143 PolarHBondContact O-N 2.83Å
142C79.2Confident79.8Confident54 Ų5482.4 Ų82.437%0.36546%0.455SS..EExtended strand (participates in β ladder)trans-77.5108.9175.1-64.60000108.9C130 Y134 Q135C130-C142 WeakPolarHBondContact CA-SG 3.29Å; C130-C142 HydrophobicContact CB-CB 3.89Å; C130-C142 WeakPolarHBondContact CB-SG 3.47Å; C130-C142 WeakPolarHBondContact SG-CA 3.29Å; C130-C142 WeakPolarHBondContact SG-CB 3.28Å; C130-C142 CovalentContact SG-SG 2.04Å; C130-C142 PolarHBondContact SG-SG 3.34Å; Y134-C142 HydrophobicContact CD1-CB 4.27Å; Y134-C142 HydrophobicContact CG-CB 4.44Å; Q135-C142 WeakPolarHBondContact O-CA 3.4Å
143V83.1Confident80.3Confident51 Ų5175.1 Ų75.131%0.30942%0.423SS..EExtended strand (participates in β ladder)trans-97.9143.9172-62.50000109.3Y134 Q135 D137 Q141Y134-V143 CarbonylContact C-O 3.5Å; Y134-V143 VanDerWaalsContact CA-O 3.24Å; Y134-V143 WeakPolarHBondContact CA-O 3.4Å; Y134-V143 WeakPolarHBondContact CB-O 3.42Å; Q135-V143 HydrophobicContact CG-CG2 3.78Å; Q135-V143 PolarHBondContact N-O 3.17Å; Q135-V143 WeakPolarHBondContact O-CG2 3.31Å; Q135-V143 PolarHBondContact O-N 2.91Å; D137-V143 HydrophobicContact CB-CG1 3.95Å; D137-V143 HydrophobicContact CB-CG2 4.05Å; Q141-V143 PolarHBondContact O-N 2.83Å
144D84.3Confident80.9Confident47 Ų4782.9 Ų82.925%0.25146%0.456SS..EExtended strand (participates in β ladder)trans-57.9136.3175.5-175.660.5000110.7Y134 N163 G166Y134-D144 HydrophobicContact CD1-CB 4.38Å; Y134-D144 HydrophobicContact CE1-CB 4.24Å; D144-N163 PolarHBondContact OD2-ND2 3.17Å; D144-G166 WeakPolarHBondContact OD1-CA 3.49Å; D144-G166 PolarHBondContact OD1-N 2.81Å
145V85.4Confident81.1Confident27 Ų2780.7 Ų80.716%0.16445%0.45CS..  trans-87.4114.7174.4177.40000107.3G133 Q135 E147G133-V145 PolarHBondContact O-N 3.15Å; Q135-V145 HydrophobicContact CB-CG2 3.68Å; Q135-V145 HydrophobicContact CG-CG2 3.68Å; V145-E147 HydrophobicContact CG1-CG 4.26Å; V145-E147 PolarHBondContact O-N 3.46Å; V145-E147 VanDerWaalsContact O-OE2 3.11Å
146D85.1Confident81Confident64 Ų6477.8 Ų77.834%0.34244%0.438SS..  trans-73.692.6172.3-170.2-22.7000109.8C148 A149 T150D146-C148 PolarHBondContact O-N 2.76Å; D146-C148 WeakPolarHBondContact OD1-CA 3.39Å; D146-C148 VanDerWaalsContact OD1-CB 3.29Å; D146-C148 WeakPolarHBondContact OD1-CB 3.25Å; D146-C148 PolarHBondContact OD1-N 2.78Å; D146-A149 HydrophobicContact CB-CB 3.92Å; D146-A149 VanDerWaalsContact CG-CB 3.5Å; D146-A149 PolarHBondContact O-N 2.86Å; D146-A149 PolarHBondContact OD1-N 2.86Å; D146-T150 PolarHBondContact O-N 2.78Å; D146-T150 PolarHBondContact O-OG1 2.8Å
147E89Confident81.2Confident17 Ų1780.8 Ų80.88%0.07946%0.463CS..THydrogen-bonded Turntrans-67.7-18.8179.2-61.396.9172.700112.6V145 T150 D151 S152 H153 N163 G167 Y168V145-E147 HydrophobicContact CG1-CG 4.26Å; V145-E147 PolarHBondContact O-N 3.46Å; V145-E147 VanDerWaalsContact O-OE2 3.11Å; E147-T150 WeakPolarHBondContact CA-OG1 3.09Å; E147-D151 PolarHBondContact O-N 2.8Å; E147-S152 WeakPolarHBondContact CB-OG 3.09Å; E147-S152 PolarHBondContact O-N 2.81Å; E147-S152 VanDerWaalsContact O-N 3.09Å; E147-H153 PolarHBondContact O-CD2 2.84Å; E147-N163 PolarHBondContact OE2-OD1 2.91Å; E147-G167 WeakPolarHBondContact OE2-CA 3.28Å; E147-Y168 HydrophobicContact CB-CD1 3.69Å; E147-Y168 HydrophobicContact CB-CE1 4.37Å; E147-Y168 HydrophobicContact CB-CG 4.27Å; E147-Y168 HydrophobicContact CG-CD1 3.93Å; E147-Y168 HydrophobicContact CG-CE1 4.49Å; E147-Y168 PolarHBondContact OE2-N 3.44Å
148C87.5Confident81.1Confident28 Ų2880.4 Ų80.419%0.18946%0.464CS..THydrogen-bonded Turntrans-78-38.5175.2-52.70000111.9D146 T150 C161 I162 N163D146-C148 PolarHBondContact O-N 2.76Å; D146-C148 WeakPolarHBondContact OD1-CA 3.39Å; D146-C148 VanDerWaalsContact OD1-CB 3.29Å; D146-C148 WeakPolarHBondContact OD1-CB 3.25Å; D146-C148 PolarHBondContact OD1-N 2.78Å; C148-T150 VanDerWaalsContact C-N 3.3Å; C148-C161 WeakPolarHBondContact CA-SG 3.5Å; C148-C161 HydrophobicContact CB-CB 3.75Å; C148-C161 WeakPolarHBondContact CB-SG 3.41Å; C148-C161 WeakPolarHBondContact SG-CB 3.33Å; C148-C161 PolarHBondContact SG-O 2.76Å; C148-C161 CovalentContact SG-SG 2.04Å; C148-C161 PolarHBondContact SG-SG 2.97Å; C148-I162 VanDerWaalsContact SG-C 3.57Å; C148-N163 PolarHBondContact SG-N 3.05Å
149A86Confident81.5Confident78 Ų7872.2 Ų72.265%0.64543%0.426SS*.THydrogen-bonded Turntrans-74.2-22.717600000113.3D146D146-A149 HydrophobicContact CB-CB 3.92Å; D146-A149 VanDerWaalsContact CG-CB 3.5Å; D146-A149 PolarHBondContact O-N 2.86Å; D146-A149 PolarHBondContact OD1-N 2.86Å
150T83.6Confident82.2Confident87 Ų8773.3 Ų73.353%0.53442%0.417SS..THydrogen-bonded Turntrans-101.74.1-176.953.50000113.8D146 E147 C148 S152D146-T150 PolarHBondContact O-N 2.78Å; D146-T150 PolarHBondContact O-OG1 2.8Å; E147-T150 WeakPolarHBondContact CA-OG1 3.09Å; C148-T150 VanDerWaalsContact C-N 3.3Å; T150-S152 PolarHBondContact O-N 2.79Å; T150-S152 VanDerWaalsContact O-N 3.1Å; T150-S152 PolarHBondContact OG1-OG 3.45Å
151D79.9Confident83Confident139 Ų13968.9 Ų68.974%0.74340%0.395SS*.THydrogen-bonded Turntrans52.524.2-176.4-86.2-23.7000113.7E147 H153E147-D151 PolarHBondContact O-N 2.8Å; D151-H153 VanDerWaalsContact C-N 3.34Å; D151-H153 IonicContact OD1-NE2 3.78Å
152S82.3Confident83.6Confident68 Ų6865.8 Ų65.848%0.47638%0.382SS..  trans-915.7-17964.20000113.9E147 T150E147-S152 WeakPolarHBondContact CB-OG 3.09Å; E147-S152 PolarHBondContact O-N 2.81Å; E147-S152 VanDerWaalsContact O-N 3.09Å; T150-S152 PolarHBondContact O-N 2.79Å; T150-S152 VanDerWaalsContact O-N 3.1Å; T150-S152 PolarHBondContact OG1-OG 3.45Å
153H82Confident84Confident51 Ų5165.6 Ų65.624%0.23638%0.377CS..  trans-80.6157.3178.364.178.3000113.2E147 D151 C155 C161 Y168E147-H153 PolarHBondContact O-CD2 2.84Å; D151-H153 VanDerWaalsContact C-N 3.34Å; D151-H153 IonicContact OD1-NE2 3.78Å; H153-C155 PolarHBondContact ND1-N 2.89Å; H153-C161 VanDerWaalsContact CD2-SG 3.5Å; H153-C161 VanDerWaalsContact CG-SG 3.56Å; H153-Y168 HydrophobicContact CB-CD1 4.26Å; H153-Y168 HydrophobicContact CB-CD2 3.72Å; H153-Y168 HydrophobicContact CB-CE1 4.19Å; H153-Y168 HydrophobicContact CB-CE2 3.63Å; H153-Y168 HydrophobicContact CB-CG 4.04Å
154Q84.2Confident84.2Confident175 Ų17566.1 Ų66.182%0.81838%0.381SS*.  trans-105.320178-61.5177.335.800113.3Y168Q154-Y168 WeakPolarHBondContact CB-OH 3.39Å; Q154-Y168 PolarHBondContact N-OH 2.77Å
155C82.9Confident84.2Confident15 Ų1572.1 Ų72.110%0.10141%0.407CS..  trans-60.8145.5174.8-54.10000112.1H153 Q159 C170H153-C155 PolarHBondContact ND1-N 2.89Å; C155-Q159 HydrophobicContact CB-CB 4.24Å; C155-C170 WeakPolarHBondContact CA-SG 3.42Å; C155-C170 HydrophobicContact CB-CB 3.76Å; C155-C170 WeakPolarHBondContact CB-SG 3.4Å; C155-C170 WeakPolarHBondContact SG-CB 3.47Å; C155-C170 CovalentContact SG-SG 2.03Å; C155-C170 PolarHBondContact SG-SG 2.96Å
156N80.7Confident84Confident54 Ų5472 Ų7229%0.28941%0.412SS..  trans-62.9144.4172.3-173.5-41.5000109.6T158 Q159 G181N156-T158 PolarHBondContact O-N 2.92Å; N156-T158 PolarHBondContact OD1-N 3.26Å; N156-T158 VanDerWaalsContact OD1-N 3.16Å; N156-T158 PolarHBondContact OD1-OG1 3.44Å; N156-Q159 HydrophobicContact CB-CG 4.04Å; N156-Q159 WeakPolarHBondContact O-CB 3.49Å; N156-Q159 PolarHBondContact O-N 2.85Å; N156-G181 PolarHBondContact ND2-O 3.25Å
157P78.5Confident84.1Confident135 Ų13569.6 Ų69.688%0.87740%0.402SS*.THydrogen-bonded Turntrans-50.8-21.3174.3-3033.7000116.1
158T73.9Confident84Confident81 Ų8172.3 Ų72.350%0.49741%0.412SS..THydrogen-bonded Turntrans-88.4-0.4175.964.20000114.2N156 C183N156-T158 PolarHBondContact O-N 2.92Å; N156-T158 PolarHBondContact OD1-N 3.26Å; N156-T158 VanDerWaalsContact OD1-N 3.16Å; N156-T158 PolarHBondContact OD1-OG1 3.44Å; T158-C183 PolarHBondContact O-SG 3.07Å; T158-C183 VanDerWaalsContact O-SG 3.41Å
159Q85Confident83.9Confident28 Ų2874.4 Ų74.413%0.13142%0.424CS..SBendtrans-109153-178.7-68.7163.8-2.700110.6C155 N156 C170 S171 G181 C183C155-Q159 HydrophobicContact CB-CB 4.24Å; N156-Q159 HydrophobicContact CB-CG 4.04Å; N156-Q159 WeakPolarHBondContact O-CB 3.49Å; N156-Q159 PolarHBondContact O-N 2.85Å; Q159-C170 HydrophobicContact CB-CB 4.33Å; Q159-S171 CarbonylContact C-O 3.46Å; Q159-S171 WeakPolarHBondContact CA-O 3.49Å; Q159-G181 PolarHBondContact NE2-O 3.36Å; Q159-G181 VanDerWaalsContact NE2-O 3.13Å; Q159-C183 VanDerWaalsContact CG-SG 3.54Å
160I86.9Confident83.9Confident82 Ų8272.1 Ų72.142%0.42140%0.403SS..EExtended strand (participates in β ladder)trans-94.6130.9171.7-61.5171.7000108.4I162 C170 S171 T173I160-I162 HydrophobicContact CG2-CG1 4.44Å; I160-C170 WeakPolarHBondContact O-CA 3.09Å; I160-S171 PolarHBondContact N-O 3.14Å; I160-S171 PolarHBondContact O-N 3.03Å; I160-T173 HydrophobicContact CD1-CG2 3.41Å; I160-T173 VanDerWaalsContact CD1-CG2 3.41Å; I160-T173 HydrophobicContact CG1-CG2 4.13Å
161C88.3Confident84.1Confident24 Ų2469.9 Ų69.916%0.16239%0.391CS..EExtended strand (participates in β ladder)trans-80126170.1-174.90000109.3C148 H153C148-C161 WeakPolarHBondContact CA-SG 3.5Å; C148-C161 HydrophobicContact CB-CB 3.75Å; C148-C161 WeakPolarHBondContact CB-SG 3.41Å; C148-C161 WeakPolarHBondContact SG-CB 3.33Å; C148-C161 PolarHBondContact SG-O 2.76Å; C148-C161 CovalentContact SG-SG 2.04Å; C148-C161 PolarHBondContact SG-SG 2.97Å; H153-C161 VanDerWaalsContact CD2-SG 3.5Å; H153-C161 VanDerWaalsContact CG-SG 3.56Å
162I88.8Confident84.5Confident77 Ų7764.2 Ų64.240%0.39536%0.362SS..EExtended strand (participates in β ladder)trans-116116.8173.3-59174.7000107.4C148 I160 T169 S171C148-I162 VanDerWaalsContact SG-C 3.57Å; I160-I162 HydrophobicContact CG2-CG1 4.44Å; I162-T169 HydrophobicContact CB-CG2 3.79Å; I162-T169 HydrophobicContact CG2-CG2 4.24Å; I162-T169 PolarHBondContact N-O 2.9Å; I162-T169 PolarHBondContact O-N 3.19Å; I162-S171 VanDerWaalsContact CD1-OG 3.23Å; I162-S171 WeakPolarHBondContact CD1-OG 3.28Å
163N87.6Confident84.7Confident50 Ų5063.8 Ų63.827%0.26736%0.357SS..EExtended strand (participates in β ladder)trans-70.6136.2177-171.739.1000110.6D144 E147 C148 G167D144-N163 PolarHBondContact OD2-ND2 3.17Å; E147-N163 PolarHBondContact OE2-OD1 2.91Å; C148-N163 PolarHBondContact SG-N 3.05Å; N163-G167 PolarHBondContact OD1-O 2.77Å
164T86.6Confident84.8Confident61 Ų6168.9 Ų68.937%0.37439%0.386SS..EExtended strand (participates in β ladder)trans-130.3157-18059.20000109.9G166 G167 T169T164-G166 PolarHBondContact O-N 3.43Å; T164-G167 CarbonylContact C-O 3.55Å; T164-G167 VanDerWaalsContact C-O 3.24Å; T164-G167 VanDerWaalsContact CA-O 3.25Å; T164-G167 WeakPolarHBondContact CA-O 3.46Å; T164-G167 WeakPolarHBondContact CB-O 3.49Å; T164-G167 PolarHBondContact N-O 3.26Å; T164-G167 CarbonylContact O-C 3.54Å; T164-G167 PolarHBondContact O-N 2.77Å; T164-G167 PolarHBondContact OG1-O 2.97Å; T164-T169 HydrophobicContact CG2-CG2 3.92Å
165E84.9Confident84.8Confident173 Ų17361.4 Ų61.481%0.80836%0.355SS*.THydrogen-bonded Turntrans-64.4107.4-177.6178173.5-165.400111.3Y134Y134-E165 HydrophobicContact CE1-CG 4.46Å; Y134-E165 WeakPolarHBondContact OH-CG 3.45Å
166G80.7Confident85.1Confident25 Ų2563.9 Ų63.926%0.25836%0.363SS..THydrogen-bonded Turntrans91.815.3-17700000116.4Y134 D144 T164Y134-G166 PolarHBondContact OH-N 3.22Å; D144-G166 WeakPolarHBondContact OD1-CA 3.49Å; D144-G166 PolarHBondContact OD1-N 2.81Å; T164-G166 PolarHBondContact O-N 3.43Å
167G86.6Confident85.3Confident14 Ų1467.2 Ų67.214%0.14437%0.371CS..EExtended strand (participates in β ladder)trans160.5-164.1172.300000112.9E147 N163 T164E147-G167 WeakPolarHBondContact OE2-CA 3.28Å; N163-G167 PolarHBondContact OD1-O 2.77Å; T164-G167 CarbonylContact C-O 3.55Å; T164-G167 VanDerWaalsContact C-O 3.24Å; T164-G167 VanDerWaalsContact CA-O 3.25Å; T164-G167 WeakPolarHBondContact CA-O 3.46Å; T164-G167 WeakPolarHBondContact CB-O 3.49Å; T164-G167 PolarHBondContact N-O 3.26Å; T164-G167 CarbonylContact O-C 3.54Å; T164-G167 PolarHBondContact O-N 2.77Å; T164-G167 PolarHBondContact OG1-O 2.97Å
168Y86.9Confident85.6Confident74 Ų7464.8 Ų64.829%0.2935%0.351SS..EExtended strand (participates in β ladder)trans-124156.5-178.365.1-82.4000112.5E147 H153 Q154E147-Y168 HydrophobicContact CB-CD1 3.69Å; E147-Y168 HydrophobicContact CB-CE1 4.37Å; E147-Y168 HydrophobicContact CB-CG 4.27Å; E147-Y168 HydrophobicContact CG-CD1 3.93Å; E147-Y168 HydrophobicContact CG-CE1 4.49Å; E147-Y168 PolarHBondContact OE2-N 3.44Å; H153-Y168 HydrophobicContact CB-CD1 4.26Å; H153-Y168 HydrophobicContact CB-CD2 3.72Å; H153-Y168 HydrophobicContact CB-CE1 4.19Å; H153-Y168 HydrophobicContact CB-CE2 3.63Å; H153-Y168 HydrophobicContact CB-CG 4.04Å; Q154-Y168 WeakPolarHBondContact CB-OH 3.39Å; Q154-Y168 PolarHBondContact N-OH 2.77Å
169T85.9Confident86.1Confident71 Ų7164.4 Ų64.444%0.43635%0.345SS..EExtended strand (participates in β ladder)trans-120.4143.8168.4-169.60000110.3I162 T164I162-T169 HydrophobicContact CB-CG2 3.79Å; I162-T169 HydrophobicContact CG2-CG2 4.24Å; I162-T169 PolarHBondContact N-O 2.9Å; I162-T169 PolarHBondContact O-N 3.19Å; T164-T169 HydrophobicContact CG2-CG2 3.92Å
170C86.4Confident85.9Confident31 Ų3172.2 Ų72.221%0.20938%0.382CS..EExtended strand (participates in β ladder)trans-103.7122.9176.3-49.90000108.8C155 Q159 I160C155-C170 WeakPolarHBondContact CA-SG 3.42Å; C155-C170 HydrophobicContact CB-CB 3.76Å; C155-C170 WeakPolarHBondContact CB-SG 3.4Å; C155-C170 WeakPolarHBondContact SG-CB 3.47Å; C155-C170 CovalentContact SG-SG 2.03Å; C155-C170 PolarHBondContact SG-SG 2.96Å; Q159-C170 HydrophobicContact CB-CB 4.33Å; I160-C170 WeakPolarHBondContact O-CA 3.09Å
171S86.6Confident85.4Confident40 Ų4070 Ų7028%0.2838%0.379SS..EExtended strand (participates in β ladder)trans-121.6162175.172.50000110.9Q159 I160 I162Q159-S171 CarbonylContact C-O 3.46Å; Q159-S171 WeakPolarHBondContact CA-O 3.49Å; I160-S171 PolarHBondContact N-O 3.14Å; I160-S171 PolarHBondContact O-N 3.03Å; I162-S171 VanDerWaalsContact CD1-OG 3.23Å; I162-S171 WeakPolarHBondContact CD1-OG 3.28Å
172C88.2Confident85.1Confident19 Ų1974.6 Ų74.613%0.12840%0.398CS..PPolyproline II helixtrans-83.1162.2168.9-62.10000110.6C183C172-C183 WeakPolarHBondContact CA-SG 3.46Å; C172-C183 HydrophobicContact CB-CB 3.77Å; C172-C183 WeakPolarHBondContact CB-SG 3.27Å; C172-C183 WeakPolarHBondContact SG-CA 3.32Å; C172-C183 WeakPolarHBondContact SG-CB 3.4Å; C172-C183 CovalentContact SG-SG 2.04Å; C172-C183 PolarHBondContact SG-SG 3.49Å
173T86.2Confident85.1Confident60 Ų6071.9 Ų71.937%0.36839%0.386SS..PPolyproline II helixtrans-60.7156.1166.6400000110.9I160 G175 Y176I160-T173 HydrophobicContact CD1-CG2 3.41Å; I160-T173 VanDerWaalsContact CD1-CG2 3.41Å; I160-T173 HydrophobicContact CG1-CG2 4.13Å; T173-G175 PolarHBondContact O-N 2.79Å; T173-Y176 WeakPolarHBondContact O-CB 3.49Å; T173-Y176 PolarHBondContact O-N 3.11Å; T173-Y176 VanDerWaalsContact O-N 3.09Å; T173-Y176 WeakPolarHBondContact OG1-CD2 3.35Å
174D85.3Confident85.1Confident158 Ų15872.8 Ų72.885%0.84539%0.39SS*.THydrogen-bonded Turntrans-52138.7172.3-65.9-31.1000110.6
175G83.7Confident85.3Confident17 Ų1771.8 Ų71.818%0.17538%0.383CS..THydrogen-bonded Turntrans87.2-0.9-173.600000114.9T173 I186T173-G175 PolarHBondContact O-N 2.79Å; G175-I186 WeakPolarHBondContact O-CB 3.39Å; G175-I186 WeakPolarHBondContact O-CG1 3.33Å; G175-I186 PolarHBondContact O-N 2.77Å
176Y89.1Confident85.6Confident67 Ų6766 Ų6626%0.26336%0.357SS..EExtended strand (participates in β ladder)trans-125.7145.5178.3-65.3-100.7000112T173 C183 L184 D185 P202 G203T173-Y176 WeakPolarHBondContact O-CB 3.49Å; T173-Y176 PolarHBondContact O-N 3.11Å; T173-Y176 VanDerWaalsContact O-N 3.09Å; T173-Y176 WeakPolarHBondContact OG1-CD2 3.35Å; Y176-C183 HydrophobicContact CD1-CB 4.33Å; Y176-L184 CarbonylContact C-O 3.58Å; Y176-L184 WeakPolarHBondContact CA-O 3.29Å; Y176-L184 WeakPolarHBondContact CB-O 3.25Å; Y176-L184 VanDerWaalsContact CD1-C 3.49Å; Y176-D185 HydrophobicContact CD1-CB 4.19Å; Y176-D185 HydrophobicContact CE1-CB 3.91Å; Y176-P202 VanDerWaalsContact OH-C 3.26Å; Y176-P202 WeakPolarHBondContact OH-CB 3.31Å; Y176-G203 PolarHBondContact OH-N 3.43Å
177W85.7Confident86.1Confident124 Ų12468 Ų6847%0.4736%0.362SS..EExtended strand (participates in β ladder)trans-115.6147.8174.670-63.5000111.1L179 L184 I186W177-L179 HydrophobicContact CE3-CB 4.33Å; W177-L179 HydrophobicContact CH2-CB 4.16Å; W177-L179 HydrophobicContact CH2-CD1 3.87Å; W177-L179 HydrophobicContact CH2-CD2 3.7Å; W177-L179 HydrophobicContact CH2-CG 4.12Å; W177-L179 HydrophobicContact CZ2-CB 4.38Å; W177-L179 HydrophobicContact CZ2-CD2 3.95Å; W177-L179 HydrophobicContact CZ3-CB 4.13Å; W177-L179 HydrophobicContact CZ3-CD1 3.82Å; W177-L179 HydrophobicContact CZ3-CD2 4.4Å; W177-L179 HydrophobicContact CZ3-CG 4.33Å; W177-L179 PolarHBondContact O-N 3.14Å; W177-L184 PolarHBondContact N-O 3.31Å; W177-L184 PolarHBondContact O-N 3.1Å; W177-I186 HydrophobicContact CB-CD1 4.48Å; W177-I186 HydrophobicContact CB-CG1 4.11Å; W177-I186 HydrophobicContact CG-CG1 4.29Å
178L83.9Confident86.3Confident85 Ų8568.1 Ų68.145%0.44536%0.358SS..EExtended strand (participates in β ladder)trans-86.1112-177.3-177.264000110.2
179L84.1Confident86.6Confident72 Ų7266.4 Ų66.438%0.37736%0.357SS..EExtended strand (participates in β ladder)trans-125.1121.9172.9-173.467.5000109.4W177 G181 Q182 L184W177-L179 HydrophobicContact CE3-CB 4.33Å; W177-L179 HydrophobicContact CH2-CB 4.16Å; W177-L179 HydrophobicContact CH2-CD1 3.87Å; W177-L179 HydrophobicContact CH2-CD2 3.7Å; W177-L179 HydrophobicContact CH2-CG 4.12Å; W177-L179 HydrophobicContact CZ2-CB 4.38Å; W177-L179 HydrophobicContact CZ2-CD2 3.95Å; W177-L179 HydrophobicContact CZ3-CB 4.13Å; W177-L179 HydrophobicContact CZ3-CD1 3.82Å; W177-L179 HydrophobicContact CZ3-CD2 4.4Å; W177-L179 HydrophobicContact CZ3-CG 4.33Å; W177-L179 PolarHBondContact O-N 3.14Å; L179-G181 PolarHBondContact O-N 3.46Å; L179-G181 VanDerWaalsContact O-N 3.1Å; L179-Q182 PolarHBondContact N-O 2.74Å; L179-Q182 PolarHBondContact O-N 3.33Å; L179-L184 HydrophobicContact CB-CD1 3.94Å; L179-L184 HydrophobicContact CD2-CD1 3.68Å; L179-L184 HydrophobicContact CG-CD1 4.38Å
180E82.2Confident86.8Confident193 Ų19372.9 Ų72.990%0.90237%0.373SS*.THydrogen-bonded Turntrans51.334.7177.2-60.5-174.5169.200114.8Q182E180-Q182 VanDerWaalsContact C-N 3.35Å
181G75.9Confident86.8Confident35 Ų3579 Ų7936%0.36139%0.393SS..THydrogen-bonded Turntrans81.59.6179.100000114.9N156 Q159 L179N156-G181 PolarHBondContact ND2-O 3.25Å; Q159-G181 PolarHBondContact NE2-O 3.36Å; Q159-G181 VanDerWaalsContact NE2-O 3.13Å; L179-G181 PolarHBondContact O-N 3.46Å; L179-G181 VanDerWaalsContact O-N 3.1Å
182Q82.6Confident86.7Confident120 Ų12079.9 Ų79.956%0.56141%0.409SS*.EExtended strand (participates in β ladder)trans-119.1145.4173.4-62.8-173.1-9.800110.8L179 E180L179-Q182 PolarHBondContact N-O 2.74Å; L179-Q182 PolarHBondContact O-N 3.33Å; E180-Q182 VanDerWaalsContact C-N 3.35Å
183C87.8Confident86.7Confident21 Ų2184 Ų8414%0.14242%0.422CS..EExtended strand (participates in β ladder)trans-88.2110.5173.6-66.50000108.9T158 Q159 C172 Y176T158-C183 PolarHBondContact O-SG 3.07Å; T158-C183 VanDerWaalsContact O-SG 3.41Å; Q159-C183 VanDerWaalsContact CG-SG 3.54Å; C172-C183 WeakPolarHBondContact CA-SG 3.46Å; C172-C183 HydrophobicContact CB-CB 3.77Å; C172-C183 WeakPolarHBondContact CB-SG 3.27Å; C172-C183 WeakPolarHBondContact SG-CA 3.32Å; C172-C183 WeakPolarHBondContact SG-CB 3.4Å; C172-C183 CovalentContact SG-SG 2.04Å; C172-C183 PolarHBondContact SG-SG 3.49Å; Y176-C183 HydrophobicContact CD1-CB 4.33Å
184L87.8Confident87Confident68 Ų6881.9 Ų81.936%0.35641%0.41SS..EExtended strand (participates in β ladder)trans-100.8140.2175.2-64.5179.9000109.1Y176 W177 L179Y176-L184 CarbonylContact C-O 3.58Å; Y176-L184 WeakPolarHBondContact CA-O 3.29Å; Y176-L184 WeakPolarHBondContact CB-O 3.25Å; Y176-L184 VanDerWaalsContact CD1-C 3.49Å; W177-L184 PolarHBondContact N-O 3.31Å; W177-L184 PolarHBondContact O-N 3.1Å; L179-L184 HydrophobicContact CB-CD1 3.94Å; L179-L184 HydrophobicContact CD2-CD1 3.68Å; L179-L184 HydrophobicContact CG-CD1 4.38Å
185D90.9Very high87.3Confident41 Ų4179.2 Ų79.222%0.21939%0.392CS..EExtended strand (participates in β ladder)trans-59.3136175.7-170.652.1000110.1Y176 D187 N200 G203Y176-D185 HydrophobicContact CD1-CB 4.19Å; Y176-D185 HydrophobicContact CE1-CB 3.91Å; D185-D187 PolarHBondContact O-N 3.08Å; D185-N200 PolarHBondContact OD2-ND2 2.85Å; D185-N200 PolarHBondContact OD2-OD1 2.86Å; D185-G203 PolarHBondContact OD1-N 3.11Å
186I90.8Very high87.7Confident51 Ų5180.5 Ų80.526%0.26239%0.394SS..PPolyproline II helixtrans-78.3118.6172.9-64.3169.9000106.3G175 W177 E188 Y191 N200G175-I186 WeakPolarHBondContact O-CB 3.39Å; G175-I186 WeakPolarHBondContact O-CG1 3.33Å; G175-I186 PolarHBondContact O-N 2.77Å; W177-I186 HydrophobicContact CB-CD1 4.48Å; W177-I186 HydrophobicContact CB-CG1 4.11Å; W177-I186 HydrophobicContact CG-CG1 4.29Å; I186-E188 HydrophobicContact CG2-CG 4.19Å; I186-E188 PolarHBondContact O-N 3Å; I186-E188 VanDerWaalsContact O-N 3.08Å; I186-Y191 HydrophobicContact CG2-CE2 4.2Å; I186-N200 PolarHBondContact O-OD1 3.33Å
