A0A096M5S3_POEFO Loading...

HtrA serine peptidase 1b

Serine protease with a variety of targets, including extracellular matrix proteins and proteoglycans. Through cleavage of proteoglycans, may release soluble FGF-glycosaminoglycan complexes that promote the range and intensity of FGF signals in the extracellular space. Regulates the availability of insulin-like growth factors (IGFs) by cleaving IGF-binding proteins. Inhibits signaling mediated by TGF-beta family members. Consequently, may regulate many physiological processes. Intracellularly, degrades TSC2, leading to the activation of TSC2 downstream targets.

AlphaFold DB , UniProt , Accession A0A096M5S3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 476 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
1M38.2Very low33.2Very low226 Ų226143.5 Ų143.5100%1.11380%0.798SS**  090.60-92.5144.959.100106.7
2Q33.7Very low33.1Very low176 Ų176146.9 Ų146.982%0.82281%0.812SS**  57.8128.687.9-69-167.2-42.700111.4
3L34.2Very low33.1Very low129 Ų129148 Ų14868%0.67581%0.814SS**  cis-172154.710.3-13686.4000108.3
4L35.1Very low33Very low144 Ų144144.2 Ų144.275%0.75481%0.812SS**  trans84.8115.2148.8-63.4153.7000119.8
5F34.7Very low33.1Very low196 Ų196142.6 Ų142.686%0.8681%0.814SS**  cis80.4136.243.2-96.5-75.7000117.9
6L33.3Very low33Very low152 Ų152140.2 Ų140.280%0.79681%0.808SS**  trans88.3115172.8-82.272.6000117
7S30.8Very low32.8Very low106 Ų106139.4 Ų139.474%0.74181%0.811SS**  cis84.2121.341.7-170.50000115.5
8C29.4Very low32.6Very low111 Ų111140.6 Ų140.675%0.7581%0.813SS**  trans137.5110.8142.7-90.70000112.8
9V32.3Very low32.6Very low119 Ų119142.3 Ų142.372%0.72182%0.818SS**  94.4110.773.8165.60000112.4
10T32.1Very low32.4Very low129 Ų129140.7 Ų140.779%0.79182%0.815SS**  trans41.8125.2148.263.80000122
11A31.8Very low32.3Very low91 Ų91141 Ų14175%0.75281%0.809SS**  -160.2103.5129.500000110.8L13A11-L13 PolarHBondContact O-N 2.97Å
12L32Very low31.9Very low184 Ų184134.5 Ų134.596%0.96379%0.792SS**  trans-72111.6161.7-95.1131.2000108
13L32.5Very low31.8Very low161 Ų161136.1 Ų136.184%0.84379%0.79SS**  trans-94.2103.3167.6-84.5163000108.9A11 S15A11-L13 PolarHBondContact O-N 2.97Å; L13-S15 PolarHBondContact O-N 3.46Å
14A32.8Very low31.8Very low95 Ų95135.5 Ų135.579%0.78579%0.792SS**  trans-66.5111.4164.800000109S16A14-S16 PolarHBondContact O-N 2.64Å
15S33.1Very low31.8Very low120 Ų120133.4 Ų133.484%0.83980%0.795SS**  trans-82.4100.4164.1-830000108.8L13 C17L13-S15 PolarHBondContact O-N 3.46Å; S15-C17 PolarHBondContact O-N 3.22Å
16S32.6Very low32Very low104 Ų104132 Ų13273%0.72779%0.789SS**  trans-64.2105.2163.334.50000109.3A14 L18A14-S16 PolarHBondContact O-N 2.64Å; S16-L18 PolarHBondContact O-N 3.11Å
17C29.1Very low32.4Very low127 Ų127136.1 Ų136.186%0.85879%0.793SS**  trans-63.6100.2163.3-91.60000108.6S15 L19S15-C17 PolarHBondContact O-N 3.22Å; C17-L19 PolarHBondContact O-N 3.46Å; C17-L19 VanDerWaalsContact O-N 3.15Å
18L30.2Very low32.8Very low161 Ų161140.7 Ų140.784%0.84380%0.8SS**  trans-64.1107.7162.9-79157000107.9S16 S20S16-L18 PolarHBondContact O-N 3.11Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 3.45Å
19L32Very low33.8Very low172 Ų172137 Ų13790%0.90178%0.778SS**  trans-57.297.6160.8-87150.6000107.7C17 E21C17-L19 PolarHBondContact O-N 3.46Å; C17-L19 VanDerWaalsContact O-N 3.15Å; L19-E21 PolarHBondContact O-N 3Å; L19-E21 VanDerWaalsContact O-N 3.12Å
20S29.2Very low34.8Very low110 Ų110139.1 Ų139.177%0.76978%0.783SS**  trans-72.499.9164.9-170.60000106.8L18 A22L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 3.45Å; S20-A22 PolarHBondContact O-N 3.46Å
21E30.1Very low36.4Very low147 Ų147140.7 Ų140.769%0.68779%0.787SS**  trans-55.9103.9161.7-79.4-172.616100107.7L19 R23L19-E21 PolarHBondContact O-N 3Å; L19-E21 VanDerWaalsContact O-N 3.12Å; E21-R23 PolarHBondContact O-N 3.4Å; E21-R23 IonicContact OE2-NE 3.3Å; E21-R23 IonicContact OE2-NH2 3Å
22A30.1Very low38.5Very low90 Ų90138.5 Ų138.574%0.74477%0.766SS**  trans-67.483.2166.500000108.4S20 V24S20-A22 PolarHBondContact O-N 3.46Å; A22-V24 VanDerWaalsContact C-N 3.3Å; A22-V24 PolarHBondContact O-N 2.85Å
23R30.5Very low40.8Very low211 Ų211133.9 Ų133.980%0.79675%0.747SS**  trans-67.195.3164.3-75.3-175.3-175.21770.6107.6E21 A25E21-R23 PolarHBondContact O-N 3.4Å; E21-R23 IonicContact OE2-NE 3.3Å; E21-R23 IonicContact OE2-NH2 3Å; R23-A25 VanDerWaalsContact C-N 3.31Å; R23-A25 PolarHBondContact O-N 3.06Å
24V34Very low43Very low116 Ų116135.9 Ų135.970%0.70375%0.752SS**  trans-6299161.9178.70000106.5A22 K26A22-V24 VanDerWaalsContact C-N 3.3Å; A22-V24 PolarHBondContact O-N 2.85Å; V24-K26 VanDerWaalsContact C-N 3.26Å; V24-K26 HydrophobicContact CG1-CG 4.17Å; V24-K26 PolarHBondContact O-N 3.25Å
25A36.2Very low45.4Very low100 Ų100142 Ų14283%0.82675%0.754SS**  trans-65.689.3168.500000108.4R23R23-A25 VanDerWaalsContact C-N 3.31Å; R23-A25 PolarHBondContact O-N 3.06Å
26K38Very low47.8Very low166 Ų166139.2 Ų139.272%0.72274%0.735SS**  trans-73129.9166.3-85.6-177.7178.8178.60107.7V24 F28V24-K26 VanDerWaalsContact C-N 3.26Å; V24-K26 HydrophobicContact CG1-CG 4.17Å; V24-K26 PolarHBondContact O-N 3.25Å; K26-F28 PolarHBondContact O-N 3.16Å
27R41.8Very low50.4Low238 Ų238137.7 Ų137.790%0.89872%0.718SS**  trans-44.3133.3-179.6-67.7172.5176.9178.3-2.7110.8A29R27-A29 PolarHBondContact O-N 3.32Å
28F40.3Very low53.1Low202 Ų202139.2 Ų139.289%0.88671%0.71SS**  trans-42.3108.9164.7-70.9-93.3000109.6K26 I30K26-F28 PolarHBondContact O-N 3.16Å; F28-I30 PolarHBondContact O-N 3.12Å
29A48.4Very low55.7Low34 Ų34136.4 Ų136.428%0.28170%0.704SS.*  trans-60.2127.1143.900000105.3R27 D31 C32R27-A29 PolarHBondContact O-N 3.32Å; A29-D31 PolarHBondContact O-N 2.85Å; A29-C32 WeakPolarHBondContact CB-SG 3.4Å; A29-C32 PolarHBondContact O-N 3.48Å
30I55Low58.3Low163 Ų163135.5 Ų135.584%0.83670%0.695SS**THydrogen-bonded Turntrans-58.2126.1179.3-60.1166.2000105.9F28F28-I30 PolarHBondContact O-N 3.12Å
31D66Low61Low162 Ų162131.1 Ų131.187%0.86667%0.665SS**THydrogen-bonded Turntrans76.125.5-178.3-72.6-24.3000120.2A29A29-D31 PolarHBondContact O-N 2.85Å
32C74.5Confident63.7Low46 Ų46128.4 Ų128.431%0.31166%0.66SS.*  trans-78.5134.9167.8-66.20000113.1A29 C57A29-C32 WeakPolarHBondContact CB-SG 3.4Å; A29-C32 PolarHBondContact O-N 3.48Å; C32-C57 VanDerWaalsContact CA-SG 3.5Å; C32-C57 HydrophobicContact CB-CB 3.75Å; C32-C57 WeakPolarHBondContact CB-SG 3.32Å; C32-C57 WeakPolarHBondContact SG-CA 3.13Å; C32-C57 WeakPolarHBondContact SG-CB 3.05Å; C32-C57 CovalentContact SG-SG 2.03Å; C32-C57 PolarHBondContact SG-SG 2.73Å
33P79.8Confident66.2Low86 Ų86132.6 Ų132.656%0.55866%0.664SS**  trans-66.6143.9176.627.2-33.5000111.8R35P33-R35 PolarHBondContact O-N 3.16Å
34E79.5Confident68.7Low204 Ų204125.3 Ų125.395%0.95364%0.64SS**SBendtrans-61.5-25.2179.5-71.8-166.3161.100113.5
35R82.9Confident71Confident222 Ų222122.9 Ų122.984%0.83863%0.627SS**SBendtrans-130131.5174.6-69.9-175.1-179.5-174.30.5109.9P33 D37P33-R35 PolarHBondContact O-N 3.16Å; R35-D37 PolarHBondContact O-N 2.86Å
36C84.5Confident72.8Confident63 Ų63122.3 Ų122.343%0.42662%0.622SS.*  trans-74.2113.5173.6176.50000110.7C59C36-C59 WeakPolarHBondContact CA-SG 3.41Å; C36-C59 HydrophobicContact CB-CB 3.65Å; C36-C59 WeakPolarHBondContact CB-SG 3.16Å; C36-C59 WeakPolarHBondContact SG-CA 3.39Å; C36-C59 WeakPolarHBondContact SG-CB 3.43Å; C36-C59 CovalentContact SG-SG 2.02Å; C36-C59 PolarHBondContact SG-SG 2.6Å
37D87.3Confident74.7Confident71 Ų71120.5 Ų120.538%0.3862%0.62SS.*  trans-100.499.4169.3-175.8-2.4000110.1R35 S39 Q40R35-D37 PolarHBondContact O-N 2.86Å; D37-S39 VanDerWaalsContact CG-OG 3.27Å; D37-S39 PolarHBondContact O-N 2.85Å; D37-S39 WeakPolarHBondContact OD1-CB 3.34Å; D37-S39 PolarHBondContact OD1-N 2.88Å; D37-S39 PolarHBondContact OD1-OG 3.11Å; D37-S39 PolarHBondContact OD2-OG 3.21Å; D37-Q40 HydrophobicContact CB-CG 4.44Å; D37-Q40 PolarHBondContact O-N 2.78Å; D37-Q40 PolarHBondContact OD2-NE2 3.33Å
38K84Confident76.7Confident159 Ų159109.6 Ų109.669%0.69158%0.58SS**G310 helixtrans-65-19.7-178.3-67.3-173176.2-173.90113.8Q40 C41K38-Q40 PolarHBondContact O-N 3.06Å; K38-C41 PolarHBondContact O-N 2.85Å
39S85.4Confident78.8Confident102 Ų102102.2 Ų102.271%0.71355%0.55SS*.G310 helixtrans-71.7-19.9179.871.90000112.9D37D37-S39 VanDerWaalsContact CG-OG 3.27Å; D37-S39 PolarHBondContact O-N 2.85Å; D37-S39 WeakPolarHBondContact OD1-CB 3.34Å; D37-S39 PolarHBondContact OD1-N 2.88Å; D37-S39 PolarHBondContact OD1-OG 3.11Å; D37-S39 PolarHBondContact OD2-OG 3.21Å
40Q86.1Confident80.4Confident153 Ų153101.7 Ų101.772%0.71555%0.545SS*.G310 helixtrans-961.5-180-60.5-174.825.300113D37 K38D37-Q40 HydrophobicContact CB-CG 4.44Å; D37-Q40 PolarHBondContact O-N 2.78Å; D37-Q40 PolarHBondContact OD2-NE2 3.33Å; K38-Q40 PolarHBondContact O-N 3.06Å
41C87.7Confident81.8Confident19 Ų1995 Ų9513%0.12852%0.517CS..PPolyproline II helixtrans-68.4138-178.7-67.30000111.5K38 C60K38-C41 PolarHBondContact O-N 2.85Å; C41-C60 WeakPolarHBondContact CA-SG 3.32Å; C41-C60 HydrophobicContact CB-CB 3.66Å; C41-C60 WeakPolarHBondContact CB-SG 3.4Å; C41-C60 WeakPolarHBondContact SG-CA 3.26Å; C41-C60 WeakPolarHBondContact SG-CB 3.47Å; C41-C60 CovalentContact SG-SG 2.04Å; C41-C60 PolarHBondContact SG-SG 2.85Å
42P85Confident82.9Confident90 Ų9092.1 Ų92.158%0.58450%0.502SS*.PPolyproline II helixtrans-61.8148.9173.227.4-33.5000110.2
43Q83.6Confident83.5Confident177 Ų17791.2 Ų91.283%0.82749%0.494SS*.PPolyproline II helixtrans-66.4135.7172-67.2-64-56.400109.4
44I82.6Confident83.9Confident59 Ų5990.4 Ų90.430%0.30349%0.485SS..PPolyproline II helixtrans-65.2133.5179.3-54.9172.9000108.5A46 C48 D52 P61I44-A46 PolarHBondContact O-N 2.6Å; I44-C48 HydrophobicContact CG2-CB 3.79Å; I44-D52 HydrophobicContact CD1-CB 3.77Å; I44-P61 HydrophobicContact CD1-CB 3.67Å; I44-P61 HydrophobicContact CD1-CG 3.92Å; I44-P61 HydrophobicContact CG1-CB 4.22Å; I44-P61 HydrophobicContact CG1-CG 4.16Å
45P81.8Confident84.2Confident65 Ų6582.3 Ų82.342%0.42245%0.448SS..PPolyproline II helixtrans-52138.5177.1-28.735.9000113.3D47 C48P45-D47 WeakPolarHBondContact CB-OD1 3.3Å; P45-D47 PolarHBondContact O-N 3.14Å; P45-C48 VanDerWaalsContact O-CB 3.22Å; P45-C48 WeakPolarHBondContact O-CB 3.28Å; P45-C48 PolarHBondContact O-N 3.21Å
46A74.1Confident84.1Confident88 Ų8876.8 Ų76.873%0.72744%0.444SS*.THydrogen-bonded Turntrans-64-23.9-177.300000112.7I44 C48 K137I44-A46 PolarHBondContact O-N 2.6Å; A46-C48 VanDerWaalsContact C-N 3.28Å; A46-C48 PolarHBondContact O-N 3.17Å; A46-K137 VanDerWaalsContact O-CD 3.26Å; A46-K137 WeakPolarHBondContact O-CD 3.47Å; A46-K137 WeakPolarHBondContact O-CE 3.47Å; A46-K137 PolarHBondContact O-NZ 2.9Å
47D78.6Confident84.1Confident128 Ų12876 Ų7668%0.68444%0.438SS*.THydrogen-bonded Turntrans-83.44.5176.760.9-24.5000114.1P45 L49P45-D47 WeakPolarHBondContact CB-OD1 3.3Å; P45-D47 PolarHBondContact O-N 3.14Å; D47-L49 WeakPolarHBondContact O-CG 3.49Å; D47-L49 PolarHBondContact O-N 2.72Å
48C84.6Confident83.9Confident8 Ų878.2 Ų78.25%0.05445%0.45CS..  trans-71.789.4178.8-168.10000113.3I44 P45 A46 G51 C63 K137I44-C48 HydrophobicContact CG2-CB 3.79Å; P45-C48 VanDerWaalsContact O-CB 3.22Å; P45-C48 WeakPolarHBondContact O-CB 3.28Å; P45-C48 PolarHBondContact O-N 3.21Å; A46-C48 VanDerWaalsContact C-N 3.28Å; A46-C48 PolarHBondContact O-N 3.17Å; C48-G51 PolarHBondContact SG-O 2.91Å; C48-C63 WeakPolarHBondContact CA-SG 3.43Å; C48-C63 HydrophobicContact CB-CB 3.76Å; C48-C63 WeakPolarHBondContact CB-SG 3.39Å; C48-C63 WeakPolarHBondContact SG-CA 3.21Å; C48-C63 WeakPolarHBondContact SG-CB 3.35Å; C48-C63 CovalentContact SG-SG 2.04Å; C48-C63 PolarHBondContact SG-SG 3.27Å; C48-K137 WeakPolarHBondContact O-CE 3.07Å; C48-K137 PolarHBondContact O-NZ 3.33Å
49L83Confident84.1Confident47 Ų4771.1 Ų71.125%0.24642%0.42CS..  trans-90.8-21.4-173.7-60.8-176000114D47 G51 R130 N133 R134 K137D47-L49 WeakPolarHBondContact O-CG 3.49Å; D47-L49 PolarHBondContact O-N 2.72Å; L49-G51 VanDerWaalsContact C-N 3.31Å; L49-R130 HydrophobicContact CB-CG 3.77Å; L49-R130 HydrophobicContact CD1-CG 4.49Å; L49-N133 WeakPolarHBondContact O-CB 3.38Å; L49-N133 PolarHBondContact O-ND2 3.16Å; L49-R134 HydrophobicContact CD1-CB 4.26Å; L49-R134 HydrophobicContact CD1-CG 4.31Å; L49-R134 HydrophobicContact CD2-CB 3.81Å; L49-R134 HydrophobicContact CD2-CG 4.11Å; L49-K137 HydrophobicContact CD2-CD 4.2Å
50A83Confident84.3Confident23 Ų2367 Ų6719%0.1939%0.391CS..SBendtrans-78.4-16.8-177.900000113A80A50-A80 HydrophobicContact CB-CB 3.81Å; A50-A80 WeakPolarHBondContact O-CB 3.24Å
51G84.6Confident84.4Confident23 Ų2361.6 Ų61.624%0.23737%0.369CS..  trans108.4-178-173.500000111.2C48 L49 A64C48-G51 PolarHBondContact SG-O 2.91Å; L49-G51 VanDerWaalsContact C-N 3.31Å; G51-A64 VanDerWaalsContact O-CB 3.3Å; G51-A64 WeakPolarHBondContact O-CB 3.36Å; G51-A64 PolarHBondContact O-N 3.12Å
52D87.6Confident84.5Confident102 Ų10261.9 Ų61.955%0.54537%0.371SS..EExtended strand (participates in β ladder)trans-111.1146.1-179.761.6-40.9000112.3I44 P61 V62I44-D52 HydrophobicContact CD1-CB 3.77Å; D52-P61 HydrophobicContact CB-CB 4.34Å; D52-V62 WeakPolarHBondContact CA-O 3.45Å
53V88.3Confident84.8Confident26 Ų2659.5 Ų59.516%0.15836%0.356CS..EExtended strand (participates in β ladder)trans-128.4167171.5-71.30000108.3P61 V62 A64 D78V53-P61 CarbonylContact O-C 3.54Å; V53-P61 WeakPolarHBondContact O-CA 3.29Å; V53-V62 HydrophobicContact CG2-CG2 4.06Å; V53-V62 PolarHBondContact N-O 2.85Å; V53-V62 WeakPolarHBondContact O-CG2 3.23Å; V53-V62 PolarHBondContact O-N 3.22Å; V53-A64 HydrophobicContact CB-CB 4.25Å; V53-A64 HydrophobicContact CG1-CB 3.64Å; V53-A64 HydrophobicContact CG2-CB 3.83Å; V53-D78 HydrophobicContact CB-CB 4.2Å; V53-D78 HydrophobicContact CG1-CB 4.21Å; V53-D78 HydrophobicContact CG2-CB 4.07Å
54L88.1Confident85.1Confident69 Ų6951.2 Ų51.236%0.36132%0.317SS..EExtended strand (participates in β ladder)trans-79.7147.2172.6-60.8174.4000110N58 C60L54-N58 WeakPolarHBondContact CD1-OD1 3.24Å; L54-C60 CarbonylContact C-O 3.6Å; L54-C60 WeakPolarHBondContact CA-O 3.49Å
55D85.3Confident85.4Confident35 Ų3548.9 Ų48.919%0.18731%0.306CS..  trans-58.9174.9172.164.418.5000112.7C57 N58 C59 C60 V62D55-C57 PolarHBondContact O-N 2.89Å; D55-C57 VanDerWaalsContact OD1-C 3.25Å; D55-C57 WeakPolarHBondContact OD1-CA 3.09Å; D55-C57 WeakPolarHBondContact OD1-CB 3.31Å; D55-C57 PolarHBondContact OD1-N 2.99Å; D55-N58 WeakPolarHBondContact O-CA 3.09Å; D55-N58 PolarHBondContact O-N 3.43Å; D55-N58 PolarHBondContact OD1-N 2.83Å; D55-C59 PolarHBondContact OD1-N 2.97Å; D55-C60 PolarHBondContact N-O 3.25Å; D55-C60 WeakPolarHBondContact OD2-CB 3.4Å; D55-C60 PolarHBondContact OD2-N 3.31Å; D55-C60 VanDerWaalsContact OD2-N 3.12Å; D55-V62 HydrophobicContact CB-CG1 3.99Å; D55-V62 HydrophobicContact CB-CG2 4.27Å
56S81.1Confident85.8Confident106 Ų10646.2 Ų46.274%0.74129%0.291SS*.THydrogen-bonded Turntrans-61-18177.855.90000114.4N58S56-N58 VanDerWaalsContact C-N 3.32Å
57C84.1Confident86.5Confident45 Ų4545.2 Ų45.230%0.30427%0.271SS..THydrogen-bonded Turntrans-89.2-0.3174.2-59.90000112.6C32 D55 C59C32-C57 VanDerWaalsContact CA-SG 3.5Å; C32-C57 HydrophobicContact CB-CB 3.75Å; C32-C57 WeakPolarHBondContact CB-SG 3.32Å; C32-C57 WeakPolarHBondContact SG-CA 3.13Å; C32-C57 WeakPolarHBondContact SG-CB 3.05Å; C32-C57 CovalentContact SG-SG 2.03Å; C32-C57 PolarHBondContact SG-SG 2.73Å; D55-C57 PolarHBondContact O-N 2.89Å; D55-C57 VanDerWaalsContact OD1-C 3.25Å; D55-C57 WeakPolarHBondContact OD1-CA 3.09Å; D55-C57 WeakPolarHBondContact OD1-CB 3.31Å; D55-C57 PolarHBondContact OD1-N 2.99Å; C57-C59 HydrophobicContact CB-CB 4.41Å; C57-C59 PolarHBondContact O-N 2.89Å
58N83.9Confident87Confident119 Ų11941.8 Ų41.864%0.63627%0.266SS*.SBendtrans56.136.9-177-157.772.4000112.5L54 D55 S56L54-N58 WeakPolarHBondContact CD1-OD1 3.24Å; D55-N58 WeakPolarHBondContact O-CA 3.09Å; D55-N58 PolarHBondContact O-N 3.43Å; D55-N58 PolarHBondContact OD1-N 2.83Å; S56-N58 VanDerWaalsContact C-N 3.32Å
59C87.4Confident87.2Confident9 Ų946.5 Ų46.56%0.06129%0.287CS..  trans-119.1-66.3-172.6179.10000113.6C36 D55 C57C36-C59 WeakPolarHBondContact CA-SG 3.41Å; C36-C59 HydrophobicContact CB-CB 3.65Å; C36-C59 WeakPolarHBondContact CB-SG 3.16Å; C36-C59 WeakPolarHBondContact SG-CA 3.39Å; C36-C59 WeakPolarHBondContact SG-CB 3.43Å; C36-C59 CovalentContact SG-SG 2.02Å; C36-C59 PolarHBondContact SG-SG 2.6Å; D55-C59 PolarHBondContact OD1-N 2.97Å; C57-C59 HydrophobicContact CB-CB 4.41Å; C57-C59 PolarHBondContact O-N 2.89Å
60C89.3Confident87.6Confident16 Ų1650 Ų5011%0.10830%0.302CS..SBendtrans-94.1142-174.2-690000111.8C41 L54 D55 V62C41-C60 WeakPolarHBondContact CA-SG 3.32Å; C41-C60 HydrophobicContact CB-CB 3.66Å; C41-C60 WeakPolarHBondContact CB-SG 3.4Å; C41-C60 WeakPolarHBondContact SG-CA 3.26Å; C41-C60 WeakPolarHBondContact SG-CB 3.47Å; C41-C60 CovalentContact SG-SG 2.04Å; C41-C60 PolarHBondContact SG-SG 2.85Å; L54-C60 CarbonylContact C-O 3.6Å; L54-C60 WeakPolarHBondContact CA-O 3.49Å; D55-C60 PolarHBondContact N-O 3.25Å; D55-C60 WeakPolarHBondContact OD2-CB 3.4Å; D55-C60 PolarHBondContact OD2-N 3.31Å; D55-C60 VanDerWaalsContact OD2-N 3.12Å; C60-V62 PolarHBondContact O-N 2.93Å
61P88.9Confident87.8Confident39 Ų3949 Ų4925%0.25329%0.294SS..EExtended strand (participates in β ladder)trans-72.2130172.732.8-34.5000109.3I44 D52 V53I44-P61 HydrophobicContact CD1-CB 3.67Å; I44-P61 HydrophobicContact CD1-CG 3.92Å; I44-P61 HydrophobicContact CG1-CB 4.22Å; I44-P61 HydrophobicContact CG1-CG 4.16Å; D52-P61 HydrophobicContact CB-CB 4.34Å; V53-P61 CarbonylContact O-C 3.54Å; V53-P61 WeakPolarHBondContact O-CA 3.29Å
62V90.2Very high87.6Confident26 Ų2650.9 Ų50.916%0.15831%0.313CS..EExtended strand (participates in β ladder)trans-128.4161.1178.8-66.50000108.9D52 V53 D55 C60 A64D52-V62 WeakPolarHBondContact CA-O 3.45Å; V53-V62 HydrophobicContact CG2-CG2 4.06Å; V53-V62 PolarHBondContact N-O 2.85Å; V53-V62 WeakPolarHBondContact O-CG2 3.23Å; V53-V62 PolarHBondContact O-N 3.22Å; D55-V62 HydrophobicContact CB-CG1 3.99Å; D55-V62 HydrophobicContact CB-CG2 4.27Å; C60-V62 PolarHBondContact O-N 2.93Å; V62-A64 PolarHBondContact O-N 3.22Å
63C90.1Very high87.3Confident40 Ų4046.6 Ų46.627%0.2729%0.293SS..EExtended strand (participates in β ladder)trans-67.2128-179.9-165.70000111C48C48-C63 WeakPolarHBondContact CA-SG 3.43Å; C48-C63 HydrophobicContact CB-CB 3.76Å; C48-C63 WeakPolarHBondContact CB-SG 3.39Å; C48-C63 WeakPolarHBondContact SG-CA 3.21Å; C48-C63 WeakPolarHBondContact SG-CB 3.35Å; C48-C63 CovalentContact SG-SG 2.04Å; C48-C63 PolarHBondContact SG-SG 3.27Å
64A89.9Confident86.7Confident2 Ų251.3 Ų51.32%0.01732%0.324CS..PPolyproline II helixtrans-74147.7178.600000111.5G51 V53 V62 G66 A80G51-A64 VanDerWaalsContact O-CB 3.3Å; G51-A64 WeakPolarHBondContact O-CB 3.36Å; G51-A64 PolarHBondContact O-N 3.12Å; V53-A64 HydrophobicContact CB-CB 4.25Å; V53-A64 HydrophobicContact CG1-CB 3.64Å; V53-A64 HydrophobicContact CG2-CB 3.83Å; V62-A64 PolarHBondContact O-N 3.22Å; A64-G66 PolarHBondContact O-N 2.94Å; A64-A80 HydrophobicContact CB-CB 3.82Å
65S90.7Very high86.1Confident10 Ų1051.6 Ų51.67%0.0734%0.344CS..BIsolated β-bridgetrans-67.3123.2172.9-71.30000110.1E69 Q70 Q77 D78 A80 C106S65-E69 VanDerWaalsContact CA-OE2 3.3Å; S65-E69 WeakPolarHBondContact CA-OE2 3.45Å; S65-Q70 PolarHBondContact OG-O 2.93Å; S65-Q70 VanDerWaalsContact OG-O 3.07Å; S65-Q77 PolarHBondContact OG-O 3.02Å; S65-D78 PolarHBondContact N-O 2.71Å; S65-A80 PolarHBondContact O-N 3.5Å; S65-C106 WeakPolarHBondContact CB-SG 3.47Å
66G89.3Confident85.9Confident9 Ų952.3 Ų52.39%0.09335%0.347CS..PPolyproline II helixtrans-78.3171.3177.300000113.6A64 G68 E69 C106A64-G66 PolarHBondContact O-N 2.94Å; G66-G68 PolarHBondContact O-N 2.97Å; G66-E69 PolarHBondContact N-OE2 3.43Å; G66-E69 WeakPolarHBondContact O-CB 3.4Å; G66-E69 PolarHBondContact O-N 3.28Å; G66-C106 WeakPolarHBondContact O-CB 3.3Å
67E89.7Confident86.1Confident68 Ų6850.5 Ų50.532%0.31833%0.327SS..THydrogen-bonded Turntrans-59.9122.6178.3-176.6169.4-147.200110.7M83 C106 C108 N124E67-M83 HydrophobicContact CB-CE 3.9Å; E67-M83 HydrophobicContact CB-SD 4.1Å; E67-M83 PolarHBondContact N-SD 3.3Å; E67-M83 VanDerWaalsContact N-SD 3.39Å; E67-C106 WeakPolarHBondContact CA-O 3.31Å; E67-C108 WeakPolarHBondContact OE1-CB 3.43Å; E67-C108 PolarHBondContact OE1-N 3.17Å; E67-N124 PolarHBondContact OE1-ND2 2.85Å; E67-N124 VanDerWaalsContact OE1-ND2 3.12Å; E67-N124 PolarHBondContact OE2-ND2 3.48Å
68G87.9Confident86.4Confident56 Ų5653.5 Ų53.558%0.57734%0.34SS*.THydrogen-bonded Turntrans96.8-8.2-174.300000115.3G66 V105 C106G66-G68 PolarHBondContact O-N 2.97Å; G68-V105 VanDerWaalsContact C-CG1 3.41Å; G68-V105 VanDerWaalsContact CA-CG1 3.44Å; G68-C106 PolarHBondContact N-O 3.44Å
69E89.7Confident86.7Confident106 Ų10648.9 Ų48.950%0.49532%0.317SS..SBendtrans-89.4159178.3-63-176.9165.600112.5S65 G66 V105 C106S65-E69 VanDerWaalsContact CA-OE2 3.3Å; S65-E69 WeakPolarHBondContact CA-OE2 3.45Å; G66-E69 PolarHBondContact N-OE2 3.43Å; G66-E69 WeakPolarHBondContact O-CB 3.4Å; G66-E69 PolarHBondContact O-N 3.28Å; E69-V105 CarbonylContact O-C 3.56Å; E69-V105 VanDerWaalsContact O-CA 3.31Å; E69-V105 WeakPolarHBondContact O-CA 3.29Å; E69-C106 PolarHBondContact O-N 2.9Å
70Q89.6Confident86.8Confident122 Ų12248.6 Ų48.657%0.5732%0.315SS*.EExtended strand (participates in β ladder)trans-71.5146.8-176.2-66.8174.438.600111.8S65 G104S65-Q70 PolarHBondContact OG-O 2.93Å; S65-Q70 VanDerWaalsContact OG-O 3.07Å; Q70-G104 WeakPolarHBondContact CA-O 3.48Å
71C88.8Confident86.7Confident2 Ų255.2 Ų55.21%0.01434%0.344CS..EExtended strand (participates in β ladder)trans-150.8158.4179.460.30000112G73 C79 C85 G104 V105 C106C71-G73 PolarHBondContact O-N 2.79Å; C71-C79 VanDerWaalsContact CB-SG 3.57Å; C71-C79 VanDerWaalsContact SG-SG 3.69Å; C71-C85 HydrophobicContact CB-CB 3.8Å; C71-C85 WeakPolarHBondContact CB-SG 3.42Å; C71-C85 PolarHBondContact O-SG 2.94Å; C71-C85 VanDerWaalsContact O-SG 3.38Å; C71-C85 WeakPolarHBondContact SG-CA 3.09Å; C71-C85 WeakPolarHBondContact SG-CB 3.29Å; C71-C85 CovalentContact SG-SG 2.02Å; C71-C85 PolarHBondContact SG-SG 2.73Å; C71-G104 PolarHBondContact N-O 3.22Å; C71-G104 PolarHBondContact O-N 2.67Å; C71-V105 PolarHBondContact SG-N 3Å; C71-C106 VanDerWaalsContact CB-SG 3.54Å
72G80.3Confident86.6Confident62 Ų6255.1 Ų55.164%0.63935%0.35SS*.SBendtrans76-3.817200000115.8
73G80.9Confident86.6Confident11 Ų1155.2 Ų55.211%0.11335%0.35CS..SBendtrans-86.7167.216900000113.5C71 G75 D76C71-G73 PolarHBondContact O-N 2.79Å; G73-G75 PolarHBondContact O-N 2.99Å; G73-D76 WeakPolarHBondContact CA-OD2 3.33Å; G73-D76 PolarHBondContact N-OD2 3.42Å; G73-D76 PolarHBondContact O-N 3.4Å
74P74.9Confident86.7Confident126 Ų12657.6 Ų57.682%0.81836%0.357SS*.THydrogen-bonded Turntrans-65.3114.2176.1-16.130.2000111.3
75G75.4Confident86.7Confident75 Ų7560.3 Ų60.377%0.77338%0.375SS*.THydrogen-bonded Turntrans94-3.4-17900000114.8G73G73-G75 PolarHBondContact O-N 2.99Å
76D81.9Confident86.6Confident49 Ų4965.9 Ų65.926%0.26239%0.394SS..PPolyproline II helixtrans-75.7146.4173.3-61.5-19.7000110.6G73G73-D76 WeakPolarHBondContact CA-OD2 3.33Å; G73-D76 PolarHBondContact N-OD2 3.42Å; G73-D76 PolarHBondContact O-N 3.4Å
77Q85.8Confident86.3Confident68 Ų6869.1 Ų69.132%0.31841%0.412SS..PPolyproline II helixtrans-80.2158.2174-59.3-61.8-11.600111.5S65S65-Q77 PolarHBondContact OG-O 3.02Å
78D88.9Confident85Confident109 Ų10971.7 Ų71.758%0.58343%0.433SS*.PPolyproline II helixtrans-68.2146.7172.7-80-19000110.7V53 S65V53-D78 HydrophobicContact CB-CB 4.2Å; V53-D78 HydrophobicContact CG1-CB 4.21Å; V53-D78 HydrophobicContact CG2-CB 4.07Å; S65-D78 PolarHBondContact N-O 2.71Å