187D91Very high87.9Confident68 Ų6881 Ų8136%0.36440%0.401SS..  trans-80.189.2173.9-179.5-7.9000109.8D185 C189 R190 Y191D185-D187 PolarHBondContact O-N 3.08Å; D187-C189 PolarHBondContact O-N 2.96Å; D187-C189 VanDerWaalsContact OD1-CB 3.26Å; D187-C189 WeakPolarHBondContact OD1-CB 3.32Å; D187-C189 PolarHBondContact OD1-N 2.8Å; D187-C189 VanDerWaalsContact OD1-N 3.15Å; D187-R190 HydrophobicContact CB-CB 4.29Å; D187-R190 WeakPolarHBondContact O-CB 3.34Å; D187-R190 PolarHBondContact O-N 2.86Å; D187-R190 VanDerWaalsContact O-N 3.14Å; D187-R190 PolarHBondContact OD1-N 2.82Å; D187-Y191 WeakPolarHBondContact O-CD2 3.29Å
188E92.3Very high88.4Confident16 Ų1677.2 Ų77.28%0.07539%0.392CS..G310 helixtrans-65.3-22.3-179.4-59.192.4160.300112.7I186 R190 Y191 G192 Y193 N200 Y205I186-E188 HydrophobicContact CG2-CG 4.19Å; I186-E188 PolarHBondContact O-N 3Å; I186-E188 VanDerWaalsContact O-N 3.08Å; E188-R190 VanDerWaalsContact C-N 3.26Å; E188-R190 PolarHBondContact O-N 2.99Å; E188-Y191 PolarHBondContact O-N 2.95Å; E188-Y191 VanDerWaalsContact O-N 3.1Å; E188-G192 PolarHBondContact O-N 2.84Å; E188-Y193 HydrophobicContact CB-CD1 4.22Å; E188-Y193 HydrophobicContact CB-CD2 4.07Å; E188-Y193 HydrophobicContact CB-CG 3.85Å; E188-Y193 HydrophobicContact CG-CD1 4.4Å; E188-Y193 HydrophobicContact CG-CG 4.48Å; E188-Y193 WeakPolarHBondContact O-CD2 3.4Å; E188-Y193 PolarHBondContact O-N 2.84Å; E188-N200 PolarHBondContact OE2-OD1 2.88Å; E188-Y205 HydrophobicContact CB-CD1 3.63Å; E188-Y205 HydrophobicContact CB-CE1 4.33Å; E188-Y205 HydrophobicContact CB-CG 3.83Å; E188-Y205 VanDerWaalsContact CD-CD1 3.49Å; E188-Y205 HydrophobicContact CG-CD1 3.54Å; E188-Y205 HydrophobicContact CG-CE1 4.15Å; E188-Y205 HydrophobicContact CG-CG 4.23Å
189C92.1Very high88.9Confident38 Ų3875.6 Ų75.626%0.25739%0.391SS..G310 helixtrans-65.6-32.3175.4-580000111.7D187 Y191 G192 C198 A199 N200D187-C189 PolarHBondContact O-N 2.96Å; D187-C189 VanDerWaalsContact OD1-CB 3.26Å; D187-C189 WeakPolarHBondContact OD1-CB 3.32Å; D187-C189 PolarHBondContact OD1-N 2.8Å; D187-C189 VanDerWaalsContact OD1-N 3.15Å; C189-Y191 PolarHBondContact O-N 2.89Å; C189-G192 PolarHBondContact O-N 3.13Å; C189-C198 WeakPolarHBondContact CA-SG 3.43Å; C189-C198 HydrophobicContact CB-CB 3.67Å; C189-C198 WeakPolarHBondContact CB-SG 3.28Å; C189-C198 WeakPolarHBondContact SG-CB 3.38Å; C189-C198 CovalentContact SG-SG 2.03Å; C189-C198 PolarHBondContact SG-SG 3.47Å; C189-A199 VanDerWaalsContact SG-C 3.55Å; C189-N200 PolarHBondContact SG-N 3.36Å
190R89.9Confident89.3Confident207 Ų20775.1 Ų75.178%0.78139%0.389SS*.G310 helixtrans-66.9-22.7174.4-170.2172.1178175.5-0.9113.3D187 E188D187-R190 HydrophobicContact CB-CB 4.29Å; D187-R190 WeakPolarHBondContact O-CB 3.34Å; D187-R190 PolarHBondContact O-N 2.86Å; D187-R190 VanDerWaalsContact O-N 3.14Å; D187-R190 PolarHBondContact OD1-N 2.82Å; E188-R190 VanDerWaalsContact C-N 3.26Å; E188-R190 PolarHBondContact O-N 2.99Å
191Y86.9Confident89.8Confident159 Ų15969.1 Ų69.162%0.62437%0.365SS*.G310 helixtrans-99.53.1-178.6-62.2-78.7000113.7I186 D187 E188 C189 Y193I186-Y191 HydrophobicContact CG2-CE2 4.2Å; D187-Y191 WeakPolarHBondContact O-CD2 3.29Å; E188-Y191 PolarHBondContact O-N 2.95Å; E188-Y191 VanDerWaalsContact O-N 3.1Å; C189-Y191 PolarHBondContact O-N 2.89Å; Y191-Y193 HydrophobicContact CG-CE2 4.4Å
192G85.4Confident90.5Very high59 Ų5972.4 Ų72.461%0.60838%0.38SS*.THydrogen-bonded Turntrans74.235.1174.800000114.2E188 C189 C194E188-G192 PolarHBondContact O-N 2.84Å; C189-G192 PolarHBondContact O-N 3.13Å; G192-C194 VanDerWaalsContact C-N 3.27Å; G192-C194 PolarHBondContact O-N 2.99Å
193Y87.1Confident90.7Very high104 Ų10467.9 Ų67.941%0.40837%0.366SS..  trans-70.7-19.1-178-86.5-120.5000114.3E188 Y191 Y205E188-Y193 HydrophobicContact CB-CD1 4.22Å; E188-Y193 HydrophobicContact CB-CD2 4.07Å; E188-Y193 HydrophobicContact CB-CG 3.85Å; E188-Y193 HydrophobicContact CG-CD1 4.4Å; E188-Y193 HydrophobicContact CG-CG 4.48Å; E188-Y193 WeakPolarHBondContact O-CD2 3.4Å; E188-Y193 PolarHBondContact O-N 2.84Å; Y191-Y193 HydrophobicContact CG-CE2 4.4Å; Y193-Y205 HydrophobicContact CD1-CE1 4.07Å
194C91.8Very high90.9Very high16 Ų1669.9 Ų69.911%0.10838%0.38CS..SBendtrans-109.4145.5174.5-55.90000111G192 C198 C207G192-C194 VanDerWaalsContact C-N 3.27Å; G192-C194 PolarHBondContact O-N 2.99Å; C194-C198 HydrophobicContact CB-CB 3.84Å; C194-C198 VanDerWaalsContact SG-CB 3.54Å; C194-C198 PolarHBondContact SG-SG 2.95Å; C194-C207 VanDerWaalsContact CA-SG 3.51Å; C194-C207 HydrophobicContact CB-CB 3.72Å; C194-C207 WeakPolarHBondContact CB-SG 3.41Å; C194-C207 WeakPolarHBondContact SG-CA 3.47Å; C194-C207 WeakPolarHBondContact SG-CB 3.34Å; C194-C207 CovalentContact SG-SG 2.02Å; C194-C207 PolarHBondContact SG-SG 2.95Å
195Q92.2Very high91.2Very high103 Ų10368.9 Ų68.948%0.48137%0.372SS..SBendtrans-70.3-35.7177.5-175.4-179-8.800113.2R220 S221Q195-R220 PolarHBondContact N-O 2.96Å; Q195-R220 VanDerWaalsContact N-O 3.11Å; Q195-S221 VanDerWaalsContact OE1-CA 3.3Å
196Q92Very high91.3Very high44 Ų4469.7 Ų69.721%0.20638%0.381CS..SBendtrans-124.1-96.2-175.4-62.5-174.2-5.600111.6N210 C222Q196-N210 PolarHBondContact OE1-ND2 2.93Å; Q196-C222 HydrophobicContact CG-CB 4.13Å
197L93.8Very high91.5Very high78 Ų7867.7 Ų67.741%0.40837%0.371SS..EExtended strand (participates in β ladder)trans-92.9133.9-176.9-56.9168.3000109.9C207 T208 N210L197-C207 WeakPolarHBondContact O-CA 3.23Å; L197-T208 VanDerWaalsContact CB-O 3.29Å; L197-T208 WeakPolarHBondContact CB-O 3.28Å; L197-T208 WeakPolarHBondContact CB-OG1 3.29Å; L197-T208 PolarHBondContact N-O 3.48Å; L197-T208 PolarHBondContact O-N 3.26Å; L197-N210 WeakPolarHBondContact CD1-OD1 3.41Å; L197-N210 WeakPolarHBondContact CG-OD1 3.04Å
198C95.1Very high91.7Very high43 Ų4367.9 Ų67.929%0.29138%0.375SS..EExtended strand (participates in β ladder)trans-127.3133.6178.5-173.40000110.3C189 C194C189-C198 WeakPolarHBondContact CA-SG 3.43Å; C189-C198 HydrophobicContact CB-CB 3.67Å; C189-C198 WeakPolarHBondContact CB-SG 3.28Å; C189-C198 WeakPolarHBondContact SG-CB 3.38Å; C189-C198 CovalentContact SG-SG 2.03Å; C189-C198 PolarHBondContact SG-SG 3.47Å; C194-C198 HydrophobicContact CB-CB 3.84Å; C194-C198 VanDerWaalsContact SG-CB 3.54Å; C194-C198 PolarHBondContact SG-SG 2.95Å
199A94.7Very high91.8Very high51 Ų5168.3 Ų68.342%0.42138%0.38SS..EExtended strand (participates in β ladder)trans-119.3120.1169.100000109.2C189 Y205 S206C189-A199 VanDerWaalsContact SG-C 3.55Å; A199-Y205 WeakPolarHBondContact O-CA 3.39Å; A199-S206 PolarHBondContact N-O 2.94Å; A199-S206 PolarHBondContact O-N 2.82Å
200N93.3Very high91.9Very high62 Ų6269.7 Ų69.733%0.33238%0.384SS..EExtended strand (participates in β ladder)trans-75130.7174.4-171.646.2000109.6D185 I186 E188 C189 S204D185-N200 PolarHBondContact OD2-ND2 2.85Å; D185-N200 PolarHBondContact OD2-OD1 2.86Å; I186-N200 PolarHBondContact O-OD1 3.33Å; E188-N200 PolarHBondContact OE2-OD1 2.88Å; C189-N200 PolarHBondContact SG-N 3.36Å; N200-S204 PolarHBondContact OD1-O 3.23Å
201V93.1Very high92Very high68 Ų6865.6 Ų65.641%0.41238%0.384SS..EExtended strand (participates in β ladder)trans-127.7137.7-177.11790000107.5G203 S204V201-G203 PolarHBondContact O-N 3.45Å; V201-S204 CarbonylContact C-O 3.58Å; V201-S204 PolarHBondContact N-O 3.47Å; V201-S204 CarbonylContact O-C 3.59Å; V201-S204 PolarHBondContact O-N 3.25Å
202P90.3Very high92.2Very high103 Ų10359.1 Ų59.167%0.66937%0.366SS*.THydrogen-bonded Turntrans-51115-179.2-28.235.5000113.1Y176Y176-P202 VanDerWaalsContact OH-C 3.26Å; Y176-P202 WeakPolarHBondContact OH-CB 3.31Å
203G87.6Confident92.6Very high26 Ų2657.5 Ų57.527%0.26834%0.342SS..THydrogen-bonded Turntrans85.82.3-178.400000116.1Y176 D185 V201Y176-G203 PolarHBondContact OH-N 3.43Å; D185-G203 PolarHBondContact OD1-N 3.11Å; V201-G203 PolarHBondContact O-N 3.45Å
204S91.3Very high93Very high62 Ų6256 Ų5643%0.43434%0.344SS..EExtended strand (participates in β ladder)trans-167.6-165.6-179.6-157.60000112.9N200 V201N200-S204 PolarHBondContact OD1-O 3.23Å; V201-S204 CarbonylContact C-O 3.58Å; V201-S204 PolarHBondContact N-O 3.47Å; V201-S204 CarbonylContact O-C 3.59Å; V201-S204 PolarHBondContact O-N 3.25Å
205Y92.9Very high93.1Very high48 Ų4858.9 Ų58.919%0.18836%0.358CS..EExtended strand (participates in β ladder)trans-147.3157.7174.663.8-78.1000110.2E188 Y193 A199 C207 R220E188-Y205 HydrophobicContact CB-CD1 3.63Å; E188-Y205 HydrophobicContact CB-CE1 4.33Å; E188-Y205 HydrophobicContact CB-CG 3.83Å; E188-Y205 VanDerWaalsContact CD-CD1 3.49Å; E188-Y205 HydrophobicContact CG-CD1 3.54Å; E188-Y205 HydrophobicContact CG-CE1 4.15Å; E188-Y205 HydrophobicContact CG-CG 4.23Å; Y193-Y205 HydrophobicContact CD1-CE1 4.07Å; A199-Y205 WeakPolarHBondContact O-CA 3.39Å; Y205-C207 VanDerWaalsContact CE2-SG 3.5Å; Y205-R220 HydrophobicContact CE2-CG 4.46Å; Y205-R220 PolarHBondContact OH-NE 3.42Å; Y205-R220 PolarHBondContact OH-NH2 2.85Å
206S93.1Very high93.2Very high58 Ų5856.4 Ų56.441%0.40635%0.348SS..EExtended strand (participates in β ladder)trans-121124175-177.90000109.6A199A199-S206 PolarHBondContact N-O 2.94Å; A199-S206 PolarHBondContact O-N 2.82Å
207C95.3Very high93.3Very high9 Ų964.3 Ų64.36%0.06139%0.385CS..EExtended strand (participates in β ladder)trans-93.5138170.6-56.10000110.6C194 L197 Y205 L215 G219C194-C207 VanDerWaalsContact CA-SG 3.51Å; C194-C207 HydrophobicContact CB-CB 3.72Å; C194-C207 WeakPolarHBondContact CB-SG 3.41Å; C194-C207 WeakPolarHBondContact SG-CA 3.47Å; C194-C207 WeakPolarHBondContact SG-CB 3.34Å; C194-C207 CovalentContact SG-SG 2.02Å; C194-C207 PolarHBondContact SG-SG 2.95Å; L197-C207 WeakPolarHBondContact O-CA 3.23Å; Y205-C207 VanDerWaalsContact CE2-SG 3.5Å; C207-L215 HydrophobicContact CB-CD1 4.14Å; C207-G219 WeakPolarHBondContact CB-O 3.21Å
208T94.8Very high93.1Very high72 Ų7264.9 Ų64.944%0.44239%0.388SS..EExtended strand (participates in β ladder)trans-132.3159169.355.10000109.8L197L197-T208 VanDerWaalsContact CB-O 3.29Å; L197-T208 WeakPolarHBondContact CB-O 3.28Å; L197-T208 WeakPolarHBondContact CB-OG1 3.29Å; L197-T208 PolarHBondContact N-O 3.48Å; L197-T208 PolarHBondContact O-N 3.26Å
209C95.6Very high92.9Very high25 Ų2564.3 Ų64.317%0.16939%0.39CS..PPolyproline II helixtrans-102.5152.9178.6-56.30000111F213 C222C209-F213 HydrophobicContact CB-CB 3.58Å; C209-C222 WeakPolarHBondContact CA-SG 3.39Å; C209-C222 HydrophobicContact CB-CB 3.81Å; C209-C222 WeakPolarHBondContact CB-SG 3.45Å; C209-C222 VanDerWaalsContact SG-CA 3.51Å; C209-C222 WeakPolarHBondContact SG-CB 3.33Å; C209-C222 CovalentContact SG-SG 2.03Å; C209-C222 PolarHBondContact SG-SG 2.98Å
210N94.5Very high92.7Very high67 Ų6766.8 Ų66.836%0.35839%0.388SS..PPolyproline II helixtrans-61.2159.8169.5-69.9-36.3000110.1Q196 L197 F213Q196-N210 PolarHBondContact OE1-ND2 2.93Å; L197-N210 WeakPolarHBondContact CD1-OD1 3.41Å; L197-N210 WeakPolarHBondContact CG-OD1 3.04Å; N210-F213 HydrophobicContact CB-CD2 4.04Å; N210-F213 HydrophobicContact CB-CE2 4.47Å; N210-F213 WeakPolarHBondContact O-CB 3.43Å; N210-F213 PolarHBondContact O-N 2.74Å
211P91.9Very high92.7Very high120 Ų12065.1 Ų65.178%0.77938%0.381SS*.THydrogen-bonded Turntrans-51.4142.2169.7-24.634.5000111.5F213P211-F213 VanDerWaalsContact C-N 3.35Å; P211-F213 WeakPolarHBondContact O-CD2 3.46Å
212G90.3Very high92.8Very high23 Ų2362.3 Ų62.324%0.23737%0.365CS..THydrogen-bonded Turntrans853.1-17400000114.5V225G212-V225 WeakPolarHBondContact O-CB 3.27Å; G212-V225 PolarHBondContact O-N 3.34Å
213F94.5Very high93Very high26 Ų2663 Ų6311%0.11436%0.359CS..EExtended strand (participates in β ladder)trans-130153.1178.7-63.1-89.8000111.8C209 N210 P211 C222 Q223 D224 Y242C209-F213 HydrophobicContact CB-CB 3.58Å; N210-F213 HydrophobicContact CB-CD2 4.04Å; N210-F213 HydrophobicContact CB-CE2 4.47Å; N210-F213 WeakPolarHBondContact O-CB 3.43Å; N210-F213 PolarHBondContact O-N 2.74Å; P211-F213 VanDerWaalsContact C-N 3.35Å; P211-F213 WeakPolarHBondContact O-CD2 3.46Å; F213-C222 HydrophobicContact CB-CB 4.15Å; F213-C222 HydrophobicContact CD1-CB 4.37Å; F213-C222 HydrophobicContact CG-CB 4.49Å; F213-Q223 CarbonylContact C-O 3.49Å; F213-Q223 VanDerWaalsContact CA-O 3.29Å; F213-Q223 WeakPolarHBondContact CA-O 3.36Å; F213-D224 HydrophobicContact CD1-CB 4.19Å; F213-D224 HydrophobicContact CE1-CB 3.95Å; F213-Y242 HydrophobicContact CE1-CD1 4.26Å; F213-Y242 HydrophobicContact CE1-CD2 4.02Å; F213-Y242 AromaticContact CE1-CE1 3.8Å; F213-Y242 HydrophobicContact CE1-CE1 3.8Å; F213-Y242 AromaticContact CE1-CE2 3.54Å; F213-Y242 HydrophobicContact CE1-CE2 3.54Å; F213-Y242 HydrophobicContact CE1-CG 4.36Å; F213-Y242 AromaticContact CE1-CZ 3.41Å; F213-Y242 VanDerWaalsContact CE1-CZ 3.41Å; F213-Y242 HydrophobicContact CE2-CE1 4.49Å; F213-Y242 AromaticContact CZ-CD1 3.7Å; F213-Y242 HydrophobicContact CZ-CD1 3.7Å; F213-Y242 HydrophobicContact CZ-CD2 4.24Å; F213-Y242 AromaticContact CZ-CE1 3.41Å; F213-Y242 HydrophobicContact CZ-CE1 3.41Å; F213-Y242 VanDerWaalsContact CZ-CE1 3.41Å; F213-Y242 AromaticContact CZ-CE2 4Å; F213-Y242 HydrophobicContact CZ-CE2 4Å; F213-Y242 HydrophobicContact CZ-CG 4.11Å; F213-Y242 AromaticContact CZ-CZ 3.57Å
214T94.1Very high93.3Very high72 Ų7263.5 Ų63.544%0.44236%0.356SS..EExtended strand (participates in β ladder)trans-120144.7174.448.10000110.4C222 Q223 V225T214-C222 CarbonylContact O-C 3.59Å; T214-C222 WeakPolarHBondContact O-CA 3.05Å; T214-Q223 PolarHBondContact N-O 2.79Å; T214-Q223 PolarHBondContact O-N 2.9Å; T214-Q223 PolarHBondContact OG1-O 2.04Å; T214-V225 HydrophobicContact CG2-CG2 3.51Å
215L95.3Very high93.4Very high77 Ų7762.7 Ų62.740%0.40335%0.348SS..EExtended strand (participates in β ladder)trans-75.9129179.3-168.371.6000109.5C207C207-L215 HydrophobicContact CB-CD1 4.14Å
216N93.9Very high93.5Very high51 Ų5163.7 Ų63.727%0.27336%0.356SS..  trans-71.3167.1177-76.4-37.1000112D218 G219 S221 Q223N216-D218 WeakPolarHBondContact CB-OD1 3.31Å; N216-D218 PolarHBondContact O-N 2.78Å; N216-D218 VanDerWaalsContact O-N 3.1Å; N216-G219 PolarHBondContact O-N 2.97Å; N216-S221 WeakPolarHBondContact CB-O 3.35Å; N216-S221 WeakPolarHBondContact CB-OG 3.43Å; N216-S221 PolarHBondContact N-O 3.46Å; N216-S221 PolarHBondContact ND2-OG 3.02Å; N216-Q223 VanDerWaalsContact OD1-CB 3.28Å; N216-Q223 WeakPolarHBondContact OD1-CB 3.47Å
217E93.1Very high93.4Very high210 Ų21062.5 Ų62.598%0.98135%0.345SS*.THydrogen-bonded Turntrans-60.4-19.8178.8-63.6-172.2164.200113.8G219E217-G219 PolarHBondContact O-N 3.28Å
218D91Very high93.3Very high89 Ų8963.7 Ų63.748%0.47635%0.353SS..THydrogen-bonded Turntrans-72.5-9.2174.770.7-8.7000113.4N216 R220 S221N216-D218 WeakPolarHBondContact CB-OD1 3.31Å; N216-D218 PolarHBondContact O-N 2.78Å; N216-D218 VanDerWaalsContact O-N 3.1Å; D218-R220 PolarHBondContact O-N 2.84Å; D218-R220 PolarHBondContact OD1-N 2.84Å; D218-S221 PolarHBondContact OD1-N 2.89Å; D218-S221 PolarHBondContact OD1-OG 3.27Å; D218-S221 VanDerWaalsContact OD2-CB 3.28Å; D218-S221 WeakPolarHBondContact OD2-CB 3.25Å; D218-S221 PolarHBondContact OD2-N 3.1Å; D218-S221 PolarHBondContact OD2-OG 3.35Å
219G90.1Very high93.1Very high31 Ų3163.9 Ų63.932%0.3236%0.361SS..SBendtrans66.413.8-178.700000114.2C207 N216 E217C207-G219 WeakPolarHBondContact CB-O 3.21Å; N216-G219 PolarHBondContact O-N 2.97Å; E217-G219 PolarHBondContact O-N 3.28Å
220R91Very high92.3Very high103 Ų10368.1 Ų68.139%0.38939%0.386SS..SBendtrans-134.7-37.1-172.2-65.3179.3-174.6-137.1-1.7113.9Q195 Y205 D218Q195-R220 PolarHBondContact N-O 2.96Å; Q195-R220 VanDerWaalsContact N-O 3.11Å; Y205-R220 HydrophobicContact CE2-CG 4.46Å; Y205-R220 PolarHBondContact OH-NE 3.42Å; Y205-R220 PolarHBondContact OH-NH2 2.85Å; D218-R220 PolarHBondContact O-N 2.84Å; D218-R220 PolarHBondContact OD1-N 2.84Å
221S93.2Very high91.8Very high27 Ų2773.1 Ų73.119%0.18941%0.408CS..  trans-96.5152.9-178.460.80000111.7Q195 N216 D218Q195-S221 VanDerWaalsContact OE1-CA 3.3Å; N216-S221 WeakPolarHBondContact CB-O 3.35Å; N216-S221 WeakPolarHBondContact CB-OG 3.43Å; N216-S221 PolarHBondContact N-O 3.46Å; N216-S221 PolarHBondContact ND2-OG 3.02Å; D218-S221 PolarHBondContact OD1-N 2.89Å; D218-S221 PolarHBondContact OD1-OG 3.27Å; D218-S221 VanDerWaalsContact OD2-CB 3.28Å; D218-S221 WeakPolarHBondContact OD2-CB 3.25Å; D218-S221 PolarHBondContact OD2-N 3.1Å; D218-S221 PolarHBondContact OD2-OG 3.35Å
222C94.8Very high91.5Very high9 Ų971.3 Ų71.36%0.06139%0.391CS..EExtended strand (participates in β ladder)trans-114.4123.8-176.7-66.70000109.4Q196 C209 F213 T214Q196-C222 HydrophobicContact CG-CB 4.13Å; C209-C222 WeakPolarHBondContact CA-SG 3.39Å; C209-C222 HydrophobicContact CB-CB 3.81Å; C209-C222 WeakPolarHBondContact CB-SG 3.45Å; C209-C222 VanDerWaalsContact SG-CA 3.51Å; C209-C222 WeakPolarHBondContact SG-CB 3.33Å; C209-C222 CovalentContact SG-SG 2.03Å; C209-C222 PolarHBondContact SG-SG 2.98Å; F213-C222 HydrophobicContact CB-CB 4.15Å; F213-C222 HydrophobicContact CD1-CB 4.37Å; F213-C222 HydrophobicContact CG-CB 4.49Å; T214-C222 CarbonylContact O-C 3.59Å; T214-C222 WeakPolarHBondContact O-CA 3.05Å
223Q94.3Very high91.5Very high118 Ų11872.3 Ų72.355%0.55139%0.394SS*.EExtended strand (participates in β ladder)trans-97.1132.1172.6-179.9172.328.400110.1F213 T214 N216 V225F213-Q223 CarbonylContact C-O 3.49Å; F213-Q223 VanDerWaalsContact CA-O 3.29Å; F213-Q223 WeakPolarHBondContact CA-O 3.36Å; T214-Q223 PolarHBondContact N-O 2.79Å; T214-Q223 PolarHBondContact O-N 2.9Å; T214-Q223 PolarHBondContact OG1-O 2.04Å; N216-Q223 VanDerWaalsContact OD1-CB 3.28Å; N216-Q223 WeakPolarHBondContact OD1-CB 3.47Å; Q223-V225 PolarHBondContact O-N 3.01Å
224D94.9Very high91.3Very high37 Ų3771.5 Ų71.520%0.19839%0.391CS..EExtended strand (participates in β ladder)trans-58130.5172.8-174.165.1000111F213 N240 Y242 G243F213-D224 HydrophobicContact CD1-CB 4.19Å; F213-D224 HydrophobicContact CE1-CB 3.95Å; D224-N240 PolarHBondContact OD2-ND2 3.33Å; D224-Y242 HydrophobicContact CB-CD2 4.44Å; D224-G243 WeakPolarHBondContact OD1-CA 3.27Å; D224-G243 PolarHBondContact OD1-N 3.38Å
225V93.6Very high91.3Very high44 Ų4472.1 Ų72.127%0.26740%0.395SS..PPolyproline II helixtrans-81120.4174.3176.90000107.5G212 T214 Q223 E227 N240G212-V225 WeakPolarHBondContact O-CB 3.27Å; G212-V225 PolarHBondContact O-N 3.34Å; T214-V225 HydrophobicContact CG2-CG2 3.51Å; Q223-V225 PolarHBondContact O-N 3.01Å; V225-E227 HydrophobicContact CG1-CG 4.33Å; V225-E227 VanDerWaalsContact O-CD 3.23Å; V225-E227 PolarHBondContact O-N 3.46Å; V225-E227 VanDerWaalsContact O-OE2 3.07Å; V225-N240 PolarHBondContact O-OD1 2.91Å
226N93.4Very high91.1Very high69 Ų6970.2 Ų70.237%0.36938%0.384SS..  trans-85.493.1173.3-174.2-16000110C228 A229 T230 N240N226-C228 PolarHBondContact O-N 2.81Å; N226-C228 WeakPolarHBondContact OD1-CB 3.33Å; N226-C228 PolarHBondContact OD1-N 2.76Å; N226-C228 VanDerWaalsContact OD1-N 3.16Å; N226-A229 HydrophobicContact CB-CB 4.11Å; N226-A229 PolarHBondContact O-N 3.49Å; N226-A229 PolarHBondContact OD1-N 3.35Å; N226-T230 PolarHBondContact O-OG1 3.48Å; N226-N240 WeakPolarHBondContact CA-OD1 3.45Å
227E92.3Very high91.2Very high34 Ų3470.8 Ų70.816%0.15939%0.389CS..Hα-helixtrans-63.7-30.3-179.1-57.988.6172.400111.6V225 A229 E231 P233 N240 F245V225-E227 HydrophobicContact CG1-CG 4.33Å; V225-E227 VanDerWaalsContact O-CD 3.23Å; V225-E227 PolarHBondContact O-N 3.46Å; V225-E227 VanDerWaalsContact O-OE2 3.07Å; E227-A229 VanDerWaalsContact C-N 3.27Å; E227-A229 PolarHBondContact O-N 3.4Å; E227-E231 CarbonylContact O-C 3.21Å; E227-E231 VanDerWaalsContact O-O 3.12Å; E227-P233 HydrophobicContact CB-CG 4.4Å; E227-N240 PolarHBondContact OE2-OD1 3.04Å; E227-N240 VanDerWaalsContact OE2-OD1 3.12Å; E227-F245 HydrophobicContact CB-CB 4.43Å; E227-F245 HydrophobicContact CB-CD1 3.76Å; E227-F245 HydrophobicContact CB-CE1 4.43Å; E227-F245 HydrophobicContact CB-CG 4.29Å; E227-F245 HydrophobicContact CG-CD1 3.81Å; E227-F245 HydrophobicContact CG-CE1 4.39Å
228C93.1Very high91.3Very high34 Ų3462 Ų6223%0.2335%0.351CS..Hα-helixtrans-68.9-21.6178.3-52.60000113.9N226 C238 V239 N240N226-C228 PolarHBondContact O-N 2.81Å; N226-C228 WeakPolarHBondContact OD1-CB 3.33Å; N226-C228 PolarHBondContact OD1-N 2.76Å; N226-C228 VanDerWaalsContact OD1-N 3.16Å; C228-C238 VanDerWaalsContact CA-SG 3.51Å; C228-C238 HydrophobicContact CB-CB 3.72Å; C228-C238 WeakPolarHBondContact CB-SG 3.33Å; C228-C238 WeakPolarHBondContact SG-CB 3.34Å; C228-C238 CovalentContact SG-SG 2.04Å; C228-C238 PolarHBondContact SG-SG 2.72Å; C228-V239 VanDerWaalsContact SG-C 3.54Å; C228-N240 PolarHBondContact SG-N 3.22Å
229A89.8Confident91.4Very high75 Ų7560.6 Ų60.662%0.6235%0.345SS*.Hα-helixtrans-93-16.6-175.600000114N226 E227N226-A229 HydrophobicContact CB-CB 4.11Å; N226-A229 PolarHBondContact O-N 3.49Å; N226-A229 PolarHBondContact OD1-N 3.35Å; E227-A229 VanDerWaalsContact C-N 3.27Å; E227-A229 PolarHBondContact O-N 3.4Å
230T79.8Confident91.7Very high114 Ų11461.5 Ų61.570%0.69934%0.343SS*.Hα-helixtrans-103.8-67.3-174.729.50000111.4N226N226-T230 PolarHBondContact O-OG1 3.48Å
231E83.1Confident91.8Very high172 Ų17259.1 Ų59.180%0.80434%0.34SS*.SBendtrans-134103.4172-73.7-167.7153.600107.7E227 P233E227-E231 CarbonylContact O-C 3.21Å; E227-E231 VanDerWaalsContact O-O 3.12Å; E231-P233 WeakPolarHBondContact O-CD 3.35Å
232N86.6Confident91.8Very high82 Ų8265.5 Ų65.544%0.43936%0.361SS..  trans-57.5111.3-175.5-177.95000109.9C234 C238N232-C234 PolarHBondContact O-N 2.04Å; N232-C234 WeakPolarHBondContact OD1-CB 3.3Å; N232-C234 PolarHBondContact OD1-N 2.96Å; N232-C238 WeakPolarHBondContact OD1-CB 3.47Å
233P88.8Confident91.6Very high44 Ų4466.1 Ų66.129%0.28637%0.369SS..  trans-73.2-20.7-177.829.7-34.5000111.8E227 E231 F245 V260E227-P233 HydrophobicContact CB-CG 4.4Å; E231-P233 WeakPolarHBondContact O-CD 3.35Å; P233-F245 HydrophobicContact CB-CD2 4.34Å; P233-F245 HydrophobicContact CB-CE1 4.15Å; P233-F245 HydrophobicContact CB-CE2 3.65Å; P233-F245 HydrophobicContact CB-CZ 3.54Å; P233-F245 HydrophobicContact CG-CD1 3.96Å; P233-F245 HydrophobicContact CG-CD2 3.41Å; P233-F245 VanDerWaalsContact CG-CD2 3.41Å; P233-F245 HydrophobicContact CG-CE1 3.8Å; P233-F245 HydrophobicContact CG-CE2 3.23Å; P233-F245 HydrophobicContact CG-CG 3.78Å; P233-F245 HydrophobicContact CG-CZ 3.44Å; P233-F245 VanDerWaalsContact CG-CZ 3.44Å; P233-V260 WeakPolarHBondContact O-CG1 3.33Å
234C92.1Very high91.6Very high10 Ų1063.2 Ų63.27%0.06836%0.361CS..SBendtrans-88.2145.8-174.3-540000112.5N232 Q236 C238 C247N232-C234 PolarHBondContact O-N 2.04Å; N232-C234 WeakPolarHBondContact OD1-CB 3.3Å; N232-C234 PolarHBondContact OD1-N 2.96Å; C234-Q236 VanDerWaalsContact C-N 3.34Å; C234-C238 HydrophobicContact CB-CB 3.98Å; C234-C238 VanDerWaalsContact SG-CB 3.51Å; C234-C247 WeakPolarHBondContact CA-SG 3.32Å; C234-C247 HydrophobicContact CB-CB 3.68Å; C234-C247 WeakPolarHBondContact CB-SG 3.48Å; C234-C247 WeakPolarHBondContact SG-CA 3.39Å; C234-C247 WeakPolarHBondContact SG-CB 3.4Å; C234-C247 CovalentContact SG-SG 2.02Å; C234-C247 PolarHBondContact SG-SG 2.02Å
235V92.7Very high91.5Very high85 Ų8564 Ų6452%0.51536%0.363SS..SBendtrans-66.1-38172.6176.70000111.7V260 H261V235-V260 PolarHBondContact N-O 3.38Å; V235-H261 HydrophobicContact CG2-CB 4.4Å; V235-H261 VanDerWaalsContact CG2-CD2 3.49Å; V235-H261 WeakPolarHBondContact CG2-CD2 3.44Å
236Q92.4Very high91.5Very high37 Ų3765.5 Ų65.517%0.17337%0.372CS..SBendtrans-116-115.8-178.2-61.9-1792.700110.5C234 C262C234-Q236 VanDerWaalsContact C-N 3.34Å; Q236-C262 HydrophobicContact CG-CB 4.22Å
237T94.3Very high91.7Very high63 Ų6362.5 Ų62.539%0.38736%0.357SS..EExtended strand (participates in β ladder)trans-85.7126.1-174.3-64.20000111.3V239 C247 R248T237-V239 HydrophobicContact CG2-CG2 4.31Å; T237-C247 CarbonylContact O-C 3.57Å; T237-C247 WeakPolarHBondContact O-CA 3.39Å; T237-R248 WeakPolarHBondContact CB-O 3.02Å; T237-R248 HydrophobicContact CG2-CB 4.5Å; T237-R248 PolarHBondContact N-O 3.1Å; T237-R248 VanDerWaalsContact N-O 3.09Å; T237-R248 PolarHBondContact O-N 2.92Å
238C95.4Very high91.8Very high25 Ų2568.7 Ų68.717%0.16938%0.378CS..EExtended strand (participates in β ladder)trans-102.2133.9171.7-174.70000111.3C228 N232 C234C228-C238 VanDerWaalsContact CA-SG 3.51Å; C228-C238 HydrophobicContact CB-CB 3.72Å; C228-C238 WeakPolarHBondContact CB-SG 3.33Å; C228-C238 WeakPolarHBondContact SG-CB 3.34Å; C228-C238 CovalentContact SG-SG 2.04Å; C228-C238 PolarHBondContact SG-SG 2.72Å; N232-C238 WeakPolarHBondContact OD1-CB 3.47Å; C234-C238 HydrophobicContact CB-CB 3.98Å; C234-C238 VanDerWaalsContact SG-CB 3.51Å
239V94.9Very high91.9Very high59 Ų5968.6 Ų68.636%0.35838%0.378SS..EExtended strand (participates in β ladder)trans-121.3114.7174.8-1770000108.8C228 T237 F245 V246 R248C228-V239 VanDerWaalsContact SG-C 3.54Å; T237-V239 HydrophobicContact CG2-CG2 4.31Å; V239-F245 WeakPolarHBondContact O-CA 3.48Å; V239-V246 PolarHBondContact N-O 3.08Å; V239-V246 PolarHBondContact O-N 2.98Å; V239-R248 HydrophobicContact CG2-CG 4.11Å
240N94.6Very high92.2Very high50 Ų5068.7 Ų68.727%0.26737%0.368SS..EExtended strand (participates in β ladder)trans-68.3134.5175.3-167.858.4000110.2D224 V225 N226 E227 C228D224-N240 PolarHBondContact OD2-ND2 3.33Å; V225-N240 PolarHBondContact O-OD1 2.91Å; N226-N240 WeakPolarHBondContact CA-OD1 3.45Å; E227-N240 PolarHBondContact OE2-OD1 3.04Å; E227-N240 VanDerWaalsContact OE2-OD1 3.12Å; C228-N240 PolarHBondContact SG-N 3.22Å
241T94.1Very high92.8Very high53 Ų5369 Ų6933%0.32537%0.371SS..EExtended strand (participates in β ladder)trans-124.3168.117562.80000109.3G243 S244 V246T241-G243 PolarHBondContact O-N 3.26Å; T241-G243 VanDerWaalsContact O-N 3.12Å; T241-S244 CarbonylContact C-O 3.33Å; T241-S244 VanDerWaalsContact CA-O 3.22Å; T241-S244 WeakPolarHBondContact CA-O 3.18Å; T241-S244 WeakPolarHBondContact CB-O 3.4Å; T241-S244 PolarHBondContact N-O 3.16Å; T241-S244 PolarHBondContact O-N 3Å; T241-S244 VanDerWaalsContact OG1-C 3.23Å; T241-S244 PolarHBondContact OG1-O 3.07Å; T241-V246 HydrophobicContact CG2-CG2 4.06Å
242Y93.5Very high93.1Very high162 Ų16261.8 Ų61.864%0.63534%0.344SS*.THydrogen-bonded Turntrans-73.1111.9-179-173.3-97.5000110.5F213 D224F213-Y242 HydrophobicContact CE1-CD1 4.26Å; F213-Y242 HydrophobicContact CE1-CD2 4.02Å; F213-Y242 AromaticContact CE1-CE1 3.8Å; F213-Y242 HydrophobicContact CE1-CE1 3.8Å; F213-Y242 AromaticContact CE1-CE2 3.54Å; F213-Y242 HydrophobicContact CE1-CE2 3.54Å; F213-Y242 HydrophobicContact CE1-CG 4.36Å; F213-Y242 AromaticContact CE1-CZ 3.41Å; F213-Y242 VanDerWaalsContact CE1-CZ 3.41Å; F213-Y242 HydrophobicContact CE2-CE1 4.49Å; F213-Y242 AromaticContact CZ-CD1 3.7Å; F213-Y242 HydrophobicContact CZ-CD1 3.7Å; F213-Y242 HydrophobicContact CZ-CD2 4.24Å; F213-Y242 AromaticContact CZ-CE1 3.41Å; F213-Y242 HydrophobicContact CZ-CE1 3.41Å; F213-Y242 VanDerWaalsContact CZ-CE1 3.41Å; F213-Y242 AromaticContact CZ-CE2 4Å; F213-Y242 HydrophobicContact CZ-CE2 4Å; F213-Y242 HydrophobicContact CZ-CG 4.11Å; F213-Y242 AromaticContact CZ-CZ 3.57Å; D224-Y242 HydrophobicContact CB-CD2 4.44Å
243G91.1Very high93.5Very high22 Ų2260.7 Ų60.723%0.22733%0.334CS..THydrogen-bonded Turntrans85.37.9179.800000115.7D224 T241D224-G243 WeakPolarHBondContact OD1-CA 3.27Å; D224-G243 PolarHBondContact OD1-N 3.38Å; T241-G243 PolarHBondContact O-N 3.26Å; T241-G243 VanDerWaalsContact O-N 3.12Å
244S92.6Very high93.7Very high56 Ų5663.6 Ų63.639%0.39234%0.344SS..EExtended strand (participates in β ladder)trans-172.4179.5-179.6-173.30000110.2T241T241-S244 CarbonylContact C-O 3.33Å; T241-S244 VanDerWaalsContact CA-O 3.22Å; T241-S244 WeakPolarHBondContact CA-O 3.18Å; T241-S244 WeakPolarHBondContact CB-O 3.4Å; T241-S244 PolarHBondContact N-O 3.16Å; T241-S244 PolarHBondContact O-N 3Å; T241-S244 VanDerWaalsContact OG1-C 3.23Å; T241-S244 PolarHBondContact OG1-O 3.07Å
245F93.8Very high93.9Very high55 Ų5566.8 Ų66.824%0.24136%0.36CS..EExtended strand (participates in β ladder)trans-118.4168.1165.764.5-81.9000111.4E227 P233 V239E227-F245 HydrophobicContact CB-CB 4.43Å; E227-F245 HydrophobicContact CB-CD1 3.76Å; E227-F245 HydrophobicContact CB-CE1 4.43Å; E227-F245 HydrophobicContact CB-CG 4.29Å; E227-F245 HydrophobicContact CG-CD1 3.81Å; E227-F245 HydrophobicContact CG-CE1 4.39Å; P233-F245 HydrophobicContact CB-CD2 4.34Å; P233-F245 HydrophobicContact CB-CE1 4.15Å; P233-F245 HydrophobicContact CB-CE2 3.65Å; P233-F245 HydrophobicContact CB-CZ 3.54Å; P233-F245 HydrophobicContact CG-CD1 3.96Å; P233-F245 HydrophobicContact CG-CD2 3.41Å; P233-F245 VanDerWaalsContact CG-CD2 3.41Å; P233-F245 HydrophobicContact CG-CE1 3.8Å; P233-F245 HydrophobicContact CG-CE2 3.23Å; P233-F245 HydrophobicContact CG-CG 3.78Å; P233-F245 HydrophobicContact CG-CZ 3.44Å; P233-F245 VanDerWaalsContact CG-CZ 3.44Å; V239-F245 WeakPolarHBondContact O-CA 3.48Å
246V94.4Very high94Very high75 Ų7566.9 Ų66.946%0.45535%0.354SS..EExtended strand (participates in β ladder)trans-132.7133.1168176.50000109.3V239 T241V239-V246 PolarHBondContact N-O 3.08Å; V239-V246 PolarHBondContact O-N 2.98Å; T241-V246 HydrophobicContact CG2-CG2 4.06Å
247C95.8Very high94.1Very high6 Ų675.2 Ų75.24%0.04139%0.393CS..EExtended strand (participates in β ladder)trans-85.6142.5172.5-56.60000111.3C234 T237 L255 G259C234-C247 WeakPolarHBondContact CA-SG 3.32Å; C234-C247 HydrophobicContact CB-CB 3.68Å; C234-C247 WeakPolarHBondContact CB-SG 3.48Å; C234-C247 WeakPolarHBondContact SG-CA 3.39Å; C234-C247 WeakPolarHBondContact SG-CB 3.4Å; C234-C247 CovalentContact SG-SG 2.02Å; C234-C247 PolarHBondContact SG-SG 2.02Å; T237-C247 CarbonylContact O-C 3.57Å; T237-C247 WeakPolarHBondContact O-CA 3.39Å; C247-L255 HydrophobicContact CB-CD1 4.03Å; C247-G259 VanDerWaalsContact CB-O 3.31Å; C247-G259 WeakPolarHBondContact CB-O 3.18Å; C247-G259 PolarHBondContact SG-O 3.26Å
248R94.9Very high94Very high163 Ų16376.1 Ų76.162%0.61540%0.396SS*.EExtended strand (participates in β ladder)trans-127.4136.6175.1-58.1-170.579.3-1794.8109.2T237 V239T237-R248 WeakPolarHBondContact CB-O 3.02Å; T237-R248 HydrophobicContact CG2-CB 4.5Å; T237-R248 PolarHBondContact N-O 3.1Å; T237-R248 VanDerWaalsContact N-O 3.09Å; T237-R248 PolarHBondContact O-N 2.92Å; V239-R248 HydrophobicContact CG2-CG 4.11Å
249C95.9Very high93.8Very high32 Ų3276.3 Ų76.322%0.21640%0.402CS..PPolyproline II helixtrans-88.5147.6174.3-52.80000111E254 L255 C262C249-E254 VanDerWaalsContact SG-C 3.59Å; C249-L255 WeakPolarHBondContact SG-CA 3.38Å; C249-L255 PolarHBondContact SG-N 3.5Å; C249-C262 WeakPolarHBondContact CA-SG 3.49Å; C249-C262 HydrophobicContact CB-CB 3.78Å; C249-C262 WeakPolarHBondContact CB-SG 3.34Å; C249-C262 WeakPolarHBondContact SG-CB 3.39Å; C249-C262 CovalentContact SG-SG 2.04Å; C249-C262 PolarHBondContact SG-SG 3.18Å
250D94.7Very high93.7Very high77 Ų7775.2 Ų75.241%0.41240%0.395SS..PPolyproline II helixtrans-64.5158.4171.8-66.9-22.3000109.8G252 Y253D250-G252 PolarHBondContact O-N 3.48Å; D250-Y253 HydrophobicContact CB-CD2 4.31Å; D250-Y253 PolarHBondContact O-N 3.16Å; D250-Y253 VanDerWaalsContact O-N 3.14Å
251P92.3Very high93.7Very high120 Ų12077.1 Ų77.178%0.77940%0.403SS*.THydrogen-bonded Turntrans-54.1135.5177.4-24.334.4000111.9
252G90.8Very high93.7Very high21 Ų2175.5 Ų75.522%0.21639%0.393CS..THydrogen-bonded Turntrans901.7-176.400000114.5D250 M265D250-G252 PolarHBondContact O-N 3.48Å; G252-M265 WeakPolarHBondContact O-CB 3.29Å; G252-M265 PolarHBondContact O-N 3.49Å
253Y94.8Very high93.8Very high60 Ų6069.3 Ų69.324%0.23537%0.374CS..EExtended strand (participates in β ladder)trans-122.8150.6176-65.3-98.9000111.3D250 C262 S263 D264 P283 G284D250-Y253 HydrophobicContact CB-CD2 4.31Å; D250-Y253 PolarHBondContact O-N 3.16Å; D250-Y253 VanDerWaalsContact O-N 3.14Å; Y253-C262 HydrophobicContact CD1-CB 4.46Å; Y253-S263 CarbonylContact C-O 3.5Å; Y253-S263 VanDerWaalsContact CA-O 3.24Å; Y253-S263 WeakPolarHBondContact CA-O 3.08Å; Y253-D264 HydrophobicContact CD1-CB 4.22Å; Y253-D264 HydrophobicContact CE1-CB 4.01Å; Y253-P283 VanDerWaalsContact OH-CB 3.23Å; Y253-P283 WeakPolarHBondContact OH-CB 3.49Å; Y253-G284 PolarHBondContact OH-N 3.46Å
254E93.8Very high94Very high105 Ų10570.5 Ų70.549%0.49138%0.375SS..EExtended strand (participates in β ladder)trans-114.2147173.366-179.9179.600111.4C249 C262 S263 M265C249-E254 VanDerWaalsContact SG-C 3.59Å; E254-C262 CarbonylContact O-C 3.45Å; E254-C262 VanDerWaalsContact O-CA 3.29Å; E254-C262 WeakPolarHBondContact O-CA 3.44Å; E254-S263 VanDerWaalsContact CG-OG 3.3Å; E254-S263 WeakPolarHBondContact CG-OG 3.06Å; E254-S263 PolarHBondContact N-O 2.9Å; E254-S263 PolarHBondContact O-N 3.38Å; E254-M265 HydrophobicContact CB-CG 3.83Å; E254-M265 HydrophobicContact CB-SD 4.19Å; E254-M265 HydrophobicContact CG-CG 4.02Å
255L95.1Very high94Very high77 Ų7771.5 Ų71.540%0.40337%0.374SS..EExtended strand (participates in β ladder)trans-78.9126.9179.5-168.972.7000109.3C247 C249C247-L255 HydrophobicContact CB-CD1 4.03Å; C249-L255 WeakPolarHBondContact SG-CA 3.38Å; C249-L255 PolarHBondContact SG-N 3.5Å
256E94.6Very high93.9Very high87 Ų8772 Ų7241%0.40738%0.38SS..  trans-69.6167.2177.2-67.6-171-157.500111.8D258 G259 H261E256-D258 PolarHBondContact O-N 2.99Å; E256-D258 VanDerWaalsContact O-N 3.12Å; E256-G259 PolarHBondContact O-N 2.73Å; E256-H261 HydrophobicContact CB-CB 4.27Å; E256-H261 HydrophobicContact CG-CB 4.2Å; E256-H261 PolarHBondContact N-O 2.86Å
257E94.1Very high93.8Very high211 Ų21170.4 Ų70.499%0.98637%0.367SS*.THydrogen-bonded Turntrans-64.2-18.7-176.3-154.6176.1-156.600113.1G259E257-G259 PolarHBondContact O-N 3.29Å
258D92.8Very high93.7Very high83 Ų8371.6 Ų71.644%0.44438%0.375SS..THydrogen-bonded Turntrans-76.2-10.3174.271.91.6000114E256 V260 H261E256-D258 PolarHBondContact O-N 2.99Å; E256-D258 VanDerWaalsContact O-N 3.12Å; D258-V260 PolarHBondContact O-N 3.12Å; D258-V260 PolarHBondContact OD1-N 2.58Å; D258-H261 PolarHBondContact OD1-N 3.42Å; D258-H261 IonicContact OD1-ND1 3.1Å; D258-H261 IonicContact OD2-CE1 3.52Å; D258-H261 IonicContact OD2-CG 2.72Å; D258-H261 IonicContact OD2-ND1 3.8Å; D258-H261 PolarHBondContact OD2-ND1 2.96Å
259G92.1Very high93.5Very high29 Ų2968.3 Ų68.330%0.29938%0.377SS..SBendtrans72.610.9178.200000114.7C247 E256 E257C247-G259 VanDerWaalsContact CB-O 3.31Å; C247-G259 WeakPolarHBondContact CB-O 3.18Å; C247-G259 PolarHBondContact SG-O 3.26Å; E256-G259 PolarHBondContact O-N 2.73Å; E257-G259 PolarHBondContact O-N 3.29Å
260V93.2Very high92.9Very high36 Ų3675.2 Ų75.222%0.21840%0.404CS..SBendtrans-131.2-38.5-171.1177.30000112.8P233 V235 D258P233-V260 WeakPolarHBondContact O-CG1 3.33Å; V235-V260 PolarHBondContact N-O 3.38Å; D258-V260 PolarHBondContact O-N 3.12Å; D258-V260 PolarHBondContact OD1-N 2.58Å
261H93.1Very high92.3Very high90 Ų9073.6 Ų73.642%0.41740%0.398SS..  trans-90.8151.1178.9-68.180.6000111.3V235 E256 D258V235-H261 HydrophobicContact CG2-CB 4.4Å; V235-H261 VanDerWaalsContact CG2-CD2 3.49Å; V235-H261 WeakPolarHBondContact CG2-CD2 3.44Å; E256-H261 HydrophobicContact CB-CB 4.27Å; E256-H261 HydrophobicContact CG-CB 4.2Å; E256-H261 PolarHBondContact N-O 2.86Å; D258-H261 PolarHBondContact OD1-N 3.42Å; D258-H261 IonicContact OD1-ND1 3.1Å; D258-H261 IonicContact OD2-CE1 3.52Å; D258-H261 IonicContact OD2-CG 2.72Å; D258-H261 IonicContact OD2-ND1 3.8Å; D258-H261 PolarHBondContact OD2-ND1 2.96Å
262C95.1Very high91.8Very high18 Ų1876.3 Ų76.312%0.12240%0.401CS..EExtended strand (participates in β ladder)trans-121.2119.2179.2-67.50000108.7Q236 C249 Y253 E254Q236-C262 HydrophobicContact CG-CB 4.22Å; C249-C262 WeakPolarHBondContact CA-SG 3.49Å; C249-C262 HydrophobicContact CB-CB 3.78Å; C249-C262 WeakPolarHBondContact CB-SG 3.34Å; C249-C262 WeakPolarHBondContact SG-CB 3.39Å; C249-C262 CovalentContact SG-SG 2.04Å; C249-C262 PolarHBondContact SG-SG 3.18Å; Y253-C262 HydrophobicContact CD1-CB 4.46Å; E254-C262 CarbonylContact O-C 3.45Å; E254-C262 VanDerWaalsContact O-CA 3.29Å; E254-C262 WeakPolarHBondContact O-CA 3.44Å
263S94.2Very high91.4Very high33 Ų3383.9 Ų83.923%0.23143%0.428CS..EExtended strand (participates in β ladder)trans-96.7143.3174.654.40000110.5Y253 E254 M265Y253-S263 CarbonylContact C-O 3.5Å; Y253-S263 VanDerWaalsContact CA-O 3.24Å; Y253-S263 WeakPolarHBondContact CA-O 3.08Å; E254-S263 VanDerWaalsContact CG-OG 3.3Å; E254-S263 WeakPolarHBondContact CG-OG 3.06Å; E254-S263 PolarHBondContact N-O 2.9Å; E254-S263 PolarHBondContact O-N 3.38Å; S263-M265 PolarHBondContact O-N 2.72Å
264D95.3Very high91.2Very high47 Ų4782.2 Ų82.225%0.25142%0.423SS..EExtended strand (participates in β ladder)trans-63.2132.3175.2179.959.8000110.7Y253 D266 N281 P283 G284Y253-D264 HydrophobicContact CD1-CB 4.22Å; Y253-D264 HydrophobicContact CE1-CB 4.01Å; D264-D266 PolarHBondContact O-N 3.3Å; D264-N281 PolarHBondContact OD2-ND2 3.45Å; D264-N281 PolarHBondContact OD2-OD1 2.92Å; D264-P283 WeakPolarHBondContact OD1-CA 3.41Å; D264-G284 PolarHBondContact OD1-N 2.88Å
265M93.1Very high91Very high76 Ų7677.9 Ų77.937%0.37440%0.404SS..  trans-83106.9175.7-68.9-171.570.200109.4G252 E254 S263 E267G252-M265 WeakPolarHBondContact O-CB 3.29Å; G252-M265 PolarHBondContact O-N 3.49Å; E254-M265 HydrophobicContact CB-CG 3.83Å; E254-M265 HydrophobicContact CB-SD 4.19Å; E254-M265 HydrophobicContact CG-CG 4.02Å; S263-M265 PolarHBondContact O-N 2.72Å; M265-E267 PolarHBondContact O-N 3.05Å; M265-E267 VanDerWaalsContact O-OE2 3.07Å
266D92.9Very high90.8Very high67 Ų6777.8 Ų77.836%0.35840%0.401SS..  trans-70.893.4176.6-174.8-21.1000111.1D264 C268 S269 F270D264-D266 PolarHBondContact O-N 3.3Å; D266-C268 PolarHBondContact O-N 3.38Å; D266-C268 WeakPolarHBondContact OD1-CA 3.37Å; D266-C268 VanDerWaalsContact OD1-CB 3.29Å; D266-C268 WeakPolarHBondContact OD1-CB 3.25Å; D266-C268 PolarHBondContact OD1-N 3.25Å; D266-S269 PolarHBondContact O-N 3.31Å; D266-S269 PolarHBondContact O-OG 3.4Å; D266-S269 PolarHBondContact OD1-N 2.8Å; D266-F270 PolarHBondContact O-N 2.96Å
267E92.2Very high90.5Very high41 Ų4177 Ų7719%0.19240%0.397CS..Hα-helixtrans-67.9-24.9-177.6-55.497.4152.100112.4M265 S269 F270 S271 L274 N281 Y286M265-E267 PolarHBondContact O-N 3.05Å; M265-E267 VanDerWaalsContact O-OE2 3.07Å; E267-S269 VanDerWaalsContact C-N 3.32Å; E267-F270 PolarHBondContact O-N 2.63Å; E267-S271 PolarHBondContact O-N 3.33Å; E267-L274 HydrophobicContact CB-CD2 3.7Å; E267-N281 PolarHBondContact OE2-OD1 2.89Å; E267-Y286 HydrophobicContact CB-CD1 3.73Å; E267-Y286 HydrophobicContact CB-CE1 4.3Å; E267-Y286 HydrophobicContact CB-CG 4.18Å; E267-Y286 HydrophobicContact CG-CD1 3.84Å; E267-Y286 HydrophobicContact CG-CE1 4.4Å; E267-Y286 WeakPolarHBondContact OE2-CB 3.21Å
268C92.4Very high90.4Very high31 Ų3172 Ų7221%0.20937%0.374CS..Hα-helixtrans-68.8-32.8176.2-58.60000111.8D266 F270 C279 V280 N281D266-C268 PolarHBondContact O-N 3.38Å; D266-C268 WeakPolarHBondContact OD1-CA 3.37Å; D266-C268 VanDerWaalsContact OD1-CB 3.29Å; D266-C268 WeakPolarHBondContact OD1-CB 3.25Å; D266-C268 PolarHBondContact OD1-N 3.25Å; C268-F270 VanDerWaalsContact C-N 3.35Å; C268-C279 WeakPolarHBondContact CA-SG 3.45Å; C268-C279 HydrophobicContact CB-CB 3.73Å; C268-C279 WeakPolarHBondContact CB-SG 3.01Å; C268-C279 WeakPolarHBondContact SG-CB 3.3Å; C268-C279 CovalentContact SG-SG 2.04Å; C268-C279 PolarHBondContact SG-SG 3.12Å; C268-V280 VanDerWaalsContact SG-C 3.56Å; C268-V280 PolarHBondContact SG-N 3.42Å; C268-N281 PolarHBondContact SG-N 2.96Å; C268-N281 VanDerWaalsContact SG-N 3.35Å
269S90.6Very high90.4Very high94 Ų9469.8 Ų69.866%0.65737%0.365SS*.Hα-helixtrans-74.5-25.7174.278.40000113.1D266 E267D266-S269 PolarHBondContact O-N 3.31Å; D266-S269 PolarHBondContact O-OG 3.4Å; D266-S269 PolarHBondContact OD1-N 2.8Å; E267-S269 VanDerWaalsContact C-N 3.32Å
270F84.1Confident90.5Very high177 Ų17770.5 Ų70.578%0.77636%0.363SS*.Hα-helixtrans-82.2-30.7-173.1-162.4-94.6000113.2D266 E267 C268D266-F270 PolarHBondContact O-N 2.96Å; E267-F270 PolarHBondContact O-N 2.63Å; C268-F270 VanDerWaalsContact C-N 3.35Å
271S82.6Confident90.5Very high42 Ų4271.3 Ų71.329%0.29437%0.366SS..  trans-146.1113.1-177.2177.60000112.9E267 F273 L274E267-S271 PolarHBondContact O-N 3.33Å; S271-F273 PolarHBondContact O-N 2.04Å; S271-F273 VanDerWaalsContact O-N 3.12Å; S271-F273 PolarHBondContact OG-N 2.83Å; S271-L274 WeakPolarHBondContact O-CB 3.23Å; S271-L274 PolarHBondContact O-N 2.91Å
272E80.1Confident90.5Very high178 Ų17871 Ų7183%0.83237%0.365SS*.THydrogen-bonded Turntrans-64.4-14.8174.1-63.3-172.5164.700113.6
273F83.9Confident90.4Very high180 Ų18075 Ų7579%0.78939%0.391SS*.THydrogen-bonded Turntrans-105.614.6-178.5-54.3-72000113.2S271S271-F273 PolarHBondContact O-N 2.04Å; S271-F273 VanDerWaalsContact O-N 3.12Å; S271-F273 PolarHBondContact OG-N 2.83Å
274L88.8Confident90.3Very high25 Ų2574.4 Ų74.413%0.13139%0.39CS..SBendtrans-68.3-42.3-177-166.474.4000112.5E267 S271 Y286 R301E267-L274 HydrophobicContact CB-CD2 3.7Å; S271-L274 WeakPolarHBondContact O-CB 3.23Å; S271-L274 PolarHBondContact O-N 2.91Å; L274-Y286 HydrophobicContact CD1-CE1 4.43Å; L274-Y286 HydrophobicContact CD1-CE2 4.41Å; L274-Y286 HydrophobicContact CD2-CD1 3.92Å; L274-Y286 HydrophobicContact CD2-CD2 3.46Å; L274-Y286 VanDerWaalsContact CD2-CD2 3.46Å; L274-Y286 HydrophobicContact CD2-CE1 3.77Å; L274-Y286 HydrophobicContact CD2-CE2 3.29Å; L274-Y286 HydrophobicContact CD2-CG 3.78Å; L274-Y286 VanDerWaalsContact CD2-CZ 3.46Å; L274-Y286 HydrophobicContact CG-CD2 4.25Å; L274-Y286 HydrophobicContact CG-CE1 4.36Å; L274-Y286 HydrophobicContact CG-CE2 3.6Å; L274-R301 WeakPolarHBondContact O-CG 3.33Å; L274-R301 PolarHBondContact O-NH1 3.43Å
275C91.1Very high90.2Very high13 Ų1375.4 Ų75.49%0.08840%0.398CS..SBendtrans-115.9149.9176.9-61.10000109.5H277 C279 C288C275-H277 VanDerWaalsContact C-N 3.28Å; C275-H277 PolarHBondContact O-N 3.09Å; C275-C279 HydrophobicContact CB-CB 4.15Å; C275-C279 VanDerWaalsContact SG-CB 3.54Å; C275-C288 WeakPolarHBondContact CA-SG 3.47Å; C275-C288 HydrophobicContact CB-CB 3.61Å; C275-C288 WeakPolarHBondContact CB-SG 3.49Å; C275-C288 WeakPolarHBondContact SG-CA 3.45Å; C275-C288 WeakPolarHBondContact SG-CB 3.41Å; C275-C288 CovalentContact SG-SG 2.02Å; C275-C288 PolarHBondContact SG-SG 3.49Å
276Q89.7Confident90.2Very high75 Ų7574.2 Ų74.235%0.3539%0.39SS..SBendtrans-69.7-27.3176-171.8178-3.400112.6R301 S302 C303 F465Q276-R301 WeakPolarHBondContact CB-O 3.39Å; Q276-R301 PolarHBondContact N-O 3.39Å; Q276-S302 VanDerWaalsContact OE1-CA 3.32Å; Q276-C303 PolarHBondContact OE1-O 2.65Å; Q276-F465 HydrophobicContact CG-CD1 4.22Å