79C90.5Very high83.5Confident21 Ų2173.9 Ų73.914%0.14243%0.431CS..BIsolated β-bridgetrans-64.2147.8176.9-610000111.5C71 M83 C106C71-C79 VanDerWaalsContact CB-SG 3.57Å; C71-C79 VanDerWaalsContact SG-SG 3.69Å; C79-M83 HydrophobicContact CB-CB 3.89Å; C79-C106 WeakPolarHBondContact CA-SG 3.35Å; C79-C106 HydrophobicContact CB-CB 3.8Å; C79-C106 WeakPolarHBondContact CB-SG 3.4Å; C79-C106 WeakPolarHBondContact SG-CA 3.4Å; C79-C106 WeakPolarHBondContact SG-CB 3.36Å; C79-C106 CovalentContact SG-SG 2.03Å; C79-C106 PolarHBondContact SG-SG 2.8Å
80A89.6Confident81.6Confident3 Ų372.9 Ų72.93%0.02545%0.45CS..PPolyproline II helixtrans-59.4159.3176.600000114.1A50 A64 S65 G82 M83A50-A80 HydrophobicContact CB-CB 3.81Å; A50-A80 WeakPolarHBondContact O-CB 3.24Å; A64-A80 HydrophobicContact CB-CB 3.82Å; S65-A80 PolarHBondContact O-N 3.5Å; A80-G82 PolarHBondContact O-N 3.48Å; A80-M83 HydrophobicContact CB-CE 4Å; A80-M83 HydrophobicContact CB-CG 4.47Å; A80-M83 HydrophobicContact CB-SD 3.9Å; A80-M83 VanDerWaalsContact O-CB 3.32Å; A80-M83 WeakPolarHBondContact O-CB 3.46Å; A80-M83 PolarHBondContact O-N 2.78Å
81E87.4Confident79.4Confident155 Ų15572.2 Ų72.272%0.72445%0.453SS*.THydrogen-bonded Turntrans-56.1120.8-178.4-170-151.9-166.400112.5K129E81-K129 PolarHBondContact O-NZ 3.29Å; E81-K129 IonicContact OE2-NZ 3.28Å; E81-K129 PolarHBondContact OE2-NZ 3.08Å
82G86.3Confident77.2Confident37 Ų3781.7 Ų81.738%0.38150%0.497SS..THydrogen-bonded Turntrans89.614.2-177.100000114.1A80 S109 C126A80-G82 PolarHBondContact O-N 3.48Å; G82-S109 WeakPolarHBondContact O-CB 3.46Å; G82-S109 PolarHBondContact O-N 3Å; G82-S109 PolarHBondContact O-OG 3.22Å; G82-C126 PolarHBondContact O-SG 3.48Å
83M91.6Very high75.4Confident29 Ų2982.5 Ų82.514%0.14349%0.49CS..EExtended strand (participates in β ladder)trans-116.7156171.1-57.7-177.9-171.900111.5E67 C79 A80 C106 V107 C126E67-M83 HydrophobicContact CB-CE 3.9Å; E67-M83 HydrophobicContact CB-SD 4.1Å; E67-M83 PolarHBondContact N-SD 3.3Å; E67-M83 VanDerWaalsContact N-SD 3.39Å; C79-M83 HydrophobicContact CB-CB 3.89Å; A80-M83 HydrophobicContact CB-CE 4Å; A80-M83 HydrophobicContact CB-CG 4.47Å; A80-M83 HydrophobicContact CB-SD 3.9Å; A80-M83 VanDerWaalsContact O-CB 3.32Å; A80-M83 WeakPolarHBondContact O-CB 3.46Å; A80-M83 PolarHBondContact O-N 2.78Å; M83-C106 HydrophobicContact SD-CB 4.24Å; M83-V107 CarbonylContact C-O 3.58Å; M83-V107 VanDerWaalsContact CA-O 3.25Å; M83-V107 WeakPolarHBondContact CA-O 3.37Å; M83-V107 WeakPolarHBondContact CB-O 3.06Å; M83-C126 HydrophobicContact CE-CB 3.67Å
84E91.3Very high73.5Confident90 Ų9086.1 Ų86.142%0.42151%0.513SS..EExtended strand (participates in β ladder)trans-121.9139.4175.8-74.4164.8-16200110.5R86 V107 S109E84-R86 PolarHBondContact O-N 3.02Å; E84-R86 IonicContact OE2-NE 2.91Å; E84-R86 IonicContact OE2-NH2 2.81Å; E84-R86 PolarHBondContact OE2-NH2 3.49Å; E84-V107 PolarHBondContact N-O 2.87Å; E84-V107 PolarHBondContact O-N 2.93Å; E84-S109 PolarHBondContact OE1-OG 3.22Å
85C89.8Confident72Confident58 Ų5884.9 Ų84.939%0.39251%0.514SS..EExtended strand (participates in β ladder)trans-76.7109.7171.7-172.20000110.3C71C71-C85 HydrophobicContact CB-CB 3.8Å; C71-C85 WeakPolarHBondContact CB-SG 3.42Å; C71-C85 PolarHBondContact O-SG 2.94Å; C71-C85 VanDerWaalsContact O-SG 3.38Å; C71-C85 WeakPolarHBondContact SG-CA 3.09Å; C71-C85 WeakPolarHBondContact SG-CB 3.29Å; C71-C85 CovalentContact SG-SG 2.02Å; C71-C85 PolarHBondContact SG-SG 2.73Å
86R88.6Confident70.5Confident128 Ų12887.2 Ų87.248%0.48351%0.514SS..EExtended strand (participates in β ladder)trans-107.7130.2179.7-67-169.4177.4-176.51.3111.3E84 G104 V105 V107E84-R86 PolarHBondContact O-N 3.02Å; E84-R86 IonicContact OE2-NE 2.91Å; E84-R86 IonicContact OE2-NH2 2.81Å; E84-R86 PolarHBondContact OE2-NH2 3.49Å; R86-G104 CarbonylContact O-C 3.39Å; R86-G104 VanDerWaalsContact O-CA 3.28Å; R86-G104 WeakPolarHBondContact O-CA 3.45Å; R86-V105 PolarHBondContact N-O 3.44Å; R86-V105 PolarHBondContact O-N 2.68Å; R86-V107 HydrophobicContact CB-CG2 4.14Å; R86-V107 HydrophobicContact CG-CB 4.37Å; R86-V107 HydrophobicContact CG-CG2 4.3Å
87V82.5Confident68.6Low76 Ų7688.3 Ų88.346%0.46152%0.522SS..  trans-94.3129.4175.1-173.10000108.4D89 R102V87-D89 PolarHBondContact O-N 2.53Å; V87-D89 VanDerWaalsContact O-N 3.14Å; V87-R102 HydrophobicContact CG1-CB 4.22Å
88T63.6Low66.7Low122 Ų12296.2 Ų96.275%0.74855%0.549SS*.SBendtrans-75.44.5-168.436.20000116.1
89D56.2Low64.6Low102 Ų102100.4 Ų100.455%0.54556%0.556SS.*SBendtrans-106.584.3-178-79.3-10.9000113.1V87 V91 R102V87-D89 PolarHBondContact O-N 2.53Å; V87-D89 VanDerWaalsContact O-N 3.14Å; D89-V91 VanDerWaalsContact C-N 3.3Å; D89-V91 PolarHBondContact O-N 3.18Å; D89-R102 IonicContact OD2-CZ 3.82Å; D89-R102 IonicContact OD2-NH1 3.76Å; D89-R102 PolarHBondContact OD2-NH1 3.1Å
90G49.5Very low62.5Low86 Ų86110.9 Ų110.989%0.88759%0.593SS**SBendtrans499.7136.700000123.3
91V44.6Very low60.8Low107 Ų107113.9 Ų113.965%0.64863%0.625SS**  trans-136.4120.6174.7-174.10000109.5D89 V93D89-V91 VanDerWaalsContact C-N 3.3Å; D89-V91 PolarHBondContact O-N 3.18Å; V91-V93 HydrophobicContact CB-CG2 4.46Å; V91-V93 HydrophobicContact CG1-CG2 4.41Å; V91-V93 WeakPolarHBondContact O-CG2 3.24Å; V91-V93 PolarHBondContact O-N 2.92Å
92E41.5Very low59.5Low201 Ų201113.8 Ų113.894%0.93962%0.618SS**  trans-61102.5166.5-79-173.715500108.8
93V42.1Very low58.9Low79 Ų79115.1 Ų115.148%0.47962%0.621SS.*  trans-93.9105.9176.7-164.10000108.4V91 V97V91-V93 HydrophobicContact CB-CG2 4.46Å; V91-V93 HydrophobicContact CG1-CG2 4.41Å; V91-V93 WeakPolarHBondContact O-CG2 3.24Å; V91-V93 PolarHBondContact O-N 2.92Å; V93-V97 HydrophobicContact CG1-CB 3.55Å; V93-V97 HydrophobicContact CG1-CG1 4.01Å; V93-V97 WeakPolarHBondContact CG1-O 3.5Å
94S41.4Very low58.7Low87 Ų87113.9 Ų113.961%0.60862%0.615SS**  trans-49.7149.4166.1174.60000111.5T96 V97S94-T96 PolarHBondContact O-N 2.97Å; S94-V97 PolarHBondContact O-N 3.24Å
95A43.8Very low58.7Low101 Ų101111.9 Ų111.984%0.83561%0.609SS**THydrogen-bonded Turntrans-53.4-3.7-171.200000116.6
96T43.3Very low58.8Low124 Ų124109.1 Ų109.176%0.76159%0.591SS**THydrogen-bonded Turntrans-103.6-3.7-177.338.10000115.4S94S94-T96 PolarHBondContact O-N 2.97Å
97V41.6Very low59Low72 Ų72105.3 Ų105.344%0.43658%0.581SS.*  trans-116.372.4176.6-179.30000110.5V93 S94 R99V93-V97 HydrophobicContact CG1-CB 3.55Å; V93-V97 HydrophobicContact CG1-CG1 4.01Å; V93-V97 WeakPolarHBondContact CG1-O 3.5Å; S94-V97 PolarHBondContact O-N 3.24Å; V97-R99 VanDerWaalsContact C-N 3.27Å; V97-R99 HydrophobicContact CG1-CG 3.67Å; V97-R99 PolarHBondContact O-N 2.9Å
98R45.8Very low59.5Low233 Ų233101.9 Ų101.988%0.87956%0.561SS**  trans-65.986.9164.3-80.1-176.7173.9165.6-1.3109.3
99R46.4Very low60.8Low198 Ų19898.9 Ų98.975%0.74755%0.545SS*.  trans-79.8124.6176.7-95.3171.1-175.5-170.33.1110.8V97 G101V97-R99 VanDerWaalsContact C-N 3.27Å; V97-R99 HydrophobicContact CG1-CG 3.67Å; V97-R99 PolarHBondContact O-N 2.9Å; R99-G101 PolarHBondContact O-N 2.88Å
100R46Very low62.3Low240 Ų24096 Ų9691%0.90653%0.532SS*.THydrogen-bonded Turntrans-4109.6153.8-68.4173.9174.1173.2-3.1115.7R102R100-R102 PolarHBondContact O-N 3.05Å
101G53.1Low64.1Low67 Ų6796.2 Ų96.269%0.69153%0.526SS*.THydrogen-bonded Turntrans57.538.5141.700000118.4R99R99-G101 PolarHBondContact O-N 2.88Å
102R60Low66.3Low153 Ų15396 Ų9658%0.57752%0.518SS*.  trans-113.5116.5170-70-173.2178.8-161.3-6.9110.1V87 D89 R100V87-R102 HydrophobicContact CG1-CB 4.22Å; D89-R102 IonicContact OD2-CZ 3.82Å; D89-R102 IonicContact OD2-NH1 3.76Å; D89-R102 PolarHBondContact OD2-NH1 3.1Å; R100-R102 PolarHBondContact O-N 3.05Å
103S74.6Confident68.6Low64 Ų6489 Ų8945%0.44849%0.49SS..  trans-64.1129.5172.9-440000109.8
104G87.1Confident71Confident3 Ų385.5 Ų85.53%0.03147%0.469CS..EExtended strand (participates in β ladder)trans-101.4-174.817000000111.5Q70 C71 R86Q70-G104 WeakPolarHBondContact CA-O 3.48Å; C71-G104 PolarHBondContact N-O 3.22Å; C71-G104 PolarHBondContact O-N 2.67Å; R86-G104 CarbonylContact O-C 3.39Å; R86-G104 VanDerWaalsContact O-CA 3.28Å; R86-G104 WeakPolarHBondContact O-CA 3.45Å
105V91.5Very high73.4Confident49 Ų4981.8 Ų81.830%0.29744%0.442SS..EExtended strand (participates in β ladder)trans-124.6138.3175-179.50000109.4G68 E69 C71 R86 V107G68-V105 VanDerWaalsContact C-CG1 3.41Å; G68-V105 VanDerWaalsContact CA-CG1 3.44Å; E69-V105 CarbonylContact O-C 3.56Å; E69-V105 VanDerWaalsContact O-CA 3.31Å; E69-V105 WeakPolarHBondContact O-CA 3.29Å; C71-V105 PolarHBondContact SG-N 3Å; R86-V105 PolarHBondContact N-O 3.44Å; R86-V105 PolarHBondContact O-N 2.68Å; V105-V107 PolarHBondContact O-N 2.8Å
106C91.6Very high75.7Confident0 Ų077 Ų770%040%0.404CS..EExtended strand (participates in β ladder)trans-69.2125.5174.1-64.70000110.5S65 G66 E67 G68 E69 C71 C79 M83S65-C106 WeakPolarHBondContact CB-SG 3.47Å; G66-C106 WeakPolarHBondContact O-CB 3.3Å; E67-C106 WeakPolarHBondContact CA-O 3.31Å; G68-C106 PolarHBondContact N-O 3.44Å; E69-C106 PolarHBondContact O-N 2.9Å; C71-C106 VanDerWaalsContact CB-SG 3.54Å; C79-C106 WeakPolarHBondContact CA-SG 3.35Å; C79-C106 HydrophobicContact CB-CB 3.8Å; C79-C106 WeakPolarHBondContact CB-SG 3.4Å; C79-C106 WeakPolarHBondContact SG-CA 3.4Å; C79-C106 WeakPolarHBondContact SG-CB 3.36Å; C79-C106 CovalentContact SG-SG 2.03Å; C79-C106 PolarHBondContact SG-SG 2.8Å; M83-C106 HydrophobicContact SD-CB 4.24Å
107V92.5Very high78.1Confident47 Ų4773.9 Ų73.929%0.28539%0.387SS..EExtended strand (participates in β ladder)trans-124.9139.7178.3-177.60000108.9M83 E84 R86 V105 S109M83-V107 CarbonylContact C-O 3.58Å; M83-V107 VanDerWaalsContact CA-O 3.25Å; M83-V107 WeakPolarHBondContact CA-O 3.37Å; M83-V107 WeakPolarHBondContact CB-O 3.06Å; E84-V107 PolarHBondContact N-O 2.87Å; E84-V107 PolarHBondContact O-N 2.93Å; R86-V107 HydrophobicContact CB-CG2 4.14Å; R86-V107 HydrophobicContact CG-CB 4.37Å; R86-V107 HydrophobicContact CG-CG2 4.3Å; V105-V107 PolarHBondContact O-N 2.8Å; V107-S109 PolarHBondContact O-N 2.86Å
108C93.1Very high80.4Confident4 Ų473.9 Ų73.93%0.02738%0.384CS..EExtended strand (participates in β ladder)trans-60.7135.5176-164.20000111.2E67 S110 N124 C126E67-C108 WeakPolarHBondContact OE1-CB 3.43Å; E67-C108 PolarHBondContact OE1-N 3.17Å; C108-S110 PolarHBondContact O-N 3.32Å; C108-S110 PolarHBondContact SG-O 3.34Å; C108-N124 HydrophobicContact CB-CB 4.38Å; C108-C126 VanDerWaalsContact CA-SG 3.51Å; C108-C126 HydrophobicContact CB-CB 3.69Å; C108-C126 WeakPolarHBondContact CB-SG 3.4Å; C108-C126 WeakPolarHBondContact SG-CB 3.36Å; C108-C126 PolarHBondContact SG-N 2.92Å; C108-C126 CovalentContact SG-SG 2.03Å; C108-C126 PolarHBondContact SG-SG 2.87Å
109S90.9Very high82.5Confident60 Ų6065.3 Ų65.342%0.4237%0.368SS..SBendtrans-63-24.4179.8-65.10000112.9G82 E84 V107G82-S109 WeakPolarHBondContact O-CB 3.46Å; G82-S109 PolarHBondContact O-N 3Å; G82-S109 PolarHBondContact O-OG 3.22Å; E84-S109 PolarHBondContact OE1-OG 3.22Å; V107-S109 PolarHBondContact O-N 2.86Å
110S87.8Confident84.7Confident40 Ų4059.3 Ų59.328%0.2835%0.353SS..  trans-116.4129.6171.5178.70000110.1C108 E112 N124C108-S110 PolarHBondContact O-N 3.32Å; C108-S110 PolarHBondContact SG-O 3.34Å; S110-E112 PolarHBondContact OG-N 2.92Å; S110-N124 WeakPolarHBondContact O-CB 3.04Å
111A88.4Confident86.9Confident91 Ų9150.6 Ų50.675%0.75233%0.329SS*.  trans-96.44.2172.200000112.7
112E89.1Confident88.8Confident104 Ų10448.3 Ų48.349%0.48630%0.3SS..SBendtrans-77.7135.5-178.2-64.4-172.6161.500111.3S110 R123 N124S110-E112 PolarHBondContact OG-N 2.92Å; E112-R123 CarbonylContact C-O 3.59Å; E112-N124 WeakPolarHBondContact O-CA 3.48Å
113P90.9Very high90.4Very high53 Ų5348.4 Ų48.434%0.34430%0.3SS..  trans-62.8154176.626.6-33.6000111.5Y122 R123 G149P113-Y122 CarbonylContact C-O 3.07Å; P113-Y122 WeakPolarHBondContact CA-O 3.39Å; P113-Y122 WeakPolarHBondContact CB-O 3.36Å; P113-R123 VanDerWaalsContact CA-O 3.28Å; P113-R123 WeakPolarHBondContact CA-O 3.36Å; P113-G149 CarbonylContact O-C 3.53Å; P113-G149 WeakPolarHBondContact O-CA 3.39Å; P113-G149 PolarHBondContact O-N 3.42Å
114V92Very high91.2Very high5 Ų545.7 Ų45.73%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-135.8154.3-178.7-610000111.5S121 Y122 N124 I125 L128 F145 G149V114-S121 CarbonylContact O-C 3.46Å; V114-S121 WeakPolarHBondContact O-CA 3.41Å; V114-Y122 PolarHBondContact N-O 2.85Å; V114-Y122 PolarHBondContact O-N 2.88Å; V114-N124 WeakPolarHBondContact CG2-O 3.42Å; V114-I125 HydrophobicContact CG1-CB 4.32Å; V114-L128 HydrophobicContact CG2-CB 3.88Å; V114-L128 HydrophobicContact CG2-CD1 3.68Å; V114-L128 HydrophobicContact CG2-CG 4.45Å; V114-F145 HydrophobicContact CB-CD2 3.7Å; V114-F145 HydrophobicContact CB-CE2 3.54Å; V114-F145 HydrophobicContact CG1-CD2 3.95Å; V114-F145 HydrophobicContact CG1-CE2 3.46Å; V114-F145 VanDerWaalsContact CG1-CE2 3.46Å; V114-F145 HydrophobicContact CG1-CZ 4.46Å; V114-F145 HydrophobicContact CG2-CD2 4.31Å; V114-G149 CarbonylContact C-O 3.59Å; V114-G149 VanDerWaalsContact CA-O 3.3Å; V114-G149 WeakPolarHBondContact CA-O 2.92Å
115C92.1Very high91.5Very high9 Ų947.8 Ų47.86%0.06129%0.29CS..EExtended strand (participates in β ladder)trans-104.3128.4177.8-178.40000111.1I146 Q147 G149 C151C115-I146 PolarHBondContact O-N 2.91Å; C115-Q147 HydrophobicContact CB-CG 3.43Å; C115-Q147 VanDerWaalsContact CB-CG 3.43Å; C115-Q147 PolarHBondContact N-O 2.94Å; C115-G149 PolarHBondContact N-O 2.95Å; C115-G149 VanDerWaalsContact N-O 3.07Å; C115-C151 WeakPolarHBondContact CA-SG 3.37Å; C115-C151 HydrophobicContact CB-CB 4.02Å; C115-C151 WeakPolarHBondContact CB-SG 3.14Å; C115-C151 WeakPolarHBondContact SG-CA 3.44Å; C115-C151 WeakPolarHBondContact SG-CB 3.12Å; C115-C151 CovalentContact SG-SG 2.03Å; C115-C151 PolarHBondContact SG-SG 2.95Å
116G92.6Very high91.5Very high2 Ų245.7 Ų45.72%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-88162.9174.500000113.8D118 G119 V120 I144G116-D118 VanDerWaalsContact C-OD1 3.31Å; G116-D118 WeakPolarHBondContact CA-OD1 3.48Å; G116-D118 PolarHBondContact O-N 2.9Å; G116-G119 PolarHBondContact O-N 2.83Å; G116-V120 PolarHBondContact N-O 3.4Å; G116-I144 CarbonylContact C-O 3.44Å; G116-I144 WeakPolarHBondContact CA-O 3.28Å
117S92.2Very high91.6Very high58 Ų5847.4 Ų47.441%0.40629%0.286SS..THydrogen-bonded Turntrans-64.9-13.5175.357.50000114.1G119 I144 I146S117-G119 VanDerWaalsContact C-N 3.29Å; S117-I144 PolarHBondContact N-O 2.97Å; S117-I144 PolarHBondContact OG-N 2.89Å; S117-I146 VanDerWaalsContact CA-CG1 3.5Å
118D91.6Very high91.7Very high72 Ų7245.4 Ų45.439%0.38527%0.274SS..THydrogen-bonded Turntrans-84.6-0.6172.258.7-5.8000113.2G116 V120 Y122G116-D118 VanDerWaalsContact C-OD1 3.31Å; G116-D118 WeakPolarHBondContact CA-OD1 3.48Å; G116-D118 PolarHBondContact O-N 2.9Å; D118-V120 HydrophobicContact CB-CG2 4.37Å; D118-V120 PolarHBondContact O-N 2.91Å; D118-V120 PolarHBondContact OD1-N 3.06Å; D118-Y122 PolarHBondContact OD2-OH 2.77Å
119G88.6Confident91.6Very high52 Ų5248.6 Ų48.654%0.53629%0.287SS..SBendtrans75.69.6-176.700000113.9G116 S117 C151G116-G119 PolarHBondContact O-N 2.83Å; S117-G119 VanDerWaalsContact C-N 3.29Å; G119-C151 WeakPolarHBondContact O-CB 3.49Å; G119-C151 PolarHBondContact O-SG 2.82Å
120V92.4Very high91.6Very high72 Ų7251.6 Ų51.644%0.43629%0.289SS..  trans-93.9138.5179.1-178.40000110.3G116 D118 Y122 C151G116-V120 PolarHBondContact N-O 3.4Å; D118-V120 HydrophobicContact CB-CG2 4.37Å; D118-V120 PolarHBondContact O-N 2.91Å; D118-V120 PolarHBondContact OD1-N 3.06Å; V120-Y122 HydrophobicContact CB-CE2 4Å; V120-Y122 HydrophobicContact CG1-CE2 4.25Å; V120-Y122 VanDerWaalsContact O-CD2 3.31Å; V120-Y122 WeakPolarHBondContact O-CD2 3.09Å; V120-Y122 WeakPolarHBondContact O-CE2 3.47Å; V120-C151 PolarHBondContact O-SG 2.89Å
121S92.6Very high91.9Very high57 Ų5752.1 Ų52.140%0.39929%0.291SS..EExtended strand (participates in β ladder)trans-88.2128.4173.5-540000110.2V114 A150 C151V114-S121 CarbonylContact O-C 3.46Å; V114-S121 WeakPolarHBondContact O-CA 3.41Å; S121-A150 WeakPolarHBondContact OG-CA 3.07Å; S121-A150 WeakPolarHBondContact OG-CB 3.23Å; S121-C151 PolarHBondContact OG-N 2.8Å
122Y93.6Very high92.1Very high19 Ų1948.4 Ų48.48%0.07526%0.259CS..EExtended strand (participates in β ladder)trans-106.1150.8176.3-61.4-88.8000109.6P113 V114 D118 V120 N124 E127 L128 V131 V143P113-Y122 CarbonylContact C-O 3.07Å; P113-Y122 WeakPolarHBondContact CA-O 3.39Å; P113-Y122 WeakPolarHBondContact CB-O 3.36Å; V114-Y122 PolarHBondContact N-O 2.85Å; V114-Y122 PolarHBondContact O-N 2.88Å; D118-Y122 PolarHBondContact OD2-OH 2.77Å; V120-Y122 HydrophobicContact CB-CE2 4Å; V120-Y122 HydrophobicContact CG1-CE2 4.25Å; V120-Y122 VanDerWaalsContact O-CD2 3.31Å; V120-Y122 WeakPolarHBondContact O-CD2 3.09Å; V120-Y122 WeakPolarHBondContact O-CE2 3.47Å; Y122-N124 VanDerWaalsContact C-N 3.28Å; Y122-N124 PolarHBondContact O-N 2.73Å; Y122-E127 HydrophobicContact CD1-CG 4.1Å; Y122-L128 HydrophobicContact CD1-CB 4.31Å; Y122-L128 HydrophobicContact CD2-CB 3.99Å; Y122-L128 HydrophobicContact CD2-CD1 3.8Å; Y122-L128 HydrophobicContact CD2-CG 3.97Å; Y122-L128 HydrophobicContact CE2-CD1 4.21Å; Y122-L128 HydrophobicContact CE2-CG 4.2Å; Y122-L128 HydrophobicContact CG-CB 3.84Å; Y122-L128 HydrophobicContact CG-CD1 4.47Å; Y122-L128 HydrophobicContact CG-CG 4.34Å; Y122-V131 HydrophobicContact CE1-CB 3.95Å; Y122-V131 HydrophobicContact CE1-CG1 4.13Å; Y122-V131 HydrophobicContact CE1-CG2 3.84Å; Y122-V143 HydrophobicContact CE2-CG1 3.89Å
123R92.6Very high92.1Very high156 Ų15645.9 Ų45.959%0.58925%0.249SC*.SBendtrans-64-34.4-178-67.1-179.9-70.2151.62.2112.5E112 P113 E127E112-R123 CarbonylContact C-O 3.59Å; P113-R123 VanDerWaalsContact CA-O 3.28Å; P113-R123 WeakPolarHBondContact CA-O 3.36Å; R123-E127 VanDerWaalsContact CB-OE2 3.22Å; R123-E127 WeakPolarHBondContact CB-OE2 3.14Å; R123-E127 WeakPolarHBondContact CG-OE2 3.07Å; R123-E127 IonicContact CZ-OE1 2.78Å; R123-E127 PolarHBondContact N-OE2 2.83Å; R123-E127 IonicContact NE-OE1 2.75Å; R123-E127 PolarHBondContact NE-OE1 2.86Å; R123-E127 IonicContact NE-OE2 2.79Å; R123-E127 PolarHBondContact NE-OE2 3.44Å; R123-E127 IonicContact NH2-OE1 3.21Å; R123-E127 PolarHBondContact NH2-OE1 2.83Å
124N92.8Very high92.1Very high7 Ų750.6 Ų50.64%0.03726%0.26CS..SBendtrans-157.7174.2176.360.644.4000111.4E67 C108 S110 E112 V114 Y122 C126 E127 L128E67-N124 PolarHBondContact OE1-ND2 2.85Å; E67-N124 VanDerWaalsContact OE1-ND2 3.12Å; E67-N124 PolarHBondContact OE2-ND2 3.48Å; C108-N124 HydrophobicContact CB-CB 4.38Å; S110-N124 WeakPolarHBondContact O-CB 3.04Å; E112-N124 WeakPolarHBondContact O-CA 3.48Å; V114-N124 WeakPolarHBondContact CG2-O 3.42Å; Y122-N124 VanDerWaalsContact C-N 3.28Å; Y122-N124 PolarHBondContact O-N 2.73Å; N124-C126 VanDerWaalsContact C-N 3.25Å; N124-C126 PolarHBondContact O-N 2.83Å; N124-C126 WeakPolarHBondContact OD1-CA 3.43Å; N124-C126 WeakPolarHBondContact OD1-CB 3.47Å; N124-C126 PolarHBondContact OD1-N 3.42Å; N124-E127 PolarHBondContact O-N 3.45Å; N124-E127 PolarHBondContact OD1-N 3.05Å; N124-L128 PolarHBondContact O-N 2.96Å
125I92.1Very high92.1Very high46 Ų4650.8 Ų50.824%0.23626%0.262CS..Hα-helixtrans-63.3-30.2178.9-169.159.6000113V114 L128 K129 F145V114-I125 HydrophobicContact CG1-CB 4.32Å; I125-L128 PolarHBondContact O-N 3.41Å; I125-K129 WeakPolarHBondContact O-CG 3.45Å; I125-K129 PolarHBondContact O-N 3.05Å; I125-F145 HydrophobicContact CD1-CB 3.91Å; I125-F145 HydrophobicContact CD1-CD1 4.49Å; I125-F145 HydrophobicContact CD1-CD2 3.74Å; I125-F145 HydrophobicContact CD1-CE2 4.4Å; I125-F145 HydrophobicContact CD1-CG 3.78Å
126C93Very high91.9Very high6 Ų655.6 Ų55.64%0.04129%0.285CS..Hα-helixtrans-70.4-38.4-179.7-580000112G82 M83 C108 N124 K129 R130G82-C126 PolarHBondContact O-SG 3.48Å; M83-C126 HydrophobicContact CE-CB 3.67Å; C108-C126 VanDerWaalsContact CA-SG 3.51Å; C108-C126 HydrophobicContact CB-CB 3.69Å; C108-C126 WeakPolarHBondContact CB-SG 3.4Å; C108-C126 WeakPolarHBondContact SG-CB 3.36Å; C108-C126 PolarHBondContact SG-N 2.92Å; C108-C126 CovalentContact SG-SG 2.03Å; C108-C126 PolarHBondContact SG-SG 2.87Å; N124-C126 VanDerWaalsContact C-N 3.25Å; N124-C126 PolarHBondContact O-N 2.83Å; N124-C126 WeakPolarHBondContact OD1-CA 3.43Å; N124-C126 WeakPolarHBondContact OD1-CB 3.47Å; N124-C126 PolarHBondContact OD1-N 3.42Å; C126-K129 PolarHBondContact O-N 3.27Å; C126-R130 PolarHBondContact O-N 3.37Å
127E92.9Very high91.6Very high36 Ų3660.1 Ų60.117%0.16830%0.304CS..Hα-helixtrans-64.3-43.4173.9-172.9174.3-128.400111.6Y122 R123 N124 R130 V131Y122-E127 HydrophobicContact CD1-CG 4.1Å; R123-E127 VanDerWaalsContact CB-OE2 3.22Å; R123-E127 WeakPolarHBondContact CB-OE2 3.14Å; R123-E127 WeakPolarHBondContact CG-OE2 3.07Å; R123-E127 IonicContact CZ-OE1 2.78Å; R123-E127 PolarHBondContact N-OE2 2.83Å; R123-E127 IonicContact NE-OE1 2.75Å; R123-E127 PolarHBondContact NE-OE1 2.86Å; R123-E127 IonicContact NE-OE2 2.79Å; R123-E127 PolarHBondContact NE-OE2 3.44Å; R123-E127 IonicContact NH2-OE1 3.21Å; R123-E127 PolarHBondContact NH2-OE1 2.83Å; N124-E127 PolarHBondContact O-N 3.45Å; N124-E127 PolarHBondContact OD1-N 3.05Å; E127-R130 PolarHBondContact O-N 2.85Å; E127-V131 PolarHBondContact O-N 3.42Å
128L93.4Very high91.5Very high5 Ų562.3 Ų62.33%0.02631%0.311CS..Hα-helixtrans-60.3-47.9174.8-175.7157.7000110.9V114 Y122 N124 I125 R130 V131 S132 V143 F145V114-L128 HydrophobicContact CG2-CB 3.88Å; V114-L128 HydrophobicContact CG2-CD1 3.68Å; V114-L128 HydrophobicContact CG2-CG 4.45Å; Y122-L128 HydrophobicContact CD1-CB 4.31Å; Y122-L128 HydrophobicContact CD2-CB 3.99Å; Y122-L128 HydrophobicContact CD2-CD1 3.8Å; Y122-L128 HydrophobicContact CD2-CG 3.97Å; Y122-L128 HydrophobicContact CE2-CD1 4.21Å; Y122-L128 HydrophobicContact CE2-CG 4.2Å; Y122-L128 HydrophobicContact CG-CB 3.84Å; Y122-L128 HydrophobicContact CG-CD1 4.47Å; Y122-L128 HydrophobicContact CG-CG 4.34Å; N124-L128 PolarHBondContact O-N 2.96Å; I125-L128 PolarHBondContact O-N 3.41Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 2.87Å; L128-V131 PolarHBondContact O-N 2.94Å; L128-S132 WeakPolarHBondContact O-CB 3.27Å; L128-S132 PolarHBondContact O-N 3.36Å; L128-V143 HydrophobicContact CD1-CG1 4.42Å; L128-V143 HydrophobicContact CD2-CG1 4.46Å; L128-V143 WeakPolarHBondContact CD2-O 3.35Å; L128-V143 HydrophobicContact CG-CG1 4.15Å; L128-F145 HydrophobicContact CD1-CB 4.14Å; L128-F145 HydrophobicContact CD1-CD2 4.31Å; L128-F145 HydrophobicContact CD2-CB 4.28Å
129K92.2Very high91.5Very high70 Ų7067.8 Ų67.830%0.30433%0.334SS..Hα-helixtrans-57-43.9176.2-78.9-173.2176.2-171.10111.5E81 I125 C126 V131 S132 N133E81-K129 PolarHBondContact O-NZ 3.29Å; E81-K129 IonicContact OE2-NZ 3.28Å; E81-K129 PolarHBondContact OE2-NZ 3.08Å; I125-K129 WeakPolarHBondContact O-CG 3.45Å; I125-K129 PolarHBondContact O-N 3.05Å; C126-K129 PolarHBondContact O-N 3.27Å; K129-V131 VanDerWaalsContact C-N 3.35Å; K129-V131 PolarHBondContact O-N 2.83Å; K129-S132 WeakPolarHBondContact O-CB 3.35Å; K129-S132 PolarHBondContact O-N 2.84Å; K129-N133 WeakPolarHBondContact O-CB 3.27Å; K129-N133 PolarHBondContact O-N 3Å; K129-N133 PolarHBondContact O-ND2 2.83Å
130R91.1Very high91.6Very high124 Ų12470.7 Ų70.747%0.46833%0.334SS..Hα-helixtrans-60.4-42.8178-167.7179.973.1163.81112.2L49 C126 E127 L128 R134L49-R130 HydrophobicContact CB-CG 3.77Å; L49-R130 HydrophobicContact CD1-CG 4.49Å; C126-R130 PolarHBondContact O-N 3.37Å; E127-R130 PolarHBondContact O-N 2.85Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 2.87Å; R130-R134 WeakPolarHBondContact O-CB 3.37Å; R130-R134 PolarHBondContact O-N 2.86Å; R130-R134 VanDerWaalsContact O-N 3.09Å