277H89Confident90.2Very high70 Ų7075.1 Ų75.132%0.32439%0.391SS..SBendtrans-128.6-90.4179.8-16870.6000113.4C275 Y463C275-H277 VanDerWaalsContact C-N 3.28Å; C275-H277 PolarHBondContact O-N 3.09Å; H277-Y463 AromaticContact CE1-CD1 3.84Å
278E91.4Very high90.4Very high106 Ų10673.4 Ų73.450%0.49538%0.383SS..EExtended strand (participates in β ladder)trans-107.7133.6-175.9179.5-179.4-150.800109.6V280 C288 S289E278-V280 HydrophobicContact CG-CG2 4.28Å; E278-C288 CarbonylContact O-C 3.44Å; E278-C288 WeakPolarHBondContact O-CA 3.2Å; E278-S289 VanDerWaalsContact CB-OG 3.3Å; E278-S289 WeakPolarHBondContact CB-OG 3.23Å; E278-S289 WeakPolarHBondContact CG-OG 3.5Å; E278-S289 PolarHBondContact N-O 3.14Å; E278-S289 PolarHBondContact O-N 3.31Å; E278-S289 PolarHBondContact OE2-OG 3.37Å
279C94Very high90.4Very high37 Ų3773.2 Ų73.225%0.2538%0.382CS..EExtended strand (participates in β ladder)trans-109.3130.3174.8-174.40000108.4C268 C275C268-C279 WeakPolarHBondContact CA-SG 3.45Å; C268-C279 HydrophobicContact CB-CB 3.73Å; C268-C279 WeakPolarHBondContact CB-SG 3.01Å; C268-C279 WeakPolarHBondContact SG-CB 3.3Å; C268-C279 CovalentContact SG-SG 2.04Å; C268-C279 PolarHBondContact SG-SG 3.12Å; C275-C279 HydrophobicContact CB-CB 4.15Å; C275-C279 VanDerWaalsContact SG-CB 3.54Å
280V93.2Very high90.6Very high45 Ų4570.1 Ų70.127%0.27336%0.36SS..EExtended strand (participates in β ladder)trans-120.3115.1176.5-176.90000108.6C268 E278 Y286 F287C268-V280 VanDerWaalsContact SG-C 3.56Å; C268-V280 PolarHBondContact SG-N 3.42Å; E278-V280 HydrophobicContact CG-CG2 4.28Å; V280-Y286 WeakPolarHBondContact O-CA 3.35Å; V280-F287 HydrophobicContact CB-CD1 4.05Å; V280-F287 HydrophobicContact CB-CE1 3.52Å; V280-F287 HydrophobicContact CB-CE2 4.17Å; V280-F287 HydrophobicContact CB-CZ 3.6Å; V280-F287 HydrophobicContact CG1-CD1 4.34Å; V280-F287 HydrophobicContact CG1-CE1 3.48Å; V280-F287 VanDerWaalsContact CG1-CE1 3.48Å; V280-F287 HydrophobicContact CG1-CZ 3.72Å; V280-F287 HydrophobicContact CG2-CE1 4.31Å; V280-F287 HydrophobicContact CG2-CE2 4.18Å; V280-F287 HydrophobicContact CG2-CZ 3.86Å; V280-F287 PolarHBondContact N-O 3.36Å; V280-F287 PolarHBondContact O-N 3.4Å; V280-F287 VanDerWaalsContact O-N 3.08Å
281N93.8Very high91Very high52 Ų5262.1 Ų62.128%0.27833%0.326SS..EExtended strand (participates in β ladder)trans-71.2140.6176.5-172.738000110.7D264 E267 C268D264-N281 PolarHBondContact OD2-ND2 3.45Å; D264-N281 PolarHBondContact OD2-OD1 2.92Å; E267-N281 PolarHBondContact OE2-OD1 2.89Å; C268-N281 PolarHBondContact SG-N 2.96Å; C268-N281 VanDerWaalsContact SG-N 3.35Å
282Q93.3Very high91.5Very high83 Ų8364.8 Ų64.839%0.38834%0.342SS..EExtended strand (participates in β ladder)trans-136.8156.7175.9-65.6-170-44.100110.1G284 T285 F287Q282-G284 PolarHBondContact O-N 2.88Å; Q282-T285 CarbonylContact C-O 3.54Å; Q282-T285 VanDerWaalsContact CA-O 3.23Å; Q282-T285 WeakPolarHBondContact CA-O 3.04Å; Q282-T285 HydrophobicContact CB-CG2 4.05Å; Q282-T285 WeakPolarHBondContact CB-O 3.3Å; Q282-T285 PolarHBondContact N-O 3.12Å; Q282-T285 CarbonylContact O-C 3.56Å; Q282-T285 PolarHBondContact O-N 2.02Å; Q282-F287 HydrophobicContact CG-CD1 3.84Å; Q282-F287 HydrophobicContact CG-CE1 3.9Å; Q282-F287 VanDerWaalsContact NE2-CE1 3.27Å
283P93.1Very high92Very high104 Ų10457.2 Ų57.268%0.67531%0.312SS*.THydrogen-bonded Turntrans-59.4113.9178.1-24.635000112.5Y253 D264 T285Y253-P283 VanDerWaalsContact OH-CB 3.23Å; Y253-P283 WeakPolarHBondContact OH-CB 3.49Å; D264-P283 WeakPolarHBondContact OD1-CA 3.41Å; P283-T285 VanDerWaalsContact C-N 3.34Å
284G91.2Very high92.5Very high20 Ų2049.4 Ų49.421%0.20628%0.277CS..THydrogen-bonded Turntrans81.42.1179.900000115.4Y253 D264 Q282Y253-G284 PolarHBondContact OH-N 3.46Å; D264-G284 PolarHBondContact OD1-N 2.88Å; Q282-G284 PolarHBondContact O-N 2.88Å
285T93.1Very high92.7Very high68 Ų6852.3 Ų52.342%0.41729%0.292SS..EExtended strand (participates in β ladder)trans-166.3176.5-177-160.50000112.2Q282 P283Q282-T285 CarbonylContact C-O 3.54Å; Q282-T285 VanDerWaalsContact CA-O 3.23Å; Q282-T285 WeakPolarHBondContact CA-O 3.04Å; Q282-T285 HydrophobicContact CB-CG2 4.05Å; Q282-T285 WeakPolarHBondContact CB-O 3.3Å; Q282-T285 PolarHBondContact N-O 3.12Å; Q282-T285 CarbonylContact O-C 3.56Å; Q282-T285 PolarHBondContact O-N 2.02Å; P283-T285 VanDerWaalsContact C-N 3.34Å
286Y93.5Very high92.9Very high50 Ų5054.6 Ų54.620%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-137161.7170.569.8-79.6000109.5E267 L274 V280 R301E267-Y286 HydrophobicContact CB-CD1 3.73Å; E267-Y286 HydrophobicContact CB-CE1 4.3Å; E267-Y286 HydrophobicContact CB-CG 4.18Å; E267-Y286 HydrophobicContact CG-CD1 3.84Å; E267-Y286 HydrophobicContact CG-CE1 4.4Å; E267-Y286 WeakPolarHBondContact OE2-CB 3.21Å; L274-Y286 HydrophobicContact CD1-CE1 4.43Å; L274-Y286 HydrophobicContact CD1-CE2 4.41Å; L274-Y286 HydrophobicContact CD2-CD1 3.92Å; L274-Y286 HydrophobicContact CD2-CD2 3.46Å; L274-Y286 VanDerWaalsContact CD2-CD2 3.46Å; L274-Y286 HydrophobicContact CD2-CE1 3.77Å; L274-Y286 HydrophobicContact CD2-CE2 3.29Å; L274-Y286 HydrophobicContact CD2-CG 3.78Å; L274-Y286 VanDerWaalsContact CD2-CZ 3.46Å; L274-Y286 HydrophobicContact CG-CD2 4.25Å; L274-Y286 HydrophobicContact CG-CE1 4.36Å; L274-Y286 HydrophobicContact CG-CE2 3.6Å; V280-Y286 WeakPolarHBondContact O-CA 3.35Å; Y286-R301 PolarHBondContact OH-NE 3.44Å; Y286-R301 PolarHBondContact OH-NH2 3.02Å
287F93.5Very high93.1Very high87 Ų8754 Ų5438%0.38230%0.302SS..EExtended strand (participates in β ladder)trans-132.4148.5167.473.9-82.8000110.8V280 Q282V280-F287 HydrophobicContact CB-CD1 4.05Å; V280-F287 HydrophobicContact CB-CE1 3.52Å; V280-F287 HydrophobicContact CB-CE2 4.17Å; V280-F287 HydrophobicContact CB-CZ 3.6Å; V280-F287 HydrophobicContact CG1-CD1 4.34Å; V280-F287 HydrophobicContact CG1-CE1 3.48Å; V280-F287 VanDerWaalsContact CG1-CE1 3.48Å; V280-F287 HydrophobicContact CG1-CZ 3.72Å; V280-F287 HydrophobicContact CG2-CE1 4.31Å; V280-F287 HydrophobicContact CG2-CE2 4.18Å; V280-F287 HydrophobicContact CG2-CZ 3.86Å; V280-F287 PolarHBondContact N-O 3.36Å; V280-F287 PolarHBondContact O-N 3.4Å; V280-F287 VanDerWaalsContact O-N 3.08Å; Q282-F287 HydrophobicContact CG-CD1 3.84Å; Q282-F287 HydrophobicContact CG-CE1 3.9Å; Q282-F287 VanDerWaalsContact NE2-CE1 3.27Å
288C95.1Very high93.3Very high5 Ų558.7 Ų58.73%0.03433%0.33CS..EExtended strand (participates in β ladder)trans-92.9137.6174.1-56.50000109.9C275 E278 L296 N300C275-C288 WeakPolarHBondContact CA-SG 3.47Å; C275-C288 HydrophobicContact CB-CB 3.61Å; C275-C288 WeakPolarHBondContact CB-SG 3.49Å; C275-C288 WeakPolarHBondContact SG-CA 3.45Å; C275-C288 WeakPolarHBondContact SG-CB 3.41Å; C275-C288 CovalentContact SG-SG 2.02Å; C275-C288 PolarHBondContact SG-SG 3.49Å; E278-C288 CarbonylContact O-C 3.44Å; E278-C288 WeakPolarHBondContact O-CA 3.2Å; C288-L296 HydrophobicContact CB-CD1 3.99Å; C288-L296 WeakPolarHBondContact O-CD2 3.39Å; C288-N300 VanDerWaalsContact CB-O 3.3Å; C288-N300 WeakPolarHBondContact CB-O 3.46Å; C288-N300 PolarHBondContact SG-O 3.21Å
289S93.9Very high93.3Very high26 Ų2657.4 Ų57.418%0.18233%0.326CS..EExtended strand (participates in β ladder)trans-113143171.946.80000110.8E278E278-S289 VanDerWaalsContact CB-OG 3.3Å; E278-S289 WeakPolarHBondContact CB-OG 3.23Å; E278-S289 WeakPolarHBondContact CG-OG 3.5Å; E278-S289 PolarHBondContact N-O 3.14Å; E278-S289 PolarHBondContact O-N 3.31Å; E278-S289 PolarHBondContact OE2-OG 3.37Å
290C94.2Very high93.2Very high29 Ų2960.8 Ų60.820%0.19634%0.342CS..PPolyproline II helixtrans-101.5147.2174-65.60000110.5L296 C303C290-L296 VanDerWaalsContact SG-CD1 3.59Å; C290-C303 WeakPolarHBondContact CA-SG 3.3Å; C290-C303 HydrophobicContact CB-CB 3.89Å; C290-C303 WeakPolarHBondContact CB-SG 3.04Å; C290-C303 WeakPolarHBondContact SG-CA 3.44Å; C290-C303 WeakPolarHBondContact SG-CB 3.48Å; C290-C303 CovalentContact SG-SG 2.04Å; C290-C303 PolarHBondContact SG-SG 3.44Å
291P93.4Very high93.2Very high9 Ų963.4 Ų63.46%0.05835%0.347CS..PPolyproline II helixtrans-71166.7178.629.4-31.4000111.3G293 Y294 Y463 F465P291-G293 PolarHBondContact O-N 2.79Å; P291-Y294 HydrophobicContact CG-CD2 3.77Å; P291-Y294 HydrophobicContact CG-CE2 4.31Å; P291-Y294 HydrophobicContact CG-CG 4.35Å; P291-Y294 WeakPolarHBondContact O-CB 3.02Å; P291-Y294 PolarHBondContact O-N 2.04Å; P291-Y294 VanDerWaalsContact O-N 3.13Å; P291-Y463 HydrophobicContact CB-CD1 4.09Å; P291-Y463 HydrophobicContact CB-CD2 3.74Å; P291-Y463 HydrophobicContact CB-CE1 3.9Å; P291-Y463 HydrophobicContact CB-CE2 3.55Å; P291-Y463 HydrophobicContact CB-CG 4.02Å; P291-Y463 HydrophobicContact CG-CD1 4.4Å; P291-Y463 HydrophobicContact CG-CD2 3.74Å; P291-Y463 HydrophobicContact CG-CE2 4.07Å; P291-Y463 HydrophobicContact CG-CG 3.94Å; P291-F465 HydrophobicContact CG-CE1 4.22Å; P291-F465 HydrophobicContact CG-CZ 3.68Å
292P91.6Very high93.1Very high99 Ų9962.7 Ų62.764%0.64335%0.345SS*.THydrogen-bonded Turntrans-52.9138175.7-25.633.9000112.4
293G90.9Very high93.1Very high19 Ų1959.3 Ų59.320%0.19633%0.331CS..THydrogen-bonded Turntrans89.4-0.4-174.500000114.2P291 I306P291-G293 PolarHBondContact O-N 2.79Å; G293-I306 WeakPolarHBondContact O-CB 3.31Å; G293-I306 WeakPolarHBondContact O-CG1 3.5Å; G293-I306 PolarHBondContact O-N 3.18Å
294Y93.9Very high93.1Very high16 Ų1659.2 Ų59.26%0.06332%0.321CS..EExtended strand (participates in β ladder)trans-126.1152178.8-66.1-97.2000111.7P291 C303 Q304 D305 Q326 G327 Y463 F465P291-Y294 HydrophobicContact CG-CD2 3.77Å; P291-Y294 HydrophobicContact CG-CE2 4.31Å; P291-Y294 HydrophobicContact CG-CG 4.35Å; P291-Y294 WeakPolarHBondContact O-CB 3.02Å; P291-Y294 PolarHBondContact O-N 2.04Å; P291-Y294 VanDerWaalsContact O-N 3.13Å; Y294-C303 HydrophobicContact CD1-CB 4.16Å; Y294-C303 HydrophobicContact CG-CB 4.46Å; Y294-Q304 CarbonylContact C-O 3.15Å; Y294-Q304 VanDerWaalsContact CA-O 3.27Å; Y294-Q304 WeakPolarHBondContact CA-O 3.01Å; Y294-D305 HydrophobicContact CD1-CB 4.17Å; Y294-D305 HydrophobicContact CE1-CB 3.77Å; Y294-Q326 WeakPolarHBondContact OH-CA 3.46Å; Y294-Q326 VanDerWaalsContact OH-CB 3.31Å; Y294-Q326 WeakPolarHBondContact OH-CB 3.43Å; Y294-Q326 PolarHBondContact OH-OE1 2.82Å; Y294-G327 PolarHBondContact OH-N 2.86Å; Y294-Y463 HydrophobicContact CE2-CD2 4.38Å; Y294-F465 HydrophobicContact CD1-CE1 4.28Å; Y294-F465 HydrophobicContact CD1-CE2 4.43Å; Y294-F465 AromaticContact CD1-CZ 3.86Å; Y294-F465 HydrophobicContact CD1-CZ 3.86Å; Y294-F465 HydrophobicContact CD2-CE2 4.35Å; Y294-F465 AromaticContact CD2-CZ 3.78Å; Y294-F465 HydrophobicContact CD2-CZ 3.78Å; Y294-F465 HydrophobicContact CE1-CD2 4.35Å; Y294-F465 HydrophobicContact CE1-CE1 4.17Å; Y294-F465 AromaticContact CE1-CE2 3.65Å; Y294-F465 HydrophobicContact CE1-CE2 3.65Å; Y294-F465 AromaticContact CE1-CZ 3.53Å; Y294-F465 HydrophobicContact CE1-CZ 3.53Å; Y294-F465 AromaticContact CE2-CE2 3.51Å; Y294-F465 HydrophobicContact CE2-CE2 3.51Å; Y294-F465 AromaticContact CE2-CZ 3.4Å; Y294-F465 HydrophobicContact CE2-CZ 3.4Å; Y294-F465 VanDerWaalsContact CE2-CZ 3.4Å; Y294-F465 AromaticContact CG-CZ 4Å; Y294-F465 HydrophobicContact CG-CZ 4Å; Y294-F465 AromaticContact CZ-CE2 3.13Å; Y294-F465 AromaticContact CZ-CZ 3.31Å; Y294-F465 WeakPolarHBondContact OH-CE2 3.38Å
295I93.4Very high93.2Very high85 Ų8559.5 Ų59.544%0.43632%0.318SS..EExtended strand (participates in β ladder)trans-116.2146170.553.6171.3000110.4C303 Q304 I306I295-C303 WeakPolarHBondContact O-CA 3.29Å; I295-Q304 HydrophobicContact CG1-CB 4.22Å; I295-Q304 PolarHBondContact N-O 3.24Å; I295-Q304 PolarHBondContact O-N 3.22Å; I295-I306 HydrophobicContact CG1-CG1 4.39Å; I295-I306 HydrophobicContact CG2-CD1 3.79Å; I295-I306 HydrophobicContact CG2-CG1 3.78Å
296L94.9Very high93.3Very high62 Ų6258.3 Ų58.333%0.32531%0.309SS..EExtended strand (participates in β ladder)trans-75.4131.6172.9-165.671000109.2C288 C290 N300C288-L296 HydrophobicContact CB-CD1 3.99Å; C288-L296 WeakPolarHBondContact O-CD2 3.39Å; C290-L296 VanDerWaalsContact SG-CD1 3.59Å; L296-N300 HydrophobicContact CD2-CB 4.29Å
297L94.4Very high93.3Very high62 Ų6257.6 Ų57.633%0.32531%0.309SS..  trans-76.1168.9176.4-71.9-179.7000111.7D299 N300 S302 Q304L297-D299 PolarHBondContact O-N 3.16Å; L297-N300 PolarHBondContact O-N 3.31Å; L297-S302 PolarHBondContact N-O 2.78Å; L297-Q304 HydrophobicContact CD1-CB 4.27Å; L297-Q304 HydrophobicContact CD2-CB 3.71Å; L297-Q304 HydrophobicContact CD2-CG 4.45Å; L297-Q304 HydrophobicContact CG-CB 3.92Å
298D93.1Very high93.3Very high169 Ų16954.2 Ų54.290%0.90429%0.294SS*.THydrogen-bonded Turntrans-59.8-15.1179.7-61.8-28.8000113.9N300D298-N300 PolarHBondContact O-N 2.9Å
299D92.3Very high93.3Very high79 Ų7955.5 Ų55.542%0.42230%0.303SS..THydrogen-bonded Turntrans-77.6-2.9173.671.7-9.1000113.4L297 R301 S302L297-D299 PolarHBondContact O-N 3.16Å; D299-R301 WeakPolarHBondContact O-CG 2.94Å; D299-R301 PolarHBondContact O-N 2.88Å; D299-R301 VanDerWaalsContact O-N 3.12Å; D299-R301 PolarHBondContact OD1-N 3.3Å; D299-S302 PolarHBondContact OD1-N 2.88Å; D299-S302 WeakPolarHBondContact OD2-CB 3.24Å; D299-S302 PolarHBondContact OD2-N 3.47Å; D299-S302 PolarHBondContact OD2-OG 3.12Å
300N91.8Very high93.2Very high108 Ų10861.2 Ų61.258%0.57833%0.327SS*.SBendtrans53.722.7-175.4-72.3-10.2000114.3C288 L296 L297 D298C288-N300 VanDerWaalsContact CB-O 3.3Å; C288-N300 WeakPolarHBondContact CB-O 3.46Å; C288-N300 PolarHBondContact SG-O 3.21Å; L296-N300 HydrophobicContact CD2-CB 4.29Å; L297-N300 PolarHBondContact O-N 3.31Å; D298-N300 PolarHBondContact O-N 2.9Å
301R92.1Very high92.8Very high100 Ų10066.1 Ų66.138%0.37735%0.346SS..SBendtrans-136.8-35.7-174.6-69.1172.5-178.2-113.310.4113.5L274 Q276 Y286 D299L274-R301 WeakPolarHBondContact O-CG 3.33Å; L274-R301 PolarHBondContact O-NH1 3.43Å; Q276-R301 WeakPolarHBondContact CB-O 3.39Å; Q276-R301 PolarHBondContact N-O 3.39Å; Y286-R301 PolarHBondContact OH-NE 3.44Å; Y286-R301 PolarHBondContact OH-NH2 3.02Å; D299-R301 WeakPolarHBondContact O-CG 2.94Å; D299-R301 PolarHBondContact O-N 2.88Å; D299-R301 VanDerWaalsContact O-N 3.12Å; D299-R301 PolarHBondContact OD1-N 3.3Å
302S92.6Very high92.2Very high36 Ų3675.9 Ų75.925%0.25238%0.382SS..  trans-96.2141.4-173.9-59.80000111.2Q276 L297 D299Q276-S302 VanDerWaalsContact OE1-CA 3.32Å; L297-S302 PolarHBondContact N-O 2.78Å; D299-S302 PolarHBondContact OD1-N 2.88Å; D299-S302 WeakPolarHBondContact OD2-CB 3.24Å; D299-S302 PolarHBondContact OD2-N 3.47Å; D299-S302 PolarHBondContact OD2-OG 3.12Å
303C93.9Very high91.9Very high12 Ų1276.8 Ų76.88%0.08138%0.381CS..EExtended strand (participates in β ladder)trans-101.4125.4177.3-62.80000110.5Q276 C290 Y294 I295 F465Q276-C303 PolarHBondContact OE1-O 2.65Å; C290-C303 WeakPolarHBondContact CA-SG 3.3Å; C290-C303 HydrophobicContact CB-CB 3.89Å; C290-C303 WeakPolarHBondContact CB-SG 3.04Å; C290-C303 WeakPolarHBondContact SG-CA 3.44Å; C290-C303 WeakPolarHBondContact SG-CB 3.48Å; C290-C303 CovalentContact SG-SG 2.04Å; C290-C303 PolarHBondContact SG-SG 3.44Å; Y294-C303 HydrophobicContact CD1-CB 4.16Å; Y294-C303 HydrophobicContact CG-CB 4.46Å; I295-C303 WeakPolarHBondContact O-CA 3.29Å; C303-F465 HydrophobicContact CB-CE1 4.1Å
304Q92.9Very high91.9Very high102 Ų10278.8 Ų78.848%0.47739%0.385SS..EExtended strand (participates in β ladder)trans-106.9132.1173-178.9174.442.800110.3Y294 I295 L297Y294-Q304 CarbonylContact C-O 3.15Å; Y294-Q304 VanDerWaalsContact CA-O 3.27Å; Y294-Q304 WeakPolarHBondContact CA-O 3.01Å; I295-Q304 HydrophobicContact CG1-CB 4.22Å; I295-Q304 PolarHBondContact N-O 3.24Å; I295-Q304 PolarHBondContact O-N 3.22Å; L297-Q304 HydrophobicContact CD1-CB 4.27Å; L297-Q304 HydrophobicContact CD2-CB 3.71Å; L297-Q304 HydrophobicContact CD2-CG 4.45Å; L297-Q304 HydrophobicContact CG-CB 3.92Å
305D93.6Very high91.8Very high26 Ų2683.9 Ų83.914%0.13942%0.418CS..EExtended strand (participates in β ladder)trans-60.1133.8173.8-179.464.6000111.3Y294 N307 N324 L325 G327Y294-D305 HydrophobicContact CD1-CB 4.17Å; Y294-D305 HydrophobicContact CE1-CB 3.77Å; D305-N307 PolarHBondContact O-N 2.71Å; D305-N324 PolarHBondContact OD2-ND2 3.06Å; D305-L325 VanDerWaalsContact OD1-O 3.05Å; D305-G327 PolarHBondContact OD1-N 2.02Å
306I93.6Very high91.7Very high44 Ų4480.8 Ų80.823%0.22640%0.404CS..  trans-81.5114.9175.9-60.8169.4000107.8G293 I295 E308G293-I306 WeakPolarHBondContact O-CB 3.31Å; G293-I306 WeakPolarHBondContact O-CG1 3.5Å; G293-I306 PolarHBondContact O-N 3.18Å; I295-I306 HydrophobicContact CG1-CG1 4.39Å; I295-I306 HydrophobicContact CG2-CD1 3.79Å; I295-I306 HydrophobicContact CG2-CG1 3.78Å; I306-E308 HydrophobicContact CG2-CG 4.34Å; I306-E308 PolarHBondContact O-N 3.12Å; I306-E308 VanDerWaalsContact O-OE2 3.04Å
307N94.4Very high91.6Very high35 Ų3582.9 Ų82.919%0.18742%0.416CS..  trans-76.391.7174.8-171.9-23.9000111.3D305 C309 E310 H311 N324D305-N307 PolarHBondContact O-N 2.71Å; N307-C309 PolarHBondContact O-N 2.03Å; N307-C309 WeakPolarHBondContact OD1-CB 3.46Å; N307-C309 PolarHBondContact OD1-N 3.32Å; N307-E310 HydrophobicContact CB-CB 4.18Å; N307-E310 HydrophobicContact CB-CG 4.4Å; N307-E310 VanDerWaalsContact ND2-CG 3.31Å; N307-E310 WeakPolarHBondContact ND2-CG 3.11Å; N307-E310 PolarHBondContact ND2-OE1 3.17Å; N307-E310 VanDerWaalsContact ND2-OE1 3.14Å; N307-E310 PolarHBondContact ND2-OE2 2.82Å; N307-E310 PolarHBondContact O-N 2.96Å; N307-E310 PolarHBondContact OD1-N 3.1Å; N307-H311 PolarHBondContact O-N 2.77Å; N307-H311 VanDerWaalsContact O-N 3.11Å; N307-H311 PolarHBondContact O-ND1 2.86Å; N307-N324 VanDerWaalsContact CA-OD1 3.28Å; N307-N324 WeakPolarHBondContact CA-OD1 3.38Å
308E94.2Very high91.3Very high16 Ų1688.9 Ų88.98%0.07545%0.447CS..THydrogen-bonded Turntrans-67.1-25-176.5-59.191.416700112.7I306 R312 N313 H314 N324 G328 F329I306-E308 HydrophobicContact CG2-CG 4.34Å; I306-E308 PolarHBondContact O-N 3.12Å; I306-E308 VanDerWaalsContact O-OE2 3.04Å; E308-R312 PolarHBondContact O-N 2.81Å; E308-N313 HydrophobicContact CB-CB 4.5Å; E308-N313 PolarHBondContact O-N 3.17Å; E308-H314 PolarHBondContact O-CD2 2.95Å; E308-N324 PolarHBondContact N-OD1 2.89Å; E308-N324 PolarHBondContact OE2-OD1 2.86Å; E308-G328 VanDerWaalsContact OE1-CA 3.27Å; E308-G328 WeakPolarHBondContact OE1-CA 3.4Å; E308-F329 HydrophobicContact CB-CB 4.18Å; E308-F329 HydrophobicContact CB-CD1 3.6Å; E308-F329 HydrophobicContact CB-CE1 4.33Å; E308-F329 HydrophobicContact CB-CG 4.08Å; E308-F329 HydrophobicContact CG-CD1 3.7Å; E308-F329 HydrophobicContact CG-CE1 4.35Å; E308-F329 PolarHBondContact OE2-N 2.94Å
309C93.2Very high91.1Very high32 Ų3288.6 Ų88.622%0.21644%0.44CS..THydrogen-bonded Turntrans-68.8-35.3176.4-58.60000112.6N307 C322 Y323 N324N307-C309 PolarHBondContact O-N 2.03Å; N307-C309 WeakPolarHBondContact OD1-CB 3.46Å; N307-C309 PolarHBondContact OD1-N 3.32Å; C309-C322 WeakPolarHBondContact CA-SG 3.06Å; C309-C322 HydrophobicContact CB-CB 3.83Å; C309-C322 WeakPolarHBondContact CB-SG 3.34Å; C309-C322 WeakPolarHBondContact SG-CB 3.01Å; C309-C322 CovalentContact SG-SG 2.04Å; C309-C322 PolarHBondContact SG-SG 3.35Å; C309-Y323 VanDerWaalsContact SG-C 3.56Å; C309-Y323 PolarHBondContact SG-N 3.02Å; C309-N324 PolarHBondContact SG-N 2.92Å; C309-N324 VanDerWaalsContact SG-N 3.44Å
310E93.1Very high91.1Very high146 Ų14687 Ų8768%0.68243%0.43SS*.THydrogen-bonded Turntrans-78-40.1174.8-76.6177.1-175.800112N307 R312N307-E310 HydrophobicContact CB-CB 4.18Å; N307-E310 HydrophobicContact CB-CG 4.4Å; N307-E310 VanDerWaalsContact ND2-CG 3.31Å; N307-E310 WeakPolarHBondContact ND2-CG 3.11Å; N307-E310 PolarHBondContact ND2-OE1 3.17Å; N307-E310 VanDerWaalsContact ND2-OE1 3.14Å; N307-E310 PolarHBondContact ND2-OE2 2.82Å; N307-E310 PolarHBondContact O-N 2.96Å; N307-E310 PolarHBondContact OD1-N 3.1Å; E310-R312 PolarHBondContact O-N 2.84Å
311H86.2Confident91.1Very high132 Ų13286.4 Ų86.461%0.61143%0.431SS*.THydrogen-bonded Turntrans-79.2-1.8-178-66.281000113.4N307 N313N307-H311 PolarHBondContact O-N 2.77Å; N307-H311 VanDerWaalsContact O-N 3.11Å; N307-H311 PolarHBondContact O-ND1 2.86Å; H311-N313 HydrophobicContact CB-CB 4.47Å; H311-N313 PolarHBondContact O-N 3.05Å; H311-N313 VanDerWaalsContact O-N 3.13Å
312R80.1Confident91.2Very high214 Ų21483.1 Ų83.181%0.80842%0.422SS*.THydrogen-bonded Turntrans53.127.6-174.3-57.2-176178.7-171.8-0.5113.1E308 E310 H314E308-R312 PolarHBondContact O-N 2.81Å; E310-R312 PolarHBondContact O-N 2.84Å; R312-H314 PolarHBondContact O-N 3.12Å
313N85.8Confident91.2Very high117 Ų11784.2 Ų84.263%0.62642%0.422SS*.  trans-9446.8177.9-168.823.2000110.3E308 H311E308-N313 HydrophobicContact CB-CB 4.5Å; E308-N313 PolarHBondContact O-N 3.17Å; H311-N313 HydrophobicContact CB-CB 4.47Å; H311-N313 PolarHBondContact O-N 3.05Å; H311-N313 VanDerWaalsContact O-N 3.13Å
314H89.3Confident91.2Very high61 Ų6185.6 Ų85.628%0.28243%0.428SS..  trans-129.8150.4-17764.969.7000111E308 R312 C316 C322 F329E308-H314 PolarHBondContact O-CD2 2.95Å; R312-H314 PolarHBondContact O-N 3.12Å; H314-C316 PolarHBondContact ND1-N 3.45Å; H314-C322 VanDerWaalsContact CD2-SG 3.57Å; H314-F329 HydrophobicContact CB-CD1 4.32Å; H314-F329 HydrophobicContact CB-CD2 3.66Å; H314-F329 HydrophobicContact CB-CE1 4.16Å; H314-F329 HydrophobicContact CB-CE2 3.49Å; H314-F329 VanDerWaalsContact CB-CE2 3.49Å; H314-F329 HydrophobicContact CB-CG 4.1Å; H314-F329 HydrophobicContact CB-CZ 3.76Å