131V93.1Very high91.6Very high50 Ų5072.7 Ų72.730%0.30335%0.348SS..Hα-helixtrans-69-40.6176.8173.90000111.2Y122 E127 L128 K129 R134 A135 V143Y122-V131 HydrophobicContact CE1-CB 3.95Å; Y122-V131 HydrophobicContact CE1-CG1 4.13Å; Y122-V131 HydrophobicContact CE1-CG2 3.84Å; E127-V131 PolarHBondContact O-N 3.42Å; L128-V131 PolarHBondContact O-N 2.94Å; K129-V131 VanDerWaalsContact C-N 3.35Å; K129-V131 PolarHBondContact O-N 2.83Å; V131-R134 PolarHBondContact O-N 2.76Å; V131-A135 PolarHBondContact O-N 3.26Å; V131-V143 HydrophobicContact CG1-CG2 4.11Å
132S92.4Very high91.7Very high14 Ų1472.6 Ų72.610%0.09835%0.346CS..Hα-helixtrans-60.8-47.9175.8-161.70000112.2L128 K129 R134 A135 M136 P142 V143L128-S132 WeakPolarHBondContact O-CB 3.27Å; L128-S132 PolarHBondContact O-N 3.36Å; K129-S132 WeakPolarHBondContact O-CB 3.35Å; K129-S132 PolarHBondContact O-N 2.84Å; S132-R134 VanDerWaalsContact C-N 3.31Å; S132-R134 PolarHBondContact O-N 3.49Å; S132-A135 WeakPolarHBondContact O-CB 3.49Å; S132-A135 PolarHBondContact O-N 3.46Å; S132-A135 VanDerWaalsContact O-N 3.16Å; S132-M136 WeakPolarHBondContact O-CG 3.4Å; S132-M136 PolarHBondContact O-N 2.95Å; S132-P142 VanDerWaalsContact OG-CB 3.25Å; S132-P142 WeakPolarHBondContact OG-CB 3.15Å; S132-V143 VanDerWaalsContact CB-O 3.28Å; S132-V143 WeakPolarHBondContact CB-O 3.28Å; S132-V143 PolarHBondContact OG-N 2.93Å; S132-V143 VanDerWaalsContact OG-N 3.16Å; S132-V143 PolarHBondContact OG-O 3.17Å
133N90.7Very high91.7Very high51 Ų5172.4 Ų72.427%0.27335%0.347SS..Hα-helixtrans-60.7-40.8176.2-70.5-13.8000111.7L49 K129 M136 K137L49-N133 WeakPolarHBondContact O-CB 3.38Å; L49-N133 PolarHBondContact O-ND2 3.16Å; K129-N133 WeakPolarHBondContact O-CB 3.27Å; K129-N133 PolarHBondContact O-N 3Å; K129-N133 PolarHBondContact O-ND2 2.83Å; N133-M136 PolarHBondContact O-N 2.86Å; N133-K137 WeakPolarHBondContact O-CG 3.29Å; N133-K137 PolarHBondContact O-N 3.17Å; N133-K137 VanDerWaalsContact O-N 3.09Å
134R90.9Very high91.7Very high151 Ų15169.9 Ų69.957%0.5734%0.344SS*.Hα-helixtrans-62.9-44.3175.1-172.3178.2179.6177.20.6111.8L49 R130 V131 S132 K137 L138L49-R134 HydrophobicContact CD1-CB 4.26Å; L49-R134 HydrophobicContact CD1-CG 4.31Å; L49-R134 HydrophobicContact CD2-CB 3.81Å; L49-R134 HydrophobicContact CD2-CG 4.11Å; R130-R134 WeakPolarHBondContact O-CB 3.37Å; R130-R134 PolarHBondContact O-N 2.86Å; R130-R134 VanDerWaalsContact O-N 3.09Å; V131-R134 PolarHBondContact O-N 2.76Å; S132-R134 VanDerWaalsContact C-N 3.31Å; S132-R134 PolarHBondContact O-N 3.49Å; R134-K137 PolarHBondContact O-N 3.27Å; R134-L138 HydrophobicContact CG-CD1 4.27Å; R134-L138 WeakPolarHBondContact O-CG 3.44Å; R134-L138 PolarHBondContact O-N 3.04Å; R134-L138 VanDerWaalsContact O-N 3.1Å
135A90.4Very high91.6Very high9 Ų973.6 Ų73.67%0.07436%0.36CS..Hα-helixtrans-61.1-47.2177.800000111.1V131 S132 K137 L138 Q139 Q140 P141V131-A135 PolarHBondContact O-N 3.26Å; S132-A135 WeakPolarHBondContact O-CB 3.49Å; S132-A135 PolarHBondContact O-N 3.46Å; S132-A135 VanDerWaalsContact O-N 3.16Å; A135-K137 VanDerWaalsContact C-N 3.31Å; A135-K137 PolarHBondContact O-N 3.48Å; A135-L138 CarbonylContact O-C 3.55Å; A135-L138 WeakPolarHBondContact O-CA 3.43Å; A135-L138 PolarHBondContact O-N 3.28Å; A135-Q139 PolarHBondContact O-N 3.21Å; A135-Q140 CarbonylContact C-O 3.57Å; A135-Q140 HydrophobicContact CB-CB 4.12Å; A135-Q140 WeakPolarHBondContact O-CA 3.45Å; A135-Q140 WeakPolarHBondContact O-CB 3.36Å; A135-Q140 PolarHBondContact O-N 2.86Å; A135-P141 WeakPolarHBondContact CB-O 3.16Å
136M89.3Confident91.5Very high111 Ų11176.2 Ų76.255%0.54737%0.374SS..Hα-helixtrans-57.9-42.2177.2-70179.765.600112.5S132 N133 L138 Q139 P142S132-M136 WeakPolarHBondContact O-CG 3.4Å; S132-M136 PolarHBondContact O-N 2.95Å; N133-M136 PolarHBondContact O-N 2.86Å; M136-L138 VanDerWaalsContact C-N 3.3Å; M136-L138 PolarHBondContact O-N 3.4Å; M136-Q139 PolarHBondContact O-N 3.19Å; M136-P142 HydrophobicContact CG-CB 3.75Å; M136-P142 HydrophobicContact CG-CG 4.31Å; M136-P142 HydrophobicContact SD-CB 4.05Å
137K85.7Confident91Very high97 Ų9779.7 Ų79.742%0.42239%0.389SS..Hα-helixtrans-65.1-33.2176.8-75-173.8169.4-169.60113.1A46 C48 L49 N133 R134 A135 Q139A46-K137 VanDerWaalsContact O-CD 3.26Å; A46-K137 WeakPolarHBondContact O-CD 3.47Å; A46-K137 WeakPolarHBondContact O-CE 3.47Å; A46-K137 PolarHBondContact O-NZ 2.9Å; C48-K137 WeakPolarHBondContact O-CE 3.07Å; C48-K137 PolarHBondContact O-NZ 3.33Å; L49-K137 HydrophobicContact CD2-CD 4.2Å; N133-K137 WeakPolarHBondContact O-CG 3.29Å; N133-K137 PolarHBondContact O-N 3.17Å; N133-K137 VanDerWaalsContact O-N 3.09Å; R134-K137 PolarHBondContact O-N 3.27Å; A135-K137 VanDerWaalsContact C-N 3.31Å; A135-K137 PolarHBondContact O-N 3.48Å; K137-Q139 PolarHBondContact O-N 2.69Å
138L90.1Very high90.7Very high103 Ų10386.5 Ų86.554%0.53941%0.413SS..THydrogen-bonded Turntrans-80.19.8173-65.3174.2000113.1R134 A135 M136 Q140R134-L138 HydrophobicContact CG-CD1 4.27Å; R134-L138 WeakPolarHBondContact O-CG 3.44Å; R134-L138 PolarHBondContact O-N 3.04Å; R134-L138 VanDerWaalsContact O-N 3.1Å; A135-L138 CarbonylContact O-C 3.55Å; A135-L138 WeakPolarHBondContact O-CA 3.43Å; A135-L138 PolarHBondContact O-N 3.28Å; M136-L138 VanDerWaalsContact C-N 3.3Å; M136-L138 PolarHBondContact O-N 3.4Å; L138-Q140 HydrophobicContact CB-CG 4.12Å; L138-Q140 PolarHBondContact O-N 2.58Å
139Q91Very high90.2Very high188 Ų18886.4 Ų86.488%0.87941%0.414SS*.THydrogen-bonded Turntrans56.229.1-174-56.8-179.9-100113A135 M136 K137A135-Q139 PolarHBondContact O-N 3.21Å; M136-Q139 PolarHBondContact O-N 3.19Å; K137-Q139 PolarHBondContact O-N 2.69Å
140Q92.3Very high89.9Confident113 Ų11384.4 Ų84.453%0.52841%0.41SS..PPolyproline II helixtrans-98.6157.6174-64.9177.2-1100110.3A135 L138A135-Q140 CarbonylContact C-O 3.57Å; A135-Q140 HydrophobicContact CB-CB 4.12Å; A135-Q140 WeakPolarHBondContact O-CA 3.45Å; A135-Q140 WeakPolarHBondContact O-CB 3.36Å; A135-Q140 PolarHBondContact O-N 2.86Å; L138-Q140 HydrophobicContact CB-CG 4.12Å; L138-Q140 PolarHBondContact O-N 2.58Å
141P92Very high89.5Confident113 Ų11379.7 Ų79.773%0.73440%0.396SS*.PPolyproline II helixtrans-57.1133.7175.3-24.234.1000111.7A135A135-P141 WeakPolarHBondContact CB-O 3.16Å
142P94Very high88.5Confident56 Ų5681.4 Ų81.436%0.36442%0.423SS..PPolyproline II helixtrans-64.2147.6175.724.5-31.7000111.2S132 M136 I144S132-P142 VanDerWaalsContact OG-CB 3.25Å; S132-P142 WeakPolarHBondContact OG-CB 3.15Å; M136-P142 HydrophobicContact CG-CB 3.75Å; M136-P142 HydrophobicContact CG-CG 4.31Å; M136-P142 HydrophobicContact SD-CB 4.05Å; P142-I144 PolarHBondContact O-N 3.1Å
143V93.9Very high87Confident15 Ų1588.1 Ų88.19%0.09145%0.451CS..PPolyproline II helixtrans-80.1119.7167.6-176.90000108.1Y122 L128 V131 S132Y122-V143 HydrophobicContact CE2-CG1 3.89Å; L128-V143 HydrophobicContact CD1-CG1 4.42Å; L128-V143 HydrophobicContact CD2-CG1 4.46Å; L128-V143 WeakPolarHBondContact CD2-O 3.35Å; L128-V143 HydrophobicContact CG-CG1 4.15Å; V131-V143 HydrophobicContact CG1-CG2 4.11Å; S132-V143 VanDerWaalsContact CB-O 3.28Å; S132-V143 WeakPolarHBondContact CB-O 3.28Å; S132-V143 PolarHBondContact OG-N 2.93Å; S132-V143 VanDerWaalsContact OG-N 3.16Å; S132-V143 PolarHBondContact OG-O 3.17Å
144I92.6Very high85.3Confident103 Ų10390.1 Ų90.153%0.52847%0.474SS..PPolyproline II helixtrans-96138.4-178.8-57170.9000108.6G116 S117 P142 I146G116-I144 CarbonylContact C-O 3.44Å; G116-I144 WeakPolarHBondContact CA-O 3.28Å; S117-I144 PolarHBondContact N-O 2.97Å; S117-I144 PolarHBondContact OG-N 2.89Å; P142-I144 PolarHBondContact O-N 3.1Å; I144-I146 PolarHBondContact O-N 3.22Å
145F91.4Very high83.8Confident85 Ų8588.8 Ų88.837%0.37348%0.475SS..EExtended strand (participates in β ladder)trans-68.4114.2171.6170.4-109.3000110.5V114 I125 L128 Q147 R148V114-F145 HydrophobicContact CB-CD2 3.7Å; V114-F145 HydrophobicContact CB-CE2 3.54Å; V114-F145 HydrophobicContact CG1-CD2 3.95Å; V114-F145 HydrophobicContact CG1-CE2 3.46Å; V114-F145 VanDerWaalsContact CG1-CE2 3.46Å; V114-F145 HydrophobicContact CG1-CZ 4.46Å; V114-F145 HydrophobicContact CG2-CD2 4.31Å; I125-F145 HydrophobicContact CD1-CB 3.91Å; I125-F145 HydrophobicContact CD1-CD1 4.49Å; I125-F145 HydrophobicContact CD1-CD2 3.74Å; I125-F145 HydrophobicContact CD1-CE2 4.4Å; I125-F145 HydrophobicContact CD1-CG 3.78Å; L128-F145 HydrophobicContact CD1-CB 4.14Å; L128-F145 HydrophobicContact CD1-CD2 4.31Å; L128-F145 HydrophobicContact CD2-CB 4.28Å; F145-Q147 WeakPolarHBondContact CE2-O 3.48Å; F145-R148 HydrophobicContact CE2-CG 4.39Å; F145-R148 HydrophobicContact CZ-CB 4.48Å; F145-R148 HydrophobicContact CZ-CG 3.68Å
146I88.7Confident82.2Confident101 Ų10194.5 Ų94.552%0.51850%0.503SS..EExtended strand (participates in β ladder)trans-94.1-46.4-176.1-63.2-60.2000111.9C115 S117 I144C115-I146 PolarHBondContact O-N 2.91Å; S117-I146 VanDerWaalsContact CA-CG1 3.5Å; I144-I146 PolarHBondContact O-N 3.22Å
147Q83.9Confident81.2Confident78 Ų7893.4 Ų93.436%0.36450%0.5SS..EExtended strand (participates in β ladder)trans-155.1154.2-177.560.8174.52900111.3C115 F145 A150C115-Q147 HydrophobicContact CB-CG 3.43Å; C115-Q147 VanDerWaalsContact CB-CG 3.43Å; C115-Q147 PolarHBondContact N-O 2.94Å; F145-Q147 WeakPolarHBondContact CE2-O 3.48Å; Q147-A150 PolarHBondContact NE2-O 2.87Å
148R85.3Confident80.4Confident180 Ų18095.1 Ų95.168%0.67951%0.513SS*.EExtended strand (participates in β ladder)trans-68.4149164.9-62-172.5-175.5-170.31.7109.5F145F145-R148 HydrophobicContact CE2-CG 4.39Å; F145-R148 HydrophobicContact CZ-CB 4.48Å; F145-R148 HydrophobicContact CZ-CG 3.68Å
149G83.6Confident79.8Confident3 Ų397.1 Ų97.13%0.03152%0.524CS..SBendtrans86.5171.9-17500000113.5P113 V114 C115P113-G149 CarbonylContact O-C 3.53Å; P113-G149 WeakPolarHBondContact O-CA 3.39Å; P113-G149 PolarHBondContact O-N 3.42Å; V114-G149 CarbonylContact C-O 3.59Å; V114-G149 VanDerWaalsContact CA-O 3.3Å; V114-G149 WeakPolarHBondContact CA-O 2.92Å; C115-G149 PolarHBondContact N-O 2.95Å; C115-G149 VanDerWaalsContact N-O 3.07Å
150A84.6Confident79.4Confident28 Ų2890.3 Ų90.323%0.23150%0.497CS..  trans-66.2148.1175.700000111.7S121 Q147S121-A150 WeakPolarHBondContact OG-CA 3.07Å; S121-A150 WeakPolarHBondContact OG-CB 3.23Å; Q147-A150 PolarHBondContact NE2-O 2.87Å
151C83.5Confident79.1Confident25 Ų2591 Ų9117%0.16950%0.504CS..THydrogen-bonded Turntrans-58.7143.7171.6-62.10000111.4C115 G119 V120 S121 K153C115-C151 WeakPolarHBondContact CA-SG 3.37Å; C115-C151 HydrophobicContact CB-CB 4.02Å; C115-C151 WeakPolarHBondContact CB-SG 3.14Å; C115-C151 WeakPolarHBondContact SG-CA 3.44Å; C115-C151 WeakPolarHBondContact SG-CB 3.12Å; C115-C151 CovalentContact SG-SG 2.03Å; C115-C151 PolarHBondContact SG-SG 2.95Å; G119-C151 WeakPolarHBondContact O-CB 3.49Å; G119-C151 PolarHBondContact O-SG 2.82Å; V120-C151 PolarHBondContact O-SG 2.89Å; S121-C151 PolarHBondContact OG-N 2.8Å; C151-K153 PolarHBondContact O-N 3.29Å; C151-K153 VanDerWaalsContact O-N 3.08Å
152G72.7Confident78.8Confident85 Ų8594.5 Ų94.588%0.87650%0.502SS*.THydrogen-bonded Turntrans74.6-12175.800000115.8
153K59.9Low78.4Confident156 Ų15695.9 Ų95.968%0.67850%0.504SS*.  trans-96104.5167.6-71.7-174.3179.5-179.70108.3C151 Q155C151-K153 PolarHBondContact O-N 3.29Å; C151-K153 VanDerWaalsContact O-N 3.08Å; K153-Q155 VanDerWaalsContact C-N 3.27Å; K153-Q155 PolarHBondContact O-N 2.84Å
154A56.5Low78.2Confident93 Ų93101.8 Ų101.877%0.76953%0.528SS*.  trans-6099.8160.200000106.3L156A154-L156 VanDerWaalsContact C-N 3.33Å; A154-L156 PolarHBondContact O-N 2.88Å
155Q58.1Low78.2Confident123 Ų123102.8 Ų102.858%0.57553%0.526SS*.  trans-62.4105.3168.8-100.1175.2-27.200105.8K153 N157K153-Q155 VanDerWaalsContact C-N 3.27Å; K153-Q155 PolarHBondContact O-N 2.84Å; Q155-N157 PolarHBondContact O-N 2.84Å
156L57.7Low78.4Confident128 Ų128102.2 Ų102.267%0.6753%0.527SS*.  trans-63.176.2160.2-81.9158.1000106.6A154 L158A154-L156 VanDerWaalsContact C-N 3.33Å; A154-L156 PolarHBondContact O-N 2.88Å; L156-L158 VanDerWaalsContact C-N 3.28Å; L156-L158 PolarHBondContact O-N 3.4Å
157N67.1Low78.7Confident89 Ų89101.1 Ų101.148%0.47652%0.518SS..  trans-7593.3169.4-174.7-16.3000105.9Q155 D159 S160 H163Q155-N157 PolarHBondContact O-N 2.84Å; N157-D159 PolarHBondContact O-N 3.44Å; N157-D159 WeakPolarHBondContact OD1-CB 3.47Å; N157-D159 PolarHBondContact OD1-N 2.81Å; N157-D159 VanDerWaalsContact OD1-N 3.12Å; N157-S160 WeakPolarHBondContact O-CB 3.33Å; N157-S160 PolarHBondContact O-N 2.97Å; N157-S160 PolarHBondContact OD1-N 2.87Å; N157-H163 PolarHBondContact O-ND1 2.75Å
158L68.9Low79.4Confident132 Ų13299.1 Ų99.169%0.69151%0.51SS*.THydrogen-bonded Turntrans-61.5-24.1179.8-69.5165.3000111.8L156 S160L156-L158 VanDerWaalsContact C-N 3.28Å; L156-L158 PolarHBondContact O-N 3.4Å; L158-S160 VanDerWaalsContact C-N 3.28Å
159D77.9Confident79.9Confident146 Ų14693 Ų9378%0.78150%0.497SS*.THydrogen-bonded Turntrans-83.2-3.2173.9-64.1-41.3000113.2N157 L161N157-D159 PolarHBondContact O-N 3.44Å; N157-D159 WeakPolarHBondContact OD1-CB 3.47Å; N157-D159 PolarHBondContact OD1-N 2.81Å; N157-D159 VanDerWaalsContact OD1-N 3.12Å; D159-L161 PolarHBondContact O-N 3.34Å
160S83.7Confident80.5Confident44 Ų4497.4 Ų97.431%0.30852%0.52SS..SBendtrans-61.9135.4172.8-176.90000110.2N157 L158 R162 H163 K164N157-S160 WeakPolarHBondContact O-CB 3.33Å; N157-S160 PolarHBondContact O-N 2.97Å; N157-S160 PolarHBondContact OD1-N 2.87Å; L158-S160 VanDerWaalsContact C-N 3.28Å; S160-R162 PolarHBondContact O-N 3.25Å; S160-R162 PolarHBondContact OG-N 3.07Å; S160-H163 PolarHBondContact O-N 2.89Å; S160-K164 PolarHBondContact O-N 3.28Å; S160-K164 VanDerWaalsContact O-N 3.09Å
161L85.9Confident81.1Confident128 Ų12896.4 Ų96.467%0.6751%0.511SS*.Hα-helixtrans-51.6-31.8172.7-59178.6000112D159 K164 Y165D159-L161 PolarHBondContact O-N 3.34Å; L161-K164 PolarHBondContact O-N 2.91Å; L161-Y165 HydrophobicContact CB-CD2 4.2Å; L161-Y165 HydrophobicContact CD2-CD2 3.96Å; L161-Y165 HydrophobicContact CD2-CE2 3.58Å; L161-Y165 WeakPolarHBondContact O-CD2 3.38Å; L161-Y165 PolarHBondContact O-N 3Å
162R85.7Confident81.6Confident186 Ų18696.6 Ų96.670%0.70251%0.512SS*.Hα-helixtrans-62.7-41.3176.3-173.2-175.9176.8177.1-1.4112.5S160 N166S160-R162 PolarHBondContact O-N 3.25Å; S160-R162 PolarHBondContact OG-N 3.07Å; R162-N166 VanDerWaalsContact CG-ND2 3.25Å; R162-N166 WeakPolarHBondContact CG-ND2 3.4Å; R162-N166 VanDerWaalsContact O-CB 3.31Å; R162-N166 WeakPolarHBondContact O-CB 3.49Å; R162-N166 VanDerWaalsContact O-CG 3.3Å; R162-N166 PolarHBondContact O-ND2 2.78Å
163H85.4Confident82.7Confident85 Ų8599.4 Ų99.439%0.39450%0.502SS..Hα-helixtrans-78.6-34178.9-70102.9000111.4N157 S160N157-H163 PolarHBondContact O-ND1 2.75Å; S160-H163 PolarHBondContact O-N 2.89Å
164K88.9Confident84.4Confident139 Ų13998.8 Ų98.860%0.60450%0.5SS*.Hα-helixtrans-77.7-31.4-173.6-169.1171.4-179.9179.80114.6S160 L161S160-K164 PolarHBondContact O-N 3.28Å; S160-K164 VanDerWaalsContact O-N 3.09Å; L161-K164 PolarHBondContact O-N 2.91Å
165Y93.6Very high86.3Confident125 Ų12594.4 Ų94.449%0.4946%0.463SS..Hα-helixtrans-121.66.8-167.8-60.5-69.6000115.1L161 F167L161-Y165 HydrophobicContact CB-CD2 4.2Å; L161-Y165 HydrophobicContact CD2-CD2 3.96Å; L161-Y165 HydrophobicContact CD2-CE2 3.58Å; L161-Y165 WeakPolarHBondContact O-CD2 3.38Å; L161-Y165 PolarHBondContact O-N 3Å; Y165-F167 WeakPolarHBondContact O-CD1 3.27Å; Y165-F167 WeakPolarHBondContact O-CE1 3.47Å; Y165-F167 PolarHBondContact O-N 3.28Å; Y165-F167 VanDerWaalsContact O-N 3.1Å
166N94.7Very high88Confident73 Ų7388.7 Ų88.739%0.3944%0.437SS..  trans-8542.1176.8-86.3-35.4000113.6R162 I168 A169 D170R162-N166 VanDerWaalsContact CG-ND2 3.25Å; R162-N166 WeakPolarHBondContact CG-ND2 3.4Å; R162-N166 VanDerWaalsContact O-CB 3.31Å; R162-N166 WeakPolarHBondContact O-CB 3.49Å; R162-N166 VanDerWaalsContact O-CG 3.3Å; R162-N166 PolarHBondContact O-ND2 2.78Å; N166-I168 PolarHBondContact O-N 3.3Å; N166-I168 VanDerWaalsContact O-N 3.12Å; N166-A169 HydrophobicContact CB-CB 4.17Å; N166-A169 WeakPolarHBondContact O-CB 3.38Å; N166-A169 PolarHBondContact O-N 3.14Å; N166-D170 PolarHBondContact O-N 2.92Å
167F96Very high89.8Confident77 Ų7785 Ų8534%0.33842%0.42SS..Hα-helixtrans-57.8-29.5-179.752.2-97.2000113.4Y165 A169 D170 V171 F274 L331Y165-F167 WeakPolarHBondContact O-CD1 3.27Å; Y165-F167 WeakPolarHBondContact O-CE1 3.47Å; Y165-F167 PolarHBondContact O-N 3.28Å; Y165-F167 VanDerWaalsContact O-N 3.1Å; F167-A169 VanDerWaalsContact C-N 3.34Å; F167-D170 PolarHBondContact O-N 3.42Å; F167-V171 VanDerWaalsContact O-CG2 3.29Å; F167-V171 WeakPolarHBondContact O-CG2 3.31Å; F167-V171 PolarHBondContact O-N 3.02Å; F167-V171 VanDerWaalsContact O-N 3.08Å; F167-F274 HydrophobicContact CE2-CD2 4.28Å; F167-F274 HydrophobicContact CE2-CG 4.29Å; F167-F274 HydrophobicContact CZ-CD2 4.45Å; F167-F274 HydrophobicContact CZ-CE2 4.33Å; F167-L331 HydrophobicContact CD2-CD1 4.23Å; F167-L331 HydrophobicContact CD2-CD2 3.69Å; F167-L331 HydrophobicContact CE2-CD1 4.48Å; F167-L331 HydrophobicContact CE2-CD2 4.14Å
168I97.3Very high91.2Very high37 Ų3780.8 Ų80.819%0.1940%0.398CS..Hα-helixtrans-64.9-39.8174.1-59.6-59.3000111.2N166 D170 V171 V172 V276 T290 L331N166-I168 PolarHBondContact O-N 3.3Å; N166-I168 VanDerWaalsContact O-N 3.12Å; I168-D170 VanDerWaalsContact C-N 3.33Å; I168-V171 PolarHBondContact O-N 3.38Å; I168-V172 HydrophobicContact CG2-CG2 4.42Å; I168-V172 WeakPolarHBondContact O-CG2 3.36Å; I168-V172 PolarHBondContact O-N 3.18Å; I168-V276 HydrophobicContact CD1-CG2 3.8Å; I168-V276 HydrophobicContact CG2-CG2 3.99Å; I168-T290 WeakPolarHBondContact CD1-OG1 3.35Å; I168-L331 HydrophobicContact CD1-CD2 3.99Å
169A95.3Very high92.5Very high50 Ų5074.6 Ų74.641%0.41337%0.366SS..Hα-helixtrans-65.5-40.7178.100000110.9N166 F167 V171 V172 E173N166-A169 HydrophobicContact CB-CB 4.17Å; N166-A169 WeakPolarHBondContact O-CB 3.38Å; N166-A169 PolarHBondContact O-N 3.14Å; F167-A169 VanDerWaalsContact C-N 3.34Å; A169-V171 VanDerWaalsContact C-N 3.35Å; A169-V171 PolarHBondContact O-N 2.86Å; A169-V172 PolarHBondContact O-N 2.92Å; A169-E173 WeakPolarHBondContact O-CB 3.44Å; A169-E173 PolarHBondContact O-N 2.86Å
170D96.3Very high93.3Very high96 Ų9667.7 Ų67.751%0.51333%0.329SS..Hα-helixtrans-61.5-43.8177.5-56-25.8000111.3N166 F167 I168 E173 K174N166-D170 PolarHBondContact O-N 2.92Å; F167-D170 PolarHBondContact O-N 3.42Å; I168-D170 VanDerWaalsContact C-N 3.33Å; D170-E173 PolarHBondContact O-N 2.9Å; D170-K174 WeakPolarHBondContact O-CB 3.48Å; D170-K174 PolarHBondContact O-N 3.27Å
171V97.4Very high93.8Very high7 Ų765.9 Ų65.94%0.04232%0.316CS..Hα-helixtrans-61.6-47175.3171.90000110.9F167 I168 A169 E173 K174 I175 V276 V329 L331F167-V171 VanDerWaalsContact O-CG2 3.29Å; F167-V171 WeakPolarHBondContact O-CG2 3.31Å; F167-V171 PolarHBondContact O-N 3.02Å; F167-V171 VanDerWaalsContact O-N 3.08Å; I168-V171 PolarHBondContact O-N 3.38Å; A169-V171 VanDerWaalsContact C-N 3.35Å; A169-V171 PolarHBondContact O-N 2.86Å; V171-E173 PolarHBondContact O-N 3.04Å; V171-K174 PolarHBondContact O-N 3.3Å; V171-I175 HydrophobicContact CG1-CD1 4.08Å; V171-I175 HydrophobicContact CG1-CG2 4.44Å; V171-I175 VanDerWaalsContact O-CG1 3.32Å; V171-I175 WeakPolarHBondContact O-CG1 3.5Å; V171-I175 WeakPolarHBondContact O-CG2 3.47Å; V171-I175 PolarHBondContact O-N 3.06Å; V171-V276 HydrophobicContact CG1-CB 4.37Å; V171-V276 HydrophobicContact CG1-CG2 4.03Å; V171-V329 HydrophobicContact CG1-CG2 3.68Å; V171-L331 HydrophobicContact CG2-CD2 4.31Å; V171-L331 VanDerWaalsContact CG2-O 3.27Å; V171-L331 WeakPolarHBondContact CG2-O 3.37Å
172V95.7Very high94.1Very high29 Ų2959.9 Ų59.918%0.17628%0.284CS..Hα-helixtrans-61.1-45.5178.7170.70000111.3I168 A169 K174 I175 A176 V276 I278 V288I168-V172 HydrophobicContact CG2-CG2 4.42Å; I168-V172 WeakPolarHBondContact O-CG2 3.36Å; I168-V172 PolarHBondContact O-N 3.18Å; A169-V172 PolarHBondContact O-N 2.92Å; V172-K174 VanDerWaalsContact C-N 3.3Å; V172-K174 PolarHBondContact O-N 2.89Å; V172-I175 PolarHBondContact O-N 2.88Å; V172-A176 WeakPolarHBondContact O-CB 3.5Å; V172-A176 PolarHBondContact O-N 3.24Å; V172-V276 HydrophobicContact CG2-CG1 3.99Å; V172-I278 HydrophobicContact CG1-CD1 4.33Å; V172-V288 HydrophobicContact CG1-CG2 3.89Å; V172-V288 HydrophobicContact CG2-CB 4.35Å; V172-V288 HydrophobicContact CG2-CG1 3.49Å; V172-V288 VanDerWaalsContact CG2-CG1 3.49Å; V172-V288 HydrophobicContact CG2-CG2 3.97Å
173E94.6Very high94.3Very high145 Ų14553.4 Ų53.468%0.67826%0.262SS*.Hα-helixtrans-59.3-43.7178.6-176.3171.3-173.500111.2A169 D170 V171A169-E173 WeakPolarHBondContact O-CB 3.44Å; A169-E173 PolarHBondContact O-N 2.86Å; D170-E173 PolarHBondContact O-N 2.9Å; V171-E173 PolarHBondContact O-N 3.04Å
174K95.6Very high94.2Very high143 Ų14349.6 Ų49.662%0.62225%0.245SC*.Hα-helixtrans-63.2-47.2177.6-175.7-179.2179.6-175.90112.8D170 V171 V172 D332D170-K174 WeakPolarHBondContact O-CB 3.48Å; D170-K174 PolarHBondContact O-N 3.27Å; V171-K174 PolarHBondContact O-N 3.3Å; V172-K174 VanDerWaalsContact C-N 3.3Å; V172-K174 PolarHBondContact O-N 2.89Å; K174-D332 PolarHBondContact NZ-O 3.31Å
175I96.4Very high93.8Very high0 Ų044.5 Ų44.50%022%0.222CC..Hα-helixtrans-89.6-27.9-170.272.8-171.2000113.9V171 V172 P177 A178 L261 I278 V329V171-I175 HydrophobicContact CG1-CD1 4.08Å; V171-I175 HydrophobicContact CG1-CG2 4.44Å; V171-I175 VanDerWaalsContact O-CG1 3.32Å; V171-I175 WeakPolarHBondContact O-CG1 3.5Å; V171-I175 WeakPolarHBondContact O-CG2 3.47Å; V171-I175 PolarHBondContact O-N 3.06Å; V172-I175 PolarHBondContact O-N 2.88Å; I175-P177 VanDerWaalsContact C-N 3.32Å; I175-P177 VanDerWaalsContact O-N 3.15Å; I175-A178 PolarHBondContact O-N 2.85Å; I175-L261 HydrophobicContact CB-CD1 4.41Å; I175-L261 HydrophobicContact CB-CD2 3.76Å; I175-L261 HydrophobicContact CG2-CD2 3.85Å; I175-I278 HydrophobicContact CD1-CB 4.34Å; I175-I278 HydrophobicContact CD1-CD1 4.22Å; I175-I278 HydrophobicContact CD1-CG2 3.65Å; I175-I278 HydrophobicContact CG1-CD1 4.09Å; I175-I278 HydrophobicContact CG1-CG2 4.27Å; I175-V329 HydrophobicContact CD1-CB 4.42Å; I175-V329 HydrophobicContact CD1-CG1 4.15Å; I175-V329 HydrophobicContact CD1-CG2 3.43Å; I175-V329 VanDerWaalsContact CD1-CG2 3.43Å; I175-V329 HydrophobicContact CG2-CG2 4.49Å
176A94.6Very high93.1Very high3 Ų344.4 Ų44.43%0.02522%0.221CC..G310 helixtrans-52.4-37.8-171.900000115V172 A178 V179 K229 I278 N286V172-A176 WeakPolarHBondContact O-CB 3.5Å; V172-A176 PolarHBondContact O-N 3.24Å; A176-A178 PolarHBondContact O-N 3.44Å; A176-V179 PolarHBondContact O-N 3Å; A176-K229 HydrophobicContact CB-CD 4.3Å; A176-I278 HydrophobicContact CB-CD1 4.29Å; A176-N286 VanDerWaalsContact CB-ND2 3.31Å; A176-N286 WeakPolarHBondContact CB-ND2 3.37Å
177P94.5Very high92Very high50 Ų5048 Ų4833%0.32523%0.233SC..G310 helixtrans-62-25.6178.8-2536.4000115I175 K229 P259I175-P177 VanDerWaalsContact C-N 3.32Å; I175-P177 VanDerWaalsContact O-N 3.15Å; P177-K229 HydrophobicContact CB-CD 4.44Å; P177-K229 HydrophobicContact CG-CD 4.34Å; P177-P259 HydrophobicContact CB-CB 4.06Å; P177-P259 HydrophobicContact CB-CG 3.7Å; P177-P259 VanDerWaalsContact O-CG 3.27Å; P177-P259 WeakPolarHBondContact O-CG 3.38Å
178A96.7Very high91Very high2 Ų249 Ų492%0.01724%0.24CC..G310 helixtrans-94.7-3.3-178.100000113.4I175 A176 F203 V204 P259 L261I175-A178 PolarHBondContact O-N 2.85Å; A176-A178 PolarHBondContact O-N 3.44Å; A178-F203 CarbonylContact O-C 3.58Å; A178-F203 VanDerWaalsContact O-CA 3.29Å; A178-F203 WeakPolarHBondContact O-CA 3.5Å; A178-V204 PolarHBondContact O-N 3.01Å; A178-P259 HydrophobicContact CB-CB 4.28Å; A178-P259 HydrophobicContact CB-CG 4.42Å; A178-P259 WeakPolarHBondContact CB-O 3.26Å; A178-L261 HydrophobicContact CB-CD1 4.48Å; A178-L261 HydrophobicContact CB-CD2 3.86Å; A178-L261 HydrophobicContact CB-CG 3.68Å
179V96.4Very high89.3Confident1 Ų152.3 Ų52.31%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-88.2137.8174.5-177.60000108.9A176 I278 P327A176-V179 PolarHBondContact O-N 3Å; V179-I278 HydrophobicContact CG1-CG1 4.49Å; V179-I278 HydrophobicContact CG2-CD1 4.23Å; V179-I278 HydrophobicContact CG2-CG1 4.27Å; V179-I278 HydrophobicContact CG2-CG2 3.7Å; V179-P327 HydrophobicContact CG2-CG 3.98Å