315T92.4Very high91.2Very high123 Ų12382 Ų8276%0.75541%0.412SS*.  trans-96.618179.955.70000113.3
316C92.5Very high91Very high20 Ų2083.8 Ų83.814%0.13542%0.419CS..  trans-65.6139.7179.9-54.30000113H314 Q320 C331H314-C316 PolarHBondContact ND1-N 3.45Å; C316-Q320 HydrophobicContact CB-CB 4.26Å; C316-C331 WeakPolarHBondContact CA-SG 3.08Å; C316-C331 HydrophobicContact CB-CB 3.74Å; C316-C331 WeakPolarHBondContact CB-SG 3.46Å; C316-C331 PolarHBondContact N-SG 2.96Å; C316-C331 WeakPolarHBondContact SG-CA 3.44Å; C316-C331 WeakPolarHBondContact SG-CB 3.48Å; C316-C331 CovalentContact SG-SG 2.04Å; C316-C331 PolarHBondContact SG-SG 3.16Å
317N92.5Very high90.8Very high107 Ų10783 Ų8357%0.57242%0.422SS*.  trans-69.1158.6174.2-65.8-27.2000111.2Q319 Q320N317-Q319 PolarHBondContact O-N 3.24Å; N317-Q320 HydrophobicContact CB-CG 4.17Å; N317-Q320 PolarHBondContact O-N 2.62Å
318L87.4Confident90.6Very high188 Ų18882 Ų8298%0.98442%0.421SS*.THydrogen-bonded Turntrans-60-19.3177-68.7172.5000114.5
319Q89.8Confident90.6Very high163 Ų16384.3 Ų84.376%0.76243%0.43SS*.THydrogen-bonded Turntrans-90.7-11.1176.4-64.9-177.4-4.700112.8N317 P334N317-Q319 PolarHBondContact O-N 3.24Å; Q319-P334 WeakPolarHBondContact O-CD 3Å; Q319-P334 WeakPolarHBondContact O-CG 3.38Å
320Q92.4Very high90.6Very high46 Ų4685.7 Ų85.722%0.21543%0.433CS..SBendtrans-98147.2-177.3-68.7174.1-39.800110.5C316 N317 C331 I332 D333C316-Q320 HydrophobicContact CB-CB 4.26Å; N317-Q320 HydrophobicContact CB-CG 4.17Å; N317-Q320 PolarHBondContact O-N 2.62Å; Q320-C331 HydrophobicContact CB-CB 4.14Å; Q320-C331 HydrophobicContact CG-CB 4.46Å; Q320-I332 WeakPolarHBondContact CA-O 3.1Å; Q320-D333 WeakPolarHBondContact CG-OD1 3.45Å; Q320-D333 PolarHBondContact NE2-OD1 3.42Å
321T91.4Very high90.6Very high95 Ų9580.1 Ų80.158%0.58341%0.41SS*.EExtended strand (participates in β ladder)trans-92.4125.5172-56.30000108.8I332T321-I332 PolarHBondContact N-O 2.83Å; T321-I332 PolarHBondContact O-N 3.18Å
322C93.8Very high90.9Very high30 Ų3075 Ų7520%0.20339%0.386CS..EExtended strand (participates in β ladder)trans-73129.3171.8-171.40000109.7C309 H314C309-C322 WeakPolarHBondContact CA-SG 3.06Å; C309-C322 HydrophobicContact CB-CB 3.83Å; C309-C322 WeakPolarHBondContact CB-SG 3.34Å; C309-C322 WeakPolarHBondContact SG-CB 3.01Å; C309-C322 CovalentContact SG-SG 2.04Å; C309-C322 PolarHBondContact SG-SG 3.35Å; H314-C322 VanDerWaalsContact CD2-SG 3.57Å
323Y93.3Very high91.4Very high60 Ų6069.6 Ų69.624%0.23537%0.374CS..EExtended strand (participates in β ladder)trans-121.2119.5174.5-170.4-99.5000109.3C309 L325 F329 K330 I332 D369 M370 Y459C309-Y323 VanDerWaalsContact SG-C 3.56Å; C309-Y323 PolarHBondContact SG-N 3.02Å; Y323-L325 HydrophobicContact CD1-CD2 3.47Å; Y323-L325 VanDerWaalsContact CD1-CD2 3.47Å; Y323-L325 HydrophobicContact CD1-CG 4.06Å; Y323-L325 HydrophobicContact CE1-CD2 3.42Å; Y323-L325 VanDerWaalsContact CE1-CD2 3.42Å; Y323-L325 HydrophobicContact CE1-CG 4.46Å; Y323-F329 CarbonylContact O-C 3.58Å; Y323-F329 WeakPolarHBondContact O-CA 3.22Å; Y323-K330 PolarHBondContact N-O 3.33Å; Y323-K330 PolarHBondContact O-N 3.48Å; Y323-I332 VanDerWaalsContact CB-CD1 3.44Å; Y323-I332 HydrophobicContact CD1-CD1 4.36Å; Y323-I332 HydrophobicContact CD2-CD1 4.11Å; Y323-I332 HydrophobicContact CG-CD1 3.72Å; Y323-D369 HydrophobicContact CE1-CB 4.35Å; Y323-D369 HydrophobicContact CE2-CB 4.2Å; Y323-D369 PolarHBondContact OH-O 3.41Å; Y323-M370 WeakPolarHBondContact OH-CA 3.46Å; Y323-Y459 HydrophobicContact CD1-CD2 4.47Å; Y323-Y459 HydrophobicContact CD1-CE2 4.43Å; Y323-Y459 HydrophobicContact CE1-CD2 4.22Å; Y323-Y459 HydrophobicContact CE1-CE2 4.42Å
324N93.3Very high91.7Very high40 Ų4066.5 Ų66.521%0.21436%0.36CS..EExtended strand (participates in β ladder)trans-74.4136.2179-166.459.7000110.4D305 N307 E308 C309D305-N324 PolarHBondContact OD2-ND2 3.06Å; N307-N324 VanDerWaalsContact CA-OD1 3.28Å; N307-N324 WeakPolarHBondContact CA-OD1 3.38Å; E308-N324 PolarHBondContact N-OD1 2.89Å; E308-N324 PolarHBondContact OE2-OD1 2.86Å; C309-N324 PolarHBondContact SG-N 2.92Å; C309-N324 VanDerWaalsContact SG-N 3.44Å
325L92.5Very high91.8Very high27 Ų2764.7 Ų64.714%0.14135%0.352CS..EExtended strand (participates in β ladder)trans-127.1157.4178.8-64.5179.2000109.7D305 Y323 G327 G328 K330 D371 Y459D305-L325 VanDerWaalsContact OD1-O 3.05Å; Y323-L325 HydrophobicContact CD1-CD2 3.47Å; Y323-L325 VanDerWaalsContact CD1-CD2 3.47Å; Y323-L325 HydrophobicContact CD1-CG 4.06Å; Y323-L325 HydrophobicContact CE1-CD2 3.42Å; Y323-L325 VanDerWaalsContact CE1-CD2 3.42Å; Y323-L325 HydrophobicContact CE1-CG 4.46Å; L325-G327 PolarHBondContact O-N 3.11Å; L325-G328 CarbonylContact C-O 3.59Å; L325-G328 VanDerWaalsContact CA-O 3.29Å; L325-G328 WeakPolarHBondContact CA-O 3.46Å; L325-G328 WeakPolarHBondContact CB-O 3.39Å; L325-G328 PolarHBondContact N-O 2.02Å; L325-G328 PolarHBondContact O-N 3.39Å; L325-G328 VanDerWaalsContact O-N 3.14Å; L325-K330 HydrophobicContact CD1-CB 3.82Å; L325-D371 HydrophobicContact CD2-CB 3.85Å; L325-Y459 HydrophobicContact CD1-CD1 4.41Å; L325-Y459 HydrophobicContact CD1-CD2 4.4Å; L325-Y459 HydrophobicContact CD1-CG 4Å; L325-Y459 HydrophobicContact CD2-CD2 3.61Å; L325-Y459 HydrophobicContact CD2-CG 3.82Å
326Q90.6Very high91.8Very high63 Ų6369.3 Ų69.329%0.29436%0.356SS..THydrogen-bonded Turntrans-61.9106.2169.9-72.1-64.3-3600110.8Y294 D371Y294-Q326 WeakPolarHBondContact OH-CA 3.46Å; Y294-Q326 VanDerWaalsContact OH-CB 3.31Å; Y294-Q326 WeakPolarHBondContact OH-CB 3.43Å; Y294-Q326 PolarHBondContact OH-OE1 2.82Å; Q326-D371 WeakPolarHBondContact CG-OD2 3.48Å
327G88.3Confident91.9Very high27 Ų2769.8 Ų69.828%0.27836%0.359SS..THydrogen-bonded Turntrans90.715.8178.700000114.8Y294 D305 L325Y294-G327 PolarHBondContact OH-N 2.86Å; D305-G327 PolarHBondContact OD1-N 2.02Å; L325-G327 PolarHBondContact O-N 3.11Å
328G91.2Very high91.8Very high16 Ų1672.1 Ų72.117%0.16537%0.367CS..EExtended strand (participates in β ladder)trans167.8-163.7178.900000114.1E308 L325E308-G328 VanDerWaalsContact OE1-CA 3.27Å; E308-G328 WeakPolarHBondContact OE1-CA 3.4Å; L325-G328 CarbonylContact C-O 3.59Å; L325-G328 VanDerWaalsContact CA-O 3.29Å; L325-G328 WeakPolarHBondContact CA-O 3.46Å; L325-G328 WeakPolarHBondContact CB-O 3.39Å; L325-G328 PolarHBondContact N-O 2.02Å; L325-G328 PolarHBondContact O-N 3.39Å; L325-G328 VanDerWaalsContact O-N 3.14Å
329F93.3Very high92Very high63 Ų6372.4 Ų72.428%0.27636%0.363SS..EExtended strand (participates in β ladder)trans-134.5162175.467.3-81.3000111.8E308 H314 Y323E308-F329 HydrophobicContact CB-CB 4.18Å; E308-F329 HydrophobicContact CB-CD1 3.6Å; E308-F329 HydrophobicContact CB-CE1 4.33Å; E308-F329 HydrophobicContact CB-CG 4.08Å; E308-F329 HydrophobicContact CG-CD1 3.7Å; E308-F329 HydrophobicContact CG-CE1 4.35Å; E308-F329 PolarHBondContact OE2-N 2.94Å; H314-F329 HydrophobicContact CB-CD1 4.32Å; H314-F329 HydrophobicContact CB-CD2 3.66Å; H314-F329 HydrophobicContact CB-CE1 4.16Å; H314-F329 HydrophobicContact CB-CE2 3.49Å; H314-F329 VanDerWaalsContact CB-CE2 3.49Å; H314-F329 HydrophobicContact CB-CG 4.1Å; H314-F329 HydrophobicContact CB-CZ 3.76Å; Y323-F329 CarbonylContact O-C 3.58Å; Y323-F329 WeakPolarHBondContact O-CA 3.22Å
330K92.9Very high92.1Very high61 Ų6166.2 Ų66.227%0.26534%0.337SS..EExtended strand (participates in β ladder)trans-129.3134.8170.1-164.1170.5-174.1-176.10111Y323 L325 E432 Y459Y323-K330 PolarHBondContact N-O 3.33Å; Y323-K330 PolarHBondContact O-N 3.48Å; L325-K330 HydrophobicContact CD1-CB 3.82Å; K330-E432 IonicContact NZ-OE1 3.49Å; K330-E432 PolarHBondContact NZ-OE1 2.76Å; K330-E432 IonicContact NZ-OE2 3.87Å; K330-E432 PolarHBondContact NZ-OE2 3.06Å; K330-Y459 HydrophobicContact CD-CD1 4.1Å; K330-Y459 HydrophobicContact CD-CE1 3.43Å; K330-Y459 VanDerWaalsContact CD-CE1 3.43Å; K330-Y459 VanDerWaalsContact NZ-CE1 3.3Å
331C93.8Very high92.2Very high30 Ų3065.1 Ų65.120%0.20333%0.331CS..EExtended strand (participates in β ladder)trans-86.7111.3171.9-52.10000108.9C316 Q320C316-C331 WeakPolarHBondContact CA-SG 3.08Å; C316-C331 HydrophobicContact CB-CB 3.74Å; C316-C331 WeakPolarHBondContact CB-SG 3.46Å; C316-C331 PolarHBondContact N-SG 2.96Å; C316-C331 WeakPolarHBondContact SG-CA 3.44Å; C316-C331 WeakPolarHBondContact SG-CB 3.48Å; C316-C331 CovalentContact SG-SG 2.04Å; C316-C331 PolarHBondContact SG-SG 3.16Å; Q320-C331 HydrophobicContact CB-CB 4.14Å; Q320-C331 HydrophobicContact CG-CB 4.46Å
332I92.5Very high92.4Very high23 Ų2365.7 Ų65.712%0.11833%0.33CS..EExtended strand (participates in β ladder)trans-93.5120.1-178.2-55.6-176.3000108.8Q320 T321 Y323 D369Q320-I332 WeakPolarHBondContact CA-O 3.1Å; T321-I332 PolarHBondContact N-O 2.83Å; T321-I332 PolarHBondContact O-N 3.18Å; Y323-I332 VanDerWaalsContact CB-CD1 3.44Å; Y323-I332 HydrophobicContact CD1-CD1 4.36Å; Y323-I332 HydrophobicContact CD2-CD1 4.11Å; Y323-I332 HydrophobicContact CG-CD1 3.72Å; I332-D369 HydrophobicContact CD1-CB 4.03Å
333D91.6Very high92.4Very high101 Ų10170.1 Ų70.154%0.5434%0.342SS..PPolyproline II helixtrans-67.3147.6174.2-67.7-45000111.5Q320 I335Q320-D333 WeakPolarHBondContact CG-OD1 3.45Å; Q320-D333 PolarHBondContact NE2-OD1 3.42Å; D333-I335 PolarHBondContact O-N 2.57Å
334P91.2Very high92.4Very high53 Ų5371.5 Ų71.534%0.34435%0.353SS..PPolyproline II helixtrans-54.2137.1171-24.633.9000111.1Q319 R336Q319-P334 WeakPolarHBondContact O-CD 3Å; Q319-P334 WeakPolarHBondContact O-CG 3.38Å; P334-R336 PolarHBondContact O-N 3.19Å
335I92.1Very high92.3Very high23 Ų2371.8 Ų71.812%0.11836%0.358CS..PPolyproline II helixtrans-59.4141.4179.972.3173.7000110.9D333 R343 D346 Y367D333-I335 PolarHBondContact O-N 2.57Å; I335-R343 HydrophobicContact CD1-CG 4.29Å; I335-R343 HydrophobicContact CG1-CG 4.35Å; I335-D346 VanDerWaalsContact CD1-O 3.26Å; I335-D346 WeakPolarHBondContact CD1-O 3.29Å; I335-D346 WeakPolarHBondContact CG1-O 3.48Å; I335-D346 WeakPolarHBondContact CG2-O 3.35Å; I335-Y367 HydrophobicContact CB-CD2 4.39Å; I335-Y367 HydrophobicContact CD1-CD2 3.97Å; I335-Y367 HydrophobicContact CD1-CE2 4.24Å; I335-Y367 HydrophobicContact CG2-CD1 4.27Å; I335-Y367 HydrophobicContact CG2-CD2 4.03Å; I335-Y367 HydrophobicContact CG2-CG 3.86Å
336R92.1Very high92.1Very high219 Ų21975.7 Ų75.783%0.82638%0.379SS*.  trans-113.1118.9169.6-60.2-174.1-171.7-155.22.9107.7P334P334-R336 PolarHBondContact O-N 3.19Å
337C93.5Very high92.2Very high31 Ų3175.6 Ų75.621%0.20938%0.381CS..PPolyproline II helixtrans-84.3121.7174-550000108.1Y341 R343 C349C337-Y341 WeakPolarHBondContact CB-O 3.36Å; C337-R343 WeakPolarHBondContact SG-CA 3.4Å; C337-R343 VanDerWaalsContact SG-CB 3.55Å; C337-C349 VanDerWaalsContact CA-SG 3.6Å; C337-C349 HydrophobicContact CB-CB 3.89Å; C337-C349 WeakPolarHBondContact CB-SG 3.01Å; C337-C349 WeakPolarHBondContact SG-CB 3.36Å; C337-C349 CovalentContact SG-SG 2.03Å; C337-C349 PolarHBondContact SG-SG 3.25Å
338E92.2Very high92.5Very high155 Ų15579.3 Ų79.372%0.72439%0.386SS*.PPolyproline II helixtrans-72.3143.6173-66.6174.1-16900109.7Y341E338-Y341 VanDerWaalsContact O-CB 3.26Å; E338-Y341 WeakPolarHBondContact O-CB 3.29Å; E338-Y341 PolarHBondContact O-N 3.33Å
339E90.3Very high92.8Very high194 Ų19478.6 Ų78.691%0.90738%0.379SS*.THydrogen-bonded Turntrans-56135.6173.3-65.9-171.3172.600109.9
340P92.9Very high92.8Very high33 Ų3379.2 Ų79.221%0.21438%0.383CS..THydrogen-bonded Turncis-93.113.613.536-36.4000115.8N355P340-N355 WeakPolarHBondContact CB-ND2 3.36Å
341Y94.8Very high92.9Very high24 Ų2476.3 Ų76.39%0.09437%0.371CS..  trans-79.7139-175-71-89.1000113.6C337 E338 C349 C351 P362 I365C337-Y341 WeakPolarHBondContact CB-O 3.36Å; E338-Y341 VanDerWaalsContact O-CB 3.26Å; E338-Y341 WeakPolarHBondContact O-CB 3.29Å; E338-Y341 PolarHBondContact O-N 3.33Å; Y341-C349 HydrophobicContact CD1-CB 4.14Å; Y341-C349 HydrophobicContact CG-CB 4.38Å; Y341-C351 HydrophobicContact CD1-CB 3.95Å; Y341-C351 HydrophobicContact CE1-CB 3.68Å; Y341-P362 WeakPolarHBondContact CE1-O 3.23Å; Y341-P362 VanDerWaalsContact OH-CD 3.24Å; Y341-P362 WeakPolarHBondContact OH-CD 3.44Å; Y341-P362 PolarHBondContact OH-O 2.96Å; Y341-I365 HydrophobicContact CD1-CD1 4.18Å; Y341-I365 HydrophobicContact CD1-CG1 4.38Å; Y341-I365 HydrophobicContact CD2-CD1 4.2Å; Y341-I365 HydrophobicContact CE1-CD1 3.73Å; Y341-I365 HydrophobicContact CE1-CG1 3.8Å; Y341-I365 HydrophobicContact CE2-CD1 3.75Å; Y341-I365 HydrophobicContact CG-CD1 4.39Å
342L94.1Very high92.8Very high107 Ų10776.1 Ų76.156%0.5637%0.369SS*.EExtended strand (participates in β ladder)trans-104.3138.1173.1-57.8-178.7000110.7I344 C349 M350 P352L342-I344 PolarHBondContact O-N 2.93Å; L342-C349 CarbonylContact O-C 3.56Å; L342-C349 WeakPolarHBondContact O-CA 3.28Å; L342-M350 PolarHBondContact N-O 2.75Å; L342-M350 PolarHBondContact O-N 3.48Å; L342-P352 HydrophobicContact CD1-CG 3.62Å; L342-P352 HydrophobicContact CG-CG 4.05Å
343R94.2Very high92.5Very high122 Ų12279 Ų7946%0.4640%0.397SS..EExtended strand (participates in β ladder)trans-73.3120.4174.2-174.7174.1168.2-172.1-8.7109.7I335 C337 S345 D346I335-R343 HydrophobicContact CD1-CG 4.29Å; I335-R343 HydrophobicContact CG1-CG 4.35Å; C337-R343 WeakPolarHBondContact SG-CA 3.4Å; C337-R343 VanDerWaalsContact SG-CB 3.55Å; R343-S345 VanDerWaalsContact CG-O 3.26Å; R343-S345 WeakPolarHBondContact CG-O 3.39Å; R343-S345 PolarHBondContact NE-O 2.83Å; R343-D346 IonicContact CZ-OD1 3.8Å; R343-D346 IonicContact NH2-OD1 2.71Å; R343-D346 PolarHBondContact NH2-OD1 3.17Å
344I93.6Very high92.3Very high90 Ų9082 Ų8246%0.46241%0.407SS..EExtended strand (participates in β ladder)trans-102.1-34177.4-64.1-162.3000111.7L342 R348 M350L342-I344 PolarHBondContact O-N 2.93Å; I344-R348 PolarHBondContact N-O 2.03Å; I344-M350 HydrophobicContact CD1-CB 3.2Å; I344-M350 HydrophobicContact CD1-CG 3.76Å; I344-M350 HydrophobicContact CD1-SD 3.26Å; I344-M350 WeakPolarHBondContact CD1-SD 3.28Å; I344-M350 HydrophobicContact CG1-CB 3.76Å
345S91.7Very high92.2Very high45 Ų4582.5 Ų82.532%0.31541%0.407SS..EExtended strand (participates in β ladder)trans-147-180175.469.40000110.2R343 N347 R348R343-S345 VanDerWaalsContact CG-O 3.26Å; R343-S345 WeakPolarHBondContact CG-O 3.39Å; R343-S345 PolarHBondContact NE-O 2.83Å; S345-N347 PolarHBondContact O-N 3.31Å; S345-N347 VanDerWaalsContact O-N 3.12Å; S345-R348 PolarHBondContact N-O 3.44Å; S345-R348 PolarHBondContact O-N 3.34Å; S345-R348 VanDerWaalsContact OG-CB 3.25Å; S345-R348 WeakPolarHBondContact OG-CB 3.45Å
346D88.1Confident92.1Very high110 Ų11086.9 Ų86.959%0.58844%0.437SS*.THydrogen-bonded Turntrans-59.8-26.8-175.6-60.8-34.8000114.3I335 R343I335-D346 VanDerWaalsContact CD1-O 3.26Å; I335-D346 WeakPolarHBondContact CD1-O 3.29Å; I335-D346 WeakPolarHBondContact CG1-O 3.48Å; I335-D346 WeakPolarHBondContact CG2-O 3.35Å; R343-D346 IonicContact CZ-OD1 3.8Å; R343-D346 IonicContact NH2-OD1 2.71Å; R343-D346 PolarHBondContact NH2-OD1 3.17Å
347N92.6Very high91.9Very high61 Ų6178.4 Ų78.433%0.32642%0.418SS..THydrogen-bonded Turntrans-12514.5-177-67-14.8000112.8S345 L366 Y367 R368S345-N347 PolarHBondContact O-N 3.31Å; S345-N347 VanDerWaalsContact O-N 3.12Å; N347-L366 WeakPolarHBondContact O-CA 3.26Å; N347-L366 WeakPolarHBondContact O-CD1 3.48Å; N347-Y367 PolarHBondContact O-N 3.14Å; N347-R368 PolarHBondContact ND2-NH1 3.46Å
348R94.6Very high91.7Very high105 Ų10577.2 Ų77.240%0.39641%0.41SS..EExtended strand (participates in β ladder)trans-138.3127-175.3-168.6169.659.2-141.3-3113.1I344 S345 I365 L366I344-R348 PolarHBondContact N-O 2.03Å; S345-R348 PolarHBondContact N-O 3.44Å; S345-R348 PolarHBondContact O-N 3.34Å; S345-R348 VanDerWaalsContact OG-CB 3.25Å; S345-R348 WeakPolarHBondContact OG-CB 3.45Å; R348-I365 WeakPolarHBondContact CA-O 3.43Å; R348-L366 HydrophobicContact CB-CD1 4.4Å
349C96.3Very high91.5Very high1 Ų180.3 Ų80.31%0.00742%0.415CS..EExtended strand (participates in β ladder)trans-106.3146.8168.2-58.50000109.9C337 Y341 L342 T364 I365C337-C349 VanDerWaalsContact CA-SG 3.6Å; C337-C349 HydrophobicContact CB-CB 3.89Å; C337-C349 WeakPolarHBondContact CB-SG 3.01Å; C337-C349 WeakPolarHBondContact SG-CB 3.36Å; C337-C349 CovalentContact SG-SG 2.03Å; C337-C349 PolarHBondContact SG-SG 3.25Å; Y341-C349 HydrophobicContact CD1-CB 4.14Å; Y341-C349 HydrophobicContact CG-CB 4.38Å; L342-C349 CarbonylContact O-C 3.56Å; L342-C349 WeakPolarHBondContact O-CA 3.28Å; C349-T364 WeakPolarHBondContact O-CA 3.06Å; C349-I365 HydrophobicContact CB-CB 4.33Å; C349-I365 PolarHBondContact N-O 3.18Å; C349-I365 PolarHBondContact O-N 3.15Å
350M94.8Very high91.3Very high75 Ų7578 Ų7837%0.36941%0.409SS..EExtended strand (participates in β ladder)trans-133.5143.2176.6178.9172.2171.700110.8L342 I344 F363 T364L342-M350 PolarHBondContact N-O 2.75Å; L342-M350 PolarHBondContact O-N 3.48Å; I344-M350 HydrophobicContact CD1-CB 3.2Å; I344-M350 HydrophobicContact CD1-CG 3.76Å; I344-M350 HydrophobicContact CD1-SD 3.26Å; I344-M350 WeakPolarHBondContact CD1-SD 3.28Å; I344-M350 HydrophobicContact CG1-CB 3.76Å; M350-F363 WeakPolarHBondContact CA-O 3.4Å; M350-F363 WeakPolarHBondContact CG-O 3.03Å; M350-T364 HydrophobicContact CB-CG2 4.33Å; M350-T364 HydrophobicContact CG-CG2 4.21Å
351C94.7Very high91.2Very high1 Ų180.8 Ų80.81%0.00742%0.419CS..  trans-95.4116173-135.70000108.9Y341 C358 F363Y341-C351 HydrophobicContact CD1-CB 3.95Å; Y341-C351 HydrophobicContact CE1-CB 3.68Å; C351-C358 VanDerWaalsContact C-SG 3.59Å; C351-C358 WeakPolarHBondContact CA-SG 3.45Å; C351-C358 HydrophobicContact CB-CB 3.66Å; C351-C358 WeakPolarHBondContact CB-SG 3.48Å; C351-C358 WeakPolarHBondContact SG-CA 3.44Å; C351-C358 WeakPolarHBondContact SG-CB 3.42Å; C351-C358 CovalentContact SG-SG 2.02Å; C351-C358 PolarHBondContact SG-SG 2.79Å; C351-F363 PolarHBondContact N-O 3.08Å
352P91.8Very high91.2Very high25 Ų2580 Ų8016%0.16242%0.417CS..  trans-66.1139.4178.2-19.132.3000111.6L342 E354 N355 C358L342-P352 HydrophobicContact CD1-CG 3.62Å; L342-P352 HydrophobicContact CG-CG 4.05Å; P352-E354 WeakPolarHBondContact CB-OE2 3.04Å; P352-E354 PolarHBondContact O-N 3.1Å; P352-N355 HydrophobicContact CB-CB 4.49Å; P352-N355 PolarHBondContact O-N 3.43Å; P352-C358 VanDerWaalsContact O-CB 3.31Å; P352-C358 WeakPolarHBondContact O-CB 3.02Å; P352-C358 PolarHBondContact O-SG 2.83Å; P352-C358 VanDerWaalsContact O-SG 3.39Å
353A85.7Confident91.1Very high85 Ų8578 Ų7870%0.70240%0.404SS*.THydrogen-bonded Turntrans-67-24.4-178.700000112.7N355A353-N355 VanDerWaalsContact C-N 3.29Å
354E87.9Confident91Very high163 Ų16374 Ų7476%0.76239%0.393SS*.THydrogen-bonded Turntrans-75.8-17.4179-53.479.4-170.100112.8P352 P356P352-E354 WeakPolarHBondContact CB-OE2 3.04Å; P352-E354 PolarHBondContact O-N 3.1Å; E354-P356 WeakPolarHBondContact O-CD 3.01Å
355N89.3Confident91.1Very high63 Ų6370.6 Ų70.634%0.33738%0.375SS..  trans-85.1119.6-178.1-171.5-26.4000110.3P340 P352 A353 G357 C358P340-N355 WeakPolarHBondContact CB-ND2 3.36Å; P352-N355 HydrophobicContact CB-CB 4.49Å; P352-N355 PolarHBondContact O-N 3.43Å; A353-N355 VanDerWaalsContact C-N 3.29Å; N355-G357 PolarHBondContact O-N 3.38Å; N355-G357 VanDerWaalsContact O-N 3.14Å; N355-G357 PolarHBondContact OD1-N 3.32Å; N355-C358 HydrophobicContact CB-CB 4.44Å; N355-C358 WeakPolarHBondContact O-CB 3.47Å; N355-C358 PolarHBondContact O-N 3.13Å
356P88.6Confident91.3Very high116 Ų11670.4 Ų70.475%0.75337%0.371SS*.G310 helixtrans-57.7-30.2179.4-2433.7000113.8E354 C358 R359E354-P356 WeakPolarHBondContact O-CD 3.01Å; P356-C358 PolarHBondContact O-N 3.39Å; P356-R359 PolarHBondContact O-N 3.37Å
357G88.9Confident91.6Very high41 Ų4166.3 Ų66.342%0.42335%0.347SS..G310 helixtrans-66.1-14.4176.700000114N355 Q361N355-G357 PolarHBondContact O-N 3.38Å; N355-G357 VanDerWaalsContact O-N 3.14Å; N355-G357 PolarHBondContact OD1-N 3.32Å; G357-Q361 VanDerWaalsContact O-CG 3.25Å; G357-Q361 WeakPolarHBondContact O-CG 2.98Å
358C89.8Confident91.7Very high6 Ų668.5 Ų68.54%0.04135%0.351CS..G310 helixtrans-91.6-7.2-179.1-68.90000114.4C351 P352 N355 P356 D360 Q361C351-C358 VanDerWaalsContact C-SG 3.59Å; C351-C358 WeakPolarHBondContact CA-SG 3.45Å; C351-C358 HydrophobicContact CB-CB 3.66Å; C351-C358 WeakPolarHBondContact CB-SG 3.48Å; C351-C358 WeakPolarHBondContact SG-CA 3.44Å; C351-C358 WeakPolarHBondContact SG-CB 3.42Å; C351-C358 CovalentContact SG-SG 2.02Å; C351-C358 PolarHBondContact SG-SG 2.79Å; P352-C358 VanDerWaalsContact O-CB 3.31Å; P352-C358 WeakPolarHBondContact O-CB 3.02Å; P352-C358 PolarHBondContact O-SG 2.83Å; P352-C358 VanDerWaalsContact O-SG 3.39Å; N355-C358 HydrophobicContact CB-CB 4.44Å; N355-C358 WeakPolarHBondContact O-CB 3.47Å; N355-C358 PolarHBondContact O-N 3.13Å; P356-C358 PolarHBondContact O-N 3.39Å; C358-D360 VanDerWaalsContact C-N 3.3Å; C358-D360 PolarHBondContact O-N 3.49Å; C358-Q361 PolarHBondContact O-N 3.41Å; C358-Q361 VanDerWaalsContact O-N 3.16Å
359R86.1Confident91.6Very high219 Ų21965 Ų6583%0.82634%0.34SS*.THydrogen-bonded Turntrans-56.1-41.2-170.5-173.8178.2-177.8177.80.6113.8P356P356-R359 PolarHBondContact O-N 3.37Å
360D86.8Confident91.5Very high147 Ų14766.2 Ų66.279%0.78635%0.346SS*.THydrogen-bonded Turntrans-110.911.2-178.3-59.4-49000112.6C358C358-D360 VanDerWaalsContact C-N 3.3Å; C358-D360 PolarHBondContact O-N 3.49Å
361Q91.7Very high91.4Very high91 Ų9165.5 Ų65.543%0.42534%0.343SS..SBendtrans-99.1152.5-178.9-64.9-60.9-22.800111.2G357 C358 F363G357-Q361 VanDerWaalsContact O-CG 3.25Å; G357-Q361 WeakPolarHBondContact O-CG 2.98Å; C358-Q361 PolarHBondContact O-N 3.41Å; C358-Q361 VanDerWaalsContact O-N 3.16Å; Q361-F363 PolarHBondContact O-N 3.19Å
362P93.3Very high91.3Very high7 Ų765.9 Ų65.95%0.04535%0.346CS..  trans-53.9134.6169.5-24.430.5000111.5Y341 T364 S451 V453Y341-P362 WeakPolarHBondContact CE1-O 3.23Å; Y341-P362 VanDerWaalsContact OH-CD 3.24Å; Y341-P362 WeakPolarHBondContact OH-CD 3.44Å; Y341-P362 PolarHBondContact OH-O 2.96Å; P362-T364 VanDerWaalsContact C-N 3.28Å; P362-T364 PolarHBondContact O-N 2.71Å; P362-S451 CarbonylContact C-O 3.58Å; P362-S451 VanDerWaalsContact CA-O 3.29Å; P362-S451 WeakPolarHBondContact CA-O 3.39Å; P362-V453 HydrophobicContact CB-CB 4.43Å; P362-V453 HydrophobicContact CB-CG2 3.84Å; P362-V453 HydrophobicContact CG-CG2 3.61Å
363F92.2Very high91.3Very high66 Ų6666 Ų6629%0.28935%0.346SS..SBendtrans-61.6-37.8179.7-75.9-65.1000112.4M350 C351 Q361 F448 S451M350-F363 WeakPolarHBondContact CA-O 3.4Å; M350-F363 WeakPolarHBondContact CG-O 3.03Å; C351-F363 PolarHBondContact N-O 3.08Å; Q361-F363 PolarHBondContact O-N 3.19Å; F363-F448 HydrophobicContact CD2-CZ 4.24Å; F363-F448 HydrophobicContact CE2-CE1 4.43Å; F363-F448 AromaticContact CE2-CE2 3.87Å; F363-F448 HydrophobicContact CE2-CE2 3.87Å; F363-F448 AromaticContact CE2-CZ 3.43Å; F363-F448 HydrophobicContact CE2-CZ 3.43Å; F363-F448 VanDerWaalsContact CE2-CZ 3.43Å; F363-F448 AromaticContact CZ-CE2 3.85Å; F363-F448 HydrophobicContact CZ-CE2 3.85Å; F363-F448 AromaticContact CZ-CZ 3.88Å; F363-F448 HydrophobicContact CZ-CZ 3.88Å; F363-S451 PolarHBondContact N-O 3.29Å
364T93.2Very high91.7Very high38 Ų3862.3 Ų62.323%0.23332%0.315CS..EExtended strand (participates in β ladder)trans-138.6144.7179.658.90000111C349 M350 P362 S452 V453C349-T364 WeakPolarHBondContact O-CA 3.06Å; M350-T364 HydrophobicContact CB-CG2 4.33Å; M350-T364 HydrophobicContact CG-CG2 4.21Å; P362-T364 VanDerWaalsContact C-N 3.28Å; P362-T364 PolarHBondContact O-N 2.71Å; T364-S452 WeakPolarHBondContact O-CA 3.28Å; T364-S452 VanDerWaalsContact OG1-CB 3.31Å; T364-S452 WeakPolarHBondContact OG1-CB 3.26Å; T364-S452 PolarHBondContact OG1-OG 3.46Å; T364-V453 PolarHBondContact O-N 2.85Å
365I95.5Very high91.9Very high17 Ų1756.3 Ų56.39%0.08730%0.297CS..EExtended strand (participates in β ladder)trans-119118.6168.9-56.6175.2000107.3Y341 R348 C349 Y367 V453 R455Y341-I365 HydrophobicContact CD1-CD1 4.18Å; Y341-I365 HydrophobicContact CD1-CG1 4.38Å; Y341-I365 HydrophobicContact CD2-CD1 4.2Å; Y341-I365 HydrophobicContact CE1-CD1 3.73Å; Y341-I365 HydrophobicContact CE1-CG1 3.8Å; Y341-I365 HydrophobicContact CE2-CD1 3.75Å; Y341-I365 HydrophobicContact CG-CD1 4.39Å; R348-I365 WeakPolarHBondContact CA-O 3.43Å; C349-I365 HydrophobicContact CB-CB 4.33Å; C349-I365 PolarHBondContact N-O 3.18Å; C349-I365 PolarHBondContact O-N 3.15Å; I365-Y367 HydrophobicContact CB-CE2 4.33Å; I365-Y367 HydrophobicContact CG2-CD2 4.26Å; I365-Y367 HydrophobicContact CG2-CE2 3.67Å; I365-V453 CarbonylContact C-O 3.44Å; I365-V453 VanDerWaalsContact CA-O 3.29Å; I365-V453 WeakPolarHBondContact CA-O 3.25Å; I365-R455 HydrophobicContact CG2-CB 4.37Å
366L95Very high92Very high41 Ų4158.8 Ų58.822%0.21530%0.302CS..EExtended strand (participates in β ladder)trans-104.9125.2176.4-179.572.7000109.3N347 R348 R368 V453 I454 R455N347-L366 WeakPolarHBondContact O-CA 3.26Å; N347-L366 WeakPolarHBondContact O-CD1 3.48Å; R348-L366 HydrophobicContact CB-CD1 4.4Å; L366-R368 HydrophobicContact CD2-CG 4.22Å; L366-R368 HydrophobicContact CG-CG 4.25Å; L366-V453 PolarHBondContact N-O 2.73Å; L366-I454 HydrophobicContact CB-CG1 4.21Å; L366-I454 HydrophobicContact CD2-CD1 4.11Å; L366-I454 HydrophobicContact CD2-CG1 4.12Å; L366-I454 CarbonylContact O-C 3.52Å; L366-I454 VanDerWaalsContact O-CA 3.28Å; L366-I454 WeakPolarHBondContact O-CA 3.2Å; L366-R455 PolarHBondContact O-N 3.31Å
367Y95.3Very high92.2Very high24 Ų2458.1 Ų58.19%0.09430%0.3CS..EExtended strand (participates in β ladder)trans-92.5129.7176.4-66-99.7000109.4I335 N347 I365 R455I335-Y367 HydrophobicContact CB-CD2 4.39Å; I335-Y367 HydrophobicContact CD1-CD2 3.97Å; I335-Y367 HydrophobicContact CD1-CE2 4.24Å; I335-Y367 HydrophobicContact CG2-CD1 4.27Å; I335-Y367 HydrophobicContact CG2-CD2 4.03Å; I335-Y367 HydrophobicContact CG2-CG 3.86Å; N347-Y367 PolarHBondContact O-N 3.14Å; I365-Y367 HydrophobicContact CB-CE2 4.33Å; I365-Y367 HydrophobicContact CG2-CD2 4.26Å; I365-Y367 HydrophobicContact CG2-CE2 3.67Å; Y367-R455 HydrophobicContact CD1-CB 4.22Å; Y367-R455 HydrophobicContact CD1-CG 4.27Å; Y367-R455 HydrophobicContact CE1-CB 4.38Å; Y367-R455 HydrophobicContact CE1-CG 4.32Å
368R94.4Very high92.5Very high107 Ų10758.5 Ų58.540%0.40429%0.294SS..EExtended strand (participates in β ladder)trans-137.9143.2175.6-72.4-62-178.1-147.17.4110.3N347 L366 F383 I454 R455 L456 R457N347-R368 PolarHBondContact ND2-NH1 3.46Å; L366-R368 HydrophobicContact CD2-CG 4.22Å; L366-R368 HydrophobicContact CG-CG 4.25Å; R368-F383 HydrophobicContact CG-CZ 4.47Å; R368-I454 HydrophobicContact CB-CG2 4.35Å; R368-I454 HydrophobicContact CG-CG2 4.23Å; R368-R455 PolarHBondContact N-O 3.11Å; R368-L456 HydrophobicContact CB-CD1 3.79Å; R368-L456 CarbonylContact O-C 3.54Å; R368-L456 WeakPolarHBondContact O-CA 3.49Å; R368-R457 PolarHBondContact O-N 3.09Å
369D93.4Very high92.7Very high33 Ų3363.3 Ų63.318%0.17633%0.325CS..EExtended strand (participates in β ladder)trans-118.7139177.1-67.3-81.8000107.5Y323 I332 R457 Y459Y323-D369 HydrophobicContact CE1-CB 4.35Å; Y323-D369 HydrophobicContact CE2-CB 4.2Å; Y323-D369 PolarHBondContact OH-O 3.41Å; I332-D369 HydrophobicContact CD1-CB 4.03Å; D369-R457 CarbonylContact C-O 3.53Å; D369-R457 WeakPolarHBondContact CA-O 3.46Å; D369-R457 WeakPolarHBondContact OD1-CB 3.47Å; D369-Y459 HydrophobicContact CB-CE2 3.94Å; D369-Y459 WeakPolarHBondContact OD1-CE2 3.34Å; D369-Y459 PolarHBondContact OD1-OH 2.94Å
370M93.3Very high93.1Very high26 Ų2653.4 Ų53.413%0.12829%0.29CS..EExtended strand (participates in β ladder)trans-148.1158.1174.368.6171.6-60.400110.6Y323 V372 I382 F383 L456 R457 I458 Y459Y323-M370 WeakPolarHBondContact OH-CA 3.46Å; M370-V372 HydrophobicContact CE-CG2 3.79Å; M370-I382 HydrophobicContact CE-CB 4.16Å; M370-I382 VanDerWaalsContact CE-O 3.25Å; M370-I382 WeakPolarHBondContact CE-O 3.2Å; M370-F383 HydrophobicContact SD-CB 4.3Å; M370-F383 HydrophobicContact SD-CD2 4.34Å; M370-L456 HydrophobicContact CB-CD1 4.46Å; M370-L456 HydrophobicContact CG-CD1 3.87Å; M370-L456 HydrophobicContact CG-CG 4.34Å; M370-L456 HydrophobicContact SD-CD1 3.99Å; M370-L456 HydrophobicContact SD-CD2 3.86Å; M370-L456 HydrophobicContact SD-CG 4.24Å; M370-R457 PolarHBondContact N-O 3.09Å; M370-I458 HydrophobicContact CG-CB 4.28Å; M370-I458 HydrophobicContact CG-CG1 3.83Å; M370-I458 HydrophobicContact CG-CG2 4.27Å; M370-I458 CarbonylContact O-C 3.48Å; M370-I458 WeakPolarHBondContact O-CA 2.98Å; M370-I458 HydrophobicContact SD-CD1 4.26Å; M370-I458 HydrophobicContact SD-CG1 3.99Å; M370-Y459 WeakPolarHBondContact O-CD2 3.37Å; M370-Y459 PolarHBondContact O-N 3.33Å
371D92.6Very high93.6Very high59 Ų5950.6 Ų50.632%0.31628%0.275SS..EExtended strand (participates in β ladder)trans-113.4150.7175.365.7-59.1000111.8L325 Q326 Y459L325-D371 HydrophobicContact CD2-CB 3.85Å; Q326-D371 WeakPolarHBondContact CG-OD2 3.48Å; D371-Y459 CarbonylContact C-O 3.59Å; D371-Y459 VanDerWaalsContact CA-O 3.28Å; D371-Y459 WeakPolarHBondContact CA-O 3.04Å
372V92.9Very high93.7Very high9 Ų947.4 Ų47.46%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-139.8138.5175.3-178.90000109.5M370 R376 M423 I458 Y459 V460 S461M370-V372 HydrophobicContact CE-CG2 3.79Å; V372-R376 HydrophobicContact CG1-CB 4.19Å; V372-M423 HydrophobicContact CG1-CE 3.92Å; V372-I458 HydrophobicContact CB-CG2 4.25Å; V372-I458 HydrophobicContact CG2-CG2 3.66Å; V372-Y459 PolarHBondContact N-O 2.04Å; V372-V460 VanDerWaalsContact O-CA 3.29Å; V372-V460 WeakPolarHBondContact O-CA 3.42Å; V372-S461 PolarHBondContact O-N 3.01Å
373V92.2Very high93.8Very high27 Ų2749.2 Ų49.216%0.16427%0.267CS..  trans-69138.1177.1-177.70000111.4G375 R376 S461 F465V373-G375 PolarHBondContact O-N 3.11Å; V373-R376 WeakPolarHBondContact O-CB 3.49Å; V373-R376 PolarHBondContact O-N 2.7Å; V373-S461 WeakPolarHBondContact CA-OG 3.39Å; V373-F465 HydrophobicContact CG1-CB 4.04Å; V373-F465 HydrophobicContact CG1-CD2 4.39Å
374S93.5Very high93.9Very high9 Ų951.4 Ų51.46%0.06328%0.279CS..THydrogen-bonded Turntrans-53.7130.9174.7-160.80000111.2R376 G429 S461 Y463 P464S374-R376 PolarHBondContact O-N 2.97Å; S374-G429 PolarHBondContact OG-N 3.44Å; S374-S461 VanDerWaalsContact CB-O 3.28Å; S374-S461 WeakPolarHBondContact CB-O 3.04Å; S374-S461 PolarHBondContact N-OG 3.02Å; S374-Y463 WeakPolarHBondContact CB-O 3.03Å; S374-P464 WeakPolarHBondContact O-CA 3.47Å; S374-P464 WeakPolarHBondContact O-CB 3.25Å
375G91.4Very high94Very high37 Ų3749.9 Ų49.938%0.38127%0.269SS..THydrogen-bonded Turntrans68.517175.800000114.8V373 S377 I427V373-G375 PolarHBondContact O-N 3.11Å; G375-S377 PolarHBondContact O-N 3.03Å; G375-I427 PolarHBondContact N-O 3.23Å
376R92.7Very high93.8Very high115 Ų11554.9 Ų54.943%0.43429%0.292SS..  trans-45.3135.6177.1-176.2175.2-173.586.4-2.6112V372 V373 S374 V378V372-R376 HydrophobicContact CG1-CB 4.19Å; V373-R376 WeakPolarHBondContact O-CB 3.49Å; V373-R376 PolarHBondContact O-N 2.7Å; S374-R376 PolarHBondContact O-N 2.97Å; R376-V378 PolarHBondContact O-N 2.77Å
377S93.1Very high93.4Very high101 Ų10153.2 Ų53.271%0.70628%0.284SS*.  trans-58.3133.7176.9620000111.7G375G375-S377 PolarHBondContact O-N 3.03Å
378V93.7Very high92.6Very high50 Ų5058.9 Ų58.930%0.30332%0.321SS..SBendtrans-116.8153.5-179.9-67.80000111.4R376 M423 T424R376-V378 PolarHBondContact O-N 2.77Å; V378-M423 HydrophobicContact CG1-CB 4.33Å; V378-M423 HydrophobicContact CG1-CG 3.75Å; V378-M423 HydrophobicContact CG1-SD 3.99Å; V378-T424 WeakPolarHBondContact CG2-O 3.39Å
379P94.4Very high91.5Very high107 Ų10757.1 Ų57.170%0.69532%0.322SS*.SBendcis-73.7140.91.330.5-34.8000113.1V422 M423P379-V422 HydrophobicContact CB-CG1 4.18Å; P379-M423 WeakPolarHBondContact CA-O 3.4Å
380A95.3Very high90.4Very high10 Ų1065.1 Ų65.18%0.08335%0.35CS..EExtended strand (participates in β ladder)trans-129.7128.8179.700000111.9I382 V422 M423A380-I382 HydrophobicContact CB-CG2 4.13Å; A380-I382 PolarHBondContact O-N 3.25Å; A380-V422 CarbonylContact O-C 3.57Å; A380-V422 WeakPolarHBondContact O-CA 3.36Å; A380-M423 HydrophobicContact CB-CB 4.48Å; A380-M423 PolarHBondContact N-O 2.03Å; A380-M423 PolarHBondContact O-N 3.4Å
381D95.7Very high89.5Confident88 Ų8869.5 Ų69.547%0.47137%0.366SS..EExtended strand (participates in β ladder)trans-77.6115.7169.3-68.5-3000108.2R412 T420 V422D381-R412 VanDerWaalsContact CG-NH2 3.28Å; D381-R412 IonicContact OD1-CZ 3.65Å; D381-R412 IonicContact OD1-NH1 2.74Å; D381-R412 PolarHBondContact OD1-NH1 3.42Å; D381-R412 IonicContact OD1-NH2 3.66Å; D381-R412 PolarHBondContact OD1-NH2 3.28Å; D381-R412 VanDerWaalsContact OD1-NH2 3.1Å; D381-R412 IonicContact OD2-CZ 2.89Å; D381-R412 IonicContact OD2-NH2 3.33Å; D381-R412 PolarHBondContact OD2-NH2 3.34Å; D381-T420 HydrophobicContact CB-CG2 3.65Å; D381-V422 WeakPolarHBondContact OD1-CG2 3.35Å
382I94.7Very high88.8Confident25 Ų2572.2 Ų72.213%0.12839%0.387CS..EExtended strand (participates in β ladder)trans-116.8-22.8-169.558.5161.9000114.2M370 A380 F409 L421 M423 I458M370-I382 HydrophobicContact CE-CB 4.16Å; M370-I382 VanDerWaalsContact CE-O 3.25Å; M370-I382 WeakPolarHBondContact CE-O 3.2Å; A380-I382 HydrophobicContact CB-CG2 4.13Å; A380-I382 PolarHBondContact O-N 3.25Å; I382-F409 HydrophobicContact CD1-CD1 3.78Å; I382-F409 HydrophobicContact CD1-CE1 3.51Å; I382-L421 HydrophobicContact CD1-CD2 3.83Å; I382-L421 HydrophobicContact CD1-CG 4.22Å; I382-L421 HydrophobicContact CG1-CB 4.34Å; I382-L421 HydrophobicContact CG1-CD2 4.1Å; I382-L421 HydrophobicContact CG1-CG 4.15Å; I382-L421 WeakPolarHBondContact CG1-O 3.21Å; I382-L421 PolarHBondContact N-O 3.16Å; I382-M423 HydrophobicContact CD1-CB 4.34Å; I382-M423 HydrophobicContact CD1-CE 4.37Å; I382-M423 HydrophobicContact CG2-CB 4.21Å; I382-I458 HydrophobicContact CD1-CD1 4.06Å
383F95.9Very high88.2Confident44 Ų4474.2 Ų74.219%0.19341%0.409CS..EExtended strand (participates in β ladder)trans-153.8137.4179.8-172.7-97.2000110.6R368 M370 M385 T420 L421 L437 I454 L456R368-F383 HydrophobicContact CG-CZ 4.47Å; M370-F383 HydrophobicContact SD-CB 4.3Å; M370-F383 HydrophobicContact SD-CD2 4.34Å; F383-M385 HydrophobicContact CD1-CG 4.02Å; F383-M385 HydrophobicContact CE1-CG 3.76Å; F383-T420 CarbonylContact O-C 3.53Å; F383-T420 WeakPolarHBondContact O-CA 3.29Å; F383-L421 HydrophobicContact CB-CB 4.02Å; F383-L421 HydrophobicContact CB-CD2 4.26Å; F383-L421 PolarHBondContact O-N 3.36Å; F383-L437 HydrophobicContact CD1-CD1 3.89Å; F383-L437 HydrophobicContact CE1-CD1 4.13Å; F383-I454 HydrophobicContact CE1-CD1 4.06Å; F383-I454 HydrophobicContact CE1-CG2 4.34Å; F383-I454 HydrophobicContact CZ-CD1 4.29Å; F383-I454 HydrophobicContact CZ-CG2 4.2Å; F383-L456 HydrophobicContact CB-CD2 4.09Å; F383-L456 HydrophobicContact CD1-CD2 4.21Å; F383-L456 HydrophobicContact CD2-CD1 3.98Å; F383-L456 HydrophobicContact CD2-CD2 4.13Å; F383-L456 HydrophobicContact CE2-CD1 3.93Å; F383-L456 HydrophobicContact CG-CD2 3.89Å; F383-L456 HydrophobicContact CZ-CD1 4.45Å
384Q94.6Very high87.8Confident113 Ų11373.9 Ų73.953%0.52841%0.409SS..EExtended strand (participates in β ladder)trans-114.9127.3177-168.6174.835.400111
385M93.6Very high87.6Confident5 Ų579.1 Ų79.13%0.02543%0.429CS..EExtended strand (participates in β ladder)trans-96.9138.8170.9-62.2179.877.500109.7F383 F398 M411 S418 A419 L437 M439 I454F383-M385 HydrophobicContact CD1-CG 4.02Å; F383-M385 HydrophobicContact CE1-CG 3.76Å; M385-F398 HydrophobicContact CB-CD1 4.15Å; M385-F398 HydrophobicContact CB-CE1 4.21Å; M385-F398 HydrophobicContact CE-CD1 4.49Å; M385-F398 HydrophobicContact SD-CD1 4.4Å; M385-M411 HydrophobicContact SD-SD 4.22Å; M385-S418 CarbonylContact O-C 3.33Å; M385-S418 WeakPolarHBondContact O-CA 3.37Å; M385-S418 WeakPolarHBondContact O-CB 3.41Å; M385-A419 PolarHBondContact N-O 3.13Å; M385-A419 PolarHBondContact O-N 3Å; M385-L437 HydrophobicContact CE-CB 3.73Å; M385-L437 HydrophobicContact CG-CD1 4.27Å; M385-L437 HydrophobicContact SD-CB 3.49Å; M385-L437 WeakPolarHBondContact SD-CB 3.07Å; M385-L437 HydrophobicContact SD-CD1 3.77Å; M385-L437 HydrophobicContact SD-CG 4.25Å; M385-M439 HydrophobicContact CE-CB 4.28Å; M385-I454 HydrophobicContact CE-CB 4.35Å; M385-I454 HydrophobicContact CE-CD1 3.7Å; M385-I454 HydrophobicContact CE-CG1 3.89Å; M385-I454 HydrophobicContact CG-CD1 4.07Å
386Q91.8Very high87.7Confident123 Ų12377.8 Ų77.858%0.57541%0.412SS*.EExtended strand (participates in β ladder)trans-143135.8175.4-173.4173.81.400111I417Q386-I417 CarbonylContact C-O 3.47Å; Q386-I417 WeakPolarHBondContact CA-O 3.02Å; Q386-I417 HydrophobicContact CG-CD1 4.29Å; Q386-I417 HydrophobicContact CG-CG1 4.39Å
387A87.5Confident87.6Confident5 Ų575.5 Ų75.54%0.04141%0.408CS..  trans-72.9128.9171.700000110.1Y396 I417 M439A387-Y396 HydrophobicContact CB-CD1 3.83Å; A387-Y396 HydrophobicContact CB-CD2 4.47Å; A387-Y396 HydrophobicContact CB-CE1 3.77Å; A387-Y396 HydrophobicContact CB-CE2 4.44Å; A387-Y396 HydrophobicContact CB-CG 4.21Å; A387-I417 HydrophobicContact CB-CB 4.22Å; A387-I417 PolarHBondContact N-O 3.37Å; A387-M439 HydrophobicContact CB-CE 4.35Å; A387-M439 HydrophobicContact CB-SD 3.69Å
388T77.4Confident87.7Confident143 Ų14371.7 Ų71.788%0.87738%0.379SS*.SBendtrans-78.8-27.6-17850.20000113.4
389T72.4Confident87.8Confident70 Ų7073.1 Ų73.143%0.42938%0.382SS..  trans-116.6125.4-17741.50000109.6Y396T389-Y396 PolarHBondContact O-OH 2.97Å
390R70.2Confident87.9Confident201 Ų20169.9 Ų69.976%0.75836%0.358SS*.  trans-98.897.6173.8-169.9179.6-173.2-165.71.8109.6
391Y74.4Confident87.9Confident119 Ų11974 Ų7447%0.46738%0.375SS..  trans-75.6130.5169.3-62.1-76.8000110.2G393 A394 Y396Y391-G393 PolarHBondContact O-N 2.94Å; Y391-A394 WeakPolarHBondContact O-CB 3.36Å; Y391-A394 PolarHBondContact O-N 2.79Å; Y391-A394 VanDerWaalsContact O-N 3.1Å; Y391-Y396 PolarHBondContact N-OH 3.48Å
392P77.8Confident87.8Confident115 Ų11572.3 Ų72.375%0.74737%0.37SS*.THydrogen-bonded Turntrans-55.8130.3171.4-23.233.3000110.6A394 N443P392-A394 VanDerWaalsContact C-N 3.26Å; P392-A394 PolarHBondContact O-N 3.41Å; P392-N443 PolarHBondContact O-ND2 3.39Å
393G78.9Confident87.7Confident51 Ų5171.6 Ų71.653%0.52637%0.368SS..THydrogen-bonded Turntrans76.81.3-178.600000115.7Y391Y391-G393 PolarHBondContact O-N 2.94Å
394A85.8Confident87.6Confident20 Ų2071.2 Ų71.217%0.16537%0.368CS..EExtended strand (participates in β ladder)trans-89.4142173.200000112.3Y391 P392 T441 V442 N443Y391-A394 WeakPolarHBondContact O-CB 3.36Å; Y391-A394 PolarHBondContact O-N 2.79Å; Y391-A394 VanDerWaalsContact O-N 3.1Å; P392-A394 VanDerWaalsContact C-N 3.26Å; P392-A394 PolarHBondContact O-N 3.41Å; A394-T441 HydrophobicContact CB-CG2 4.42Å; A394-V442 CarbonylContact C-O 3.56Å; A394-V442 WeakPolarHBondContact CA-O 3.05Å; A394-N443 HydrophobicContact CB-CB 4Å
395Y89.3Confident87.3Confident120 Ų12073.2 Ų73.247%0.47138%0.378SS..EExtended strand (participates in β ladder)trans-120.4155.5167.967-87.9000110.3I397 V442 T444Y395-I397 HydrophobicContact CD2-CG1 4.22Å; Y395-I397 HydrophobicContact CE2-CD1 3.99Å; Y395-I397 HydrophobicContact CE2-CG1 4.06Å; Y395-V442 HydrophobicContact CD1-CB 4.25Å; Y395-V442 HydrophobicContact CD2-CB 4.43Å; Y395-V442 HydrophobicContact CE1-CB 3.74Å; Y395-V442 HydrophobicContact CE1-CG1 3.7Å; Y395-V442 HydrophobicContact CE2-CB 3.94Å; Y395-V442 HydrophobicContact CE2-CG2 4.07Å; Y395-V442 PolarHBondContact N-O 2.04Å; Y395-V442 PolarHBondContact O-N 2.04Å; Y395-T444 HydrophobicContact CE1-CG2 4.33Å
396Y91.8Very high86.8Confident8 Ų874.5 Ų74.53%0.03139%0.392CS..EExtended strand (participates in β ladder)trans-120.3132.1-173-53.1-89.9000109.5A387 T389 Y391 P416 I417 M439 I440 T441A387-Y396 HydrophobicContact CB-CD1 3.83Å; A387-Y396 HydrophobicContact CB-CD2 4.47Å; A387-Y396 HydrophobicContact CB-CE1 3.77Å; A387-Y396 HydrophobicContact CB-CE2 4.44Å; A387-Y396 HydrophobicContact CB-CG 4.21Å; T389-Y396 PolarHBondContact O-OH 2.97Å; Y391-Y396 PolarHBondContact N-OH 3.48Å; Y396-P416 WeakPolarHBondContact CD2-O 3.42Å; Y396-I417 HydrophobicContact CD2-CB 4.4Å; Y396-I417 HydrophobicContact CD2-CG2 3.87Å; Y396-I417 HydrophobicContact CE2-CG2 3.71Å; Y396-M439 HydrophobicContact CD1-CG 4.44Å; Y396-M439 HydrophobicContact CD1-SD 4.19Å; Y396-I440 CarbonylContact C-O 3.58Å; Y396-I440 WeakPolarHBondContact CA-O 3.39Å; Y396-T441 HydrophobicContact CD1-CG2 4.12Å; Y396-T441 HydrophobicContact CE1-CG2 3.65Å
397I92.3Very high86.7Confident67 Ų6777.9 Ų77.934%0.34440%0.4SS..EExtended strand (participates in β ladder)trans-109.3131.7173.7-55.3164.6000107.3Y395 M439 I440Y395-I397 HydrophobicContact CD2-CG1 4.22Å; Y395-I397 HydrophobicContact CE2-CD1 3.99Å; Y395-I397 HydrophobicContact CE2-CG1 4.06Å; I397-M439 CarbonylContact O-C 3.49Å; I397-M439 WeakPolarHBondContact O-CA 3.46Å; I397-I440 HydrophobicContact CB-CB 4.22Å; I397-I440 PolarHBondContact N-O 3.43Å; I397-I440 PolarHBondContact O-N 3.46Å
398F95Very high87Confident22 Ų2278.9 Ų78.910%0.09640%0.403CS..EExtended strand (participates in β ladder)trans-116.1129.3179.2-58.2-90.4000109.2M385 M411 A419 E438 M439M385-F398 HydrophobicContact CB-CD1 4.15Å; M385-F398 HydrophobicContact CB-CE1 4.21Å; M385-F398 HydrophobicContact CE-CD1 4.49Å; M385-F398 HydrophobicContact SD-CD1 4.4Å; F398-M411 HydrophobicContact CB-CG 3.95Å; F398-A419 HydrophobicContact CB-CB 3.46Å; F398-A419 VanDerWaalsContact CB-CB 3.46Å; F398-A419 HydrophobicContact CD1-CB 3.92Å; F398-A419 HydrophobicContact CD2-CB 3.63Å; F398-A419 HydrophobicContact CE2-CB 4.33Å; F398-A419 HydrophobicContact CG-CB 3.38Å; F398-E438 WeakPolarHBondContact CA-O 3Å; F398-M439 HydrophobicContact CD1-CB 4.07Å; F398-M439 HydrophobicContact CD1-CG 3.94Å; F398-M439 HydrophobicContact CE1-CB 4.08Å; F398-M439 HydrophobicContact CE1-CG 3.53Å; F398-M439 HydrophobicContact CE1-SD 3.65Å; F398-M439 HydrophobicContact CZ-CG 4.14Å; F398-M439 HydrophobicContact CZ-SD 4.13Å
399Q95Very high87.9Confident79 Ų7972.3 Ų72.337%0.36936%0.363SS..EExtended strand (participates in β ladder)trans-147159-179.764.9-177.69.500111.9E438Q399-E438 HydrophobicContact CG-CB 4.07Å; Q399-E438 PolarHBondContact N-O 2.84Å; Q399-E438 PolarHBondContact NE2-OE2 3.3Å; Q399-E438 PolarHBondContact O-N 2.88Å
400I96.2Very high89Confident39 Ų3973.5 Ų73.520%0.236%0.36CS..EExtended strand (participates in β ladder)trans-87116.8168.5-54.3172.4000107N404 F409 M411 L421 L435 L437I400-N404 HydrophobicContact CD1-CB 4.39Å; I400-N404 HydrophobicContact CG2-CB 3.81Å; I400-F409 HydrophobicContact CD1-CB 3.92Å; I400-M411 HydrophobicContact CG1-CB 4.3Å; I400-M411 HydrophobicContact CG1-SD 4.47Å; I400-L421 HydrophobicContact CD1-CD1 3.86Å; I400-L421 HydrophobicContact CG1-CD1 4.2Å; I400-L435 HydrophobicContact CG2-CD2 4.38Å; I400-L437 HydrophobicContact CB-CD2 4.48Å; I400-L437 HydrophobicContact CG1-CD2 3.98Å; I400-L437 HydrophobicContact CG2-CD2 4.33Å