180V95.4Very high88.2Confident1 Ų159.5 Ų59.51%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-127.2151.5-175.6-57.80000111.5I182 S201 G202 V204 I211 V226 L228V180-I182 HydrophobicContact CG2-CG1 4.25Å; V180-S201 CarbonylContact O-C 3.54Å; V180-S201 WeakPolarHBondContact O-CA 3.33Å; V180-G202 PolarHBondContact N-O 3.43Å; V180-G202 PolarHBondContact O-N 3.07Å; V180-V204 HydrophobicContact CG1-CG2 3.94Å; V180-I211 HydrophobicContact CG2-CD1 4.21Å; V180-I211 HydrophobicContact CG2-CG1 4.47Å; V180-I211 HydrophobicContact CG2-CG2 3.83Å; V180-V226 HydrophobicContact CB-CG1 3.66Å; V180-V226 HydrophobicContact CG1-CG1 4.04Å; V180-V226 HydrophobicContact CG2-CG1 3.8Å; V180-L228 HydrophobicContact CG1-CD2 3.54Å
181H94.6Very high86.8Confident7 Ų757.5 Ų57.53%0.03227%0.273CS..EExtended strand (participates in β ladder)trans-89.5137.9168.6177.861000109.6S199 G200 V226 E227 S280 P281H181-S199 PolarHBondContact CE1-OG 3.4Å; H181-G200 PolarHBondContact ND1-O 3.4Å; H181-V226 CarbonylContact O-C 3.59Å; H181-V226 VanDerWaalsContact O-CA 3.31Å; H181-V226 WeakPolarHBondContact O-CA 3.49Å; H181-E227 HydrophobicContact CB-CB 4.17Å; H181-E227 IonicContact CD2-OE2 3.43Å; H181-E227 PolarHBondContact N-O 2.88Å; H181-E227 PolarHBondContact O-N 2.85Å; H181-S280 WeakPolarHBondContact CB-O 3.34Å; H181-S280 PolarHBondContact ND1-O 2.86Å; H181-P281 PolarHBondContact CE1-O 2.81Å
182I91.9Very high85.5Confident1 Ų166.6 Ų66.61%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-121.4126.4179.5-56.9-178.7000108.5V180 S199 G200 I211 T213 V217 V218 V224 K225 V226 I250V180-I182 HydrophobicContact CG2-CG1 4.25Å; I182-S199 CarbonylContact O-C 3.6Å; I182-S199 WeakPolarHBondContact O-CA 3.22Å; I182-G200 PolarHBondContact N-O 2.93Å; I182-G200 PolarHBondContact O-N 2.77Å; I182-I211 HydrophobicContact CD1-CG2 4.38Å; I182-T213 HydrophobicContact CD1-CG2 3.69Å; I182-V217 HydrophobicContact CB-CG1 4.12Å; I182-V217 HydrophobicContact CD1-CG1 4.48Å; I182-V217 HydrophobicContact CG2-CG1 3.98Å; I182-V218 HydrophobicContact CG2-CG1 4.23Å; I182-V224 HydrophobicContact CG2-CG1 3.67Å; I182-K225 WeakPolarHBondContact CA-O 3.5Å; I182-V226 HydrophobicContact CG1-CG2 4.4Å; I182-I250 HydrophobicContact CD1-CD1 3.87Å
183E88.6Confident84.4Confident51 Ų5174.5 Ų74.524%0.23834%0.339CS..EExtended strand (participates in β ladder)trans-129.6132.5-178.7-164.3175.5-161.700110.7F185 A196 K225E183-F185 HydrophobicContact CB-CE2 3.87Å; E183-F185 HydrophobicContact CB-CZ 4.45Å; E183-F185 VanDerWaalsContact CD-CZ 3.42Å; E183-F185 HydrophobicContact CG-CD2 4.4Å; E183-F185 HydrophobicContact CG-CE2 3.72Å; E183-F185 HydrophobicContact CG-CZ 3.93Å; E183-F185 WeakPolarHBondContact OE2-CE2 3.29Å; E183-F185 WeakPolarHBondContact OE2-CZ 3.4Å; E183-A196 HydrophobicContact CG-CB 4.14Å; E183-A196 WeakPolarHBondContact OE1-CB 3.47Å; E183-K225 PolarHBondContact N-O 2.71Å; E183-K225 PolarHBondContact O-N 3Å
184L84.5Confident83.6Confident5 Ų570.8 Ų70.83%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-98.8125.3178.3-74.4169.5000110.1A196 V197 A198 V217 H222 V224L184-A196 WeakPolarHBondContact O-CA 3.23Å; L184-V197 HydrophobicContact CB-CG2 3.81Å; L184-V197 WeakPolarHBondContact O-CG2 3.32Å; L184-V197 PolarHBondContact O-N 3.43Å; L184-A198 HydrophobicContact CB-CB 4.12Å; L184-A198 HydrophobicContact CD1-CB 3.59Å; L184-A198 HydrophobicContact CG-CB 4.34Å; L184-A198 PolarHBondContact N-O 2.84Å; L184-V217 WeakPolarHBondContact CD1-O 3.5Å; L184-V217 WeakPolarHBondContact CG-O 3.39Å; L184-H222 HydrophobicContact CB-CB 4.33Å; L184-H222 HydrophobicContact CD2-CB 4.02Å; L184-V224 HydrophobicContact CD2-CB 4.48Å; L184-V224 HydrophobicContact CD2-CG2 3.72Å
185F80.8Confident82.7Confident31 Ų3167.3 Ų67.314%0.13631%0.312CS..EExtended strand (participates in β ladder)trans-109.4124178-70.8-88.5000112.1E183 E194 A196 H222 R223 K225E183-F185 HydrophobicContact CB-CE2 3.87Å; E183-F185 HydrophobicContact CB-CZ 4.45Å; E183-F185 VanDerWaalsContact CD-CZ 3.42Å; E183-F185 HydrophobicContact CG-CD2 4.4Å; E183-F185 HydrophobicContact CG-CE2 3.72Å; E183-F185 HydrophobicContact CG-CZ 3.93Å; E183-F185 WeakPolarHBondContact OE2-CE2 3.29Å; E183-F185 WeakPolarHBondContact OE2-CZ 3.4Å; F185-E194 HydrophobicContact CB-CB 4.26Å; F185-E194 HydrophobicContact CD1-CB 3.86Å; F185-E194 HydrophobicContact CG-CB 4.45Å; F185-A196 HydrophobicContact CE1-CB 4.36Å; F185-H222 WeakPolarHBondContact O-CB 3.33Å; F185-R223 PolarHBondContact N-O 2.88Å; F185-R223 PolarHBondContact O-N 3.47Å; F185-R223 VanDerWaalsContact O-N 3.16Å; F185-K225 HydrophobicContact CD2-CB 4.23Å; F185-K225 HydrophobicContact CD2-CD 3.96Å; F185-K225 HydrophobicContact CD2-CG 3.87Å; F185-K225 HydrophobicContact CE2-CB 3.9Å; F185-K225 HydrophobicContact CE2-CD 3.56Å; F185-K225 HydrophobicContact CE2-CG 3.81Å; F185-K225 HydrophobicContact CZ-CD 4.27Å
186R77.4Confident81.8Confident124 Ų12469.6 Ų69.647%0.46833%0.331SS..EExtended strand (participates in β ladder)trans-95.2127.4169.3-172.4174.2-172.2-164.96.5109.8V195 V197R186-V195 PolarHBondContact N-O 3.34Å; R186-V195 PolarHBondContact O-N 3.29Å; R186-V197 HydrophobicContact CB-CG1 3.51Å; R186-V197 HydrophobicContact CB-CG2 4.28Å
187K73.3Confident81Confident148 Ų14872.9 Ų72.964%0.64335%0.35SS*.EExtended strand (participates in β ladder)trans-79.3126.1173.3-162.7174.4-176177.70109.7
188M73.5Confident80.1Confident99 Ų9972.4 Ų72.449%0.48835%0.351SS..PPolyproline II helixtrans-72.2142176.4-68-69.9-85.900110.6F190 R193 V195M188-F190 VanDerWaalsContact C-N 3.35Å; M188-F190 PolarHBondContact O-N 2.66Å; M188-R193 PolarHBondContact N-O 2.97Å; M188-V195 HydrophobicContact CG-CG2 3.92Å; M188-V195 HydrophobicContact SD-CG2 4.29Å
189I62.2Low79.4Confident105 Ų10574.9 Ų74.954%0.53837%0.368SS..THydrogen-bonded Turntrans-69-35.3-172.8-57169.6000111.5
190F71.4Confident79Confident201 Ų20174.8 Ų74.888%0.88237%0.368SS*.THydrogen-bonded Turntrans-108.97.4-174-56.5-73.6000113.6M188M188-F190 VanDerWaalsContact C-N 3.35Å; M188-F190 PolarHBondContact O-N 2.66Å
191S67.6Low79Confident55 Ų5574.8 Ų74.839%0.38537%0.367SS..SBendtrans-146.7144.6-179.7-1770000110.3R193S191-R193 PolarHBondContact O-N 3.18Å; S191-R193 VanDerWaalsContact O-N 3.11Å; S191-R193 WeakPolarHBondContact OG-CB 3.48Å; S191-R193 PolarHBondContact OG-N 2.9Å
192K69.4Low79Confident197 Ų19774.4 Ų74.486%0.85737%0.366SS*.SBendtrans-69.31.2169.5-68.6-174.1-179.5-179.80113.1
193R74.1Confident79.3Confident195 Ų19574.4 Ų74.474%0.73637%0.366SS*.  trans-71.5133.1176.7-75.3-177.4167.5179-4.2111.2M188 S191M188-R193 PolarHBondContact N-O 2.97Å; S191-R193 PolarHBondContact O-N 3.18Å; S191-R193 VanDerWaalsContact O-N 3.11Å; S191-R193 WeakPolarHBondContact OG-CB 3.48Å; S191-R193 PolarHBondContact OG-N 2.9Å
194E76.8Confident79.8Confident67 Ų6772 Ų7231%0.31336%0.355SS..EExtended strand (participates in β ladder)trans-96.8136.6170.6-68.5175.5177.900108.2F185 R223F185-E194 HydrophobicContact CB-CB 4.26Å; F185-E194 HydrophobicContact CD1-CB 3.86Å; F185-E194 HydrophobicContact CG-CB 4.45Å; E194-R223 VanDerWaalsContact CD-NH2 3.34Å; E194-R223 IonicContact OE1-CZ 2.85Å; E194-R223 VanDerWaalsContact OE1-CZ 3.25Å; E194-R223 IonicContact OE1-NH1 3.7Å; E194-R223 PolarHBondContact OE1-NH1 2.99Å; E194-R223 IonicContact OE1-NH2 3.98Å; E194-R223 PolarHBondContact OE1-NH2 3.47Å; E194-R223 IonicContact OE2-CZ 2.64Å; E194-R223 IonicContact OE2-NH1 3.88Å; E194-R223 IonicContact OE2-NH2 3.69Å; E194-R223 PolarHBondContact OE2-NH2 2.96Å
195V77.6Confident80.4Confident70 Ų7073.2 Ų73.242%0.42436%0.362SS..EExtended strand (participates in β ladder)trans-118129.3177.5-177.10000107.8R186 M188 V197R186-V195 PolarHBondContact N-O 3.34Å; R186-V195 PolarHBondContact O-N 3.29Å; M188-V195 HydrophobicContact CG-CG2 3.92Å; M188-V195 HydrophobicContact SD-CG2 4.29Å; V195-V197 PolarHBondContact O-N 2.74Å
196A77.2Confident81.1Confident49 Ų4973.6 Ų73.641%0.40537%0.369SS..EExtended strand (participates in β ladder)trans-65.4124.2171.900000109.2E183 L184 F185E183-A196 HydrophobicContact CG-CB 4.14Å; E183-A196 WeakPolarHBondContact OE1-CB 3.47Å; L184-A196 WeakPolarHBondContact O-CA 3.23Å; F185-A196 HydrophobicContact CE1-CB 4.36Å
197V76.3Confident82Confident71 Ų7172.1 Ų72.143%0.4337%0.367SS..EExtended strand (participates in β ladder)trans-111.7-23.5-177-69.30000113.2L184 R186 V195L184-V197 HydrophobicContact CB-CG2 3.81Å; L184-V197 WeakPolarHBondContact O-CG2 3.32Å; L184-V197 PolarHBondContact O-N 3.43Å; R186-V197 HydrophobicContact CB-CG1 3.51Å; R186-V197 HydrophobicContact CB-CG2 4.28Å; V195-V197 PolarHBondContact O-N 2.74Å
198A76.1Confident82.9Confident40 Ų4068.9 Ų68.933%0.33136%0.357SS..EExtended strand (participates in β ladder)trans-155.8153.4177.800000109.9L184L184-A198 HydrophobicContact CB-CB 4.12Å; L184-A198 HydrophobicContact CD1-CB 3.59Å; L184-A198 HydrophobicContact CG-CB 4.34Å; L184-A198 PolarHBondContact N-O 2.84Å
199S83.1Confident84Confident54 Ų5464.2 Ų64.238%0.37833%0.334SS..EExtended strand (participates in β ladder)trans-138.7144.8-177159.60000108H181 I182 P281H181-S199 PolarHBondContact CE1-OG 3.4Å; I182-S199 CarbonylContact O-C 3.6Å; I182-S199 WeakPolarHBondContact O-CA 3.22Å; S199-P281 PolarHBondContact OG-O 3.34Å
200G88.4Confident85.7Confident0 Ų061.2 Ų61.20%032%0.319CS..EExtended strand (participates in β ladder)trans-164.1-169.8175.600000111.3H181 I182H181-G200 PolarHBondContact ND1-O 3.4Å; I182-G200 PolarHBondContact N-O 2.93Å; I182-G200 PolarHBondContact O-N 2.77Å
201S93.8Very high86.9Confident0 Ų051.6 Ų51.60%028%0.277CS..EExtended strand (participates in β ladder)trans-119.5164.7177.9-69.10000111.6V180 T213 G279 S280 G322 S324 G325V180-S201 CarbonylContact O-C 3.54Å; V180-S201 WeakPolarHBondContact O-CA 3.33Å; S201-T213 WeakPolarHBondContact O-CB 3.19Å; S201-T213 PolarHBondContact O-OG1 3.2Å; S201-G279 WeakPolarHBondContact OG-CA 3.44Å; S201-S280 PolarHBondContact OG-N 3.12Å; S201-G322 PolarHBondContact OG-O 3.03Å; S201-S324 WeakPolarHBondContact CB-O 3.35Å; S201-S324 PolarHBondContact N-O 3.39Å; S201-G325 CarbonylContact O-C 3.59Å; S201-G325 VanDerWaalsContact O-CA 3.25Å; S201-G325 WeakPolarHBondContact O-CA 3.46Å
202G95.8Very high88.4Confident0 Ų049 Ų490%026%0.258CS..EExtended strand (participates in β ladder)trans-152.5-177.7167.900000110.7V180 V212 G325V180-G202 PolarHBondContact N-O 3.43Å; V180-G202 PolarHBondContact O-N 3.07Å; G202-V212 VanDerWaalsContact CA-O 3.23Å; G202-V212 WeakPolarHBondContact CA-O 3.18Å; G202-G325 WeakPolarHBondContact CA-O 3.47Å
203F98Very high89.7Confident0 Ų039.6 Ų39.60%022%0.217CC..EExtended strand (participates in β ladder)trans-144.4147.8172.856.6-81.6000111.8A178 V205 I211 V212 L261 L263 P327 V335 I338 I356A178-F203 CarbonylContact O-C 3.58Å; A178-F203 VanDerWaalsContact O-CA 3.29Å; A178-F203 WeakPolarHBondContact O-CA 3.5Å; F203-V205 HydrophobicContact CD2-CG1 3.68Å; F203-V205 HydrophobicContact CE2-CG1 3.47Å; F203-V205 VanDerWaalsContact CE2-CG1 3.47Å; F203-I211 VanDerWaalsContact O-CA 3.29Å; F203-I211 WeakPolarHBondContact O-CA 3.48Å; F203-V212 HydrophobicContact CE1-CB 4.19Å; F203-V212 HydrophobicContact CE1-CG1 4.14Å; F203-V212 HydrophobicContact CE2-CB 4.09Å; F203-V212 HydrophobicContact CZ-CB 3.82Å; F203-V212 HydrophobicContact CZ-CG1 3.83Å; F203-V212 PolarHBondContact N-O 3.3Å; F203-V212 PolarHBondContact O-N 3.16Å; F203-L261 HydrophobicContact CB-CD1 3.97Å; F203-L261 HydrophobicContact CD2-CB 4.41Å; F203-L261 HydrophobicContact CD2-CD1 4.37Å; F203-L261 HydrophobicContact CG-CD1 4.36Å; F203-L263 HydrophobicContact CE2-CD2 4.27Å; F203-P327 HydrophobicContact CB-CB 4.37Å; F203-P327 HydrophobicContact CB-CG 3.94Å; F203-P327 HydrophobicContact CD1-CB 3.62Å; F203-P327 HydrophobicContact CD1-CG 3.94Å; F203-P327 HydrophobicContact CD2-CB 4.48Å; F203-P327 HydrophobicContact CE1-CB 3.96Å; F203-P327 HydrophobicContact CG-CB 3.91Å; F203-P327 HydrophobicContact CG-CG 4.03Å; F203-V335 HydrophobicContact CD2-CG2 4.07Å; F203-V335 HydrophobicContact CE1-CG1 4.43Å; F203-V335 HydrophobicContact CE2-CB 4.4Å; F203-V335 HydrophobicContact CE2-CG1 3.98Å; F203-V335 HydrophobicContact CE2-CG2 3.93Å; F203-V335 HydrophobicContact CZ-CG1 3.79Å; F203-I338 HydrophobicContact CE1-CG1 3.88Å; F203-I338 HydrophobicContact CZ-CG1 4.07Å; F203-I356 HydrophobicContact CZ-CD1 4.36Å
204V98.3Very high90.5Very high1 Ų130.3 Ų30.31%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-78.2127.6-179-173.10000109.7A178 V180 S206 L210 I211 L258 P259 V260 L261A178-V204 PolarHBondContact O-N 3.01Å; V180-V204 HydrophobicContact CG1-CG2 3.94Å; V204-S206 WeakPolarHBondContact CG1-O 3.36Å; V204-L210 WeakPolarHBondContact CA-O 3.45Å; V204-I211 HydrophobicContact CB-CG1 4.47Å; V204-I211 HydrophobicContact CG2-CG1 3.96Å; V204-L258 HydrophobicContact CG1-CB 3.91Å; V204-L258 HydrophobicContact CG1-CD1 3.97Å; V204-L258 HydrophobicContact CG2-CD1 4.06Å; V204-P259 WeakPolarHBondContact CB-O 3.13Å; V204-V260 HydrophobicContact CG1-CG1 4.08Å; V204-L261 PolarHBondContact O-N 3.03Å
205V97.2Very high91.1Very high31 Ų3127.4 Ų27.419%0.18817%0.17CC..  trans-111.7-6179-64.20000113.3F203 L210 V212F203-V205 HydrophobicContact CD2-CG1 3.68Å; F203-V205 HydrophobicContact CE2-CG1 3.47Å; F203-V205 VanDerWaalsContact CE2-CG1 3.47Å; V205-L210 HydrophobicContact CG2-CB 3.89Å; V205-L210 WeakPolarHBondContact CG2-O 3.32Å; V205-L210 PolarHBondContact N-O 3.26Å; V205-V212 HydrophobicContact CB-CG2 4.45Å; V205-V212 HydrophobicContact CG1-CB 4.21Å; V205-V212 HydrophobicContact CG1-CG2 3.72Å; V205-V212 HydrophobicContact CG2-CG2 3.88Å
206S96Very high91.4Very high39 Ų3928.2 Ų28.227%0.27317%0.169SC..SBendtrans-147.4143.3176.5-177.80000111.6V204 D208 G209V204-S206 WeakPolarHBondContact CG1-O 3.36Å; S206-D208 WeakPolarHBondContact CB-OD1 3.25Å; S206-D208 PolarHBondContact O-N 3.33Å; S206-D208 VanDerWaalsContact O-N 3.1Å; S206-D208 PolarHBondContact OG-OD1 3.18Å; S206-G209 PolarHBondContact O-N 3.4Å
207E95.6Very high91.8Very high92 Ų9226.2 Ų26.243%0.4315%0.151SC..THydrogen-bonded Turntrans-61.1-23-176.5-62.5-172.3147.900112.7G209 K257 L258 V260E207-G209 VanDerWaalsContact C-N 3.34Å; E207-K257 HydrophobicContact CB-CB 4.28Å; E207-K257 HydrophobicContact CB-CG 4.36Å; E207-K257 WeakPolarHBondContact O-CA 3.18Å; E207-K257 WeakPolarHBondContact OE2-CD 3.03Å; E207-K257 WeakPolarHBondContact OE2-CE 3.32Å; E207-K257 IonicContact OE2-NZ 2.78Å; E207-K257 PolarHBondContact OE2-NZ 3.16Å; E207-L258 PolarHBondContact O-N 3.18Å; E207-V260 HydrophobicContact CB-CG1 4.45Å; E207-V260 HydrophobicContact CG-CG1 3.95Å; E207-V260 VanDerWaalsContact N-CG1 3.32Å
208D93.4Very high92.2Very high81 Ų8122.9 Ų22.943%0.43313%0.131SC..THydrogen-bonded Turntrans-84.9-1.5-179.777.7-36.5000113.9S206 K251S206-D208 WeakPolarHBondContact CB-OD1 3.25Å; S206-D208 PolarHBondContact O-N 3.33Å; S206-D208 VanDerWaalsContact O-N 3.1Å; S206-D208 PolarHBondContact OG-OD1 3.18Å; D208-K251 WeakPolarHBondContact O-CE 3.41Å; D208-K251 PolarHBondContact O-NZ 3.27Å; D208-K251 WeakPolarHBondContact OD2-CE 3.18Å
209G96.1Very high91.8Very high0 Ų022.8 Ų22.80%013%0.13CC..SBendtrans106.119.7172.900000116.3S206 E207 K251 I252S206-G209 PolarHBondContact O-N 3.4Å; E207-G209 VanDerWaalsContact C-N 3.34Å; G209-K251 WeakPolarHBondContact O-CA 3.42Å; G209-K251 WeakPolarHBondContact O-CD 3.43Å; G209-I252 PolarHBondContact O-N 3.35Å
210L97.3Very high90.7Very high42 Ų4225.5 Ų25.522%0.2214%0.141CC..EExtended strand (participates in β ladder)trans-73.7131.5167.2-67.2169.7000110.7V204 V205 L249 K251V204-L210 WeakPolarHBondContact CA-O 3.45Å; V205-L210 HydrophobicContact CG2-CB 3.89Å; V205-L210 WeakPolarHBondContact CG2-O 3.32Å; V205-L210 PolarHBondContact N-O 3.26Å; L210-L249 HydrophobicContact CB-CD1 4.23Å; L210-L249 HydrophobicContact CD2-CD1 4.18Å; L210-L249 HydrophobicContact CD2-CD2 4.27Å; L210-L249 HydrophobicContact CD2-CG 4.22Å; L210-K251 HydrophobicContact CD2-CB 4.24Å; L210-K251 HydrophobicContact CD2-CD 3.92Å; L210-K251 HydrophobicContact CG-CD 4.21Å
211I98.1Very high89.2Confident0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans-129.6136.2-177.1-68.2157000109.3V180 I182 F203 V204 V226 I250 I252V180-I211 HydrophobicContact CG2-CD1 4.21Å; V180-I211 HydrophobicContact CG2-CG1 4.47Å; V180-I211 HydrophobicContact CG2-CG2 3.83Å; I182-I211 HydrophobicContact CD1-CG2 4.38Å; F203-I211 VanDerWaalsContact O-CA 3.29Å; F203-I211 WeakPolarHBondContact O-CA 3.48Å; V204-I211 HydrophobicContact CB-CG1 4.47Å; V204-I211 HydrophobicContact CG2-CG1 3.96Å; I211-V226 HydrophobicContact CD1-CB 4.48Å; I211-V226 HydrophobicContact CD1-CG1 3.78Å; I211-V226 HydrophobicContact CD1-CG2 4.15Å; I211-I250 HydrophobicContact CB-CD1 4.27Å; I211-I250 HydrophobicContact CB-CG1 3.68Å; I211-I250 HydrophobicContact CG2-CD1 4.02Å; I211-I250 HydrophobicContact CG2-CG1 3.9Å; I211-I250 PolarHBondContact N-O 2.81Å; I211-I250 PolarHBondContact O-N 3.09Å; I211-I252 HydrophobicContact CD1-CD1 3.78Å; I211-I252 HydrophobicContact CD1-CG1 3.88Å; I211-I252 HydrophobicContact CD1-CG2 4.26Å
212V98Very high88Confident0 Ų034.5 Ų34.50%018%0.181CC..EExtended strand (participates in β ladder)trans-102.7141.4173174.70000109.8G202 F203 V205 I247 A248 L249 I338 I356 L360G202-V212 VanDerWaalsContact CA-O 3.23Å; G202-V212 WeakPolarHBondContact CA-O 3.18Å; F203-V212 HydrophobicContact CE1-CB 4.19Å; F203-V212 HydrophobicContact CE1-CG1 4.14Å; F203-V212 HydrophobicContact CE2-CB 4.09Å; F203-V212 HydrophobicContact CZ-CB 3.82Å; F203-V212 HydrophobicContact CZ-CG1 3.83Å; F203-V212 PolarHBondContact N-O 3.3Å; F203-V212 PolarHBondContact O-N 3.16Å; V205-V212 HydrophobicContact CB-CG2 4.45Å; V205-V212 HydrophobicContact CG1-CB 4.21Å; V205-V212 HydrophobicContact CG1-CG2 3.72Å; V205-V212 HydrophobicContact CG2-CG2 3.88Å; V212-I247 HydrophobicContact CG1-CG2 4.11Å; V212-A248 WeakPolarHBondContact CA-O 3.48Å; V212-L249 HydrophobicContact CG2-CD1 4.09Å; V212-I338 HydrophobicContact CG1-CD1 3.57Å; V212-I338 HydrophobicContact CG1-CG1 4.11Å; V212-I356 HydrophobicContact CG1-CG2 4.05Å; V212-I356 HydrophobicContact CG2-CG2 4.3Å; V212-L360 HydrophobicContact CG2-CD2 4.05Å
213T95.8Very high87.4Confident0 Ų039.3 Ų39.30%020%0.199CC..EExtended strand (participates in β ladder)trans-153.5-174.4173.4-173.30000109.8I182 S201 V218 A248I182-T213 HydrophobicContact CD1-CG2 3.69Å; S201-T213 WeakPolarHBondContact O-CB 3.19Å; S201-T213 PolarHBondContact O-OG1 3.2Å; T213-V218 HydrophobicContact CG2-CG1 3.82Å; T213-A248 HydrophobicContact CG2-CB 4.18Å; T213-A248 PolarHBondContact N-O 3.19Å; T213-A248 VanDerWaalsContact N-O 3.08Å; T213-A248 PolarHBondContact O-N 2.84Å
214N91.3Very high87Confident0 Ų039.4 Ų39.40%020%0.2CC..  trans-79.9152.1171.6-67.3127.9000112.8H216 V217 D246 G325 I338 N339 I351N214-H216 VanDerWaalsContact C-N 3.33Å; N214-H216 VanDerWaalsContact CB-CE1 3.42Å; N214-H216 WeakPolarHBondContact CB-CE1 3.42Å; N214-H216 WeakPolarHBondContact CB-ND1 3.5Å; N214-H216 PolarHBondContact O-N 2.88Å; N214-V217 HydrophobicContact CB-CG2 4.03Å; N214-V217 PolarHBondContact O-N 2.91Å; N214-D246 WeakPolarHBondContact CA-O 3.3Å; N214-D246 PolarHBondContact ND2-O 3.01Å; N214-G325 WeakPolarHBondContact OD1-CA 3.46Å; N214-G325 PolarHBondContact OD1-N 3.44Å; N214-I338 VanDerWaalsContact ND2-CG2 3.33Å; N214-I338 WeakPolarHBondContact ND2-CG2 3.36Å; N214-N339 PolarHBondContact OD1-O 2.95Å; N214-I351 VanDerWaalsContact ND2-CD1 3.26Å; N214-I351 WeakPolarHBondContact ND2-CD1 3.41Å
215A89Confident86.7Confident6 Ų641.9 Ų41.95%0.0521%0.21CC..Hα-helixtrans-63.6-40.3176.600000111.7V217 V218 A219 I241 D246A215-V217 PolarHBondContact O-N 2.86Å; A215-V218 PolarHBondContact O-N 3.45Å; A215-A219 PolarHBondContact O-N 2.97Å; A215-I241 HydrophobicContact CB-CG2 3.66Å; A215-D246 WeakPolarHBondContact CA-OD1 3.43Å; A215-D246 WeakPolarHBondContact CB-OD1 3.46Å; A215-D246 PolarHBondContact N-O 2.87Å; A215-D246 PolarHBondContact N-OD1 3.38Å
216H85.1Confident86.6Confident86 Ų8640.4 Ų40.440%0.39820%0.201SC..Hα-helixtrans-65.3-24.6178.973.4-98.9000113.6N214 V218 D246 S324N214-H216 VanDerWaalsContact C-N 3.33Å; N214-H216 VanDerWaalsContact CB-CE1 3.42Å; N214-H216 WeakPolarHBondContact CB-CE1 3.42Å; N214-H216 WeakPolarHBondContact CB-ND1 3.5Å; N214-H216 PolarHBondContact O-N 2.88Å; H216-V218 VanDerWaalsContact C-N 3.29Å; H216-V218 PolarHBondContact O-N 2.8Å; H216-D246 IonicContact CE1-OD2 2.9Å; H216-D246 PolarHBondContact CE1-OD2 2.83Å; H216-D246 IonicContact CG-OD1 3.32Å; H216-D246 IonicContact CG-OD2 3.29Å; H216-D246 PolarHBondContact N-OD1 2.91Å; H216-D246 IonicContact ND1-OD1 3.02Å; H216-D246 PolarHBondContact ND1-OD1 3.11Å; H216-D246 IonicContact ND1-OD2 3.59Å; H216-D246 PolarHBondContact ND1-OD2 2.97Å; H216-S324 PolarHBondContact NE2-OG 3.11Å
217V85.3Confident86.5Confident7 Ų739.5 Ų39.54%0.04219%0.193CC..Hα-helixtrans-70.6-27177.3172.10000111.5I182 L184 N214 A215I182-V217 HydrophobicContact CB-CG1 4.12Å; I182-V217 HydrophobicContact CD1-CG1 4.48Å; I182-V217 HydrophobicContact CG2-CG1 3.98Å; L184-V217 WeakPolarHBondContact CD1-O 3.5Å; L184-V217 WeakPolarHBondContact CG-O 3.39Å; N214-V217 HydrophobicContact CB-CG2 4.03Å; N214-V217 PolarHBondContact O-N 2.91Å; A215-V217 PolarHBondContact O-N 2.86Å
218V84.5Confident86.3Confident1 Ų136.1 Ų36.11%0.00618%0.177CC..Hα-helixtrans-115.68.7-177.8-61.90000113.4I182 T213 A215 H216 V224 I238 I241 A248 I250I182-V218 HydrophobicContact CG2-CG1 4.23Å; T213-V218 HydrophobicContact CG2-CG1 3.82Å; A215-V218 PolarHBondContact O-N 3.45Å; H216-V218 VanDerWaalsContact C-N 3.29Å; H216-V218 PolarHBondContact O-N 2.8Å; V218-V224 HydrophobicContact CG1-CG1 4.31Å; V218-V224 HydrophobicContact CG1-CG2 4.48Å; V218-I238 HydrophobicContact CB-CD1 4.44Å; V218-I241 HydrophobicContact CG2-CD1 4.41Å; V218-A248 HydrophobicContact CG2-CB 3.43Å; V218-A248 VanDerWaalsContact CG2-CB 3.43Å; V218-I250 HydrophobicContact CG1-CG2 4.19Å
219A67.8Low86.1Confident38 Ų3837.1 Ų37.131%0.31418%0.178SC..  trans-63.5150.9-179.900000112A215A215-A219 PolarHBondContact O-N 2.97Å
220N60.7Low85.8Confident112 Ų11241.6 Ų41.660%0.59921%0.209SC*.SBendtrans83.531.3172.1-56.4-37.6000119.7H222N220-H222 PolarHBondContact O-N 2.89Å
221K57Low85.4Confident136 Ų13641 Ų4159%0.59121%0.214SC*.SBendtrans5127.8165-61.2-166.8174.3-162.40115.3D475K221-D475 PolarHBondContact NZ-O 3.43Å
222H67.8Low85Confident52 Ų5242.6 Ų42.624%0.24123%0.226CC..PPolyproline II helixtrans-82.9160.7172.8-69.8-38.2000110.4L184 F185 N220 V224L184-H222 HydrophobicContact CB-CB 4.33Å; L184-H222 HydrophobicContact CD2-CB 4.02Å; F185-H222 WeakPolarHBondContact O-CB 3.33Å; N220-H222 PolarHBondContact O-N 2.89Å; H222-V224 PolarHBondContact O-N 3.17Å
223R82.9Confident84.8Confident101 Ų10146.7 Ų46.738%0.38125%0.251SS..EExtended strand (participates in β ladder)trans-70.2118.3176.7-159.1171.788.1-132.8-20107.5F185 E194 D235F185-R223 PolarHBondContact N-O 2.88Å; F185-R223 PolarHBondContact O-N 3.47Å; F185-R223 VanDerWaalsContact O-N 3.16Å; E194-R223 VanDerWaalsContact CD-NH2 3.34Å; E194-R223 IonicContact OE1-CZ 2.85Å; E194-R223 VanDerWaalsContact OE1-CZ 3.25Å; E194-R223 IonicContact OE1-NH1 3.7Å; E194-R223 PolarHBondContact OE1-NH1 2.99Å; E194-R223 IonicContact OE1-NH2 3.98Å; E194-R223 PolarHBondContact OE1-NH2 3.47Å; E194-R223 IonicContact OE2-CZ 2.64Å; E194-R223 IonicContact OE2-NH1 3.88Å; E194-R223 IonicContact OE2-NH2 3.69Å; E194-R223 PolarHBondContact OE2-NH2 2.96Å; R223-D235 WeakPolarHBondContact CD-OD1 3.39Å; R223-D235 IonicContact CZ-OD1 3.43Å; R223-D235 IonicContact NE-OD1 3.79Å; R223-D235 PolarHBondContact NE-OD1 3.39Å; R223-D235 IonicContact NE-OD2 3.18Å; R223-D235 IonicContact NH2-OD1 2.74Å