401K95Very high90.1Very high98 Ų9865.7 Ų65.743%0.42633%0.332SS..EExtended strand (participates in β ladder)trans-80.8-42.4-177.3-174.9173.4-176.1159.80112D436 E438 V453K401-D436 WeakPolarHBondContact CA-O 3.41Å; K401-D436 HydrophobicContact CB-CB 4.2Å; K401-D436 VanDerWaalsContact CB-O 3.28Å; K401-D436 WeakPolarHBondContact CB-O 3.48Å; K401-D436 PolarHBondContact N-O 3.49Å; K401-E438 HydrophobicContact CB-CB 4.07Å; K401-E438 HydrophobicContact CD-CB 4.3Å; K401-E438 IonicContact NZ-OE1 3.65Å; K401-E438 PolarHBondContact NZ-OE1 3.32Å; K401-E438 VanDerWaalsContact NZ-OE1 3.09Å; K401-V453 HydrophobicContact CD-CG2 4.13Å
402S95.1Very high91.1Very high52 Ų5264.3 Ų64.336%0.36433%0.327SS..EExtended strand (participates in β ladder)trans-160167.9178.959.60000111.9D436S402-D436 PolarHBondContact N-O 2.87Å; S402-D436 PolarHBondContact O-N 3.36Å; S402-D436 VanDerWaalsContact O-N 3.15Å; S402-D436 WeakPolarHBondContact OG-CB 3.17Å; S402-D436 PolarHBondContact OG-OD2 2.88Å
403G91.9Very high91.8Very high10 Ų1064.8 Ų64.810%0.10332%0.319CS..SBendtrans90.75.5174.400000115.8E405 Q434 L435G403-E405 WeakPolarHBondContact CA-OE1 3.23Å; G403-E405 WeakPolarHBondContact CA-OE2 3.5Å; G403-E405 PolarHBondContact N-OE1 2.83Å; G403-Q434 WeakPolarHBondContact CA-O 3.35Å; G403-L435 WeakPolarHBondContact O-CD2 3.39Å
404N93.3Very high92.4Very high36 Ų3665.2 Ų65.219%0.19331%0.311CS..  trans-113.241.1-180-17435.4000111.9I400 G406 R407 E408 F409 L435I400-N404 HydrophobicContact CD1-CB 4.39Å; I400-N404 HydrophobicContact CG2-CB 3.81Å; N404-G406 PolarHBondContact O-N 3.3Å; N404-R407 PolarHBondContact O-N 2.76Å; N404-R407 VanDerWaalsContact O-N 3.1Å; N404-R407 WeakPolarHBondContact OD1-CA 3.44Å; N404-R407 PolarHBondContact OD1-N 3.26Å; N404-E408 PolarHBondContact OD1-N 3.26Å; N404-F409 PolarHBondContact ND2-O 3.47Å; N404-F409 WeakPolarHBondContact OD1-CD2 3.38Å; N404-F409 PolarHBondContact OD1-N 2.83Å; N404-F409 VanDerWaalsContact OD1-N 3.08Å; N404-L435 HydrophobicContact CB-CD2 4.03Å
405E88.5Confident92.6Very high155 Ų15565.2 Ų65.272%0.72431%0.313SS*.THydrogen-bonded Turntrans-61.1-33.8-179.7-60.273.9-156.100111.3G403 R407G403-E405 WeakPolarHBondContact CA-OE1 3.23Å; G403-E405 WeakPolarHBondContact CA-OE2 3.5Å; G403-E405 PolarHBondContact N-OE1 2.83Å; E405-R407 VanDerWaalsContact C-N 3.26Å; E405-R407 PolarHBondContact O-N 2.97Å
406G83.6Confident92.5Very high32 Ų3263.9 Ų63.933%0.3332%0.319SS..THydrogen-bonded Turntrans-74.4-7.7177.400000115.3N404 E408N404-G406 PolarHBondContact O-N 3.3Å; G406-E408 PolarHBondContact O-N 3.39Å
407R89.9Confident92.4Very high194 Ų19465.3 Ų65.373%0.73233%0.327SS*.  trans52.735.9-174-55-178.1178.7-174.5-0.6112.9N404 E405 F409 T424N404-R407 PolarHBondContact O-N 2.76Å; N404-R407 VanDerWaalsContact O-N 3.1Å; N404-R407 WeakPolarHBondContact OD1-CA 3.44Å; N404-R407 PolarHBondContact OD1-N 3.26Å; E405-R407 VanDerWaalsContact C-N 3.26Å; E405-R407 PolarHBondContact O-N 2.97Å; R407-F409 VanDerWaalsContact C-N 3.29Å; R407-T424 PolarHBondContact O-OG1 3.1Å
408E93.1Very high92.5Very high25 Ų2563 Ų6312%0.11732%0.316CS..  trans-81.1-16.6-179.6-65.7161.6152.600111.4N404 G406 M423 T424 R425 I427 R431N404-E408 PolarHBondContact OD1-N 3.26Å; G406-E408 PolarHBondContact O-N 3.39Å; E408-M423 WeakPolarHBondContact O-CA 3.21Å; E408-T424 PolarHBondContact O-N 2.99Å; E408-T424 PolarHBondContact O-OG1 2.8Å; E408-T424 VanDerWaalsContact O-OG1 3.11Å; E408-R425 HydrophobicContact CG-CB 4.45Å; E408-I427 HydrophobicContact CB-CD1 4Å; E408-I427 HydrophobicContact CB-CG1 4.41Å; E408-I427 HydrophobicContact CG-CD1 4.3Å; E408-I427 HydrophobicContact CG-CG1 4.38Å; E408-R431 IonicContact OE1-CZ 3.09Å; E408-R431 IonicContact OE1-NH1 3.5Å; E408-R431 PolarHBondContact OE1-NH1 2.93Å; E408-R431 IonicContact OE1-NH2 2.89Å; E408-R431 IonicContact OE2-CZ 2.99Å; E408-R431 IonicContact OE2-NH1 2.86Å; E408-R431 PolarHBondContact OE2-NH1 2.04Å; E408-R431 IonicContact OE2-NH2 2.64Å; E408-R431 PolarHBondContact OE2-NH2 3.34Å
409F95.9Very high92.5Very high6 Ų661.9 Ų61.93%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-126.9153.4-176.7-51.2-79.8000111.9I382 I400 N404 R407 L421 V422 M423 I427 I433 L435 I458I382-F409 HydrophobicContact CD1-CD1 3.78Å; I382-F409 HydrophobicContact CD1-CE1 3.51Å; I400-F409 HydrophobicContact CD1-CB 3.92Å; N404-F409 PolarHBondContact ND2-O 3.47Å; N404-F409 WeakPolarHBondContact OD1-CD2 3.38Å; N404-F409 PolarHBondContact OD1-N 2.83Å; N404-F409 VanDerWaalsContact OD1-N 3.08Å; R407-F409 VanDerWaalsContact C-N 3.29Å; F409-L421 HydrophobicContact CB-CD1 3.92Å; F409-L421 HydrophobicContact CD1-CD2 4.39Å; F409-L421 HydrophobicContact CD1-CG 4.4Å; F409-V422 CarbonylContact C-O 3.53Å; F409-V422 WeakPolarHBondContact CA-O 3.5Å; F409-M423 HydrophobicContact CD1-CB 4.27Å; F409-M423 HydrophobicContact CE1-CB 4.29Å; F409-M423 HydrophobicContact CE1-CE 3.77Å; F409-M423 HydrophobicContact CE1-CG 4.28Å; F409-M423 HydrophobicContact CZ-CE 4.26Å; F409-I427 HydrophobicContact CE1-CD1 4.19Å; F409-I427 HydrophobicContact CE2-CD1 4.04Å; F409-I427 HydrophobicContact CZ-CD1 3.46Å; F409-I427 VanDerWaalsContact CZ-CD1 3.46Å; F409-I433 HydrophobicContact CE2-CD1 4.18Å; F409-I433 HydrophobicContact CE2-CG2 4.16Å; F409-I433 HydrophobicContact CZ-CD1 4.1Å; F409-L435 HydrophobicContact CD1-CD1 4.29Å; F409-L435 HydrophobicContact CD2-CD1 3.78Å; F409-L435 HydrophobicContact CD2-CD2 4.04Å; F409-L435 HydrophobicContact CD2-CG 4.48Å; F409-L435 HydrophobicContact CE1-CD1 4.44Å; F409-L435 HydrophobicContact CE2-CD1 3.98Å; F409-L435 HydrophobicContact CE2-CD2 4.36Å; F409-L435 HydrophobicContact CG-CD1 3.95Å; F409-L435 HydrophobicContact CZ-CD1 4.29Å; F409-I458 HydrophobicContact CE1-CD1 4.07Å; F409-I458 HydrophobicContact CZ-CD1 4.01Å
410Y95.3Very high92.6Very high94 Ų9458.7 Ų58.737%0.36930%0.297SS..EExtended strand (participates in β ladder)trans-141.3158.1161.279.3-76.8000111.3R412 V422 T424Y410-R412 HydrophobicContact CD2-CB 4.4Å; Y410-R412 HydrophobicContact CE2-CB 3.73Å; Y410-R412 HydrophobicContact CE2-CG 4.24Å; Y410-V422 HydrophobicContact CD1-CB 3.78Å; Y410-V422 HydrophobicContact CD1-CG1 4.22Å; Y410-V422 HydrophobicContact CE1-CB 3.32Å; Y410-V422 HydrophobicContact CE1-CG1 3.41Å; Y410-V422 VanDerWaalsContact CE1-CG1 3.41Å; Y410-V422 HydrophobicContact CE1-CG2 4.05Å; Y410-V422 HydrophobicContact CE2-CG2 4.47Å; Y410-V422 PolarHBondContact N-O 3.49Å; Y410-V422 PolarHBondContact O-N 3.45Å; Y410-T424 HydrophobicContact CD1-CG2 3.24Å; Y410-T424 HydrophobicContact CE1-CG2 3.4Å; Y410-T424 VanDerWaalsContact CE1-CG2 3.4Å; Y410-T424 HydrophobicContact CG-CG2 4.45Å
411M94.8Very high92.6Very high37 Ų3756.8 Ų56.818%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-95.2118.3179.4-153.572.5-103.800109.7M385 F398 I400 A419 T420 L421M385-M411 HydrophobicContact SD-SD 4.22Å; F398-M411 HydrophobicContact CB-CG 3.95Å; I400-M411 HydrophobicContact CG1-CB 4.3Å; I400-M411 HydrophobicContact CG1-SD 4.47Å; M411-A419 HydrophobicContact CE-CB 3.9Å; M411-A419 HydrophobicContact CG-CB 4.28Å; M411-T420 WeakPolarHBondContact CE-O 3.48Å; M411-L421 HydrophobicContact CE-CB 3.84Å; M411-L421 HydrophobicContact CE-CD1 4.43Å; M411-L421 HydrophobicContact SD-CD1 4.2Å
412R94.6Very high92.7Very high91 Ų9152.1 Ų52.134%0.34327%0.268SS..EExtended strand (participates in β ladder)trans-106.7118.3176.5-170.3176.970.4-150.8-2.7110.3D381 Y410 T414 A419 T420 V422D381-R412 VanDerWaalsContact CG-NH2 3.28Å; D381-R412 IonicContact OD1-CZ 3.65Å; D381-R412 IonicContact OD1-NH1 2.74Å; D381-R412 PolarHBondContact OD1-NH1 3.42Å; D381-R412 IonicContact OD1-NH2 3.66Å; D381-R412 PolarHBondContact OD1-NH2 3.28Å; D381-R412 VanDerWaalsContact OD1-NH2 3.1Å; D381-R412 IonicContact OD2-CZ 2.89Å; D381-R412 IonicContact OD2-NH2 3.33Å; D381-R412 PolarHBondContact OD2-NH2 3.34Å; Y410-R412 HydrophobicContact CD2-CB 4.4Å; Y410-R412 HydrophobicContact CE2-CB 3.73Å; Y410-R412 HydrophobicContact CE2-CG 4.24Å; R412-T414 PolarHBondContact O-N 2.91Å; R412-A419 CarbonylContact O-C 3.5Å; R412-A419 VanDerWaalsContact O-CA 3.25Å; R412-A419 WeakPolarHBondContact O-CA 3.47Å; R412-A419 WeakPolarHBondContact O-CB 3.11Å; R412-T420 PolarHBondContact N-O 3.1Å; R412-T420 PolarHBondContact O-N 2.98Å; R412-V422 HydrophobicContact CB-CG2 3.93Å
413Q91.8Very high92.7Very high124 Ų12449.8 Ų49.858%0.57925%0.251SS*.EExtended strand (participates in β ladder)trans-68.5120.1172.4-171.6164.69.200109.8G415Q413-G415 VanDerWaalsContact CG-O 3.3Å; Q413-G415 WeakPolarHBondContact CG-O 3Å; Q413-G415 PolarHBondContact NE2-O 3.23Å; Q413-G415 VanDerWaalsContact NE2-O 3.16Å
414T92.9Very high92.8Very high61 Ų6151.9 Ų51.937%0.37426%0.262SS..  trans-105.5-15.1-177.647.30000112.8R412 S418 T420R412-T414 PolarHBondContact O-N 2.91Å; T414-S418 PolarHBondContact N-O 3.39Å; T414-S418 PolarHBondContact OG1-O 3.11Å; T414-S418 PolarHBondContact OG1-OG 3.09Å; T414-T420 WeakPolarHBondContact CG2-OG1 3.23Å; T414-T420 PolarHBondContact OG1-OG1 3.09Å
415G89.3Confident92.8Very high19 Ų1956.9 Ų56.920%0.19628%0.278CS..SBendtrans-164.3-178177.200000112.6Q413 I417 S418Q413-G415 VanDerWaalsContact CG-O 3.3Å; Q413-G415 WeakPolarHBondContact CG-O 3Å; Q413-G415 PolarHBondContact NE2-O 3.23Å; Q413-G415 VanDerWaalsContact NE2-O 3.16Å; G415-I417 PolarHBondContact O-N 2.92Å; G415-S418 PolarHBondContact N-O 2.77Å; G415-S418 PolarHBondContact N-OG 2.84Å
416P87.4Confident93Very high93 Ų9353.1 Ų53.160%0.60427%0.267SS*.SBendtrans-67.1-22.2179.227.5-34.8000112.8Y396Y396-P416 WeakPolarHBondContact CD2-O 3.42Å
417I90.2Very high93.5Very high38 Ų3851.8 Ų51.820%0.19525%0.252CS..SBendtrans-128.59.9-177.964.8167.6000112.8Q386 A387 Y396 G415Q386-I417 CarbonylContact C-O 3.47Å; Q386-I417 WeakPolarHBondContact CA-O 3.02Å; Q386-I417 HydrophobicContact CG-CD1 4.29Å; Q386-I417 HydrophobicContact CG-CG1 4.39Å; A387-I417 HydrophobicContact CB-CB 4.22Å; A387-I417 PolarHBondContact N-O 3.37Å; Y396-I417 HydrophobicContact CD2-CB 4.4Å; Y396-I417 HydrophobicContact CD2-CG2 3.87Å; Y396-I417 HydrophobicContact CE2-CG2 3.71Å; G415-I417 PolarHBondContact O-N 2.92Å
418S93.9Very high93.7Very high17 Ų1751.2 Ų51.212%0.11926%0.255CS..EExtended strand (participates in β ladder)trans-142.1147.6-175.865.40000113.3M385 T414 G415M385-S418 CarbonylContact O-C 3.33Å; M385-S418 WeakPolarHBondContact O-CA 3.37Å; M385-S418 WeakPolarHBondContact O-CB 3.41Å; T414-S418 PolarHBondContact N-O 3.39Å; T414-S418 PolarHBondContact OG1-O 3.11Å; T414-S418 PolarHBondContact OG1-OG 3.09Å; G415-S418 PolarHBondContact N-O 2.77Å; G415-S418 PolarHBondContact N-OG 2.84Å
419A95.4Very high93.6Very high0 Ų051 Ų510%026%0.26CS..EExtended strand (participates in β ladder)trans-141.6149.5173.200000110.3M385 F398 M411 R412M385-A419 PolarHBondContact N-O 3.13Å; M385-A419 PolarHBondContact O-N 3Å; F398-A419 HydrophobicContact CB-CB 3.46Å; F398-A419 VanDerWaalsContact CB-CB 3.46Å; F398-A419 HydrophobicContact CD1-CB 3.92Å; F398-A419 HydrophobicContact CD2-CB 3.63Å; F398-A419 HydrophobicContact CE2-CB 4.33Å; F398-A419 HydrophobicContact CG-CB 3.38Å; M411-A419 HydrophobicContact CE-CB 3.9Å; M411-A419 HydrophobicContact CG-CB 4.28Å; R412-A419 CarbonylContact O-C 3.5Å; R412-A419 VanDerWaalsContact O-CA 3.25Å; R412-A419 WeakPolarHBondContact O-CA 3.47Å; R412-A419 WeakPolarHBondContact O-CB 3.11Å
420T96.6Very high93.4Very high11 Ų1155.4 Ų55.47%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-118.1127.5-177.2-57.20000109.9D381 F383 M411 R412 T414 V422D381-T420 HydrophobicContact CB-CG2 3.65Å; F383-T420 CarbonylContact O-C 3.53Å; F383-T420 WeakPolarHBondContact O-CA 3.29Å; M411-T420 WeakPolarHBondContact CE-O 3.48Å; R412-T420 PolarHBondContact N-O 3.1Å; R412-T420 PolarHBondContact O-N 2.98Å; T414-T420 WeakPolarHBondContact CG2-OG1 3.23Å; T414-T420 PolarHBondContact OG1-OG1 3.09Å; T420-V422 HydrophobicContact CG2-CG2 4.41Å
421L96.6Very high93.3Very high0 Ų055.7 Ų55.70%029%0.289CS..EExtended strand (participates in β ladder)trans-78120.4176-175.970.4000106.8I382 F383 I400 F409 M411 L435 L437 L456I382-L421 HydrophobicContact CD1-CD2 3.83Å; I382-L421 HydrophobicContact CD1-CG 4.22Å; I382-L421 HydrophobicContact CG1-CB 4.34Å; I382-L421 HydrophobicContact CG1-CD2 4.1Å; I382-L421 HydrophobicContact CG1-CG 4.15Å; I382-L421 WeakPolarHBondContact CG1-O 3.21Å; I382-L421 PolarHBondContact N-O 3.16Å; F383-L421 HydrophobicContact CB-CB 4.02Å; F383-L421 HydrophobicContact CB-CD2 4.26Å; F383-L421 PolarHBondContact O-N 3.36Å; I400-L421 HydrophobicContact CD1-CD1 3.86Å; I400-L421 HydrophobicContact CG1-CD1 4.2Å; F409-L421 HydrophobicContact CB-CD1 3.92Å; F409-L421 HydrophobicContact CD1-CD2 4.39Å; F409-L421 HydrophobicContact CD1-CG 4.4Å; M411-L421 HydrophobicContact CE-CB 3.84Å; M411-L421 HydrophobicContact CE-CD1 4.43Å; M411-L421 HydrophobicContact SD-CD1 4.2Å; L421-L435 HydrophobicContact CD1-CD1 4.5Å; L421-L435 HydrophobicContact CD2-CD1 3.7Å; L421-L437 HydrophobicContact CD1-CD2 4.01Å; L421-L437 HydrophobicContact CD2-CD1 4.28Å; L421-L437 HydrophobicContact CD2-CD2 4.47Å; L421-L456 HydrophobicContact CD2-CD2 3.88Å
422V96.6Very high93.3Very high0 Ų058.6 Ų58.60%030%0.302CS..EExtended strand (participates in β ladder)trans-114.8125.2-175.5-173.60000108.5P379 A380 D381 F409 Y410 R412 T420P379-V422 HydrophobicContact CB-CG1 4.18Å; A380-V422 CarbonylContact O-C 3.57Å; A380-V422 WeakPolarHBondContact O-CA 3.36Å; D381-V422 WeakPolarHBondContact OD1-CG2 3.35Å; F409-V422 CarbonylContact C-O 3.53Å; F409-V422 WeakPolarHBondContact CA-O 3.5Å; Y410-V422 HydrophobicContact CD1-CB 3.78Å; Y410-V422 HydrophobicContact CD1-CG1 4.22Å; Y410-V422 HydrophobicContact CE1-CB 3.32Å; Y410-V422 HydrophobicContact CE1-CG1 3.41Å; Y410-V422 VanDerWaalsContact CE1-CG1 3.41Å; Y410-V422 HydrophobicContact CE1-CG2 4.05Å; Y410-V422 HydrophobicContact CE2-CG2 4.47Å; Y410-V422 PolarHBondContact N-O 3.49Å; Y410-V422 PolarHBondContact O-N 3.45Å; R412-V422 HydrophobicContact CB-CG2 3.93Å; T420-V422 HydrophobicContact CG2-CG2 4.41Å
423M95.6Very high93.3Very high2 Ų254.6 Ų54.61%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-79.1127.8170-176.4-176.4-78.500109.2V372 V378 P379 A380 I382 E408 F409 R425 I427V372-M423 HydrophobicContact CG1-CE 3.92Å; V378-M423 HydrophobicContact CG1-CB 4.33Å; V378-M423 HydrophobicContact CG1-CG 3.75Å; V378-M423 HydrophobicContact CG1-SD 3.99Å; P379-M423 WeakPolarHBondContact CA-O 3.4Å; A380-M423 HydrophobicContact CB-CB 4.48Å; A380-M423 PolarHBondContact N-O 2.03Å; A380-M423 PolarHBondContact O-N 3.4Å; I382-M423 HydrophobicContact CD1-CB 4.34Å; I382-M423 HydrophobicContact CD1-CE 4.37Å; I382-M423 HydrophobicContact CG2-CB 4.21Å; E408-M423 WeakPolarHBondContact O-CA 3.21Å; F409-M423 HydrophobicContact CD1-CB 4.27Å; F409-M423 HydrophobicContact CE1-CB 4.29Å; F409-M423 HydrophobicContact CE1-CE 3.77Å; F409-M423 HydrophobicContact CE1-CG 4.28Å; F409-M423 HydrophobicContact CZ-CE 4.26Å; M423-R425 VanDerWaalsContact CG-O 3.27Å; M423-R425 WeakPolarHBondContact CG-O 3.34Å; M423-I427 HydrophobicContact CE-CD1 3.75Å; M423-I427 HydrophobicContact CE-CG1 4.11Å; M423-I427 HydrophobicContact SD-CG1 4.37Å
424T94.3Very high93.5Very high55 Ų5552.7 Ų52.734%0.33728%0.279SS..  trans-110-14.8-177.449.40000113.7V378 R407 E408 Y410V378-T424 WeakPolarHBondContact CG2-O 3.39Å; R407-T424 PolarHBondContact O-OG1 3.1Å; E408-T424 PolarHBondContact O-N 2.99Å; E408-T424 PolarHBondContact O-OG1 2.8Å; E408-T424 VanDerWaalsContact O-OG1 3.11Å; Y410-T424 HydrophobicContact CD1-CG2 3.24Å; Y410-T424 HydrophobicContact CE1-CG2 3.4Å; Y410-T424 VanDerWaalsContact CE1-CG2 3.4Å; Y410-T424 HydrophobicContact CG-CG2 4.45Å
425R92.7Very high93.7Very high141 Ų14149.8 Ų49.853%0.53226%0.261SS..SBendtrans-132137179.2-65.8-179.4176-174.2-4.9109.6E408 M423 I427E408-R425 HydrophobicContact CG-CB 4.45Å; M423-R425 VanDerWaalsContact CG-O 3.27Å; M423-R425 WeakPolarHBondContact CG-O 3.34Å; R425-I427 PolarHBondContact O-N 3.17Å
426P93.9Very high94Very high75 Ų7549.6 Ų49.649%0.48726%0.255SS..  trans-66.2133.8175.629.1-32.2000108.8
427I93.6Very high94.5Very high5 Ų545.2 Ų45.23%0.02623%0.227CC..  trans-106.7122.9179.2-51.7-178000107.5G375 E408 F409 M423 R425 I433 V460G375-I427 PolarHBondContact N-O 3.23Å; E408-I427 HydrophobicContact CB-CD1 4Å; E408-I427 HydrophobicContact CB-CG1 4.41Å; E408-I427 HydrophobicContact CG-CD1 4.3Å; E408-I427 HydrophobicContact CG-CG1 4.38Å; F409-I427 HydrophobicContact CE1-CD1 4.19Å; F409-I427 HydrophobicContact CE2-CD1 4.04Å; F409-I427 HydrophobicContact CZ-CD1 3.46Å; F409-I427 VanDerWaalsContact CZ-CD1 3.46Å; M423-I427 HydrophobicContact CE-CD1 3.75Å; M423-I427 HydrophobicContact CE-CG1 4.11Å; M423-I427 HydrophobicContact SD-CG1 4.37Å; R425-I427 PolarHBondContact O-N 3.17Å; I427-I433 HydrophobicContact CD1-CD1 3.53Å; I427-I433 HydrophobicContact CG2-CD1 4.21Å; I427-V460 HydrophobicContact CB-CG2 4.42Å; I427-V460 HydrophobicContact CG2-CG1 4.38Å; I427-V460 HydrophobicContact CG2-CG2 4.03Å
428K93.3Very high94.8Very high181 Ų18144.2 Ų44.279%0.78722%0.221SC*.  trans-84.4127.9171.4-65.2-170.1177.4-170.50108.7
429G90.4Very high94.8Very high21 Ų2144.9 Ų44.922%0.21622%0.223CC..SBendtrans-91.2-173.4172.500000113S374 S461S374-G429 PolarHBondContact OG-N 3.44Å; G429-S461 VanDerWaalsContact CA-O 3.23Å; G429-S461 WeakPolarHBondContact CA-O 3.5Å
430P93.2Very high94.7Very high98 Ų9845.5 Ų45.564%0.63623%0.226SC*.SBendcis-72.2129.9-3.129.8-32.5000110.8V460 Q462P430-V460 WeakPolarHBondContact CA-O 3.37Å; P430-Q462 HydrophobicContact CB-CB 4.31Å
431R92.6Very high94.5Very high101 Ų10145.7 Ų45.738%0.38123%0.227SC..EExtended strand (participates in β ladder)trans-149.5141.8179-175172.5161-155-13.8110.8E408 I433 V460E408-R431 IonicContact OE1-CZ 3.09Å; E408-R431 IonicContact OE1-NH1 3.5Å; E408-R431 PolarHBondContact OE1-NH1 2.93Å; E408-R431 IonicContact OE1-NH2 2.89Å; E408-R431 IonicContact OE2-CZ 2.99Å; E408-R431 IonicContact OE2-NH1 2.86Å; E408-R431 PolarHBondContact OE2-NH1 2.04Å; E408-R431 IonicContact OE2-NH2 2.64Å; E408-R431 PolarHBondContact OE2-NH2 3.34Å; R431-I433 HydrophobicContact CG-CG1 4.03Å; R431-V460 HydrophobicContact CB-CB 4.39Å; R431-V460 PolarHBondContact N-O 3.01Å; R431-V460 WeakPolarHBondContact O-CB 3.41Å; R431-V460 PolarHBondContact O-N 3.29Å
432E94.2Very high94.2Very high98 Ų9846.7 Ų46.746%0.45823%0.233SC..EExtended strand (participates in β ladder)trans-108.4130.4171.5-178.3170.9178.600109.3K330 I458 Y459K330-E432 IonicContact NZ-OE1 3.49Å; K330-E432 PolarHBondContact NZ-OE1 2.76Å; K330-E432 IonicContact NZ-OE2 3.87Å; K330-E432 PolarHBondContact NZ-OE2 3.06Å; E432-I458 WeakPolarHBondContact CA-O 3.08Å; E432-Y459 HydrophobicContact CB-CD1 4.44Å; E432-Y459 HydrophobicContact CG-CD1 4.02Å; E432-Y459 HydrophobicContact CG-CE1 3.81Å; E432-Y459 WeakPolarHBondContact OE1-CE1 3.31Å
433I94.9Very high93.8Very high6 Ų647.1 Ų47.13%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-125.9129.1-178.6-55.8175.3000108.1F409 I427 R431 L435 R457 I458 V460F409-I433 HydrophobicContact CE2-CD1 4.18Å; F409-I433 HydrophobicContact CE2-CG2 4.16Å; F409-I433 HydrophobicContact CZ-CD1 4.1Å; I427-I433 HydrophobicContact CD1-CD1 3.53Å; I427-I433 HydrophobicContact CG2-CD1 4.21Å; R431-I433 HydrophobicContact CG-CG1 4.03Å; I433-L435 HydrophobicContact CG2-CD2 4.29Å; I433-L435 HydrophobicContact CG2-CG 4.17Å; I433-R457 CarbonylContact O-C 3.21Å; I433-R457 WeakPolarHBondContact O-CA 3.45Å; I433-I458 HydrophobicContact CB-CB 4.36Å; I433-I458 PolarHBondContact N-O 2.92Å; I433-I458 PolarHBondContact O-N 3.37Å; I433-V460 HydrophobicContact CD1-CG2 4.41Å
434Q96Very high93.3Very high85 Ų8551.8 Ų51.840%0.39726%0.264SS..EExtended strand (participates in β ladder)trans-108.6119.9172.1-171.8179.4-84.200109.6G403 R455 L456 R457G403-Q434 WeakPolarHBondContact CA-O 3.35Å; Q434-R455 HydrophobicContact CG-CG 3.89Å; Q434-L456 CarbonylContact C-O 3.59Å; Q434-L456 WeakPolarHBondContact CA-O 3.04Å; Q434-R457 HydrophobicContact CG-CG 4.29Å
435L96.9Very high92.9Very high0 Ų054.6 Ų54.60%028%0.281CS..EExtended strand (participates in β ladder)trans-110.9128.8174.8-65175.3000109.9I400 G403 N404 F409 L421 I433 L437 L456 I458I400-L435 HydrophobicContact CG2-CD2 4.38Å; G403-L435 WeakPolarHBondContact O-CD2 3.39Å; N404-L435 HydrophobicContact CB-CD2 4.03Å; F409-L435 HydrophobicContact CD1-CD1 4.29Å; F409-L435 HydrophobicContact CD2-CD1 3.78Å; F409-L435 HydrophobicContact CD2-CD2 4.04Å; F409-L435 HydrophobicContact CD2-CG 4.48Å; F409-L435 HydrophobicContact CE1-CD1 4.44Å; F409-L435 HydrophobicContact CE2-CD1 3.98Å; F409-L435 HydrophobicContact CE2-CD2 4.36Å; F409-L435 HydrophobicContact CG-CD1 3.95Å; F409-L435 HydrophobicContact CZ-CD1 4.29Å; L421-L435 HydrophobicContact CD1-CD1 4.5Å; L421-L435 HydrophobicContact CD2-CD1 3.7Å; I433-L435 HydrophobicContact CG2-CD2 4.29Å; I433-L435 HydrophobicContact CG2-CG 4.17Å; L435-L437 HydrophobicContact CB-CD2 4.1Å; L435-L437 HydrophobicContact CB-CG 4.49Å; L435-L456 HydrophobicContact CB-CB 4.47Å; L435-L456 PolarHBondContact N-O 2.76Å; L435-L456 PolarHBondContact O-N 3.22Å; L435-I458 HydrophobicContact CD1-CD1 3.72Å; L435-I458 HydrophobicContact CG-CD1 4.49Å
436D96.8Very high92.5Very high15 Ų1553.3 Ų53.38%0.0828%0.284CS..EExtended strand (participates in β ladder)trans-95.6111.6165.7-71.3-17.1000107.9K401 S402 V453 R455K401-D436 WeakPolarHBondContact CA-O 3.41Å; K401-D436 HydrophobicContact CB-CB 4.2Å; K401-D436 VanDerWaalsContact CB-O 3.28Å; K401-D436 WeakPolarHBondContact CB-O 3.48Å; K401-D436 PolarHBondContact N-O 3.49Å; S402-D436 PolarHBondContact N-O 2.87Å; S402-D436 PolarHBondContact O-N 3.36Å; S402-D436 VanDerWaalsContact O-N 3.15Å; S402-D436 WeakPolarHBondContact OG-CB 3.17Å; S402-D436 PolarHBondContact OG-OD2 2.88Å; D436-V453 HydrophobicContact CB-CG1 3.92Å; D436-R455 WeakPolarHBondContact OD1-CB 3.36Å; D436-R455 WeakPolarHBondContact OD1-CG 3.44Å; D436-R455 IonicContact OD1-CZ 3.72Å; D436-R455 IonicContact OD1-NE 3.77Å; D436-R455 PolarHBondContact OD1-NE 2.71Å; D436-R455 IonicContact OD1-NH2 3.66Å; D436-R455 IonicContact OD2-CZ 3.57Å; D436-R455 IonicContact OD2-NE 3.33Å; D436-R455 IonicContact OD2-NH2 2.63Å; D436-R455 PolarHBondContact OD2-NH2 2.02Å
437L97Very high92.1Very high0 Ų057.1 Ų57.10%030%0.3CS..EExtended strand (participates in β ladder)trans-99.5124.3177.9-49.6178000109.1F383 M385 I400 L421 L435 V453 I454 L456F383-L437 HydrophobicContact CD1-CD1 3.89Å; F383-L437 HydrophobicContact CE1-CD1 4.13Å; M385-L437 HydrophobicContact CE-CB 3.73Å; M385-L437 HydrophobicContact CG-CD1 4.27Å; M385-L437 HydrophobicContact SD-CB 3.49Å; M385-L437 WeakPolarHBondContact SD-CB 3.07Å; M385-L437 HydrophobicContact SD-CD1 3.77Å; M385-L437 HydrophobicContact SD-CG 4.25Å; I400-L437 HydrophobicContact CB-CD2 4.48Å; I400-L437 HydrophobicContact CG1-CD2 3.98Å; I400-L437 HydrophobicContact CG2-CD2 4.33Å; L421-L437 HydrophobicContact CD1-CD2 4.01Å; L421-L437 HydrophobicContact CD2-CD1 4.28Å; L421-L437 HydrophobicContact CD2-CD2 4.47Å; L435-L437 HydrophobicContact CB-CD2 4.1Å; L435-L437 HydrophobicContact CB-CG 4.49Å; L437-V453 CarbonylContact O-C 3.54Å; L437-V453 VanDerWaalsContact O-CA 3.29Å; L437-V453 WeakPolarHBondContact O-CA 3.45Å; L437-I454 HydrophobicContact CB-CB 4.41Å; L437-I454 PolarHBondContact N-O 3.32Å; L437-I454 PolarHBondContact O-N 2.79Å; L437-L456 HydrophobicContact CD1-CD2 4.13Å
438E95.9Very high91.7Very high18 Ų1860.6 Ų60.68%0.08432%0.315CS..EExtended strand (participates in β ladder)trans-109130.4-175.8-172.3171.9-121.900111.4F398 Q399 K401 I440 S451 V453F398-E438 WeakPolarHBondContact CA-O 3Å; Q399-E438 HydrophobicContact CG-CB 4.07Å; Q399-E438 PolarHBondContact N-O 2.84Å; Q399-E438 PolarHBondContact NE2-OE2 3.3Å; Q399-E438 PolarHBondContact O-N 2.88Å; K401-E438 HydrophobicContact CB-CB 4.07Å; K401-E438 HydrophobicContact CD-CB 4.3Å; K401-E438 IonicContact NZ-OE1 3.65Å; K401-E438 PolarHBondContact NZ-OE1 3.32Å; K401-E438 VanDerWaalsContact NZ-OE1 3.09Å; E438-I440 HydrophobicContact CG-CG1 4.1Å; E438-S451 WeakPolarHBondContact OE1-CB 3.01Å; E438-S451 PolarHBondContact OE1-OG 2.96Å; E438-S451 VanDerWaalsContact OE1-OG 3.05Å; E438-V453 HydrophobicContact CB-CG2 4.25Å; E438-V453 HydrophobicContact CG-CG2 4.14Å
439M94.8Very high91.5Very high30 Ų3061 Ų6115%0.14831%0.312CS..EExtended strand (participates in β ladder)trans-107.8114.6168.8-179.7-176.273.300108.7M385 A387 Y396 I397 F398 S451 S452M385-M439 HydrophobicContact CE-CB 4.28Å; A387-M439 HydrophobicContact CB-CE 4.35Å; A387-M439 HydrophobicContact CB-SD 3.69Å; Y396-M439 HydrophobicContact CD1-CG 4.44Å; Y396-M439 HydrophobicContact CD1-SD 4.19Å; I397-M439 CarbonylContact O-C 3.49Å; I397-M439 WeakPolarHBondContact O-CA 3.46Å; F398-M439 HydrophobicContact CD1-CB 4.07Å; F398-M439 HydrophobicContact CD1-CG 3.94Å; F398-M439 HydrophobicContact CE1-CB 4.08Å; F398-M439 HydrophobicContact CE1-CG 3.53Å; F398-M439 HydrophobicContact CE1-SD 3.65Å; F398-M439 HydrophobicContact CZ-CG 4.14Å; F398-M439 HydrophobicContact CZ-SD 4.13Å; M439-S451 CarbonylContact O-C 3.55Å; M439-S451 VanDerWaalsContact O-CA 3.25Å; M439-S451 WeakPolarHBondContact O-CA 3.06Å; M439-S452 PolarHBondContact N-O 2.86Å; M439-S452 PolarHBondContact O-N 3.47Å
440I92.9Very high91.5Very high14 Ų1460.4 Ų60.47%0.07231%0.305CS..EExtended strand (participates in β ladder)trans-96.4122.4175-53.7171.8000108.3Y396 I397 E438 V442 R449 G450Y396-I440 CarbonylContact C-O 3.58Å; Y396-I440 WeakPolarHBondContact CA-O 3.39Å; I397-I440 HydrophobicContact CB-CB 4.22Å; I397-I440 PolarHBondContact N-O 3.43Å; I397-I440 PolarHBondContact O-N 3.46Å; E438-I440 HydrophobicContact CG-CG1 4.1Å; I440-V442 HydrophobicContact CG2-CG2 3.98Å; I440-R449 HydrophobicContact CG2-CG 4.31Å; I440-G450 CarbonylContact C-O 3.58Å; I440-G450 WeakPolarHBondContact CA-O 3.24Å
441T91.4Very high91.5Very high15 Ų1556.6 Ų56.69%0.09228%0.281CS..EExtended strand (participates in β ladder)trans-96.2124.4172.1-54.40000109A394 Y396 F448 R449 G450A394-T441 HydrophobicContact CB-CG2 4.42Å; Y396-T441 HydrophobicContact CD1-CG2 4.12Å; Y396-T441 HydrophobicContact CE1-CG2 3.65Å; T441-F448 HydrophobicContact CG2-CE1 4.38Å; T441-R449 WeakPolarHBondContact O-CA 3.49Å; T441-G450 PolarHBondContact N-O 2.96Å; T441-G450 PolarHBondContact O-N 2.95Å
442V90.6Very high91.5Very high20 Ų2053.1 Ų53.112%0.12127%0.272CS..EExtended strand (participates in β ladder)trans-121.3123174.1-173.90000108.8A394 Y395 I440 R449A394-V442 CarbonylContact C-O 3.56Å; A394-V442 WeakPolarHBondContact CA-O 3.05Å; Y395-V442 HydrophobicContact CD1-CB 4.25Å; Y395-V442 HydrophobicContact CD2-CB 4.43Å; Y395-V442 HydrophobicContact CE1-CB 3.74Å; Y395-V442 HydrophobicContact CE1-CG1 3.7Å; Y395-V442 HydrophobicContact CE2-CB 3.94Å; Y395-V442 HydrophobicContact CE2-CG2 4.07Å; Y395-V442 PolarHBondContact N-O 2.04Å; Y395-V442 PolarHBondContact O-N 2.04Å; I440-V442 HydrophobicContact CG2-CG2 3.98Å; V442-R449 HydrophobicContact CG2-CG 4.41Å
443N88.7Confident91.6Very high9 Ų948.7 Ų48.75%0.04825%0.252CS..EExtended strand (participates in β ladder)trans-121.7111.5171.8-169.8-36.2000109.5P392 A394 V445 I446 N447 F448P392-N443 PolarHBondContact O-ND2 3.39Å; A394-N443 HydrophobicContact CB-CB 4Å; N443-V445 WeakPolarHBondContact OD1-CB 3.4Å; N443-V445 PolarHBondContact OD1-N 2.98Å; N443-I446 HydrophobicContact CB-CD1 4.3Å; N443-I446 HydrophobicContact CB-CG1 3.83Å; N443-I446 PolarHBondContact OD1-N 2.83Å; N443-N447 WeakPolarHBondContact O-CA 3.49Å; N443-N447 PolarHBondContact O-N 2.92Å; N443-F448 HydrophobicContact CB-CB 4.31Å; N443-F448 PolarHBondContact N-O 2.93Å; N443-F448 PolarHBondContact O-N 3.4Å
444T85.3Confident91.7Very high101 Ų10149.5 Ų49.562%0.6226%0.256SS*.THydrogen-bonded Turntrans-77-22-17753.60000113Y395Y395-T444 HydrophobicContact CE1-CG2 4.33Å
445V86.1Confident91.7Very high114 Ų11448.1 Ų48.169%0.69125%0.247SC*.THydrogen-bonded Turntrans-70.4-40.9-179-176.90000111N443N443-V445 WeakPolarHBondContact OD1-CB 3.4Å; N443-V445 PolarHBondContact OD1-N 2.98Å
446I84.2Confident91.7Very high114 Ų11448.1 Ų48.159%0.58525%0.247SC*.THydrogen-bonded Turntrans-106.610.3-178.759.7166.7000113N443 F448N443-I446 HydrophobicContact CB-CD1 4.3Å; N443-I446 HydrophobicContact CB-CG1 3.83Å; N443-I446 PolarHBondContact OD1-N 2.83Å; I446-F448 VanDerWaalsContact C-N 3.26Å; I446-F448 HydrophobicContact CD1-CB 3.7Å; I446-F448 HydrophobicContact CD1-CG 4.37Å; I446-F448 HydrophobicContact CG1-CB 3.71Å; I446-F448 PolarHBondContact O-N 2.65Å
447N84.9Confident91.7Very high155 Ų15550.8 Ų50.883%0.82926%0.256SS*.THydrogen-bonded Turntrans48.346-175.9-16733.9000113.4N443N443-N447 WeakPolarHBondContact O-CA 3.49Å; N443-N447 PolarHBondContact O-N 2.92Å
448F85.6Confident91.6Very high78 Ų7850.8 Ų50.834%0.34226%0.256SS..EExtended strand (participates in β ladder)trans-105.4132.1-178.2176.7-95.9000110.5F363 T441 N443 I446F363-F448 HydrophobicContact CD2-CZ 4.24Å; F363-F448 HydrophobicContact CE2-CE1 4.43Å; F363-F448 AromaticContact CE2-CE2 3.87Å; F363-F448 HydrophobicContact CE2-CE2 3.87Å; F363-F448 AromaticContact CE2-CZ 3.43Å; F363-F448 HydrophobicContact CE2-CZ 3.43Å; F363-F448 VanDerWaalsContact CE2-CZ 3.43Å; F363-F448 AromaticContact CZ-CE2 3.85Å; F363-F448 HydrophobicContact CZ-CE2 3.85Å; F363-F448 AromaticContact CZ-CZ 3.88Å; F363-F448 HydrophobicContact CZ-CZ 3.88Å; T441-F448 HydrophobicContact CG2-CE1 4.38Å; N443-F448 HydrophobicContact CB-CB 4.31Å; N443-F448 PolarHBondContact N-O 2.93Å; N443-F448 PolarHBondContact O-N 3.4Å; I446-F448 VanDerWaalsContact C-N 3.26Å; I446-F448 HydrophobicContact CD1-CB 3.7Å; I446-F448 HydrophobicContact CD1-CG 4.37Å; I446-F448 HydrophobicContact CG1-CB 3.71Å; I446-F448 PolarHBondContact O-N 2.65Å
449R89.6Confident91.6Very high189 Ų18950.6 Ų50.671%0.71326%0.255SS*.EExtended strand (participates in β ladder)trans-132.8126.2169.9-176.9175.4-177.9-177.10108.7I440 T441 V442I440-R449 HydrophobicContact CG2-CG 4.31Å; T441-R449 WeakPolarHBondContact O-CA 3.49Å; V442-R449 HydrophobicContact CG2-CG 4.41Å
450G89.3Confident91.5Very high8 Ų849.5 Ų49.58%0.08225%0.25CC..EExtended strand (participates in β ladder)trans-143.5158-179.200000112.1I440 T441I440-G450 CarbonylContact C-O 3.58Å; I440-G450 WeakPolarHBondContact CA-O 3.24Å; T441-G450 PolarHBondContact N-O 2.96Å; T441-G450 PolarHBondContact O-N 2.95Å
451S93Very high91.6Very high19 Ų1949.3 Ų49.313%0.13325%0.25CC..EExtended strand (participates in β ladder)trans-128.2152.9168.476.40000112.6P362 F363 E438 M439P362-S451 CarbonylContact C-O 3.58Å; P362-S451 VanDerWaalsContact CA-O 3.29Å; P362-S451 WeakPolarHBondContact CA-O 3.39Å; F363-S451 PolarHBondContact N-O 3.29Å; E438-S451 WeakPolarHBondContact OE1-CB 3.01Å; E438-S451 PolarHBondContact OE1-OG 2.96Å; E438-S451 VanDerWaalsContact OE1-OG 3.05Å; M439-S451 CarbonylContact O-C 3.55Å; M439-S451 VanDerWaalsContact O-CA 3.25Å; M439-S451 WeakPolarHBondContact O-CA 3.06Å
452S93.9Very high91.6Very high27 Ų2753.7 Ų53.719%0.18927%0.269CS..EExtended strand (participates in β ladder)trans-128.9141169.2-66.90000108T364 M439T364-S452 WeakPolarHBondContact O-CA 3.28Å; T364-S452 VanDerWaalsContact OG1-CB 3.31Å; T364-S452 WeakPolarHBondContact OG1-CB 3.26Å; T364-S452 PolarHBondContact OG1-OG 3.46Å; M439-S452 PolarHBondContact N-O 2.86Å; M439-S452 PolarHBondContact O-N 3.47Å
453V96.2Very high91.5Very high5 Ų555 Ų553%0.0327%0.272CS..EExtended strand (participates in β ladder)trans-114.9136.8-177.4173.10000110P362 T364 I365 L366 K401 D436 L437 E438P362-V453 HydrophobicContact CB-CB 4.43Å; P362-V453 HydrophobicContact CB-CG2 3.84Å; P362-V453 HydrophobicContact CG-CG2 3.61Å; T364-V453 PolarHBondContact O-N 2.85Å; I365-V453 CarbonylContact C-O 3.44Å; I365-V453 VanDerWaalsContact CA-O 3.29Å; I365-V453 WeakPolarHBondContact CA-O 3.25Å; L366-V453 PolarHBondContact N-O 2.73Å; K401-V453 HydrophobicContact CD-CG2 4.13Å; D436-V453 HydrophobicContact CB-CG1 3.92Å; L437-V453 CarbonylContact O-C 3.54Å; L437-V453 VanDerWaalsContact O-CA 3.29Å; L437-V453 WeakPolarHBondContact O-CA 3.45Å; E438-V453 HydrophobicContact CB-CG2 4.25Å; E438-V453 HydrophobicContact CG-CG2 4.14Å
454I96.8Very high91.3Very high24 Ų2458.3 Ų58.312%0.12329%0.294CS..EExtended strand (participates in β ladder)trans-104.5116.2164.1-57.3-175.9000107.1L366 R368 F383 M385 L437 L456L366-I454 HydrophobicContact CB-CG1 4.21Å; L366-I454 HydrophobicContact CD2-CD1 4.11Å; L366-I454 HydrophobicContact CD2-CG1 4.12Å; L366-I454 CarbonylContact O-C 3.52Å; L366-I454 VanDerWaalsContact O-CA 3.28Å; L366-I454 WeakPolarHBondContact O-CA 3.2Å; R368-I454 HydrophobicContact CB-CG2 4.35Å; R368-I454 HydrophobicContact CG-CG2 4.23Å; F383-I454 HydrophobicContact CE1-CD1 4.06Å; F383-I454 HydrophobicContact CE1-CG2 4.34Å; F383-I454 HydrophobicContact CZ-CD1 4.29Å; F383-I454 HydrophobicContact CZ-CG2 4.2Å; M385-I454 HydrophobicContact CE-CB 4.35Å; M385-I454 HydrophobicContact CE-CD1 3.7Å; M385-I454 HydrophobicContact CE-CG1 3.89Å; M385-I454 HydrophobicContact CG-CD1 4.07Å; L437-I454 HydrophobicContact CB-CB 4.41Å; L437-I454 PolarHBondContact N-O 3.32Å; L437-I454 PolarHBondContact O-N 2.79Å; I454-L456 PolarHBondContact O-N 3.03Å
455R96.7Very high90.7Very high55 Ų5557.7 Ų57.721%0.20828%0.283CS..EExtended strand (participates in β ladder)trans-88.199.7169.9-178.7161.7-70.3167.7-2.2108.1I365 L366 Y367 R368 Q434 D436I365-R455 HydrophobicContact CG2-CB 4.37Å; L366-R455 PolarHBondContact O-N 3.31Å; Y367-R455 HydrophobicContact CD1-CB 4.22Å; Y367-R455 HydrophobicContact CD1-CG 4.27Å; Y367-R455 HydrophobicContact CE1-CB 4.38Å; Y367-R455 HydrophobicContact CE1-CG 4.32Å; R368-R455 PolarHBondContact N-O 3.11Å; Q434-R455 HydrophobicContact CG-CG 3.89Å; D436-R455 WeakPolarHBondContact OD1-CB 3.36Å; D436-R455 WeakPolarHBondContact OD1-CG 3.44Å; D436-R455 IonicContact OD1-CZ 3.72Å; D436-R455 IonicContact OD1-NE 3.77Å; D436-R455 PolarHBondContact OD1-NE 2.71Å; D436-R455 IonicContact OD1-NH2 3.66Å; D436-R455 IonicContact OD2-CZ 3.57Å; D436-R455 IonicContact OD2-NE 3.33Å; D436-R455 IonicContact OD2-NH2 2.63Å; D436-R455 PolarHBondContact OD2-NH2 2.02Å
456L96.7Very high91Very high0 Ų054.9 Ų54.90%026%0.262CS..EExtended strand (participates in β ladder)trans-97.6119.1-177.2-177.165.2000109.5R368 M370 F383 L421 Q434 L435 L437 I454 I458R368-L456 HydrophobicContact CB-CD1 3.79Å; R368-L456 CarbonylContact O-C 3.54Å; R368-L456 WeakPolarHBondContact O-CA 3.49Å; M370-L456 HydrophobicContact CB-CD1 4.46Å; M370-L456 HydrophobicContact CG-CD1 3.87Å; M370-L456 HydrophobicContact CG-CG 4.34Å; M370-L456 HydrophobicContact SD-CD1 3.99Å; M370-L456 HydrophobicContact SD-CD2 3.86Å; M370-L456 HydrophobicContact SD-CG 4.24Å; F383-L456 HydrophobicContact CB-CD2 4.09Å; F383-L456 HydrophobicContact CD1-CD2 4.21Å; F383-L456 HydrophobicContact CD2-CD1 3.98Å; F383-L456 HydrophobicContact CD2-CD2 4.13Å; F383-L456 HydrophobicContact CE2-CD1 3.93Å; F383-L456 HydrophobicContact CG-CD2 3.89Å; F383-L456 HydrophobicContact CZ-CD1 4.45Å; L421-L456 HydrophobicContact CD2-CD2 3.88Å; Q434-L456 CarbonylContact C-O 3.59Å; Q434-L456 WeakPolarHBondContact CA-O 3.04Å; L435-L456 HydrophobicContact CB-CB 4.47Å; L435-L456 PolarHBondContact N-O 2.76Å; L435-L456 PolarHBondContact O-N 3.22Å; L437-L456 HydrophobicContact CD1-CD2 4.13Å; I454-L456 PolarHBondContact O-N 3.03Å; L456-I458 HydrophobicContact CD2-CD1 4.05Å; L456-I458 HydrophobicContact CD2-CG1 4.08Å; L456-I458 HydrophobicContact CG-CD1 4.44Å; L456-I458 HydrophobicContact CG-CG1 3.95Å
457R95.8Very high91.3Very high71 Ų7151.7 Ų51.727%0.26825%0.246SC..EExtended strand (participates in β ladder)trans-97.4124.3168.8-67.1178.5-175.7162.2-1108.9R368 D369 M370 I433 Q434 Y459R368-R457 PolarHBondContact O-N 3.09Å; D369-R457 CarbonylContact C-O 3.53Å; D369-R457 WeakPolarHBondContact CA-O 3.46Å; D369-R457 WeakPolarHBondContact OD1-CB 3.47Å; M370-R457 PolarHBondContact N-O 3.09Å; I433-R457 CarbonylContact O-C 3.21Å; I433-R457 WeakPolarHBondContact O-CA 3.45Å; Q434-R457 HydrophobicContact CG-CG 4.29Å; R457-Y459 HydrophobicContact CB-CE2 4.32Å
458I95.3Very high91.7Very high0 Ų046 Ų460%021%0.213CC..EExtended strand (participates in β ladder)trans-111.7119.7179.8-52.3180000107.5M370 V372 I382 F409 E432 I433 L435 L456 V460M370-I458 HydrophobicContact CG-CB 4.28Å; M370-I458 HydrophobicContact CG-CG1 3.83Å; M370-I458 HydrophobicContact CG-CG2 4.27Å; M370-I458 CarbonylContact O-C 3.48Å; M370-I458 WeakPolarHBondContact O-CA 2.98Å; M370-I458 HydrophobicContact SD-CD1 4.26Å; M370-I458 HydrophobicContact SD-CG1 3.99Å; V372-I458 HydrophobicContact CB-CG2 4.25Å; V372-I458 HydrophobicContact CG2-CG2 3.66Å; I382-I458 HydrophobicContact CD1-CD1 4.06Å; F409-I458 HydrophobicContact CE1-CD1 4.07Å; F409-I458 HydrophobicContact CZ-CD1 4.01Å; E432-I458 WeakPolarHBondContact CA-O 3.08Å; I433-I458 HydrophobicContact CB-CB 4.36Å; I433-I458 PolarHBondContact N-O 2.92Å; I433-I458 PolarHBondContact O-N 3.37Å; L435-I458 HydrophobicContact CD1-CD1 3.72Å; L435-I458 HydrophobicContact CG-CD1 4.49Å; L456-I458 HydrophobicContact CD2-CD1 4.05Å; L456-I458 HydrophobicContact CD2-CG1 4.08Å; L456-I458 HydrophobicContact CG-CD1 4.44Å; L456-I458 HydrophobicContact CG-CG1 3.95Å; I458-V460 HydrophobicContact CG2-CG2 4.48Å
459Y95.3Very high92Very high14 Ų1444.1 Ų44.16%0.05521%0.206CC..EExtended strand (participates in β ladder)trans-98.1114.5174.3-55.5-70.1000109Y323 L325 K330 D369 M370 D371 V372 E432 R457Y323-Y459 HydrophobicContact CD1-CD2 4.47Å; Y323-Y459 HydrophobicContact CD1-CE2 4.43Å; Y323-Y459 HydrophobicContact CE1-CD2 4.22Å; Y323-Y459 HydrophobicContact CE1-CE2 4.42Å; L325-Y459 HydrophobicContact CD1-CD1 4.41Å; L325-Y459 HydrophobicContact CD1-CD2 4.4Å; L325-Y459 HydrophobicContact CD1-CG 4Å; L325-Y459 HydrophobicContact CD2-CD2 3.61Å; L325-Y459 HydrophobicContact CD2-CG 3.82Å; K330-Y459 HydrophobicContact CD-CD1 4.1Å; K330-Y459 HydrophobicContact CD-CE1 3.43Å; K330-Y459 VanDerWaalsContact CD-CE1 3.43Å; K330-Y459 VanDerWaalsContact NZ-CE1 3.3Å; D369-Y459 HydrophobicContact CB-CE2 3.94Å; D369-Y459 WeakPolarHBondContact OD1-CE2 3.34Å; D369-Y459 PolarHBondContact OD1-OH 2.94Å; M370-Y459 WeakPolarHBondContact O-CD2 3.37Å; M370-Y459 PolarHBondContact O-N 3.33Å; D371-Y459 CarbonylContact C-O 3.59Å; D371-Y459 VanDerWaalsContact CA-O 3.28Å; D371-Y459 WeakPolarHBondContact CA-O 3.04Å; V372-Y459 PolarHBondContact N-O 2.04Å; E432-Y459 HydrophobicContact CB-CD1 4.44Å; E432-Y459 HydrophobicContact CG-CD1 4.02Å; E432-Y459 HydrophobicContact CG-CE1 3.81Å; E432-Y459 WeakPolarHBondContact OE1-CE1 3.31Å; R457-Y459 HydrophobicContact CB-CE2 4.32Å
460V94.5Very high92.2Very high8 Ų835.1 Ų35.15%0.04817%0.174CC..EExtended strand (participates in β ladder)trans-91.6123.3176.3-172.10000108.7V372 I427 P430 R431 I433 I458V372-V460 VanDerWaalsContact O-CA 3.29Å; V372-V460 WeakPolarHBondContact O-CA 3.42Å; I427-V460 HydrophobicContact CB-CG2 4.42Å; I427-V460 HydrophobicContact CG2-CG1 4.38Å; I427-V460 HydrophobicContact CG2-CG2 4.03Å; P430-V460 WeakPolarHBondContact CA-O 3.37Å; R431-V460 HydrophobicContact CB-CB 4.39Å; R431-V460 PolarHBondContact N-O 3.01Å; R431-V460 WeakPolarHBondContact O-CB 3.41Å; R431-V460 PolarHBondContact O-N 3.29Å; I433-V460 HydrophobicContact CD1-CG2 4.41Å; I458-V460 HydrophobicContact CG2-CG2 4.48Å
461S93.1Very high92.4Very high9 Ų936.9 Ų36.96%0.06318%0.18CC..  trans-59.4157.6-179.170.80000111.9V372 V373 S374 G429 Y463V372-S461 PolarHBondContact O-N 3.01Å; V373-S461 WeakPolarHBondContact CA-OG 3.39Å; S374-S461 VanDerWaalsContact CB-O 3.28Å; S374-S461 WeakPolarHBondContact CB-O 3.04Å; S374-S461 PolarHBondContact N-OG 3.02Å; G429-S461 VanDerWaalsContact CA-O 3.23Å; G429-S461 WeakPolarHBondContact CA-O 3.5Å; S461-Y463 PolarHBondContact OG-O 3.27Å
462Q91.8Very high92.3Very high108 Ų10838.1 Ų38.151%0.50518%0.183SC..SBendtrans-68.6-47.5175.5176.4172.4-5.700111.5P430P430-Q462 HydrophobicContact CB-CB 4.31Å
463Y89.3Confident92.2Very high47 Ų4739 Ų3918%0.18418%0.183CC..SBendtrans-98.5143.3-172.4-51.8-75.2000112.1H277 P291 Y294 S374 S461H277-Y463 AromaticContact CE1-CD1 3.84Å; P291-Y463 HydrophobicContact CB-CD1 4.09Å; P291-Y463 HydrophobicContact CB-CD2 3.74Å; P291-Y463 HydrophobicContact CB-CE1 3.9Å; P291-Y463 HydrophobicContact CB-CE2 3.55Å; P291-Y463 HydrophobicContact CB-CG 4.02Å; P291-Y463 HydrophobicContact CG-CD1 4.4Å; P291-Y463 HydrophobicContact CG-CD2 3.74Å; P291-Y463 HydrophobicContact CG-CE2 4.07Å; P291-Y463 HydrophobicContact CG-CG 3.94Å; Y294-Y463 HydrophobicContact CE2-CD2 4.38Å; S374-Y463 WeakPolarHBondContact CB-O 3.03Å; S461-Y463 PolarHBondContact OG-O 3.27Å
464P84.6Confident91.9Very high78 Ų7841.8 Ų41.851%0.50620%0.196SC..  trans-75.7140.5167.232.8-32.3000109.8S374S374-P464 WeakPolarHBondContact O-CA 3.47Å; S374-P464 WeakPolarHBondContact O-CB 3.25Å
465F72.8Confident91.4Very high88 Ų8843.5 Ų43.539%0.38620%0.202SC..  trans-138.10175.8-68.4-77.6000111Q276 P291 Y294 C303 V373Q276-F465 HydrophobicContact CG-CD1 4.22Å; P291-F465 HydrophobicContact CG-CE1 4.22Å; P291-F465 HydrophobicContact CG-CZ 3.68Å; Y294-F465 HydrophobicContact CD1-CE1 4.28Å; Y294-F465 HydrophobicContact CD1-CE2 4.43Å; Y294-F465 AromaticContact CD1-CZ 3.86Å; Y294-F465 HydrophobicContact CD1-CZ 3.86Å; Y294-F465 HydrophobicContact CD2-CE2 4.35Å; Y294-F465 AromaticContact CD2-CZ 3.78Å; Y294-F465 HydrophobicContact CD2-CZ 3.78Å; Y294-F465 HydrophobicContact CE1-CD2 4.35Å; Y294-F465 HydrophobicContact CE1-CE1 4.17Å; Y294-F465 AromaticContact CE1-CE2 3.65Å; Y294-F465 HydrophobicContact CE1-CE2 3.65Å; Y294-F465 AromaticContact CE1-CZ 3.53Å; Y294-F465 HydrophobicContact CE1-CZ 3.53Å; Y294-F465 AromaticContact CE2-CE2 3.51Å; Y294-F465 HydrophobicContact CE2-CE2 3.51Å; Y294-F465 AromaticContact CE2-CZ 3.4Å; Y294-F465 HydrophobicContact CE2-CZ 3.4Å; Y294-F465 VanDerWaalsContact CE2-CZ 3.4Å; Y294-F465 AromaticContact CG-CZ 4Å; Y294-F465 HydrophobicContact CG-CZ 4Å; Y294-F465 AromaticContact CZ-CE2 3.13Å; Y294-F465 AromaticContact CZ-CZ 3.31Å; Y294-F465 WeakPolarHBondContact OH-CE2 3.38Å; C303-F465 HydrophobicContact CB-CE1 4.1Å; V373-F465 HydrophobicContact CG1-CB 4.04Å; V373-F465 HydrophobicContact CG1-CD2 4.39Å

Retrieved 465 of 465 residues in 260.9 ms (Link to these results)