224V89.9Confident84.8Confident3 Ų349.5 Ų49.52%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-86.7124.5178.9-1720000107.8I182 L184 V218 H222 A236 I238 I250I182-V224 HydrophobicContact CG2-CG1 3.67Å; L184-V224 HydrophobicContact CD2-CB 4.48Å; L184-V224 HydrophobicContact CD2-CG2 3.72Å; V218-V224 HydrophobicContact CG1-CG1 4.31Å; V218-V224 HydrophobicContact CG1-CG2 4.48Å; H222-V224 PolarHBondContact O-N 3.17Å; V224-A236 HydrophobicContact CB-CB 4.12Å; V224-A236 HydrophobicContact CG1-CB 4Å; V224-A236 PolarHBondContact O-N 3.3Å; V224-I238 HydrophobicContact CG2-CD1 4.41Å; V224-I238 HydrophobicContact CG2-CG1 4.39Å; V224-I250 HydrophobicContact CG1-CD1 4.34Å
225K92.4Very high84.9Confident53 Ų5353.9 Ų53.923%0.2329%0.286CS..EExtended strand (participates in β ladder)trans-108.3145.6165.4-68.9-166.7-171.8173.10110.1I182 E183 F185 Y234I182-K225 WeakPolarHBondContact CA-O 3.5Å; E183-K225 PolarHBondContact N-O 2.71Å; E183-K225 PolarHBondContact O-N 3Å; F185-K225 HydrophobicContact CD2-CB 4.23Å; F185-K225 HydrophobicContact CD2-CD 3.96Å; F185-K225 HydrophobicContact CD2-CG 3.87Å; F185-K225 HydrophobicContact CE2-CB 3.9Å; F185-K225 HydrophobicContact CE2-CD 3.56Å; F185-K225 HydrophobicContact CE2-CG 3.81Å; F185-K225 HydrophobicContact CZ-CD 4.27Å; K225-Y234 WeakPolarHBondContact CA-O 3.49Å
226V94.4Very high85.2Confident0 Ų054.3 Ų54.30%029%0.289CS..EExtended strand (participates in β ladder)trans-117.5131.5172.51760000108.1V180 H181 I182 I211 L228 T233 Y234 A236 I250 I252V180-V226 HydrophobicContact CB-CG1 3.66Å; V180-V226 HydrophobicContact CG1-CG1 4.04Å; V180-V226 HydrophobicContact CG2-CG1 3.8Å; H181-V226 CarbonylContact O-C 3.59Å; H181-V226 VanDerWaalsContact O-CA 3.31Å; H181-V226 WeakPolarHBondContact O-CA 3.49Å; I182-V226 HydrophobicContact CG1-CG2 4.4Å; I211-V226 HydrophobicContact CD1-CB 4.48Å; I211-V226 HydrophobicContact CD1-CG1 3.78Å; I211-V226 HydrophobicContact CD1-CG2 4.15Å; V226-L228 HydrophobicContact CG1-CD2 4.34Å; V226-T233 CarbonylContact O-C 3.44Å; V226-T233 VanDerWaalsContact O-CA 3.3Å; V226-T233 WeakPolarHBondContact O-CA 3.31Å; V226-Y234 PolarHBondContact N-O 2.97Å; V226-Y234 PolarHBondContact O-N 3.15Å; V226-A236 HydrophobicContact CG2-CB 3.72Å; V226-I250 HydrophobicContact CG2-CD1 3.68Å; V226-I252 HydrophobicContact CB-CG2 3.91Å; V226-I252 HydrophobicContact CG1-CD1 4.36Å; V226-I252 HydrophobicContact CG2-CG2 3.85Å
227E93.7Very high85.5Confident19 Ų1956.3 Ų56.39%0.08930%0.297CS..EExtended strand (participates in β ladder)trans-111.1127.6171.3-172.7-173.4154.100109.8H181 A232 T233 S283H181-E227 HydrophobicContact CB-CB 4.17Å; H181-E227 IonicContact CD2-OE2 3.43Å; H181-E227 PolarHBondContact N-O 2.88Å; H181-E227 PolarHBondContact O-N 2.85Å; E227-A232 WeakPolarHBondContact CA-O 3.21Å; E227-T233 HydrophobicContact CB-CG2 3.92Å; E227-T233 HydrophobicContact CG-CG2 3.82Å; E227-S283 VanDerWaalsContact OE1-CA 3.28Å; E227-S283 WeakPolarHBondContact OE1-CA 3.3Å; E227-S283 WeakPolarHBondContact OE1-CB 3.15Å; E227-S283 WeakPolarHBondContact OE2-CA 3.44Å; E227-S283 WeakPolarHBondContact OE2-CB 3.36Å; E227-S283 PolarHBondContact OE2-OG 3.08Å
228L92.9Very high85.8Confident21 Ų2158.8 Ų58.811%0.1131%0.309CS..  trans-83.6164.1176.7-55.4-176.3000110.9V180 V226 S230 G231 A232 Y234 I252 L258V180-L228 HydrophobicContact CG1-CD2 3.54Å; V226-L228 HydrophobicContact CG1-CD2 4.34Å; L228-S230 PolarHBondContact O-N 3.08Å; L228-G231 PolarHBondContact O-N 2.95Å; L228-A232 PolarHBondContact N-O 3.2Å; L228-Y234 HydrophobicContact CD1-CD2 4.25Å; L228-Y234 HydrophobicContact CD1-CE2 3.63Å; L228-Y234 HydrophobicContact CG-CD2 4.25Å; L228-Y234 HydrophobicContact CG-CE2 4.04Å; L228-I252 HydrophobicContact CD2-CD1 4.07Å; L228-L258 HydrophobicContact CD1-CD2 3.8Å
229K89.2Confident86.1Confident103 Ų10363.2 Ų63.245%0.44833%0.328SS..THydrogen-bonded Turntrans-52.4-27.3173.5-177178.1178.8-177.70113.9A176 P177 G231A176-K229 HydrophobicContact CB-CD 4.3Å; P177-K229 HydrophobicContact CB-CD 4.44Å; P177-K229 HydrophobicContact CG-CD 4.34Å; K229-G231 PolarHBondContact O-N 3.02Å
230S88.3Confident87.2Confident94 Ų9461.7 Ų61.766%0.65732%0.315SS*.THydrogen-bonded Turntrans-72.3-9176.260.60000114.4L228 A232L228-S230 PolarHBondContact O-N 3.08Å; S230-A232 VanDerWaalsContact C-N 3.3Å; S230-A232 WeakPolarHBondContact OG-CB 3.33Å; S230-A232 PolarHBondContact OG-N 3.39Å
231G89.2Confident88.5Confident30 Ų3058 Ų5831%0.30930%0.295SS..SBendtrans84.1-1-170.900000114.1L228 K229L228-G231 PolarHBondContact O-N 2.95Å; K229-G231 PolarHBondContact O-N 3.02Å
232A90.9Very high89.9Confident32 Ų3254.2 Ų54.226%0.26428%0.281SS..  trans-71.7133.7176.200000110.9E227 L228 S230 Y234E227-A232 WeakPolarHBondContact CA-O 3.21Å; L228-A232 PolarHBondContact N-O 3.2Å; S230-A232 VanDerWaalsContact C-N 3.3Å; S230-A232 WeakPolarHBondContact OG-CB 3.33Å; S230-A232 PolarHBondContact OG-N 3.39Å; A232-Y234 HydrophobicContact CB-CE2 3.67Å
233T93.1Very high90.7Very high86 Ų8658 Ų5853%0.52830%0.299SS..EExtended strand (participates in β ladder)trans-111.8139.9-178.354.70000111.8V226 E227V226-T233 CarbonylContact O-C 3.44Å; V226-T233 VanDerWaalsContact O-CA 3.3Å; V226-T233 WeakPolarHBondContact O-CA 3.31Å; E227-T233 HydrophobicContact CB-CG2 3.92Å; E227-T233 HydrophobicContact CG-CG2 3.82Å
234Y94.9Very high90.5Very high59 Ų5959.6 Ų59.623%0.23131%0.309CS..EExtended strand (participates in β ladder)trans-136.6142.8-178.2-61.2-88.9000110.7K225 V226 L228 A232 I252 V254K225-Y234 WeakPolarHBondContact CA-O 3.49Å; V226-Y234 PolarHBondContact N-O 2.97Å; V226-Y234 PolarHBondContact O-N 3.15Å; L228-Y234 HydrophobicContact CD1-CD2 4.25Å; L228-Y234 HydrophobicContact CD1-CE2 3.63Å; L228-Y234 HydrophobicContact CG-CD2 4.25Å; L228-Y234 HydrophobicContact CG-CE2 4.04Å; A232-Y234 HydrophobicContact CB-CE2 3.67Å; Y234-I252 HydrophobicContact CD2-CD1 4.29Å; Y234-I252 HydrophobicContact CG-CD1 4.47Å; Y234-V254 HydrophobicContact CD1-CG1 3.97Å; Y234-V254 HydrophobicContact CD2-CG1 4.15Å; Y234-V254 HydrophobicContact CE1-CB 4.46Å; Y234-V254 HydrophobicContact CE1-CG1 3.77Å; Y234-V254 HydrophobicContact CE2-CG1 3.96Å; Y234-V254 HydrophobicContact CG-CG1 4.15Å
235D94.1Very high90.1Very high93 Ų9359.8 Ų59.850%0.49731%0.311SS..EExtended strand (participates in β ladder)trans-73.5132.2167.8-72.7-50.8000109.4R223R223-D235 WeakPolarHBondContact CD-OD1 3.39Å; R223-D235 IonicContact CZ-OD1 3.43Å; R223-D235 IonicContact NE-OD1 3.79Å; R223-D235 PolarHBondContact NE-OD1 3.39Å; R223-D235 IonicContact NE-OD2 3.18Å; R223-D235 IonicContact NH2-OD1 2.74Å
236A94.5Very high89.8Confident14 Ų1458.7 Ų58.712%0.11631%0.307CS..EExtended strand (participates in β ladder)trans-107.1143.9-179.700000111.8V224 V226 I250 K251 I252V224-A236 HydrophobicContact CB-CB 4.12Å; V224-A236 HydrophobicContact CG1-CB 4Å; V224-A236 PolarHBondContact O-N 3.3Å; V226-A236 HydrophobicContact CG2-CB 3.72Å; A236-I250 HydrophobicContact CB-CB 4.38Å; A236-I250 HydrophobicContact CB-CD1 4.02Å; A236-I250 HydrophobicContact CB-CG1 4.42Å; A236-K251 WeakPolarHBondContact CA-O 3.31Å; A236-I252 HydrophobicContact CB-CG2 3.64Å
237K92.6Very high89.7Confident129 Ų12958.8 Ų58.856%0.56131%0.307SS*.EExtended strand (participates in β ladder)trans-105.4131.4171.9-65.9174.3-174.9160.40109.2K239 I250 K251K237-K239 PolarHBondContact O-N 3.04Å; K237-I250 CarbonylContact O-C 3.57Å; K237-I250 VanDerWaalsContact O-CA 3.29Å; K237-I250 WeakPolarHBondContact O-CA 3.03Å; K237-K251 PolarHBondContact N-O 2.92Å; K237-K251 PolarHBondContact O-N 2.86Å
238I90.9Very high89.7Confident59 Ų5957.9 Ų57.930%0.30330%0.303SS..EExtended strand (participates in β ladder)trans-69.3127.7171.3-59.1171.8000107.9V218 V224 I241 I250V218-I238 HydrophobicContact CB-CD1 4.44Å; V224-I238 HydrophobicContact CG2-CD1 4.41Å; V224-I238 HydrophobicContact CG2-CG1 4.39Å; I238-I241 HydrophobicContact CD1-CD1 4.26Å; I238-I241 HydrophobicContact CG2-CD1 3.49Å; I238-I241 VanDerWaalsContact CG2-CD1 3.49Å; I238-I241 HydrophobicContact CG2-CG1 3.55Å; I238-I250 HydrophobicContact CG1-CG2 4.2Å
239K90.9Very high89.8Confident93 Ų9357 Ų5740%0.40430%0.299SS..EExtended strand (participates in β ladder)trans-102.6-37.4178.9-70.7-64.4-173171.70112.2K237 L249 K251K237-K239 PolarHBondContact O-N 3.04Å; K239-L249 HydrophobicContact CB-CB 4.34Å; K239-L249 HydrophobicContact CB-CD2 4.17Å; K239-L249 HydrophobicContact CB-CG 4.09Å; K239-L249 PolarHBondContact N-O 2.95Å; K239-K251 HydrophobicContact CD-CB 4.2Å; K239-K251 VanDerWaalsContact CE-CB 3.47Å; K239-K251 HydrophobicContact CG-CB 3.68Å
240D90.3Very high90.1Very high7 Ų752.1 Ų52.14%0.03728%0.278CS..EExtended strand (participates in β ladder)trans-161.8151.4-180-150.8-23.2000110.8A248 L249 F359 S363 R366D240-A248 WeakPolarHBondContact O-CA 2.9Å; D240-L249 HydrophobicContact CB-CB 4.17Å; D240-L249 PolarHBondContact N-O 3.42Å; D240-L249 PolarHBondContact O-N 3.42Å; D240-F359 HydrophobicContact CB-CE2 4.22Å; D240-F359 HydrophobicContact CB-CZ 3.82Å; D240-S363 VanDerWaalsContact CB-OG 3.24Å; D240-S363 WeakPolarHBondContact CB-OG 3.44Å; D240-S363 VanDerWaalsContact OD2-CA 3.29Å; D240-S363 WeakPolarHBondContact OD2-CA 3.44Å; D240-S363 WeakPolarHBondContact OD2-CB 3.41Å; D240-S363 PolarHBondContact OD2-OG 2.96Å; D240-R366 IonicContact OD1-NE 3.25Å; D240-R366 IonicContact OD1-NH2 3.91Å; D240-R366 IonicContact OD2-CZ 3.57Å; D240-R366 VanDerWaalsContact OD2-CZ 3.25Å; D240-R366 IonicContact OD2-NE 3.54Å; D240-R366 PolarHBondContact OD2-NE 2.82Å; D240-R366 IonicContact OD2-NH2 3.88Å; D240-R366 PolarHBondContact OD2-NH2 2.83Å
241I88.9Confident90.5Very high35 Ų3549 Ų4918%0.17925%0.252CS..EExtended strand (participates in β ladder)trans-143.2128.1178.9-62.1174.1000109.3A215 V218 I238 E243 A248A215-I241 HydrophobicContact CB-CG2 3.66Å; V218-I241 HydrophobicContact CG2-CD1 4.41Å; I238-I241 HydrophobicContact CD1-CD1 4.26Å; I238-I241 HydrophobicContact CG2-CD1 3.49Å; I238-I241 VanDerWaalsContact CG2-CD1 3.49Å; I238-I241 HydrophobicContact CG2-CG1 3.55Å; I241-E243 HydrophobicContact CG2-CG 3.93Å; I241-A248 HydrophobicContact CG1-CB 4.05Å
242D86.6Confident90.9Very high55 Ų5547.5 Ų47.529%0.29424%0.237SC..EExtended strand (participates in β ladder)trans-111.299.5163.3-173.3-13.1000109.8K244 A245 D246 I247 F359D242-K244 VanDerWaalsContact C-N 3.27Å; D242-K244 PolarHBondContact O-N 3.3Å; D242-K244 WeakPolarHBondContact OD1-CA 3.38Å; D242-K244 WeakPolarHBondContact OD1-CB 3.39Å; D242-K244 PolarHBondContact OD1-N 2.86Å; D242-A245 HydrophobicContact CB-CB 4.09Å; D242-A245 PolarHBondContact O-N 2.94Å; D242-A245 PolarHBondContact OD1-N 2.9Å; D242-A245 WeakPolarHBondContact OD2-CB 3.35Å; D242-D246 WeakPolarHBondContact O-CA 3.32Å; D242-D246 PolarHBondContact O-N 3.23Å; D242-I247 PolarHBondContact N-O 3Å; D242-I247 PolarHBondContact O-N 3.23Å; D242-F359 HydrophobicContact CB-CD2 3.85Å; D242-F359 HydrophobicContact CB-CE2 3.83Å
243E83.8Confident91.1Very high132 Ų13250.7 Ų50.762%0.61725%0.25SC*.THydrogen-bonded Turntrans-68.1-25.4177.1-64.6168.8157.100112.8I241 K376I241-E243 HydrophobicContact CG2-CG 3.93Å; E243-K376 IonicContact OE1-NZ 3.53Å; E243-K376 IonicContact OE2-NZ 2.68Å; E243-K376 PolarHBondContact OE2-NZ 3.1Å
244K78.9Confident91.1Very high135 Ų13548 Ų4859%0.58723%0.233SC*.THydrogen-bonded Turntrans-74.1-40.4178.6-174.7-178.2179.1-177.50109.9D242 D309D242-K244 VanDerWaalsContact C-N 3.27Å; D242-K244 PolarHBondContact O-N 3.3Å; D242-K244 WeakPolarHBondContact OD1-CA 3.38Å; D242-K244 WeakPolarHBondContact OD1-CB 3.39Å; D242-K244 PolarHBondContact OD1-N 2.86Å; K244-D309 IonicContact NZ-OD2 2.82Å
245A81Confident90.9Very high7 Ų750.7 Ų50.76%0.05826%0.258CS..THydrogen-bonded Turntrans-84.3-12.5176.100000113.8D242 I247 M310 I351D242-A245 HydrophobicContact CB-CB 4.09Å; D242-A245 PolarHBondContact O-N 2.94Å; D242-A245 PolarHBondContact OD1-N 2.9Å; D242-A245 WeakPolarHBondContact OD2-CB 3.35Å; A245-I247 VanDerWaalsContact C-N 3.35Å; A245-I247 HydrophobicContact CB-CD1 3.88Å; A245-I247 HydrophobicContact CB-CG1 3.9Å; A245-M310 VanDerWaalsContact CA-CE 3.42Å; A245-M310 HydrophobicContact CB-CE 4.06Å; A245-M310 HydrophobicContact CB-SD 3.78Å; A245-M310 WeakPolarHBondContact O-CE 3.36Å; A245-I351 WeakPolarHBondContact O-CD1 3.3Å
246D86.9Confident90.8Very high30 Ų3050.7 Ų50.716%0.1626%0.261CS..THydrogen-bonded Turntrans56.145-170.9-166.624.8000112.9N214 A215 H216 D242 T340 I351N214-D246 WeakPolarHBondContact CA-O 3.3Å; N214-D246 PolarHBondContact ND2-O 3.01Å; A215-D246 WeakPolarHBondContact CA-OD1 3.43Å; A215-D246 WeakPolarHBondContact CB-OD1 3.46Å; A215-D246 PolarHBondContact N-O 2.87Å; A215-D246 PolarHBondContact N-OD1 3.38Å; H216-D246 IonicContact CE1-OD2 2.9Å; H216-D246 PolarHBondContact CE1-OD2 2.83Å; H216-D246 IonicContact CG-OD1 3.32Å; H216-D246 IonicContact CG-OD2 3.29Å; H216-D246 PolarHBondContact N-OD1 2.91Å; H216-D246 IonicContact ND1-OD1 3.02Å; H216-D246 PolarHBondContact ND1-OD1 3.11Å; H216-D246 IonicContact ND1-OD2 3.59Å; H216-D246 PolarHBondContact ND1-OD2 2.97Å; D242-D246 WeakPolarHBondContact O-CA 3.32Å; D242-D246 PolarHBondContact O-N 3.23Å; D246-T340 WeakPolarHBondContact OD2-CG2 3.38Å; D246-I351 HydrophobicContact CB-CD1 4.2Å; D246-I351 VanDerWaalsContact O-CD1 3.32Å; D246-I351 WeakPolarHBondContact O-CD1 3.34Å
247I92.1Very high90.8Very high1 Ų157.3 Ų57.31%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-120.3138.3177.8-50.3174.4000109.3V212 D242 A245 I338 I351 I356 F359V212-I247 HydrophobicContact CG1-CG2 4.11Å; D242-I247 PolarHBondContact N-O 3Å; D242-I247 PolarHBondContact O-N 3.23Å; A245-I247 VanDerWaalsContact C-N 3.35Å; A245-I247 HydrophobicContact CB-CD1 3.88Å; A245-I247 HydrophobicContact CB-CG1 3.9Å; I247-I338 HydrophobicContact CG1-CD1 4.15Å; I247-I338 HydrophobicContact CG2-CD1 4.01Å; I247-I351 HydrophobicContact CD1-CG2 3.83Å; I247-I351 HydrophobicContact CG1-CD1 4.08Å; I247-I351 HydrophobicContact CG1-CG2 4.07Å; I247-I356 HydrophobicContact CD1-CG1 4.43Å; I247-F359 HydrophobicContact CB-CD1 4.33Å; I247-F359 HydrophobicContact CB-CE1 4.41Å; I247-F359 HydrophobicContact CB-CG 4.42Å; I247-F359 HydrophobicContact CD1-CB 4.24Å; I247-F359 HydrophobicContact CG2-CD1 3.55Å; I247-F359 HydrophobicContact CG2-CE1 3.62Å; I247-F359 HydrophobicContact CG2-CG 4.09Å; I247-F359 HydrophobicContact CG2-CZ 4.26Å
248A93.5Very high90.9Very high0 Ų051.8 Ų51.80%026%0.264CS..EExtended strand (participates in β ladder)trans-130.9145.9170.400000111.9V212 T213 V218 D240 I241V212-A248 WeakPolarHBondContact CA-O 3.48Å; T213-A248 HydrophobicContact CG2-CB 4.18Å; T213-A248 PolarHBondContact N-O 3.19Å; T213-A248 VanDerWaalsContact N-O 3.08Å; T213-A248 PolarHBondContact O-N 2.84Å; V218-A248 HydrophobicContact CG2-CB 3.43Å; V218-A248 VanDerWaalsContact CG2-CB 3.43Å; D240-A248 WeakPolarHBondContact O-CA 2.9Å; I241-A248 HydrophobicContact CG1-CB 4.05Å
249L95.8Very high91.2Very high4 Ų452 Ų522%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-109.9123.9170.9-172.962000108.8L210 V212 K239 D240 F359 L360L210-L249 HydrophobicContact CB-CD1 4.23Å; L210-L249 HydrophobicContact CD2-CD1 4.18Å; L210-L249 HydrophobicContact CD2-CD2 4.27Å; L210-L249 HydrophobicContact CD2-CG 4.22Å; V212-L249 HydrophobicContact CG2-CD1 4.09Å; K239-L249 HydrophobicContact CB-CB 4.34Å; K239-L249 HydrophobicContact CB-CD2 4.17Å; K239-L249 HydrophobicContact CB-CG 4.09Å; K239-L249 PolarHBondContact N-O 2.95Å; D240-L249 HydrophobicContact CB-CB 4.17Å; D240-L249 PolarHBondContact N-O 3.42Å; D240-L249 PolarHBondContact O-N 3.42Å; L249-F359 HydrophobicContact CB-CE1 3.83Å; L249-F359 HydrophobicContact CB-CZ 4.09Å; L249-L360 HydrophobicContact CD1-CD2 3.71Å; L249-L360 HydrophobicContact CD2-CD2 4.12Å; L249-L360 HydrophobicContact CG-CD2 4.45Å
250I95.5Very high91.5Very high0 Ų049.9 Ų49.90%026%0.264CS..EExtended strand (participates in β ladder)trans-121.9159.4173.870.8-179.3000110.4I182 I211 V218 V224 V226 A236 K237 I238I182-I250 HydrophobicContact CD1-CD1 3.87Å; I211-I250 HydrophobicContact CB-CD1 4.27Å; I211-I250 HydrophobicContact CB-CG1 3.68Å; I211-I250 HydrophobicContact CG2-CD1 4.02Å; I211-I250 HydrophobicContact CG2-CG1 3.9Å; I211-I250 PolarHBondContact N-O 2.81Å; I211-I250 PolarHBondContact O-N 3.09Å; V218-I250 HydrophobicContact CG1-CG2 4.19Å; V224-I250 HydrophobicContact CG1-CD1 4.34Å; V226-I250 HydrophobicContact CG2-CD1 3.68Å; A236-I250 HydrophobicContact CB-CB 4.38Å; A236-I250 HydrophobicContact CB-CD1 4.02Å; A236-I250 HydrophobicContact CB-CG1 4.42Å; K237-I250 CarbonylContact O-C 3.57Å; K237-I250 VanDerWaalsContact O-CA 3.29Å; K237-I250 WeakPolarHBondContact O-CA 3.03Å; I238-I250 HydrophobicContact CG1-CG2 4.2Å
251K96Very high91.9Very high27 Ų2750.1 Ų50.112%0.11727%0.265CS..EExtended strand (participates in β ladder)trans-129.8130.9179.9178.962.4168.969.10110.3D208 G209 L210 A236 K237 K239 D253D208-K251 WeakPolarHBondContact O-CE 3.41Å; D208-K251 PolarHBondContact O-NZ 3.27Å; D208-K251 WeakPolarHBondContact OD2-CE 3.18Å; G209-K251 WeakPolarHBondContact O-CA 3.42Å; G209-K251 WeakPolarHBondContact O-CD 3.43Å; L210-K251 HydrophobicContact CD2-CB 4.24Å; L210-K251 HydrophobicContact CD2-CD 3.92Å; L210-K251 HydrophobicContact CG-CD 4.21Å; A236-K251 WeakPolarHBondContact CA-O 3.31Å; K237-K251 PolarHBondContact N-O 2.92Å; K237-K251 PolarHBondContact O-N 2.86Å; K239-K251 HydrophobicContact CD-CB 4.2Å; K239-K251 VanDerWaalsContact CE-CB 3.47Å; K239-K251 HydrophobicContact CG-CB 3.68Å; K251-D253 IonicContact NZ-OD1 3.8Å; K251-D253 PolarHBondContact NZ-OD1 3.3Å
252I97Very high92.3Very high0 Ų054.2 Ų54.20%029%0.287CS..EExtended strand (participates in β ladder)trans-110.7150.3166.258172.7000110.2G209 I211 V226 L228 Y234 A236 V254 L258G209-I252 PolarHBondContact O-N 3.35Å; I211-I252 HydrophobicContact CD1-CD1 3.78Å; I211-I252 HydrophobicContact CD1-CG1 3.88Å; I211-I252 HydrophobicContact CD1-CG2 4.26Å; V226-I252 HydrophobicContact CB-CG2 3.91Å; V226-I252 HydrophobicContact CG1-CD1 4.36Å; V226-I252 HydrophobicContact CG2-CG2 3.85Å; L228-I252 HydrophobicContact CD2-CD1 4.07Å; Y234-I252 HydrophobicContact CD2-CD1 4.29Å; Y234-I252 HydrophobicContact CG-CD1 4.47Å; A236-I252 HydrophobicContact CB-CG2 3.64Å; I252-V254 HydrophobicContact CD1-CG1 3.68Å; I252-V254 HydrophobicContact CG1-CG1 3.99Å; I252-L258 HydrophobicContact CD1-CD1 3.99Å; I252-L258 HydrophobicContact CG1-CD1 4.46Å
253D95.9Very high92.8Very high99 Ų9953.2 Ų53.253%0.52928%0.281SS..  trans-104.4110.3177-63.2-40.2000108.9K251K251-D253 IonicContact NZ-OD1 3.8Å; K251-D253 PolarHBondContact NZ-OD1 3.3Å
254V93.7Very high93.4Very high28 Ų2847 Ų4717%0.1725%0.253CS..  trans-120.3145.3-174.7-67.20000110.5Y234 I252 T256 L258Y234-V254 HydrophobicContact CD1-CG1 3.97Å; Y234-V254 HydrophobicContact CD2-CG1 4.15Å; Y234-V254 HydrophobicContact CE1-CB 4.46Å; Y234-V254 HydrophobicContact CE1-CG1 3.77Å; Y234-V254 HydrophobicContact CE2-CG1 3.96Å; Y234-V254 HydrophobicContact CG-CG1 4.15Å; I252-V254 HydrophobicContact CD1-CG1 3.68Å; I252-V254 HydrophobicContact CG1-CG1 3.99Å; V254-T256 VanDerWaalsContact C-N 3.3Å; V254-T256 VanDerWaalsContact CG2-O 3.24Å; V254-T256 WeakPolarHBondContact CG2-O 3.33Å; V254-T256 PolarHBondContact O-N 2.99Å; V254-L258 HydrophobicContact CB-CD2 4.47Å; V254-L258 HydrophobicContact CG1-CD1 4.37Å; V254-L258 HydrophobicContact CG1-CD2 4.34Å; V254-L258 HydrophobicContact CG2-CD1 4.03Å; V254-L258 HydrophobicContact CG2-CD2 4.11Å; V254-L258 HydrophobicContact CG2-CG 3.85Å
255P89.8Confident94.2Very high117 Ų11747.4 Ų47.476%0.7625%0.251SS*.SBendtrans-76.1-19-17930-34.8000113.2
256T91.4Very high94.8Very high92 Ų9247.6 Ų47.656%0.56425%0.252SS*.SBendtrans-122.1149.9-175.554.50000110.9V254 L258V254-T256 VanDerWaalsContact C-N 3.3Å; V254-T256 VanDerWaalsContact CG2-O 3.24Å; V254-T256 WeakPolarHBondContact CG2-O 3.33Å; V254-T256 PolarHBondContact O-N 2.99Å; T256-L258 PolarHBondContact O-N 2.88Å
257K94.6Very high95.1Very high154 Ų15449.6 Ų49.667%0.6727%0.272SS*.PPolyproline II helixtrans-58.9136.2172.4-68.6-176166.9-146.20111E207E207-K257 HydrophobicContact CB-CB 4.28Å; E207-K257 HydrophobicContact CB-CG 4.36Å; E207-K257 WeakPolarHBondContact O-CA 3.18Å; E207-K257 WeakPolarHBondContact OE2-CD 3.03Å; E207-K257 WeakPolarHBondContact OE2-CE 3.32Å; E207-K257 IonicContact OE2-NZ 2.78Å; E207-K257 PolarHBondContact OE2-NZ 3.16Å
258L96.4Very high95.2Very high13 Ų1353.9 Ų53.97%0.06830%0.295CS..PPolyproline II helixtrans-92.9150.4178.4-61.3-179.4000112.2V204 E207 L228 I252 V254 T256V204-L258 HydrophobicContact CG1-CB 3.91Å; V204-L258 HydrophobicContact CG1-CD1 3.97Å; V204-L258 HydrophobicContact CG2-CD1 4.06Å; E207-L258 PolarHBondContact O-N 3.18Å; L228-L258 HydrophobicContact CD1-CD2 3.8Å; I252-L258 HydrophobicContact CD1-CD1 3.99Å; I252-L258 HydrophobicContact CG1-CD1 4.46Å; V254-L258 HydrophobicContact CB-CD2 4.47Å; V254-L258 HydrophobicContact CG1-CD1 4.37Å; V254-L258 HydrophobicContact CG1-CD2 4.34Å; V254-L258 HydrophobicContact CG2-CD1 4.03Å; V254-L258 HydrophobicContact CG2-CD2 4.11Å; V254-L258 HydrophobicContact CG2-CG 3.85Å; T256-L258 PolarHBondContact O-N 2.88Å
259P95.9Very high95.2Very high62 Ų6254.5 Ų54.540%0.40330%0.298SS..PPolyproline II helixtrans-63.214116329.6-34.7000109.7P177 A178 V204P177-P259 HydrophobicContact CB-CB 4.06Å; P177-P259 HydrophobicContact CB-CG 3.7Å; P177-P259 VanDerWaalsContact O-CG 3.27Å; P177-P259 WeakPolarHBondContact O-CG 3.38Å; A178-P259 HydrophobicContact CB-CB 4.28Å; A178-P259 HydrophobicContact CB-CG 4.42Å; A178-P259 WeakPolarHBondContact CB-O 3.26Å; V204-P259 WeakPolarHBondContact CB-O 3.13Å
260V97.6Very high95.1Very high50 Ų5062.2 Ų62.230%0.30333%0.327SS..  trans-124.3151.4-174.9-57.60000111.4V204 E207V204-V260 HydrophobicContact CG1-CG1 4.08Å; E207-V260 HydrophobicContact CB-CG1 4.45Å; E207-V260 HydrophobicContact CG-CG1 3.95Å; E207-V260 VanDerWaalsContact N-CG1 3.32Å
261L97.8Very high95Very high12 Ų1266.5 Ų66.56%0.06336%0.355CS..PPolyproline II helixtrans-102.5140.6165.5-57.7-177.6000110.7I175 A178 F203 V204 P327 V335I175-L261 HydrophobicContact CB-CD1 4.41Å; I175-L261 HydrophobicContact CB-CD2 3.76Å; I175-L261 HydrophobicContact CG2-CD2 3.85Å; A178-L261 HydrophobicContact CB-CD1 4.48Å; A178-L261 HydrophobicContact CB-CD2 3.86Å; A178-L261 HydrophobicContact CB-CG 3.68Å; F203-L261 HydrophobicContact CB-CD1 3.97Å; F203-L261 HydrophobicContact CD2-CB 4.41Å; F203-L261 HydrophobicContact CD2-CD1 4.37Å; F203-L261 HydrophobicContact CG-CD1 4.36Å; V204-L261 PolarHBondContact O-N 3.03Å; L261-P327 HydrophobicContact CD1-CB 4.08Å; L261-P327 HydrophobicContact CD1-CG 3.72Å; L261-V335 HydrophobicContact CB-CG2 3.55Å; L261-V335 HydrophobicContact CD1-CG2 3.75Å; L261-V335 HydrophobicContact CG-CG2 4.29Å
262L97.4Very high94.9Very high121 Ų12167.2 Ų67.263%0.63437%0.37SS*.PPolyproline II helixtrans-93.4146.1176.5-57.2179.8000110.1V335L262-V335 PolarHBondContact O-N 3.08Å
263L97.5Very high94.9Very high33 Ų3369.3 Ų69.317%0.17338%0.38CS..BIsolated β-bridgetrans-83.3119.3175.9-59.5-175.7000110.5F203 V335 I356 R357 L360F203-L263 HydrophobicContact CE2-CD2 4.27Å; L263-V335 HydrophobicContact CD2-CB 3.82Å; L263-V335 HydrophobicContact CD2-CG1 4Å; L263-I356 HydrophobicContact CD1-CB 4.12Å; L263-I356 HydrophobicContact CD1-CG2 3.96Å; L263-I356 HydrophobicContact CD2-CD1 4.34Å; L263-I356 HydrophobicContact CD2-CG2 4.35Å; L263-R357 HydrophobicContact CD1-CB 4.16Å; L263-R357 PolarHBondContact O-NH2 3.09Å; L263-L360 HydrophobicContact CD1-CD1 3.94Å
264G96.6Very high95Very high3 Ų369.2 Ų69.23%0.03138%0.375CS..  trans-73.9-175.916800000111.7V335 S353 R357G264-V335 PolarHBondContact N-O 2.81Å; G264-S353 PolarHBondContact O-OG 3.35Å; G264-S353 VanDerWaalsContact O-OG 3.08Å; G264-R357 PolarHBondContact O-NH2 3.43Å
265R95.8Very high95.2Very high143 Ų14368 Ų6854%0.5437%0.367SS..  trans-104103.3177.4-66-174.872-142.44.8110A267 D268R265-A267 PolarHBondContact O-N 3.5Å; R265-D268 HydrophobicContact CB-CB 4.3Å; R265-D268 WeakPolarHBondContact CB-OD2 3.42Å; R265-D268 WeakPolarHBondContact CD-OD2 3.19Å; R265-D268 IonicContact CZ-OD1 3.61Å; R265-D268 IonicContact CZ-OD2 3.41Å; R265-D268 IonicContact NE-OD2 3.4Å; R265-D268 IonicContact NH1-OD1 2.76Å; R265-D268 PolarHBondContact NH1-OD1 3.36Å; R265-D268 IonicContact NH1-OD2 3.92Å; R265-D268 PolarHBondContact NH1-OD2 2.8Å; R265-D268 PolarHBondContact O-N 2.96Å; R265-D268 VanDerWaalsContact O-N 3.08Å
266S94.1Very high95.6Very high11 Ų1162.4 Ų62.48%0.07733%0.331CS..G310 helixtrans-60.4-27.7177.245.40000113.7D268 L269 P352 S353 D354S266-D268 PolarHBondContact O-N 3.46Å; S266-L269 WeakPolarHBondContact O-CB 3.46Å; S266-L269 WeakPolarHBondContact O-CG 3.22Å; S266-L269 PolarHBondContact O-N 2.68Å; S266-P352 WeakPolarHBondContact OG-CB 3.44Å; S266-S353 VanDerWaalsContact CB-OG 3.29Å; S266-S353 WeakPolarHBondContact CB-OG 3.2Å; S266-S353 PolarHBondContact N-OG 3.29Å; S266-S353 PolarHBondContact OG-N 3.25Å; S266-S353 PolarHBondContact OG-OG 2.98Å; S266-D354 PolarHBondContact N-OD2 3.12Å; S266-D354 VanDerWaalsContact N-OD2 3.13Å; S266-D354 WeakPolarHBondContact OG-CB 3.48Å; S266-D354 PolarHBondContact OG-N 3.35Å; S266-D354 PolarHBondContact OG-OD2 3.27Å
267A91.8Very high95.9Very high71 Ų7158 Ų5859%0.58730%0.304SS*.G310 helixtrans-64.3-23.5175.600000113.9R265 D354R265-A267 PolarHBondContact O-N 3.5Å; A267-D354 PolarHBondContact N-OD2 3.03Å
268D94.1Very high95.9Very high91 Ų9150.7 Ų50.749%0.48727%0.272SS..G310 helixtrans-91.9-3-177.9-60.2-22.5000112.2R265 S266R265-D268 HydrophobicContact CB-CB 4.3Å; R265-D268 WeakPolarHBondContact CB-OD2 3.42Å; R265-D268 WeakPolarHBondContact CD-OD2 3.19Å; R265-D268 IonicContact CZ-OD1 3.61Å; R265-D268 IonicContact CZ-OD2 3.41Å; R265-D268 IonicContact NE-OD2 3.4Å; R265-D268 IonicContact NH1-OD1 2.76Å; R265-D268 PolarHBondContact NH1-OD1 3.36Å; R265-D268 IonicContact NH1-OD2 3.92Å; R265-D268 PolarHBondContact NH1-OD2 2.8Å; R265-D268 PolarHBondContact O-N 2.96Å; R265-D268 VanDerWaalsContact O-N 3.08Å; S266-D268 PolarHBondContact O-N 3.46Å
269L94.4Very high95.7Very high14 Ų1450 Ų507%0.07327%0.269CS..  trans-61.4142.6179.2-75.7172.1000111.8S266 E273 V293 T296 I313 I336S266-L269 WeakPolarHBondContact O-CB 3.46Å; S266-L269 WeakPolarHBondContact O-CG 3.22Å; S266-L269 PolarHBondContact O-N 2.68Å; L269-E273 WeakPolarHBondContact CD2-OE2 3.27Å; L269-V293 HydrophobicContact CD2-CG2 4.29Å; L269-T296 HydrophobicContact CB-CG2 3.42Å; L269-T296 VanDerWaalsContact CB-CG2 3.42Å; L269-T296 HydrophobicContact CD1-CG2 4.34Å; L269-I313 HydrophobicContact CD1-CD1 3.58Å; L269-I313 HydrophobicContact CD1-CG1 4Å; L269-I313 HydrophobicContact CD1-CG2 4.36Å; L269-I336 HydrophobicContact CD1-CB 4.14Å; L269-I336 HydrophobicContact CD1-CD1 3.94Å; L269-I336 HydrophobicContact CD1-CG1 4.4Å; L269-I336 HydrophobicContact CD2-CB 4.06Å; L269-I336 HydrophobicContact CD2-CD1 4.24Å; L269-I336 HydrophobicContact CD2-CG1 4.07Å; L269-I336 HydrophobicContact CD2-CG2 4.04Å; L269-I336 HydrophobicContact CG-CB 4.41Å
270R93.4Very high95.3Very high165 Ų16547.5 Ų47.562%0.62325%0.252SS*.  trans-112.4139.6173.7-61.8175.3-64160.24.9111G272 E273R270-G272 PolarHBondContact O-N 3.14Å; R270-E273 HydrophobicContact CB-CG 4.04Å; R270-E273 IonicContact CZ-OE1 3.97Å; R270-E273 VanDerWaalsContact CZ-OE1 3.3Å; R270-E273 PolarHBondContact N-OE2 3.23Å; R270-E273 IonicContact NE-OE1 3.38Å; R270-E273 PolarHBondContact NE-OE1 3.06Å; R270-E273 IonicContact NH2-OE1 2.89Å; R270-E273 PolarHBondContact NH2-OE1 3.01Å; R270-E273 WeakPolarHBondContact O-CB 3.07Å; R270-E273 WeakPolarHBondContact O-CG 3.34Å; R270-E273 PolarHBondContact O-N 2.76Å; R270-E273 VanDerWaalsContact O-N 3.12Å
271P94.2Very high93.7Very high91 Ų9145.5 Ų45.559%0.59124%0.241SC*.THydrogen-bonded Turntrans-53.2131.9166.6-24.634.6000110.7V293P271-V293 CarbonylContact C-O 3.52Å; P271-V293 WeakPolarHBondContact CA-O 3.49Å
272G93.4Very high92.2Very high41 Ų4151.7 Ų51.742%0.42327%0.267SS..THydrogen-bonded Turntrans94.8-7-176.200000115.3R270 F274 V293R270-G272 PolarHBondContact O-N 3.14Å; G272-F274 PolarHBondContact O-N 2.73Å; G272-V293 PolarHBondContact N-O 3.18Å
273E97.6Very high90.5Very high44 Ų4449 Ų4921%0.20626%0.258CS..  trans-66.7134.4174.8-78.3-178.317400112L269 R270 I292 V293L269-E273 WeakPolarHBondContact CD2-OE2 3.27Å; R270-E273 HydrophobicContact CB-CG 4.04Å; R270-E273 IonicContact CZ-OE1 3.97Å; R270-E273 VanDerWaalsContact CZ-OE1 3.3Å; R270-E273 PolarHBondContact N-OE2 3.23Å; R270-E273 IonicContact NE-OE1 3.38Å; R270-E273 PolarHBondContact NE-OE1 3.06Å; R270-E273 IonicContact NH2-OE1 2.89Å; R270-E273 PolarHBondContact NH2-OE1 3.01Å; R270-E273 WeakPolarHBondContact O-CB 3.07Å; R270-E273 WeakPolarHBondContact O-CG 3.34Å; R270-E273 PolarHBondContact O-N 2.76Å; R270-E273 VanDerWaalsContact O-N 3.12Å; E273-I292 CarbonylContact O-C 3.52Å; E273-I292 WeakPolarHBondContact O-CA 2.93Å; E273-V293 HydrophobicContact CB-CG2 4.46Å; E273-V293 PolarHBondContact O-N 3.5Å
274F98.3Very high88.7Confident98 Ų9853.2 Ų53.243%0.4328%0.281SS..EExtended strand (participates in β ladder)trans-66.2136.2174.6-76.3-73.7000111.1F167 G272 G291 I292 L331F167-F274 HydrophobicContact CE2-CD2 4.28Å; F167-F274 HydrophobicContact CE2-CG 4.29Å; F167-F274 HydrophobicContact CZ-CD2 4.45Å; F167-F274 HydrophobicContact CZ-CE2 4.33Å; G272-F274 PolarHBondContact O-N 2.73Å; F274-G291 WeakPolarHBondContact CA-O 3.28Å; F274-I292 HydrophobicContact CD1-CG2 3.95Å; F274-I292 HydrophobicContact CE1-CG2 4.09Å; F274-I292 HydrophobicContact CG-CG2 4.45Å; F274-L331 HydrophobicContact CB-CD1 4.11Å; F274-L331 HydrophobicContact CB-CD2 3.81Å; F274-L331 HydrophobicContact CB-CG 4Å; F274-L331 HydrophobicContact CD2-CD1 4.44Å
275V98.1Very high87.3Confident1 Ų159.3 Ų59.31%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-135149.7177.7-67.70000110.9T290 G291 V293 T315 A317 L328 V329 I336V275-T290 WeakPolarHBondContact O-CA 3.39Å; V275-T290 PolarHBondContact O-OG1 3.43Å; V275-G291 PolarHBondContact N-O 2.93Å; V275-G291 PolarHBondContact O-N 2.86Å; V275-V293 HydrophobicContact CG1-CG2 3.62Å; V275-T315 WeakPolarHBondContact CG2-OG1 3.37Å; V275-A317 HydrophobicContact CG2-CB 4.48Å; V275-L328 HydrophobicContact CB-CD1 3.87Å; V275-L328 HydrophobicContact CB-CG 4.16Å; V275-L328 HydrophobicContact CG2-CD1 3.89Å; V275-L328 HydrophobicContact CG2-CG 4.47Å; V275-V329 CarbonylContact C-O 3.56Å; V275-V329 VanDerWaalsContact CA-O 3.22Å; V275-V329 WeakPolarHBondContact CA-O 3.41Å; V275-I336 HydrophobicContact CG1-CD1 3.98Å; V275-I336 HydrophobicContact CG1-CG1 4.38Å
276V98Very high86.4Confident0 Ų054.9 Ų54.90%030%0.295CS..EExtended strand (participates in β ladder)trans-117118.7176.2-177.80000108.6I168 V171 V172 V288 V329I168-V276 HydrophobicContact CD1-CG2 3.8Å; I168-V276 HydrophobicContact CG2-CG2 3.99Å; V171-V276 HydrophobicContact CG1-CB 4.37Å; V171-V276 HydrophobicContact CG1-CG2 4.03Å; V172-V276 HydrophobicContact CG2-CG1 3.99Å; V276-V288 HydrophobicContact CG1-CG1 3.59Å; V276-V329 HydrophobicContact CB-CG2 3.8Å; V276-V329 PolarHBondContact N-O 3.31Å; V276-V329 PolarHBondContact O-N 3.47Å
277A96.2Very high86Confident0 Ų056.4 Ų56.40%030%0.304CS..EExtended strand (participates in β ladder)trans-95.2114170.300000108.3T289 A317 I319 L328A277-T289 PolarHBondContact N-O 3.37Å; A277-T289 PolarHBondContact O-N 3.48Å; A277-A317 HydrophobicContact CB-CB 4.22Å; A277-I319 HydrophobicContact CB-CG1 4.49Å; A277-L328 HydrophobicContact CB-CD1 3.79Å
278I94.9Very high86Confident0 Ų055.6 Ų55.60%029%0.292CS..EExtended strand (participates in β ladder)trans-119.8145.8-178.4-172.7166.1000110.5V172 I175 A176 V179 N286 T287 V288 P327 N339V172-I278 HydrophobicContact CG1-CD1 4.33Å; I175-I278 HydrophobicContact CD1-CB 4.34Å; I175-I278 HydrophobicContact CD1-CD1 4.22Å; I175-I278 HydrophobicContact CD1-CG2 3.65Å; I175-I278 HydrophobicContact CG1-CD1 4.09Å; I175-I278 HydrophobicContact CG1-CG2 4.27Å; A176-I278 HydrophobicContact CB-CD1 4.29Å; V179-I278 HydrophobicContact CG1-CG1 4.49Å; V179-I278 HydrophobicContact CG2-CD1 4.23Å; V179-I278 HydrophobicContact CG2-CG1 4.27Å; V179-I278 HydrophobicContact CG2-CG2 3.7Å; I278-N286 HydrophobicContact CD1-CB 4.42Å; I278-N286 HydrophobicContact CG1-CB 4.49Å; I278-T287 WeakPolarHBondContact CA-O 3.22Å; I278-V288 HydrophobicContact CD1-CG2 3.88Å; I278-V288 HydrophobicContact CG1-CG2 3.95Å; I278-P327 HydrophobicContact CG2-CG 3.64Å; I278-P327 PolarHBondContact N-O 2.94Å; I278-P327 WeakPolarHBondContact O-CD 3.47Å; I278-N339 PolarHBondContact O-ND2 2.8Å
279G92.1Very high86Confident0 Ų052.5 Ų52.50%028%0.276CS..EExtended strand (participates in β ladder)trans-155-179.6165.600000111.3S201 P281 N286 T287S201-G279 WeakPolarHBondContact OG-CA 3.44Å; G279-P281 WeakPolarHBondContact O-CD 3.33Å; G279-N286 CarbonylContact O-C 3.35Å; G279-N286 WeakPolarHBondContact O-CA 3.47Å; G279-T287 PolarHBondContact N-O 3.41Å; G279-T287 PolarHBondContact O-N 3.13Å
280S87.2Confident86.1Confident8 Ų855.1 Ų55.16%0.05629%0.293CS..EExtended strand (participates in β ladder)trans-122.479.8176.3-171.40000108.6H181 S201 F282H181-S280 WeakPolarHBondContact CB-O 3.34Å; H181-S280 PolarHBondContact ND1-O 2.86Å; S201-S280 PolarHBondContact OG-N 3.12Å; S280-F282 PolarHBondContact O-N 3.07Å; S280-F282 PolarHBondContact OG-O 3.11Å
281P65.1Low86.3Confident9 Ų947.7 Ų47.76%0.05827%0.268CS..EExtended strand (participates in β ladder)trans-59.1-32.8-179.1-3.9-4.1000115H181 S199 G279 Q285 T287 G322H181-P281 PolarHBondContact CE1-O 2.81Å; S199-P281 PolarHBondContact OG-O 3.34Å; G279-P281 WeakPolarHBondContact O-CD 3.33Å; P281-Q285 WeakPolarHBondContact CD-O 3.49Å; P281-T287 WeakPolarHBondContact CG-OG1 3.21Å; P281-G322 VanDerWaalsContact CD-O 3.27Å; P281-G322 WeakPolarHBondContact CD-O 3.29Å
282F66.1Low86.4Confident142 Ų14246.2 Ų46.262%0.62325%0.254SS*.EExtended strand (participates in β ladder)trans-134.7148.2-175.8-59.1-67.6000108.3S280 L284 Q285S280-F282 PolarHBondContact O-N 3.07Å; S280-F282 PolarHBondContact OG-O 3.11Å; F282-L284 PolarHBondContact O-N 3.23Å; F282-Q285 PolarHBondContact O-N 2.9Å
283S60.9Low86.5Confident63 Ų6344.3 Ų44.344%0.44123%0.234SC..THydrogen-bonded Turntrans-40.8117.4169.3-56.20000110.2E227 Q285E227-S283 VanDerWaalsContact OE1-CA 3.28Å; E227-S283 WeakPolarHBondContact OE1-CA 3.3Å; E227-S283 WeakPolarHBondContact OE1-CB 3.15Å; E227-S283 WeakPolarHBondContact OE2-CA 3.44Å; E227-S283 WeakPolarHBondContact OE2-CB 3.36Å; E227-S283 PolarHBondContact OE2-OG 3.08Å; S283-Q285 PolarHBondContact O-N 2.72Å
284L59.3Low86.1Confident123 Ų12344.4 Ų44.464%0.64424%0.24SC*.THydrogen-bonded Turntrans74.21.7176.5-46.1169.7000118.2F282F282-L284 PolarHBondContact O-N 3.23Å
285Q68.4Low85.4Confident130 Ų13041.6 Ų41.661%0.60723%0.231SC*.EExtended strand (participates in β ladder)trans-119.4107.9177.4-66.2-167-4.100112.3P281 F282 S283P281-Q285 WeakPolarHBondContact CD-O 3.49Å; F282-Q285 PolarHBondContact O-N 2.9Å; S283-Q285 PolarHBondContact O-N 2.72Å
286N77.1Confident84.3Confident51 Ų5143 Ų4327%0.27324%0.239SC..EExtended strand (participates in β ladder)trans-72.1130.1170.2-70.4-2.8000110A176 I278 G279 V288A176-N286 VanDerWaalsContact CB-ND2 3.31Å; A176-N286 WeakPolarHBondContact CB-ND2 3.37Å; I278-N286 HydrophobicContact CD1-CB 4.42Å; I278-N286 HydrophobicContact CG1-CB 4.49Å; G279-N286 CarbonylContact O-C 3.35Å; G279-N286 WeakPolarHBondContact O-CA 3.47Å; N286-V288 HydrophobicContact CB-CG2 4.43Å
287T84.8Confident82.9Confident42 Ų4249.6 Ų49.626%0.25827%0.27SS..EExtended strand (participates in β ladder)trans-96.2119.5163.5-71.40000108.3I278 G279 P281 T289I278-T287 WeakPolarHBondContact CA-O 3.22Å; G279-T287 PolarHBondContact N-O 3.41Å; G279-T287 PolarHBondContact O-N 3.13Å; P281-T287 WeakPolarHBondContact CG-OG1 3.21Å; T287-T289 HydrophobicContact CG2-CG2 4.43Å
288V93.1Very high81.5Confident55 Ų5553.3 Ų53.333%0.33328%0.284SS..EExtended strand (participates in β ladder)trans-115.7128.4178.9-178.50000108V172 V276 I278 N286V172-V288 HydrophobicContact CG1-CG2 3.89Å; V172-V288 HydrophobicContact CG2-CB 4.35Å; V172-V288 HydrophobicContact CG2-CG1 3.49Å; V172-V288 VanDerWaalsContact CG2-CG1 3.49Å; V172-V288 HydrophobicContact CG2-CG2 3.97Å; V276-V288 HydrophobicContact CG1-CG1 3.59Å; I278-V288 HydrophobicContact CD1-CG2 3.88Å; I278-V288 HydrophobicContact CG1-CG2 3.95Å; N286-V288 HydrophobicContact CB-CG2 4.43Å
289T94Very high80Confident25 Ų2554 Ų5415%0.15329%0.292CS..EExtended strand (participates in β ladder)trans-126.4149.5167.463.10000108.4A277 T287 I318A277-T289 PolarHBondContact N-O 3.37Å; A277-T289 PolarHBondContact O-N 3.48Å; T287-T289 HydrophobicContact CG2-CG2 4.43Å; T289-I318 WeakPolarHBondContact CB-O 3.21Å; T289-I318 HydrophobicContact CG2-CB 4.02Å; T289-I318 WeakPolarHBondContact CG2-O 3.42Å; T289-I318 PolarHBondContact OG1-O 2.86Å
290T96.5Very high78.4Confident70 Ų7054 Ų5443%0.42929%0.292SS..EExtended strand (participates in β ladder)trans-124.3152.1179-174.30000108.8I168 V275I168-T290 WeakPolarHBondContact CD1-OG1 3.35Å; V275-T290 WeakPolarHBondContact O-CA 3.39Å; V275-T290 PolarHBondContact O-OG1 3.43Å
291G96.2Very high77Confident9 Ų959.8 Ų59.89%0.09332%0.316CS..EExtended strand (participates in β ladder)trans-166.1-159.7175.800000109.9F274 V275 D316F274-G291 WeakPolarHBondContact CA-O 3.28Å; V275-G291 PolarHBondContact N-O 2.93Å; V275-G291 PolarHBondContact O-N 2.86Å; G291-D316 WeakPolarHBondContact CA-OD1 3.34Å
292I96.9Very high76.7Confident59 Ų5965.7 Ų65.730%0.30334%0.342SS..EExtended strand (participates in β ladder)trans-122160.5173.459169.5000110.8E273 F274 S294 T315 D316E273-I292 CarbonylContact O-C 3.52Å; E273-I292 WeakPolarHBondContact O-CA 2.93Å; F274-I292 HydrophobicContact CD1-CG2 3.95Å; F274-I292 HydrophobicContact CE1-CG2 4.09Å; F274-I292 HydrophobicContact CG-CG2 4.45Å; I292-S294 PolarHBondContact O-N 3.47Å; I292-T315 VanDerWaalsContact O-CA 3.29Å; I292-T315 WeakPolarHBondContact O-CA 3.27Å; I292-T315 WeakPolarHBondContact O-CB 3.24Å; I292-T315 PolarHBondContact O-OG1 2.66Å; I292-D316 PolarHBondContact N-OD1 3.24Å; I292-D316 PolarHBondContact O-N 2.99Å
293V95.6Very high76.3Confident1 Ų161 Ų611%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-71.3117.3165.3178.60000108.7L269 P271 G272 E273 V275 T296 I313L269-V293 HydrophobicContact CD2-CG2 4.29Å; P271-V293 CarbonylContact C-O 3.52Å; P271-V293 WeakPolarHBondContact CA-O 3.49Å; G272-V293 PolarHBondContact N-O 3.18Å; E273-V293 HydrophobicContact CB-CG2 4.46Å; E273-V293 PolarHBondContact O-N 3.5Å; V275-V293 HydrophobicContact CG1-CG2 3.62Å; V293-T296 HydrophobicContact CG1-CG2 3.7Å; V293-I313 HydrophobicContact CG1-CG2 4.23Å; V293-I313 HydrophobicContact CG2-CG2 4.4Å
294S88.6Confident75.9Confident47 Ų4760.6 Ų60.633%0.32933%0.33SS..EExtended strand (participates in β ladder)trans-82.8-40.1175.6-46.40000111.8I292 Q314I292-S294 PolarHBondContact O-N 3.47Å; S294-Q314 VanDerWaalsContact CB-NE2 3.32Å; S294-Q314 PolarHBondContact N-O 3.41Å
295T84.6Confident75.8Confident38 Ų3857.8 Ų57.823%0.23332%0.315CS..EExtended strand (participates in β ladder)trans-157.2151.6172.4-177.10000109.8R298 Q314T295-R298 HydrophobicContact CG2-CB 3.98Å; T295-Q314 HydrophobicContact CG2-CB 3.45Å; T295-Q314 VanDerWaalsContact CG2-CB 3.45Å; T295-Q314 HydrophobicContact CG2-CG 4.32Å; T295-Q314 PolarHBondContact N-O 2.84Å; T295-Q314 PolarHBondContact O-N 2.91Å
296T75.1Confident74.6Confident31 Ų3161.9 Ų61.919%0.1933%0.325CS..EExtended strand (participates in β ladder)trans-99.5-12.1-176.550.50000113.5L269 V293L269-T296 HydrophobicContact CB-CG2 3.42Å; L269-T296 VanDerWaalsContact CB-CG2 3.42Å; L269-T296 HydrophobicContact CD1-CG2 4.34Å; V293-T296 HydrophobicContact CG1-CG2 3.7Å
297Q68.6Low73.2Confident139 Ų13965.2 Ų65.265%0.6534%0.343SS*.EExtended strand (participates in β ladder)trans-141.163.8-170.8-64.4176.711.800110.7
298R67.5Low71.7Confident78 Ų7863.8 Ų63.829%0.29433%0.334SS..EExtended strand (participates in β ladder)trans-93.8112.1168.9-168.7171.6-73-93.315.2109.9T295 E302 L303 D311 Y312 Q314 F349T295-R298 HydrophobicContact CG2-CB 3.98Å; R298-E302 HydrophobicContact CG-CB 4.33Å; R298-E302 IonicContact CZ-OE2 3.72Å; R298-E302 IonicContact NH1-OE2 3.73Å; R298-E302 PolarHBondContact NH1-OE2 2.92Å; R298-L303 HydrophobicContact CG-CD2 4.16Å; R298-L303 HydrophobicContact CG-CG 4.23Å; R298-D311 WeakPolarHBondContact O-CA 3.18Å; R298-Y312 PolarHBondContact N-O 2.76Å; R298-Y312 PolarHBondContact O-N 3.32Å; R298-Q314 VanDerWaalsContact NH2-OE1 3.13Å; R298-F349 HydrophobicContact CB-CE1 4.42Å
299G61.6Low70.3Confident15 Ų1566.3 Ų66.316%0.15535%0.346CS..EExtended strand (participates in β ladder)trans-64.8134.9177.600000111.7K301 E302 D311G299-K301 PolarHBondContact O-N 3.08Å; G299-E302 WeakPolarHBondContact O-CB 3.46Å; G299-E302 PolarHBondContact O-N 3.42Å; G299-D311 VanDerWaalsContact CA-OD1 3.27Å; G299-D311 WeakPolarHBondContact CA-OD1 3.22Å
300G59.6Low69.2Low0 Ų066 Ų660%034%0.343CS..G310 helixtrans-57-25.8-179.500000114.2E302 L303 L305 M310G300-E302 VanDerWaalsContact C-N 3.31Å; G300-E302 PolarHBondContact O-N 3.39Å; G300-L303 WeakPolarHBondContact O-CA 3.29Å; G300-L303 WeakPolarHBondContact O-CB 3.37Å; G300-L303 PolarHBondContact O-N 3.26Å; G300-L305 VanDerWaalsContact O-CB 3.27Å; G300-L305 WeakPolarHBondContact O-CB 3.44Å; G300-L305 PolarHBondContact O-N 3.04Å; G300-M310 PolarHBondContact N-O 3.46Å
301K57.4Low68.5Low128 Ų12866.3 Ų66.356%0.55734%0.342SS*.G310 helixtrans-62-35.2172.8-68.9176.6-174.4163.20112.8G299 L303 G304 D309G299-K301 PolarHBondContact O-N 3.08Å; K301-L303 PolarHBondContact O-N 2.92Å; K301-G304 PolarHBondContact O-N 3.28Å; K301-D309 VanDerWaalsContact CE-OD1 3.23Å; K301-D309 WeakPolarHBondContact CE-OD1 3.29Å; K301-D309 IonicContact NZ-OD1 2.94Å; K301-D309 PolarHBondContact NZ-OD1 2.95Å
302E58.5Low68.1Low133 Ų13366.7 Ų66.762%0.62134%0.341SS*.G310 helixtrans-70.1-19.9174.6-60.1-176.3-17200112.6R298 G299 G300 G304R298-E302 HydrophobicContact CG-CB 4.33Å; R298-E302 IonicContact CZ-OE2 3.72Å; R298-E302 IonicContact NH1-OE2 3.73Å; R298-E302 PolarHBondContact NH1-OE2 2.92Å; G299-E302 WeakPolarHBondContact O-CB 3.46Å; G299-E302 PolarHBondContact O-N 3.42Å; G300-E302 VanDerWaalsContact C-N 3.31Å; G300-E302 PolarHBondContact O-N 3.39Å; E302-G304 VanDerWaalsContact C-N 3.31Å
303L57.8Low67.8Low43 Ų4363.9 Ų63.923%0.22533%0.326CS..G310 helixtrans-90.56.9178.1-59178.4000113R298 G300 K301 L305 Y312 F349R298-L303 HydrophobicContact CG-CD2 4.16Å; R298-L303 HydrophobicContact CG-CG 4.23Å; G300-L303 WeakPolarHBondContact O-CA 3.29Å; G300-L303 WeakPolarHBondContact O-CB 3.37Å; G300-L303 PolarHBondContact O-N 3.26Å; K301-L303 PolarHBondContact O-N 2.92Å; L303-L305 HydrophobicContact CB-CD1 4.39Å; L303-L305 HydrophobicContact CB-CG 4.29Å; L303-L305 PolarHBondContact O-N 3.14Å; L303-Y312 HydrophobicContact CD1-CD2 3.96Å; L303-F349 HydrophobicContact CD1-CD1 3.8Å; L303-F349 HydrophobicContact CD1-CD2 4.06Å; L303-F349 HydrophobicContact CD1-CE1 3.65Å; L303-F349 HydrophobicContact CD1-CE2 3.91Å; L303-F349 HydrophobicContact CD1-CG 4.02Å; L303-F349 HydrophobicContact CD1-CZ 3.72Å; L303-F349 HydrophobicContact CD2-CE1 3.81Å; L303-F349 HydrophobicContact CD2-CE2 3.65Å; L303-F349 HydrophobicContact CD2-CZ 3.2Å; L303-F349 HydrophobicContact CG-CE1 4.35Å; L303-F349 HydrophobicContact CG-CE2 4.41Å; L303-F349 HydrophobicContact CG-CZ 4.1Å
304G52.7Low67.6Low55 Ų5564.8 Ų64.857%0.56733%0.33SS*.THydrogen-bonded Turntrans74.85.1-174.900000113.9K301 E302 R306K301-G304 PolarHBondContact O-N 3.28Å; E302-G304 VanDerWaalsContact C-N 3.31Å; G304-R306 VanDerWaalsContact C-N 3.3Å; G304-R306 PolarHBondContact O-N 2.94Å
305L56.3Low67.8Low64 Ų6462.5 Ų62.534%0.33532%0.315SS..  trans-7982.3173-55.8171.6000108.4G300 L303 N307 S308 Y312G300-L305 VanDerWaalsContact O-CB 3.27Å; G300-L305 WeakPolarHBondContact O-CB 3.44Å; G300-L305 PolarHBondContact O-N 3.04Å; L303-L305 HydrophobicContact CB-CD1 4.39Å; L303-L305 HydrophobicContact CB-CG 4.29Å; L303-L305 PolarHBondContact O-N 3.14Å; L305-N307 PolarHBondContact O-N 2.85Å; L305-S308 PolarHBondContact O-N 2.85Å; L305-Y312 HydrophobicContact CD1-CE2 4.05Å
306R43.7Very low68.2Low216 Ų21663.9 Ų63.982%0.81532%0.32SS*.THydrogen-bonded Turntrans-56-11.8-171.1-71.3-175164.9-164.4-5.2115.6G304G304-R306 VanDerWaalsContact C-N 3.3Å; G304-R306 PolarHBondContact O-N 2.94Å
307N47.3Very low69.1Low122 Ų12262.4 Ų62.465%0.65231%0.311SS*.THydrogen-bonded Turntrans-12515.7179.9-66.2-22.9000114.3L305L305-N307 PolarHBondContact O-N 2.85Å
308S54.4Low70.1Confident11 Ų1160.2 Ų60.28%0.07730%0.303CS..  trans-100.2106.9177.7-179.90000110.7L305 M310 Y312L305-S308 PolarHBondContact O-N 2.85Å; S308-M310 PolarHBondContact O-N 2.85Å; S308-M310 PolarHBondContact OG-N 3.33Å; S308-Y312 PolarHBondContact OG-OH 2.91Å
309D63.4Low70.9Confident108 Ų10856.7 Ų56.758%0.57829%0.29SS*.  trans-83.512.6164.9-58.6-46.8000112K244 K301K244-D309 IonicContact NZ-OD2 2.82Å; K301-D309 VanDerWaalsContact CE-OD1 3.23Å; K301-D309 WeakPolarHBondContact CE-OD1 3.29Å; K301-D309 IonicContact NZ-OD1 2.94Å; K301-D309 PolarHBondContact NZ-OD1 2.95Å
310M71.3Confident71.9Confident19 Ų1959.3 Ų59.39%0.09430%0.301CS..  trans-92.6144.1176.9-67-148.2-53.600112.3A245 G300 S308 Y312A245-M310 VanDerWaalsContact CA-CE 3.42Å; A245-M310 HydrophobicContact CB-CE 4.06Å; A245-M310 HydrophobicContact CB-SD 3.78Å; A245-M310 WeakPolarHBondContact O-CE 3.36Å; G300-M310 PolarHBondContact N-O 3.46Å; S308-M310 PolarHBondContact O-N 2.85Å; S308-M310 PolarHBondContact OG-N 3.33Å; M310-Y312 HydrophobicContact CB-CE2 4.27Å; M310-Y312 HydrophobicContact CE-CE1 4.07Å
311D82Confident72.7Confident76 Ų7669.2 Ų69.241%0.40634%0.34SS..EExtended strand (participates in β ladder)trans-91.3141.9166.4-60.3-39.1000110.3R298 G299 P352R298-D311 WeakPolarHBondContact O-CA 3.18Å; G299-D311 VanDerWaalsContact CA-OD1 3.27Å; G299-D311 WeakPolarHBondContact CA-OD1 3.22Å; D311-P352 VanDerWaalsContact O-CD 3.27Å; D311-P352 WeakPolarHBondContact O-CD 3.34Å; D311-P352 VanDerWaalsContact O-CG 3.24Å; D311-P352 WeakPolarHBondContact O-CG 3.33Å
312Y86.7Confident73.6Confident17 Ų1763.5 Ų63.57%0.06732%0.317CS..EExtended strand (participates in β ladder)trans-115.5150.9178.1-62.3-91.2000110.9R298 L303 L305 S308 M310 F349 I351R298-Y312 PolarHBondContact N-O 2.76Å; R298-Y312 PolarHBondContact O-N 3.32Å; L303-Y312 HydrophobicContact CD1-CD2 3.96Å; L305-Y312 HydrophobicContact CD1-CE2 4.05Å; S308-Y312 PolarHBondContact OG-OH 2.91Å; M310-Y312 HydrophobicContact CB-CE2 4.27Å; M310-Y312 HydrophobicContact CE-CE1 4.07Å; Y312-F349 HydrophobicContact CD1-CB 4.39Å; Y312-F349 HydrophobicContact CG-CB 4.43Å; Y312-I351 HydrophobicContact CD1-CG1 4.5Å; Y312-I351 HydrophobicContact CE1-CG1 4.22Å
313I91.2Very high75.1Confident1 Ų157.2 Ų57.21%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-77.4123.8165.2-61.2165.1000107L269 V293 L328 I336 F349 A350 P352L269-I313 HydrophobicContact CD1-CD1 3.58Å; L269-I313 HydrophobicContact CD1-CG1 4Å; L269-I313 HydrophobicContact CD1-CG2 4.36Å; V293-I313 HydrophobicContact CG1-CG2 4.23Å; V293-I313 HydrophobicContact CG2-CG2 4.4Å; I313-L328 HydrophobicContact CG2-CD2 4.13Å; I313-I336 HydrophobicContact CD1-CD1 3.98Å; I313-I336 WeakPolarHBondContact CD1-O 3.38Å; I313-F349 CarbonylContact O-C 3.53Å; I313-F349 VanDerWaalsContact O-CA 3.3Å; I313-F349 WeakPolarHBondContact O-CA 3.49Å; I313-A350 HydrophobicContact CB-CB 4.35Å; I313-A350 PolarHBondContact N-O 3.35Å; I313-A350 PolarHBondContact O-N 2.72Å; I313-P352 HydrophobicContact CD1-CB 4.25Å; I313-P352 HydrophobicContact CG1-CB 4.4Å; I313-P352 HydrophobicContact CG1-CG 4.25Å
314Q90.5Very high76.6Confident19 Ų1955.5 Ų55.59%0.08928%0.279CS..EExtended strand (participates in β ladder)trans-93.9134172-170.6-171.3-49.900109.6S294 T295 R298 I347 S348 F349S294-Q314 VanDerWaalsContact CB-NE2 3.32Å; S294-Q314 PolarHBondContact N-O 3.41Å; T295-Q314 HydrophobicContact CG2-CB 3.45Å; T295-Q314 VanDerWaalsContact CG2-CB 3.45Å; T295-Q314 HydrophobicContact CG2-CG 4.32Å; T295-Q314 PolarHBondContact N-O 2.84Å; T295-Q314 PolarHBondContact O-N 2.91Å; R298-Q314 VanDerWaalsContact NH2-OE1 3.13Å; Q314-I347 HydrophobicContact CG-CG2 4.06Å; Q314-S348 WeakPolarHBondContact CA-O 3.06Å; Q314-F349 HydrophobicContact CB-CD1 4.25Å; Q314-F349 HydrophobicContact CB-CE1 3.83Å; Q314-F349 HydrophobicContact CG-CD1 4.44Å; Q314-F349 HydrophobicContact CG-CE1 3.75Å; Q314-F349 HydrophobicContact CG-CZ 4.19Å
315T93.2Very high78.5Confident0 Ų052.9 Ų52.90%025%0.252CS..EExtended strand (participates in β ladder)trans-139.4153.8173.8-177.50000111V275 I292 A317 L328 S348V275-T315 WeakPolarHBondContact CG2-OG1 3.37Å; I292-T315 VanDerWaalsContact O-CA 3.29Å; I292-T315 WeakPolarHBondContact O-CA 3.27Å; I292-T315 WeakPolarHBondContact O-CB 3.24Å; I292-T315 PolarHBondContact O-OG1 2.66Å; T315-A317 VanDerWaalsContact C-N 3.33Å; T315-A317 HydrophobicContact CG2-CB 3.93Å; T315-A317 WeakPolarHBondContact OG1-CB 3.45Å; T315-A317 PolarHBondContact OG1-N 3.34Å; T315-L328 HydrophobicContact CG2-CD1 4.42Å; T315-L328 HydrophobicContact CG2-CD2 4.28Å; T315-S348 PolarHBondContact N-O 3.05Å; T315-S348 PolarHBondContact O-N 3.14Å
316D93.1Very high80.3Confident66 Ų6649.8 Ų49.835%0.35324%0.236SC..  trans-87.1-5.1168.567.7-16.9000112.7G291 I292 I318G291-D316 WeakPolarHBondContact CA-OD1 3.34Å; I292-D316 PolarHBondContact N-OD1 3.24Å; I292-D316 PolarHBondContact O-N 2.99Å; D316-I318 PolarHBondContact O-N 3.01Å
317A93.3Very high82.9Confident0 Ų039.5 Ų39.50%020%0.197CC..SBendtrans-56.7129.1168.800000109.2V275 A277 T315 I319 S348V275-A317 HydrophobicContact CG2-CB 4.48Å; A277-A317 HydrophobicContact CB-CB 4.22Å; T315-A317 VanDerWaalsContact C-N 3.33Å; T315-A317 HydrophobicContact CG2-CB 3.93Å; T315-A317 WeakPolarHBondContact OG1-CB 3.45Å; T315-A317 PolarHBondContact OG1-N 3.34Å; A317-I319 PolarHBondContact O-N 2.83Å; A317-S348 VanDerWaalsContact O-CB 3.25Å; A317-S348 WeakPolarHBondContact O-CB 3.38Å; A317-S348 PolarHBondContact O-OG 2.03Å
318I89.9Confident85.3Confident94 Ų9433.7 Ų33.748%0.48217%0.166SC..PPolyproline II helixtrans-72.2118.6-174.3-64.5171000109.3T289 D316 N323T289-I318 WeakPolarHBondContact CB-O 3.21Å; T289-I318 HydrophobicContact CG2-CB 4.02Å; T289-I318 WeakPolarHBondContact CG2-O 3.42Å; T289-I318 PolarHBondContact OG1-O 2.86Å; D316-I318 PolarHBondContact O-N 3.01Å; I318-N323 PolarHBondContact O-ND2 3.21Å; I318-N323 VanDerWaalsContact O-ND2 3.14Å
319I85.7Confident87.4Confident3 Ų333.2 Ų33.22%0.01516%0.163CC..PPolyproline II helixtrans-102.5134171.6-61.6-179000109.1A277 A317 N323 N339 K342 S348 F349A277-I319 HydrophobicContact CB-CG1 4.49Å; A317-I319 PolarHBondContact O-N 2.83Å; I319-N323 WeakPolarHBondContact CA-OD1 3.45Å; I319-N339 HydrophobicContact CD1-CB 3.81Å; I319-N339 HydrophobicContact CG1-CB 4.27Å; I319-N339 HydrophobicContact CG2-CB 4.12Å; I319-K342 WeakPolarHBondContact O-CB 3.37Å; I319-K342 WeakPolarHBondContact O-CD 3.42Å; I319-S348 PolarHBondContact N-OG 3.05Å; I319-F349 WeakPolarHBondContact CD1-O 3.23Å
320N81.3Confident89.1Confident70 Ų7029 Ų2937%0.37414%0.14SC..  trans-138.2177.3177.46620.8000110.1G322 N323 S324N320-G322 PolarHBondContact O-N 3.05Å; N320-G322 VanDerWaalsContact OD1-CA 3.28Å; N320-G322 WeakPolarHBondContact OD1-CA 3.38Å; N320-G322 PolarHBondContact OD1-N 3.42Å; N320-N323 PolarHBondContact N-OD1 3.07Å; N320-N323 PolarHBondContact O-N 3.02Å; N320-N323 PolarHBondContact O-OD1 3.2Å; N320-N323 VanDerWaalsContact O-OD1 3.05Å; N320-N323 PolarHBondContact OD1-N 2.97Å; N320-N323 VanDerWaalsContact OD1-N 3.16Å; N320-N323 PolarHBondContact OD1-OD1 2.92Å; N320-S324 PolarHBondContact O-N 2.86Å
321Y76.8Confident90.4Very high209 Ų20931.5 Ų31.582%0.8215%0.153SC*.THydrogen-bonded Turntrans-54.8-26.2176.8-67.1-72.2000113.5
322G77.6Confident91.1Very high8 Ų833 Ų338%0.08216%0.162CC..THydrogen-bonded Turntrans-74.2-31.6-178.800000115.3S201 P281 N320S201-G322 PolarHBondContact OG-O 3.03Å; P281-G322 VanDerWaalsContact CD-O 3.27Å; P281-G322 WeakPolarHBondContact CD-O 3.29Å; N320-G322 PolarHBondContact O-N 3.05Å; N320-G322 VanDerWaalsContact OD1-CA 3.28Å; N320-G322 WeakPolarHBondContact OD1-CA 3.38Å; N320-G322 PolarHBondContact OD1-N 3.42Å
323N88.8Confident91.6Very high0 Ų032.6 Ų32.60%016%0.163CC..THydrogen-bonded Turntrans-111-0.8177.365.93.1000114.7I318 I319 N320 G326 N339I318-N323 PolarHBondContact O-ND2 3.21Å; I318-N323 VanDerWaalsContact O-ND2 3.14Å; I319-N323 WeakPolarHBondContact CA-OD1 3.45Å; N320-N323 PolarHBondContact N-OD1 3.07Å; N320-N323 PolarHBondContact O-N 3.02Å; N320-N323 PolarHBondContact O-OD1 3.2Å; N320-N323 VanDerWaalsContact O-OD1 3.05Å; N320-N323 PolarHBondContact OD1-N 2.97Å; N320-N323 VanDerWaalsContact OD1-N 3.16Å; N320-N323 PolarHBondContact OD1-OD1 2.92Å; N323-G326 WeakPolarHBondContact O-CA 3.27Å; N323-G326 PolarHBondContact O-N 3.33Å; N323-N339 VanDerWaalsContact O-CB 3.22Å; N323-N339 WeakPolarHBondContact O-CB 3.33Å; N323-N339 PolarHBondContact O-ND2 2.87Å
324S88.7Confident92Very high7 Ų736 Ų365%0.04918%0.179CC..THydrogen-bonded Turntrans-56134.3168.5-162.40000111.3S201 H216 N320 G326 N339 T340S201-S324 WeakPolarHBondContact CB-O 3.35Å; S201-S324 PolarHBondContact N-O 3.39Å; H216-S324 PolarHBondContact NE2-OG 3.11Å; N320-S324 PolarHBondContact O-N 2.86Å; S324-G326 PolarHBondContact O-N 3.22Å; S324-N339 WeakPolarHBondContact CA-O 3.36Å; S324-T340 PolarHBondContact OG-O 3.38Å
325G92.6Very high92.3Very high0 Ų035.1 Ų35.10%017%0.174CC..THydrogen-bonded Turntrans79-15.8-171.100000114.6S201 G202 N214 N339S201-G325 CarbonylContact O-C 3.59Å; S201-G325 VanDerWaalsContact O-CA 3.25Å; S201-G325 WeakPolarHBondContact O-CA 3.46Å; G202-G325 WeakPolarHBondContact CA-O 3.47Å; N214-G325 WeakPolarHBondContact OD1-CA 3.46Å; N214-G325 PolarHBondContact OD1-N 3.44Å; G325-N339 PolarHBondContact N-O 3.48Å
326G95.8Very high92.6Very high0 Ų035.2 Ų35.20%018%0.175CC..SBendtrans-75.1170.3174.700000112.8N323 S324 N339N323-G326 WeakPolarHBondContact O-CA 3.27Å; N323-G326 PolarHBondContact O-N 3.33Å; S324-G326 PolarHBondContact O-N 3.22Å; G326-N339 PolarHBondContact O-N 3.06Å; G326-N339 PolarHBondContact O-ND2 3.15Å
327P97.9Very high92.7Very high0 Ų032 Ų320%016%0.158CC..EExtended strand (participates in β ladder)trans-80.1145.9-178.531.3-31.6000112.2V179 F203 L261 I278 V329 V335 N339V179-P327 HydrophobicContact CG2-CG 3.98Å; F203-P327 HydrophobicContact CB-CB 4.37Å; F203-P327 HydrophobicContact CB-CG 3.94Å; F203-P327 HydrophobicContact CD1-CB 3.62Å; F203-P327 HydrophobicContact CD1-CG 3.94Å; F203-P327 HydrophobicContact CD2-CB 4.48Å; F203-P327 HydrophobicContact CE1-CB 3.96Å; F203-P327 HydrophobicContact CG-CB 3.91Å; F203-P327 HydrophobicContact CG-CG 4.03Å; L261-P327 HydrophobicContact CD1-CB 4.08Å; L261-P327 HydrophobicContact CD1-CG 3.72Å; I278-P327 HydrophobicContact CG2-CG 3.64Å; I278-P327 PolarHBondContact N-O 2.94Å; I278-P327 WeakPolarHBondContact O-CD 3.47Å; P327-V329 HydrophobicContact CB-CG1 3.98Å; P327-V329 HydrophobicContact CG-CG1 4.38Å; P327-V335 HydrophobicContact CB-CG1 4.04Å; P327-V335 HydrophobicContact CB-CG2 3.89Å; P327-N339 PolarHBondContact O-ND2 3.46Å
328L98Very high92.9Very high0 Ų032 Ų320%016%0.158CC..EExtended strand (participates in β ladder)trans-99.1118.4158.3-171.867.5000107.4V275 A277 I313 T315 I336 G337 N339 A350V275-L328 HydrophobicContact CB-CD1 3.87Å; V275-L328 HydrophobicContact CB-CG 4.16Å; V275-L328 HydrophobicContact CG2-CD1 3.89Å; V275-L328 HydrophobicContact CG2-CG 4.47Å; A277-L328 HydrophobicContact CB-CD1 3.79Å; I313-L328 HydrophobicContact CG2-CD2 4.13Å; T315-L328 HydrophobicContact CG2-CD1 4.42Å; T315-L328 HydrophobicContact CG2-CD2 4.28Å; L328-I336 HydrophobicContact CB-CD1 4.17Å; L328-I336 HydrophobicContact CD2-CD1 3.48Å; L328-I336 VanDerWaalsContact CD2-CD1 3.48Å; L328-I336 HydrophobicContact CG-CD1 3.61Å; L328-I336 WeakPolarHBondContact O-CG1 3.37Å; L328-I336 PolarHBondContact O-N 2.86Å; L328-G337 PolarHBondContact N-O 3.36Å; L328-G337 PolarHBondContact O-N 3.04Å; L328-G337 VanDerWaalsContact O-N 3.14Å; L328-N339 WeakPolarHBondContact CB-OD1 3.27Å; L328-A350 HydrophobicContact CB-CB 4.23Å; L328-A350 HydrophobicContact CD2-CB 3.64Å
329V98.4Very high93.1Very high0 Ų027.6 Ų27.60%014%0.135CC..EExtended strand (participates in β ladder)trans-117.3152-174.9-54.60000113V171 I175 V275 V276 P327 E334 V335V171-V329 HydrophobicContact CG1-CG2 3.68Å; I175-V329 HydrophobicContact CD1-CB 4.42Å; I175-V329 HydrophobicContact CD1-CG1 4.15Å; I175-V329 HydrophobicContact CD1-CG2 3.43Å; I175-V329 VanDerWaalsContact CD1-CG2 3.43Å; I175-V329 HydrophobicContact CG2-CG2 4.49Å; V275-V329 CarbonylContact C-O 3.56Å; V275-V329 VanDerWaalsContact CA-O 3.22Å; V275-V329 WeakPolarHBondContact CA-O 3.41Å; V276-V329 HydrophobicContact CB-CG2 3.8Å; V276-V329 PolarHBondContact N-O 3.31Å; V276-V329 PolarHBondContact O-N 3.47Å; P327-V329 HydrophobicContact CB-CG1 3.98Å; P327-V329 HydrophobicContact CG-CG1 4.38Å; V329-E334 WeakPolarHBondContact CA-O 3.49Å; V329-E334 WeakPolarHBondContact CB-O 3.3Å; V329-V335 HydrophobicContact CG1-CG2 4.19Å
330N98.1Very high93Very high19 Ų1927.8 Ų27.810%0.10214%0.136CC..  trans-83.8-179.7169.467.211.1000111.5D332 G333 E334 I336N330-D332 PolarHBondContact O-N 3.32Å; N330-D332 PolarHBondContact OD1-N 2.96Å; N330-D332 VanDerWaalsContact OD1-N 3.12Å; N330-G333 PolarHBondContact O-N 3.33Å; N330-G333 PolarHBondContact OD1-N 2.9Å; N330-E334 PolarHBondContact N-O 3.1Å; N330-E334 PolarHBondContact ND2-OE2 2.86Å; N330-E334 VanDerWaalsContact ND2-OE2 3.14Å; N330-E334 WeakPolarHBondContact OD1-CB 3.36Å; N330-E334 PolarHBondContact OD1-N 3.12Å; N330-E334 PolarHBondContact OD1-O 3.28Å; N330-I336 HydrophobicContact CB-CG1 4.49Å; N330-I336 HydrophobicContact CB-CG2 4.09Å
331L97.9Very high92.4Very high72 Ų7227.9 Ų27.938%0.37714%0.136SC..THydrogen-bonded Turntrans-67.8-17179.8-64-173.5000114.4F167 I168 V171 F274 G333F167-L331 HydrophobicContact CD2-CD1 4.23Å; F167-L331 HydrophobicContact CD2-CD2 3.69Å; F167-L331 HydrophobicContact CE2-CD1 4.48Å; F167-L331 HydrophobicContact CE2-CD2 4.14Å; I168-L331 HydrophobicContact CD1-CD2 3.99Å; V171-L331 HydrophobicContact CG2-CD2 4.31Å; V171-L331 VanDerWaalsContact CG2-O 3.27Å; V171-L331 WeakPolarHBondContact CG2-O 3.37Å; F274-L331 HydrophobicContact CB-CD1 4.11Å; F274-L331 HydrophobicContact CB-CD2 3.81Å; F274-L331 HydrophobicContact CB-CG 4Å; F274-L331 HydrophobicContact CD2-CD1 4.44Å; L331-G333 PolarHBondContact O-N 2.91Å
332D97.9Very high91.7Very high109 Ų10923.6 Ų23.658%0.58312%0.122SC*.THydrogen-bonded Turntrans-82.1-5.7173.9-63.5-43.8000112K174 N330 E334K174-D332 PolarHBondContact NZ-O 3.31Å; N330-D332 PolarHBondContact O-N 3.32Å; N330-D332 PolarHBondContact OD1-N 2.96Å; N330-D332 VanDerWaalsContact OD1-N 3.12Å; D332-E334 VanDerWaalsContact C-N 3.34Å; D332-E334 HydrophobicContact CB-CG 4.12Å
333G97.2Very high90.8Very high8 Ų827.6 Ų27.68%0.08215%0.145CC..SBendtrans78.119.1-176.700000113.3N330 L331N330-G333 PolarHBondContact O-N 3.33Å; N330-G333 PolarHBondContact OD1-N 2.9Å; L331-G333 PolarHBondContact O-N 2.91Å
334E98.4Very high89.4Confident73 Ų7331.2 Ų31.234%0.34117%0.167SC..  trans-89.2140.6174.7-53179.1138.500110.2V329 N330 D332 I336V329-E334 WeakPolarHBondContact CA-O 3.49Å; V329-E334 WeakPolarHBondContact CB-O 3.3Å; N330-E334 PolarHBondContact N-O 3.1Å; N330-E334 PolarHBondContact ND2-OE2 2.86Å; N330-E334 VanDerWaalsContact ND2-OE2 3.14Å; N330-E334 WeakPolarHBondContact OD1-CB 3.36Å; N330-E334 PolarHBondContact OD1-N 3.12Å; N330-E334 PolarHBondContact OD1-O 3.28Å; D332-E334 VanDerWaalsContact C-N 3.34Å; D332-E334 HydrophobicContact CB-CG 4.12Å; E334-I336 PolarHBondContact O-N 2.89Å
335V98.5Very high88.3Confident0 Ų034.8 Ų34.80%020%0.197CC..EExtended strand (participates in β ladder)trans-74.2116.5176.4-177.60000109F203 L261 L262 L263 G264 P327 V329 G337 S353 I356F203-V335 HydrophobicContact CD2-CG2 4.07Å; F203-V335 HydrophobicContact CE1-CG1 4.43Å; F203-V335 HydrophobicContact CE2-CB 4.4Å; F203-V335 HydrophobicContact CE2-CG1 3.98Å; F203-V335 HydrophobicContact CE2-CG2 3.93Å; F203-V335 HydrophobicContact CZ-CG1 3.79Å; L261-V335 HydrophobicContact CB-CG2 3.55Å; L261-V335 HydrophobicContact CD1-CG2 3.75Å; L261-V335 HydrophobicContact CG-CG2 4.29Å; L262-V335 PolarHBondContact O-N 3.08Å; L263-V335 HydrophobicContact CD2-CB 3.82Å; L263-V335 HydrophobicContact CD2-CG1 4Å; G264-V335 PolarHBondContact N-O 2.81Å; P327-V335 HydrophobicContact CB-CG1 4.04Å; P327-V335 HydrophobicContact CB-CG2 3.89Å; V329-V335 HydrophobicContact CG1-CG2 4.19Å; V335-G337 VanDerWaalsContact CG1-O 3.3Å; V335-G337 WeakPolarHBondContact CG1-O 3.27Å; V335-S353 WeakPolarHBondContact O-CB 3.07Å; V335-I356 HydrophobicContact CG1-CD1 4.44Å
336I98Very high87.2Confident1 Ų136.7 Ų36.71%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-102.6-13.7175.957.882.9000112.2L269 V275 I313 L328 N330 E334 S353L269-I336 HydrophobicContact CD1-CB 4.14Å; L269-I336 HydrophobicContact CD1-CD1 3.94Å; L269-I336 HydrophobicContact CD1-CG1 4.4Å; L269-I336 HydrophobicContact CD2-CB 4.06Å; L269-I336 HydrophobicContact CD2-CD1 4.24Å; L269-I336 HydrophobicContact CD2-CG1 4.07Å; L269-I336 HydrophobicContact CD2-CG2 4.04Å; L269-I336 HydrophobicContact CG-CB 4.41Å; V275-I336 HydrophobicContact CG1-CD1 3.98Å; V275-I336 HydrophobicContact CG1-CG1 4.38Å; I313-I336 HydrophobicContact CD1-CD1 3.98Å; I313-I336 WeakPolarHBondContact CD1-O 3.38Å; L328-I336 HydrophobicContact CB-CD1 4.17Å; L328-I336 HydrophobicContact CD2-CD1 3.48Å; L328-I336 VanDerWaalsContact CD2-CD1 3.48Å; L328-I336 HydrophobicContact CG-CD1 3.61Å; L328-I336 WeakPolarHBondContact O-CG1 3.37Å; L328-I336 PolarHBondContact O-N 2.86Å; N330-I336 HydrophobicContact CB-CG1 4.49Å; N330-I336 HydrophobicContact CB-CG2 4.09Å; E334-I336 PolarHBondContact O-N 2.89Å; I336-S353 VanDerWaalsContact O-CB 3.31Å; I336-S353 WeakPolarHBondContact O-CB 3.39Å; I336-S353 PolarHBondContact O-N 2.86Å; I336-S353 PolarHBondContact O-OG 3.23Å; I336-S353 VanDerWaalsContact O-OG 3.11Å
337G96.8Very high86.3Confident0 Ų039.4 Ų39.40%023%0.23CC..EExtended strand (participates in β ladder)trans-169-180166.900000115.5L328 V335 I351L328-G337 PolarHBondContact N-O 3.36Å; L328-G337 PolarHBondContact O-N 3.04Å; L328-G337 VanDerWaalsContact O-N 3.14Å; V335-G337 VanDerWaalsContact CG1-O 3.3Å; V335-G337 WeakPolarHBondContact CG1-O 3.27Å; G337-I351 CarbonylContact C-O 3.57Å; G337-I351 WeakPolarHBondContact CA-O 3.33Å
338I97.3Very high85.8Confident0 Ų039.5 Ų39.50%023%0.231CC..EExtended strand (participates in β ladder)trans-104.6128.4170.2-61.1153000108.5F203 V212 N214 I247 T340 A350 I351 I356F203-I338 HydrophobicContact CE1-CG1 3.88Å; F203-I338 HydrophobicContact CZ-CG1 4.07Å; V212-I338 HydrophobicContact CG1-CD1 3.57Å; V212-I338 HydrophobicContact CG1-CG1 4.11Å; N214-I338 VanDerWaalsContact ND2-CG2 3.33Å; N214-I338 WeakPolarHBondContact ND2-CG2 3.36Å; I247-I338 HydrophobicContact CG1-CD1 4.15Å; I247-I338 HydrophobicContact CG2-CD1 4.01Å; I338-T340 PolarHBondContact O-N 3.27Å; I338-T340 PolarHBondContact O-OG1 3.01Å; I338-T340 VanDerWaalsContact O-OG1 3.11Å; I338-A350 CarbonylContact O-C 3.57Å; I338-A350 WeakPolarHBondContact O-CA 3.41Å; I338-A350 WeakPolarHBondContact O-CB 3.43Å; I338-I351 HydrophobicContact CB-CB 4.36Å; I338-I351 HydrophobicContact CB-CD1 4.46Å; I338-I351 PolarHBondContact N-O 3.22Å; I338-I351 PolarHBondContact O-N 2.73Å; I338-I356 HydrophobicContact CD1-CD1 3.58Å; I338-I356 HydrophobicContact CD1-CG1 3.64Å; I338-I356 HydrophobicContact CG1-CD1 3.47Å; I338-I356 VanDerWaalsContact CG1-CD1 3.47Å; I338-I356 HydrophobicContact CG1-CG1 4.12Å
339N94.4Very high85.4Confident0 Ų039.6 Ų39.60%023%0.232CC..EExtended strand (participates in β ladder)trans-64.4123175.2-60.9-37.4000110.2N214 I278 I319 N323 S324 G325 G326 P327 L328N214-N339 PolarHBondContact OD1-O 2.95Å; I278-N339 PolarHBondContact O-ND2 2.8Å; I319-N339 HydrophobicContact CD1-CB 3.81Å; I319-N339 HydrophobicContact CG1-CB 4.27Å; I319-N339 HydrophobicContact CG2-CB 4.12Å; N323-N339 VanDerWaalsContact O-CB 3.22Å; N323-N339 WeakPolarHBondContact O-CB 3.33Å; N323-N339 PolarHBondContact O-ND2 2.87Å; S324-N339 WeakPolarHBondContact CA-O 3.36Å; G325-N339 PolarHBondContact N-O 3.48Å; G326-N339 PolarHBondContact O-N 3.06Å; G326-N339 PolarHBondContact O-ND2 3.15Å; P327-N339 PolarHBondContact O-ND2 3.46Å; L328-N339 WeakPolarHBondContact CB-OD1 3.27Å
340T83.7Confident85.1Confident7 Ų739.6 Ų39.64%0.04323%0.232CC..EExtended strand (participates in β ladder)trans-124.9-62.3-173.6-39.60000113.5D246 S324 I338 F349 I351D246-T340 WeakPolarHBondContact OD2-CG2 3.38Å; S324-T340 PolarHBondContact OG-O 3.38Å; I338-T340 PolarHBondContact O-N 3.27Å; I338-T340 PolarHBondContact O-OG1 3.01Å; I338-T340 VanDerWaalsContact O-OG1 3.11Å; T340-F349 PolarHBondContact N-O 3.24Å; T340-F349 VanDerWaalsContact N-O 3.09Å; T340-I351 HydrophobicContact CG2-CD1 4.21Å; T340-I351 WeakPolarHBondContact OG1-CD1 3.36Å; T340-I351 WeakPolarHBondContact OG1-CG1 3.29Å
341L67.3Low84.9Confident73 Ų7338.7 Ų38.738%0.38223%0.227SC..EExtended strand (participates in β ladder)trans-131.4142.7-166.7-66173.5000111.4S348 F349L341-S348 WeakPolarHBondContact O-CA 3.36Å; L341-F349 PolarHBondContact N-O 3.3Å; L341-F349 PolarHBondContact O-N 3.42Å
342K62Low84.7Confident118 Ų11836 Ų3651%0.51321%0.213SC..EExtended strand (participates in β ladder)trans-109124.5162.4174.5-180172.9-1780108.4I319I319-K342 WeakPolarHBondContact O-CB 3.37Å; I319-K342 WeakPolarHBondContact O-CD 3.42Å
343V59.8Low84.7Confident93 Ų9330.8 Ų30.856%0.56419%0.185SC*.EExtended strand (participates in β ladder)trans-95.2-44.9177.5175.10000110.7I347 F349V343-I347 PolarHBondContact N-O 3.17Å; V343-F349 HydrophobicContact CB-CE2 4.04Å; V343-F349 HydrophobicContact CG2-CD2 3.74Å; V343-F349 HydrophobicContact CG2-CE2 3.46Å; V343-F349 VanDerWaalsContact CG2-CE2 3.46Å
344T58.2Low84.5Confident76 Ų7632.4 Ų32.447%0.46619%0.192SC..EExtended strand (participates in β ladder)trans-152.5175.8177.3-173.60000110.5G346 I347T344-G346 PolarHBondContact O-N 2.91Å; T344-I347 HydrophobicContact CG2-CB 3.87Å; T344-I347 HydrophobicContact CG2-CD1 3.74Å; T344-I347 HydrophobicContact CG2-CG1 3.88Å; T344-I347 PolarHBondContact O-N 3.06Å
345A66.1Low84.2Confident82 Ų8233.1 Ų33.168%0.67819%0.194SC*.THydrogen-bonded Turntrans-60129.1174.800000110.6I347A345-I347 VanDerWaalsContact C-N 3.28Å; A345-I347 PolarHBondContact O-N 3.32Å
346G69.6Low84.1Confident40 Ų4033.1 Ų33.141%0.41219%0.194SC..THydrogen-bonded Turntrans76.45.9-17900000115.5T344T344-G346 PolarHBondContact O-N 2.91Å
347I77.6Confident84Confident56 Ų5638 Ų3829%0.28721%0.213SC..EExtended strand (participates in β ladder)trans-133.5102.9174.8-52.7-178.1000109.7Q314 V343 T344 A345 F349Q314-I347 HydrophobicContact CG-CG2 4.06Å; V343-I347 PolarHBondContact N-O 3.17Å; T344-I347 HydrophobicContact CG2-CB 3.87Å; T344-I347 HydrophobicContact CG2-CD1 3.74Å; T344-I347 HydrophobicContact CG2-CG1 3.88Å; T344-I347 PolarHBondContact O-N 3.06Å; A345-I347 VanDerWaalsContact C-N 3.28Å; A345-I347 PolarHBondContact O-N 3.32Å; I347-F349 HydrophobicContact CG2-CE1 4.36Å; I347-F349 HydrophobicContact CG2-CE2 3.6Å; I347-F349 HydrophobicContact CG2-CZ 3.4Å; I347-F349 VanDerWaalsContact CG2-CZ 3.4Å
348S86.6Confident83.8Confident2 Ų242.4 Ų42.41%0.01423%0.233CC..EExtended strand (participates in β ladder)trans-120.3156.8174.6-48.80000110.5Q314 T315 A317 I319 L341Q314-S348 WeakPolarHBondContact CA-O 3.06Å; T315-S348 PolarHBondContact N-O 3.05Å; T315-S348 PolarHBondContact O-N 3.14Å; A317-S348 VanDerWaalsContact O-CB 3.25Å; A317-S348 WeakPolarHBondContact O-CB 3.38Å; A317-S348 PolarHBondContact O-OG 2.03Å; I319-S348 PolarHBondContact N-OG 3.05Å; L341-S348 WeakPolarHBondContact O-CA 3.36Å
349F88.8Confident83.6Confident3 Ų342.8 Ų42.81%0.01324%0.235CC..EExtended strand (participates in β ladder)trans-126142.7-177.8-64.3-73.1000112.4R298 L303 Y312 I313 Q314 I319 T340 L341 V343 I347R298-F349 HydrophobicContact CB-CE1 4.42Å; L303-F349 HydrophobicContact CD1-CD1 3.8Å; L303-F349 HydrophobicContact CD1-CD2 4.06Å; L303-F349 HydrophobicContact CD1-CE1 3.65Å; L303-F349 HydrophobicContact CD1-CE2 3.91Å; L303-F349 HydrophobicContact CD1-CG 4.02Å; L303-F349 HydrophobicContact CD1-CZ 3.72Å; L303-F349 HydrophobicContact CD2-CE1 3.81Å; L303-F349 HydrophobicContact CD2-CE2 3.65Å; L303-F349 HydrophobicContact CD2-CZ 3.2Å; L303-F349 HydrophobicContact CG-CE1 4.35Å; L303-F349 HydrophobicContact CG-CE2 4.41Å; L303-F349 HydrophobicContact CG-CZ 4.1Å; Y312-F349 HydrophobicContact CD1-CB 4.39Å; Y312-F349 HydrophobicContact CG-CB 4.43Å; I313-F349 CarbonylContact O-C 3.53Å; I313-F349 VanDerWaalsContact O-CA 3.3Å; I313-F349 WeakPolarHBondContact O-CA 3.49Å; Q314-F349 HydrophobicContact CB-CD1 4.25Å; Q314-F349 HydrophobicContact CB-CE1 3.83Å; Q314-F349 HydrophobicContact CG-CD1 4.44Å; Q314-F349 HydrophobicContact CG-CE1 3.75Å; Q314-F349 HydrophobicContact CG-CZ 4.19Å; I319-F349 WeakPolarHBondContact CD1-O 3.23Å; T340-F349 PolarHBondContact N-O 3.24Å; T340-F349 VanDerWaalsContact N-O 3.09Å; L341-F349 PolarHBondContact N-O 3.3Å; L341-F349 PolarHBondContact O-N 3.42Å; V343-F349 HydrophobicContact CB-CE2 4.04Å; V343-F349 HydrophobicContact CG2-CD2 3.74Å; V343-F349 HydrophobicContact CG2-CE2 3.46Å; V343-F349 VanDerWaalsContact CG2-CE2 3.46Å; I347-F349 HydrophobicContact CG2-CE1 4.36Å; I347-F349 HydrophobicContact CG2-CE2 3.6Å; I347-F349 HydrophobicContact CG2-CZ 3.4Å; I347-F349 VanDerWaalsContact CG2-CZ 3.4Å
350A92.7Very high83.6Confident0 Ų044.7 Ų44.70%025%0.245CC..EExtended strand (participates in β ladder)trans-128.3144.917200000111.7I313 L328 I338I313-A350 HydrophobicContact CB-CB 4.35Å; I313-A350 PolarHBondContact N-O 3.35Å; I313-A350 PolarHBondContact O-N 2.72Å; L328-A350 HydrophobicContact CB-CB 4.23Å; L328-A350 HydrophobicContact CD2-CB 3.64Å; I338-A350 CarbonylContact O-C 3.57Å; I338-A350 WeakPolarHBondContact O-CA 3.41Å; I338-A350 WeakPolarHBondContact O-CB 3.43Å
351I93.2Very high84Confident0 Ų047 Ų470%027%0.265CS..EExtended strand (participates in β ladder)trans-72.9127.1173.5-64.5153.7000108.7N214 A245 D246 I247 Y312 G337 I338 T340 K355N214-I351 VanDerWaalsContact ND2-CD1 3.26Å; N214-I351 WeakPolarHBondContact ND2-CD1 3.41Å; A245-I351 WeakPolarHBondContact O-CD1 3.3Å; D246-I351 HydrophobicContact CB-CD1 4.2Å; D246-I351 VanDerWaalsContact O-CD1 3.32Å; D246-I351 WeakPolarHBondContact O-CD1 3.34Å; I247-I351 HydrophobicContact CD1-CG2 3.83Å; I247-I351 HydrophobicContact CG1-CD1 4.08Å; I247-I351 HydrophobicContact CG1-CG2 4.07Å; Y312-I351 HydrophobicContact CD1-CG1 4.5Å; Y312-I351 HydrophobicContact CE1-CG1 4.22Å; G337-I351 CarbonylContact C-O 3.57Å; G337-I351 WeakPolarHBondContact CA-O 3.33Å; I338-I351 HydrophobicContact CB-CB 4.36Å; I338-I351 HydrophobicContact CB-CD1 4.46Å; I338-I351 PolarHBondContact N-O 3.22Å; I338-I351 PolarHBondContact O-N 2.73Å; T340-I351 HydrophobicContact CG2-CD1 4.21Å; T340-I351 WeakPolarHBondContact OG1-CD1 3.36Å; T340-I351 WeakPolarHBondContact OG1-CG1 3.29Å; I351-K355 HydrophobicContact CG2-CB 4.21Å
352P95Very high85.1Confident14 Ų1447.2 Ų47.29%0.09126%0.264CS..EExtended strand (participates in β ladder)trans-62.2139.9-176.4-21.330.8000114S266 D311 I313 D354 K355 I356S266-P352 WeakPolarHBondContact OG-CB 3.44Å; D311-P352 VanDerWaalsContact O-CD 3.27Å; D311-P352 WeakPolarHBondContact O-CD 3.34Å; D311-P352 VanDerWaalsContact O-CG 3.24Å; D311-P352 WeakPolarHBondContact O-CG 3.33Å; I313-P352 HydrophobicContact CD1-CB 4.25Å; I313-P352 HydrophobicContact CG1-CB 4.4Å; I313-P352 HydrophobicContact CG1-CG 4.25Å; P352-D354 PolarHBondContact O-N 3.21Å; P352-K355 HydrophobicContact CB-CG 4.46Å; P352-K355 WeakPolarHBondContact O-CB 2.99Å; P352-K355 PolarHBondContact O-N 2.93Å; P352-I356 PolarHBondContact O-N 2.73Å
353S96.6Very high86.3Confident0 Ų041.6 Ų41.60%024%0.24CC..Hα-helixtrans-57-31178.6520000114.5G264 S266 V335 I336 K355 I356 R357G264-S353 PolarHBondContact O-OG 3.35Å; G264-S353 VanDerWaalsContact O-OG 3.08Å; S266-S353 VanDerWaalsContact CB-OG 3.29Å; S266-S353 WeakPolarHBondContact CB-OG 3.2Å; S266-S353 PolarHBondContact N-OG 3.29Å; S266-S353 PolarHBondContact OG-N 3.25Å; S266-S353 PolarHBondContact OG-OG 2.98Å; V335-S353 WeakPolarHBondContact O-CB 3.07Å; I336-S353 VanDerWaalsContact O-CB 3.31Å; I336-S353 WeakPolarHBondContact O-CB 3.39Å; I336-S353 PolarHBondContact O-N 2.86Å; I336-S353 PolarHBondContact O-OG 3.23Å; I336-S353 VanDerWaalsContact O-OG 3.11Å; S353-K355 VanDerWaalsContact C-N 3.26Å; S353-K355 PolarHBondContact O-N 2.77Å; S353-I356 WeakPolarHBondContact O-CB 3.25Å; S353-I356 PolarHBondContact O-N 3.37Å; S353-I356 VanDerWaalsContact O-N 3.15Å; S353-R357 WeakPolarHBondContact O-CB 3.31Å; S353-R357 PolarHBondContact O-N 2.93Å
354D94.2Very high87.6Confident43 Ų4343.2 Ų43.223%0.2324%0.241CC..Hα-helixtrans-68-28.3176.2-65.4-43.6000112.1S266 A267 P352 R357 Q358S266-D354 PolarHBondContact N-OD2 3.12Å; S266-D354 VanDerWaalsContact N-OD2 3.13Å; S266-D354 WeakPolarHBondContact OG-CB 3.48Å; S266-D354 PolarHBondContact OG-N 3.35Å; S266-D354 PolarHBondContact OG-OD2 3.27Å; A267-D354 PolarHBondContact N-OD2 3.03Å; P352-D354 PolarHBondContact O-N 3.21Å; D354-R357 IonicContact OD1-NE 3.45Å; D354-Q358 PolarHBondContact O-N 2.92Å
355K92.6Very high88.8Confident87 Ų8743.1 Ų43.138%0.37824%0.237SC..Hα-helixtrans-71.7-37.7170.4-65.6-62.6-179.5-1740112I351 P352 S353 R357 Q358 F359I351-K355 HydrophobicContact CG2-CB 4.21Å; P352-K355 HydrophobicContact CB-CG 4.46Å; P352-K355 WeakPolarHBondContact O-CB 2.99Å; P352-K355 PolarHBondContact O-N 2.93Å; S353-K355 VanDerWaalsContact C-N 3.26Å; S353-K355 PolarHBondContact O-N 2.77Å; K355-R357 VanDerWaalsContact C-N 3.33Å; K355-Q358 PolarHBondContact O-N 2.74Å; K355-F359 WeakPolarHBondContact O-CB 3.35Å; K355-F359 PolarHBondContact O-N 3.07Å
356I94.9Very high89.5Confident0 Ų042 Ų420%022%0.216CC..Hα-helixtrans-60.9-46.8172.2-47.9172.7000109.9F203 V212 I247 L263 V335 I338 P352 S353 Q358 F359 L360F203-I356 HydrophobicContact CZ-CD1 4.36Å; V212-I356 HydrophobicContact CG1-CG2 4.05Å; V212-I356 HydrophobicContact CG2-CG2 4.3Å; I247-I356 HydrophobicContact CD1-CG1 4.43Å; L263-I356 HydrophobicContact CD1-CB 4.12Å; L263-I356 HydrophobicContact CD1-CG2 3.96Å; L263-I356 HydrophobicContact CD2-CD1 4.34Å; L263-I356 HydrophobicContact CD2-CG2 4.35Å; V335-I356 HydrophobicContact CG1-CD1 4.44Å; I338-I356 HydrophobicContact CD1-CD1 3.58Å; I338-I356 HydrophobicContact CD1-CG1 3.64Å; I338-I356 HydrophobicContact CG1-CD1 3.47Å; I338-I356 VanDerWaalsContact CG1-CD1 3.47Å; I338-I356 HydrophobicContact CG1-CG1 4.12Å; P352-I356 PolarHBondContact O-N 2.73Å; S353-I356 WeakPolarHBondContact O-CB 3.25Å; S353-I356 PolarHBondContact O-N 3.37Å; S353-I356 VanDerWaalsContact O-N 3.15Å; I356-Q358 VanDerWaalsContact C-N 3.33Å; I356-Q358 PolarHBondContact O-N 3.03Å; I356-F359 WeakPolarHBondContact O-CB 3.04Å; I356-F359 PolarHBondContact O-N 2.92Å; I356-L360 HydrophobicContact CG2-CD1 4.1Å; I356-L360 HydrophobicContact CG2-CG 4.27Å; I356-L360 WeakPolarHBondContact O-CG 3.12Å; I356-L360 PolarHBondContact O-N 3.5Å
357R95.6Very high89.9Confident104 Ų10444.7 Ų44.739%0.39222%0.217SC..Hα-helixtrans-57.9-46.1178.4-169.7-170.5-54.1-92.6-7.3111.3L263 G264 S353 D354 K355 L360 A361L263-R357 HydrophobicContact CD1-CB 4.16Å; L263-R357 PolarHBondContact O-NH2 3.09Å; G264-R357 PolarHBondContact O-NH2 3.43Å; S353-R357 WeakPolarHBondContact O-CB 3.31Å; S353-R357 PolarHBondContact O-N 2.93Å; D354-R357 IonicContact OD1-NE 3.45Å; K355-R357 VanDerWaalsContact C-N 3.33Å; R357-L360 PolarHBondContact O-N 2.85Å; R357-A361 WeakPolarHBondContact O-CB 3.39Å; R357-A361 PolarHBondContact O-N 2.79Å
358Q93.7Very high89.9Confident93 Ų9345.6 Ų45.644%0.43523%0.233SC..Hα-helixtrans-59.1-50.4174.4-177.6-178.1-700111.2D354 K355 I356 L360 A361 E362D354-Q358 PolarHBondContact O-N 2.92Å; K355-Q358 PolarHBondContact O-N 2.74Å; I356-Q358 VanDerWaalsContact C-N 3.33Å; I356-Q358 PolarHBondContact O-N 3.03Å; Q358-L360 PolarHBondContact O-N 3.12Å; Q358-A361 PolarHBondContact O-N 3.07Å; Q358-E362 HydrophobicContact CG-CG 4.48Å; Q358-E362 WeakPolarHBondContact CG-OE1 3.48Å; Q358-E362 PolarHBondContact NE2-OE1 3.02Å; Q358-E362 WeakPolarHBondContact O-CG 3.14Å; Q358-E362 PolarHBondContact O-N 3.36Å
359F93.8Very high89.4Confident7 Ų752 Ų523%0.03126%0.261CS..Hα-helixtrans-58.6-44.5179.3167.6-101.1000112.6D240 D242 I247 L249 K355 I356 E362 S363D240-F359 HydrophobicContact CB-CE2 4.22Å; D240-F359 HydrophobicContact CB-CZ 3.82Å; D242-F359 HydrophobicContact CB-CD2 3.85Å; D242-F359 HydrophobicContact CB-CE2 3.83Å; I247-F359 HydrophobicContact CB-CD1 4.33Å; I247-F359 HydrophobicContact CB-CE1 4.41Å; I247-F359 HydrophobicContact CB-CG 4.42Å; I247-F359 HydrophobicContact CD1-CB 4.24Å; I247-F359 HydrophobicContact CG2-CD1 3.55Å; I247-F359 HydrophobicContact CG2-CE1 3.62Å; I247-F359 HydrophobicContact CG2-CG 4.09Å; I247-F359 HydrophobicContact CG2-CZ 4.26Å; L249-F359 HydrophobicContact CB-CE1 3.83Å; L249-F359 HydrophobicContact CB-CZ 4.09Å; K355-F359 WeakPolarHBondContact O-CB 3.35Å; K355-F359 PolarHBondContact O-N 3.07Å; I356-F359 WeakPolarHBondContact O-CB 3.04Å; I356-F359 PolarHBondContact O-N 2.92Å; F359-E362 PolarHBondContact O-N 3.48Å; F359-S363 VanDerWaalsContact O-CB 3.27Å; F359-S363 WeakPolarHBondContact O-CB 3.49Å; F359-S363 PolarHBondContact O-N 2.81Å
360L94.3Very high88Confident40 Ų4054.7 Ų54.721%0.20929%0.29CS..Hα-helixtrans-64.2-42.2177.9-70.5177.3000112V212 L249 L263 I356 R357 Q358 S363 H364V212-L360 HydrophobicContact CG2-CD2 4.05Å; L249-L360 HydrophobicContact CD1-CD2 3.71Å; L249-L360 HydrophobicContact CD2-CD2 4.12Å; L249-L360 HydrophobicContact CG-CD2 4.45Å; L263-L360 HydrophobicContact CD1-CD1 3.94Å; I356-L360 HydrophobicContact CG2-CD1 4.1Å; I356-L360 HydrophobicContact CG2-CG 4.27Å; I356-L360 WeakPolarHBondContact O-CG 3.12Å; I356-L360 PolarHBondContact O-N 3.5Å; R357-L360 PolarHBondContact O-N 2.85Å; Q358-L360 PolarHBondContact O-N 3.12Å; L360-S363 PolarHBondContact O-N 3.31Å; L360-H364 WeakPolarHBondContact O-CB 3.3Å; L360-H364 PolarHBondContact O-N 2.89Å
361A92.3Very high86.1Confident57 Ų5762 Ų6247%0.47132%0.321SS..Hα-helixtrans-63.1-46.5177.200000111.3R357 Q358 S363 H364 D365R357-A361 WeakPolarHBondContact O-CB 3.39Å; R357-A361 PolarHBondContact O-N 2.79Å; Q358-A361 PolarHBondContact O-N 3.07Å; A361-S363 VanDerWaalsContact C-N 3.34Å; A361-S363 PolarHBondContact O-N 3.36Å; A361-H364 PolarHBondContact O-N 2.72Å; A361-D365 WeakPolarHBondContact O-CB 3.19Å; A361-D365 PolarHBondContact O-N 3.19Å
362E89.4Confident84.2Confident77 Ų7768 Ų6836%0.3636%0.359SS..Hα-helixtrans-65.2-37.4176.7-67.7177.8-167.800112.3Q358 F359 D365 R366Q358-E362 HydrophobicContact CG-CG 4.48Å; Q358-E362 WeakPolarHBondContact CG-OE1 3.48Å; Q358-E362 PolarHBondContact NE2-OE1 3.02Å; Q358-E362 WeakPolarHBondContact O-CG 3.14Å; Q358-E362 PolarHBondContact O-N 3.36Å; F359-E362 PolarHBondContact O-N 3.48Å; E362-D365 PolarHBondContact O-N 2.84Å; E362-R366 WeakPolarHBondContact O-CG 3.13Å; E362-R366 PolarHBondContact O-N 2.91Å; E362-R366 IonicContact OE2-NH1 3.25Å; E362-R366 PolarHBondContact OE2-NH1 3.29Å
363S87.4Confident82.2Confident0 Ų070 Ų700%037%0.368CS..Hα-helixtrans-63.6-47.4176-169.90000111.7D240 F359 L360 A361 D365 R366 Q367D240-S363 VanDerWaalsContact CB-OG 3.24Å; D240-S363 WeakPolarHBondContact CB-OG 3.44Å; D240-S363 VanDerWaalsContact OD2-CA 3.29Å; D240-S363 WeakPolarHBondContact OD2-CA 3.44Å; D240-S363 WeakPolarHBondContact OD2-CB 3.41Å; D240-S363 PolarHBondContact OD2-OG 2.96Å; F359-S363 VanDerWaalsContact O-CB 3.27Å; F359-S363 WeakPolarHBondContact O-CB 3.49Å; F359-S363 PolarHBondContact O-N 2.81Å; L360-S363 PolarHBondContact O-N 3.31Å; A361-S363 VanDerWaalsContact C-N 3.34Å; A361-S363 PolarHBondContact O-N 3.36Å; S363-D365 VanDerWaalsContact C-N 3.31Å; S363-D365 PolarHBondContact O-N 3.42Å; S363-R366 PolarHBondContact O-N 3.29Å; S363-Q367 VanDerWaalsContact O-CG 3.3Å; S363-Q367 WeakPolarHBondContact O-CG 3.33Å; S363-Q367 PolarHBondContact O-N 2.75Å; S363-Q367 PolarHBondContact OG-NE2 2.94Å
364H87.3Confident80.3Confident127 Ų12775.3 Ų75.359%0.58840%0.402SS*.Hα-helixtrans-58-45.5175.2177.2-88000111.1L360 A361 R366 Q367 A368L360-H364 WeakPolarHBondContact O-CB 3.3Å; L360-H364 PolarHBondContact O-N 2.89Å; A361-H364 PolarHBondContact O-N 2.72Å; H364-R366 PolarHBondContact O-N 2.93Å; H364-Q367 PolarHBondContact O-N 2.56Å; H364-A368 WeakPolarHBondContact O-CB 3.31Å; H364-A368 PolarHBondContact O-N 3.39Å
365D83.7Confident78.8Confident74 Ų7478.5 Ų78.540%0.39641%0.414SS..Hα-helixtrans-60.5-43.2176.4-99.531.1000113.1A361 E362 S363 K369A361-D365 WeakPolarHBondContact O-CB 3.19Å; A361-D365 PolarHBondContact O-N 3.19Å; E362-D365 PolarHBondContact O-N 2.84Å; S363-D365 VanDerWaalsContact C-N 3.31Å; S363-D365 PolarHBondContact O-N 3.42Å; D365-K369 VanDerWaalsContact O-CB 3.28Å; D365-K369 WeakPolarHBondContact O-CB 3.43Å; D365-K369 WeakPolarHBondContact O-CD 3.25Å; D365-K369 VanDerWaalsContact O-CG 3.26Å; D365-K369 WeakPolarHBondContact O-CG 3.38Å; D365-K369 PolarHBondContact O-N 2.75Å; D365-K369 IonicContact OD2-NZ 2.6Å; D365-K369 PolarHBondContact OD2-NZ 3.06Å
366R80.8Confident77.9Confident59 Ų5979.1 Ų79.122%0.22342%0.417CS..Hα-helixtrans-60.9-45.7175.7-77.1-174.5-72.8-92.95.4111.2D240 E362 S363 H364 G370 K371D240-R366 IonicContact OD1-NE 3.25Å; D240-R366 IonicContact OD1-NH2 3.91Å; D240-R366 IonicContact OD2-CZ 3.57Å; D240-R366 VanDerWaalsContact OD2-CZ 3.25Å; D240-R366 IonicContact OD2-NE 3.54Å; D240-R366 PolarHBondContact OD2-NE 2.82Å; D240-R366 IonicContact OD2-NH2 3.88Å; D240-R366 PolarHBondContact OD2-NH2 2.83Å; E362-R366 WeakPolarHBondContact O-CG 3.13Å; E362-R366 PolarHBondContact O-N 2.91Å; E362-R366 IonicContact OE2-NH1 3.25Å; E362-R366 PolarHBondContact OE2-NH1 3.29Å; S363-R366 PolarHBondContact O-N 3.29Å; H364-R366 PolarHBondContact O-N 2.93Å; R366-G370 PolarHBondContact O-N 3.28Å; R366-K371 PolarHBondContact O-N 3.43Å; R366-K371 VanDerWaalsContact O-N 3.16Å
367Q78.2Confident77.4Confident96 Ų9681.1 Ų81.145%0.44943%0.426SS..Hα-helixtrans-64.9-45.7178.9-69.1177.743.800111.7S363 H364 K369 G370S363-Q367 VanDerWaalsContact O-CG 3.3Å; S363-Q367 WeakPolarHBondContact O-CG 3.33Å; S363-Q367 PolarHBondContact O-N 2.75Å; S363-Q367 PolarHBondContact OG-NE2 2.94Å; H364-Q367 PolarHBondContact O-N 2.56Å; Q367-K369 PolarHBondContact O-N 3.45Å; Q367-G370 PolarHBondContact O-N 3.35Å
368A77.8Confident76.9Confident75 Ų7579.5 Ų79.562%0.6242%0.42SS*.Hα-helixtrans-65.4-36.6179.400000112.8H364 G370H364-A368 WeakPolarHBondContact O-CB 3.31Å; H364-A368 PolarHBondContact O-N 3.39Å; A368-G370 PolarHBondContact O-N 2.92Å
369K74.5Confident76.6Confident135 Ų13575.3 Ų75.359%0.58740%0.401SS*.THydrogen-bonded Turntrans-81.2-0.9179.6-69.2166.1-178.3158.70113.2D365 Q367 K371D365-K369 VanDerWaalsContact O-CB 3.28Å; D365-K369 WeakPolarHBondContact O-CB 3.43Å; D365-K369 WeakPolarHBondContact O-CD 3.25Å; D365-K369 VanDerWaalsContact O-CG 3.26Å; D365-K369 WeakPolarHBondContact O-CG 3.38Å; D365-K369 PolarHBondContact O-N 2.75Å; D365-K369 IonicContact OD2-NZ 2.6Å; D365-K369 PolarHBondContact OD2-NZ 3.06Å; Q367-K369 PolarHBondContact O-N 3.45Å; K369-K371 PolarHBondContact O-N 3.33Å
370G60.4Low76.1Confident61 Ų6175 Ų7563%0.62940%0.399SS*.THydrogen-bonded Turntrans59.317-175.100000113.5R366 Q367 A368 T372R366-G370 PolarHBondContact O-N 3.28Å; Q367-G370 PolarHBondContact O-N 3.35Å; A368-G370 PolarHBondContact O-N 2.92Å; G370-T372 VanDerWaalsContact C-N 3.34Å; G370-T372 PolarHBondContact O-N 3.39Å
371K52Low75.2Confident152 Ų15274.1 Ų74.166%0.66140%0.396SS*.  trans-76.791.4177.5-88.7-172.9174.7-177.40107.2R366 K369 L373R366-K371 PolarHBondContact O-N 3.43Å; R366-K371 VanDerWaalsContact O-N 3.16Å; K369-K371 PolarHBondContact O-N 3.33Å; K371-L373 PolarHBondContact O-N 2.85Å; K371-L373 VanDerWaalsContact O-N 3.12Å
372T52.8Low74Confident128 Ų12878.3 Ų78.379%0.78540%0.399SS*.  trans-48.2119.6159.144.60000107.4G370G370-T372 VanDerWaalsContact C-N 3.34Å; G370-T372 PolarHBondContact O-N 3.39Å
373L55Low73.6Confident56 Ų5676.5 Ų76.529%0.29339%0.391SS..  trans-43.4134.4169.7-78.5156.3000107.9K371 K375 P476K371-L373 PolarHBondContact O-N 2.85Å; K371-L373 VanDerWaalsContact O-N 3.12Å; L373-K375 PolarHBondContact O-N 3.24Å; L373-K375 VanDerWaalsContact O-N 3.16Å; L373-P476 HydrophobicContact CB-CB 3.86Å; L373-P476 HydrophobicContact CB-CG 3.32Å; L373-P476 HydrophobicContact CD1-CB 3.59Å; L373-P476 HydrophobicContact CD1-CG 3.99Å; L373-P476 HydrophobicContact CG-CB 4.38Å; L373-P476 HydrophobicContact CG-CG 4.29Å
374P55.8Low72.9Confident110 Ų11080.1 Ų80.171%0.71441%0.409SS*.PPolyproline II helixtrans-56.1128179.523.6-31.9000107.8K376P374-K376 PolarHBondContact O-N 3.38Å; P374-K376 VanDerWaalsContact O-N 3.11Å
375K62.2Low72.6Confident111 Ų11176.3 Ų76.348%0.48340%0.397SS..PPolyproline II helixtrans-50.4123178.5-66.5177.4175.5-174.50108.6L373 E473 I474 D475L373-K375 PolarHBondContact O-N 3.24Å; L373-K375 VanDerWaalsContact O-N 3.16Å; K375-E473 HydrophobicContact CB-CB 3.99Å; K375-E473 HydrophobicContact CB-CG 4.27Å; K375-E473 HydrophobicContact CD-CB 4Å; K375-E473 HydrophobicContact CD-CG 4.48Å; K375-E473 WeakPolarHBondContact CD-OE2 3.41Å; K375-E473 IonicContact NZ-OE2 3.46Å; K375-E473 PolarHBondContact NZ-OE2 3.21Å; K375-I474 WeakPolarHBondContact CA-O 3.37Å; K375-D475 WeakPolarHBondContact CE-OD1 3.04Å
376K74.8Confident72.4Confident99 Ų9973.1 Ų73.143%0.4338%0.38SS..EExtended strand (participates in β ladder)trans-79.5137.8178.1-76.8-177.5178.6174.70107.7E243 P374 I474E243-K376 IonicContact OE1-NZ 3.53Å; E243-K376 IonicContact OE2-NZ 2.68Å; E243-K376 PolarHBondContact OE2-NZ 3.1Å; P374-K376 PolarHBondContact O-N 3.38Å; P374-K376 VanDerWaalsContact O-N 3.11Å; K376-I474 HydrophobicContact CB-CD1 4.46Å; K376-I474 HydrophobicContact CB-CG1 4.12Å; K376-I474 PolarHBondContact N-O 3.28Å; K376-I474 WeakPolarHBondContact O-CG1 3.46Å; K376-I474 PolarHBondContact O-N 3.36Å
377K83.9Confident72.5Confident42 Ų4272.8 Ų72.818%0.18338%0.384CS..EExtended strand (participates in β ladder)trans-82135.3170.6-71.9176.9178178.30109.7I448 D451 D452 P471 E472 E473K377-I448 HydrophobicContact CB-CG2 3.85Å; K377-I448 VanDerWaalsContact CB-O 3.31Å; K377-I448 WeakPolarHBondContact CB-O 3.32Å; K377-I448 WeakPolarHBondContact CD-O 3.28Å; K377-I448 WeakPolarHBondContact O-CG2 3.22Å; K377-D451 PolarHBondContact NZ-O 3.4Å; K377-D451 VanDerWaalsContact NZ-O 3.14Å; K377-D452 WeakPolarHBondContact CE-OD1 3.45Å; K377-D452 IonicContact NZ-OD1 3.88Å; K377-D452 PolarHBondContact NZ-OD1 3.2Å; K377-P471 HydrophobicContact CB-CB 3.86Å; K377-P471 HydrophobicContact CD-CB 4.42Å; K377-P471 HydrophobicContact CG-CB 4.31Å; K377-E472 CarbonylContact C-O 3.43Å; K377-E472 WeakPolarHBondContact CA-O 3.48Å; K377-E473 HydrophobicContact CG-CG 4.39Å
378Y84.6Confident72.8Confident71 Ų7172.6 Ų72.628%0.27839%0.391SS..EExtended strand (participates in β ladder)trans-140.3143.3-175.3173.5-97.5000110.9G380 I414 T417 E472 I474Y378-G380 VanDerWaalsContact CE1-N 3.28Å; Y378-G380 WeakPolarHBondContact OH-CA 3.16Å; Y378-I414 WeakPolarHBondContact OH-CD1 3Å; Y378-T417 HydrophobicContact CE1-CG2 3.97Å; Y378-E472 PolarHBondContact N-O 3.2Å; Y378-E472 PolarHBondContact O-N 3.15Å; Y378-I474 HydrophobicContact CG-CD1 4.3Å
379I86.9Confident72.8Confident5 Ų573.2 Ų73.23%0.02639%0.391CS..  trans-120.2-13.517766.2170.5000114.5V381 T417 P418 A419 I448 L454 I469 P471I379-V381 HydrophobicContact CD1-CG1 3.72Å; I379-V381 HydrophobicContact CG1-CB 4.45Å; I379-V381 HydrophobicContact CG1-CG1 3.8Å; I379-T417 WeakPolarHBondContact O-CB 2.97Å; I379-T417 PolarHBondContact O-OG1 3.48Å; I379-P418 HydrophobicContact CB-CB 4.44Å; I379-A419 HydrophobicContact CB-CB 4.45Å; I379-A419 WeakPolarHBondContact O-CB 3.36Å; I379-A419 PolarHBondContact O-N 3.49Å; I379-I448 HydrophobicContact CD1-CD1 3.62Å; I379-I448 HydrophobicContact CD1-CG1 4.08Å; I379-I448 HydrophobicContact CG1-CD1 3.72Å; I379-I448 HydrophobicContact CG1-CG1 4.31Å; I379-I448 HydrophobicContact CG2-CD1 4.44Å; I379-I448 HydrophobicContact CG2-CG1 4.14Å; I379-I448 HydrophobicContact CG2-CG2 4.41Å; I379-L454 HydrophobicContact CG2-CD1 4.18Å; I379-I469 HydrophobicContact CB-CG2 3.96Å; I379-I469 HydrophobicContact CD1-CD1 4.41Å; I379-I469 HydrophobicContact CG2-CG2 3.7Å; I379-P471 HydrophobicContact CG2-CB 3.88Å; I379-P471 HydrophobicContact CG2-CG 3.85Å
380G83.6Confident72.9Confident0 Ų068.2 Ų68.20%037%0.371CS..  trans84.544.4177.900000117.2Y378 I414Y378-G380 VanDerWaalsContact CE1-N 3.28Å; Y378-G380 WeakPolarHBondContact OH-CA 3.16Å; G380-I414 WeakPolarHBondContact O-CB 3.03Å; G380-I414 PolarHBondContact O-N 3.36Å
381V76Confident73.9Confident22 Ų2265.7 Ų65.713%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-130.1140.7179.8720000111.7I379 M383 V410 E412 L424I379-V381 HydrophobicContact CD1-CG1 3.72Å; I379-V381 HydrophobicContact CG1-CB 4.45Å; I379-V381 HydrophobicContact CG1-CG1 3.8Å; V381-M383 HydrophobicContact CG1-SD 4.41Å; V381-V410 HydrophobicContact CG2-CB 4.36Å; V381-V410 HydrophobicContact CG2-CG1 3.58Å; V381-V410 HydrophobicContact CG2-CG2 4.09Å; V381-E412 WeakPolarHBondContact CA-O 3.35Å; V381-E412 WeakPolarHBondContact CG2-O 3.34Å; V381-L424 HydrophobicContact CB-CD2 4.29Å; V381-L424 HydrophobicContact CG2-CD2 3.81Å
382R66.4Low75.4Confident144 Ų14464.9 Ų64.954%0.54334%0.341SS..EExtended strand (participates in β ladder)trans-101.7130.3161.6-65.117372.7-170.83.1108.6I411 E412R382-I411 HydrophobicContact CB-CB 4.36Å; R382-I411 WeakPolarHBondContact O-CB 3.43Å; R382-I411 PolarHBondContact O-N 3.16Å; R382-E412 HydrophobicContact CB-CB 4.1Å; R382-E412 WeakPolarHBondContact CD-OE2 3.09Å; R382-E412 HydrophobicContact CG-CB 4.47Å; R382-E412 IonicContact CZ-OE2 3.55Å; R382-E412 PolarHBondContact N-O 2.93Å; R382-E412 IonicContact NE-OE2 2.73Å; R382-E412 IonicContact NH1-OE2 3.18Å; R382-E412 PolarHBondContact NH1-OE2 2.9Å; R382-E412 PolarHBondContact O-N 3.19Å
383M82.4Confident76.7Confident40 Ų4063.4 Ų63.420%0.19733%0.325CS..EExtended strand (participates in β ladder)trans-140.1155.7-173.252.1177.6169.300111.1V381 A408 Y409 A441 V444 S445V381-M383 HydrophobicContact CG1-SD 4.41Å; M383-A408 HydrophobicContact SD-CB 4.34Å; M383-Y409 CarbonylContact C-O 3.45Å; M383-Y409 WeakPolarHBondContact CA-O 3.37Å; M383-Y409 WeakPolarHBondContact CB-O 3.5Å; M383-A441 HydrophobicContact CB-CB 4.38Å; M383-A441 HydrophobicContact CE-CB 4.43Å; M383-A441 VanDerWaalsContact CE-O 3.32Å; M383-A441 WeakPolarHBondContact CE-O 3.31Å; M383-A441 HydrophobicContact CG-CB 3.81Å; M383-A441 HydrophobicContact SD-CB 3.87Å; M383-V444 HydrophobicContact CE-CB 3.9Å; M383-V444 HydrophobicContact CE-CG1 3.86Å; M383-V444 HydrophobicContact SD-CB 3.64Å; M383-V444 HydrophobicContact SD-CG1 3.66Å; M383-V444 HydrophobicContact SD-CG2 4.09Å; M383-S445 VanDerWaalsContact CE-OG 3.23Å; M383-S445 WeakPolarHBondContact CE-OG 3.33Å
384M72.6Confident78.1Confident75 Ų7561.5 Ų61.537%0.36931%0.314SS..EExtended strand (participates in β ladder)trans-131.2151.6168.257.3174.975.700109.8L386 L390 A408 Y409 I411M384-L386 PolarHBondContact O-N 3.5Å; M384-L390 HydrophobicContact CG-CD2 4.12Å; M384-L390 HydrophobicContact SD-CD1 4.47Å; M384-L390 HydrophobicContact SD-CD2 3.37Å; M384-L390 WeakPolarHBondContact SD-CD2 3.48Å; M384-A408 CarbonylContact O-C 3.6Å; M384-Y409 HydrophobicContact CG-CD1 3.85Å; M384-Y409 HydrophobicContact CG-CG 4.47Å; M384-Y409 PolarHBondContact N-O 3.3Å; M384-Y409 PolarHBondContact O-N 2.78Å; M384-Y409 HydrophobicContact SD-CD1 4.18Å; M384-I411 HydrophobicContact CB-CD1 4.01Å; M384-I411 HydrophobicContact CE-CD1 3.28Å; M384-I411 HydrophobicContact CE-CG1 3.69Å; M384-I411 HydrophobicContact CG-CD1 3.91Å; M384-I411 HydrophobicContact CG-CG1 3.99Å; M384-I411 HydrophobicContact SD-CD1 4.4Å
385S80.9Confident79.5Confident48 Ų4860.2 Ų60.234%0.33630%0.298SS..EExtended strand (participates in β ladder)trans-68.6129.8173.4-55.40000109.9T387 S440 A441S385-T387 PolarHBondContact O-N 3.16Å; S385-S440 WeakPolarHBondContact OG-CA 3.12Å; S385-S440 WeakPolarHBondContact OG-CB 2.94Å; S385-A441 PolarHBondContact OG-N 3.02Å
386L79.4Confident80.7Confident6 Ų661.6 Ų61.63%0.03131%0.306CS..  trans-76.8114.5177.1-171.465.9000109.4M384 L390 A391 L394 F401 I404 G407 V429M384-L386 PolarHBondContact O-N 3.5Å; L386-L390 HydrophobicContact CD1-CB 4.38Å; L386-L390 HydrophobicContact CD1-CD2 4.09Å; L386-L390 HydrophobicContact CD1-CG 4.06Å; L386-A391 HydrophobicContact CD1-CB 3.99Å; L386-A391 HydrophobicContact CD2-CB 4.26Å; L386-A391 HydrophobicContact CG-CB 4.1Å; L386-L394 HydrophobicContact CD1-CD1 3.98Å; L386-F401 HydrophobicContact CD1-CZ 4.03Å; L386-F401 HydrophobicContact CD2-CZ 4.15Å; L386-I404 HydrophobicContact CD2-CG2 3.74Å; L386-G407 WeakPolarHBondContact CB-O 3.43Å; L386-G407 PolarHBondContact N-O 2.88Å; L386-V429 HydrophobicContact CD2-CG1 3.97Å; L386-V429 HydrophobicContact CD2-CG2 4.28Å
387T82.3Confident81Confident52 Ų5265.1 Ų65.132%0.31932%0.317SS..  trans-95.9157.917165.70000110.2S385 S389 L390 A391S385-T387 PolarHBondContact O-N 3.16Å; T387-S389 PolarHBondContact O-N 3.27Å; T387-S389 PolarHBondContact OG1-OG 3.02Å; T387-L390 PolarHBondContact O-N 3.22Å; T387-L390 VanDerWaalsContact O-N 3.07Å; T387-L390 WeakPolarHBondContact OG1-CB 3.45Å; T387-L390 PolarHBondContact OG1-N 3.43Å; T387-A391 WeakPolarHBondContact O-CB 3.4Å; T387-A391 PolarHBondContact O-N 3.32Å
388P85Confident80.9Confident92 Ų9265.3 Ų65.360%0.59732%0.318SS*.Hα-helixtrans-56.3-35.7175.8-27.835.4000113.5K392P388-K392 PolarHBondContact O-N 3.25Å; P388-K392 VanDerWaalsContact O-N 3.15Å
389S77.6Confident80.9Confident89 Ų8967 Ų6762%0.62234%0.34SS*.Hα-helixtrans-66.4-43.2176580000112.3T387 K392 E393T387-S389 PolarHBondContact O-N 3.27Å; T387-S389 PolarHBondContact OG1-OG 3.02Å; S389-K392 PolarHBondContact O-N 2.83Å; S389-E393 PolarHBondContact O-N 2.97Å; S389-E393 VanDerWaalsContact O-N 3.11Å
390L76.6Confident80.7Confident29 Ų2971.6 Ų71.615%0.15237%0.365CS..Hα-helixtrans-69.6-40.8178.4177.663.3000111.4M384 L386 T387 K392 E393 L394M384-L390 HydrophobicContact CG-CD2 4.12Å; M384-L390 HydrophobicContact SD-CD1 4.47Å; M384-L390 HydrophobicContact SD-CD2 3.37Å; M384-L390 WeakPolarHBondContact SD-CD2 3.48Å; L386-L390 HydrophobicContact CD1-CB 4.38Å; L386-L390 HydrophobicContact CD1-CD2 4.09Å; L386-L390 HydrophobicContact CD1-CG 4.06Å; T387-L390 PolarHBondContact O-N 3.22Å; T387-L390 VanDerWaalsContact O-N 3.07Å; T387-L390 WeakPolarHBondContact OG1-CB 3.45Å; T387-L390 PolarHBondContact OG1-N 3.43Å; L390-K392 VanDerWaalsContact C-N 3.27Å; L390-K392 PolarHBondContact O-N 3.01Å; L390-E393 PolarHBondContact O-N 3.12Å; L390-L394 HydrophobicContact CD1-CD1 4.14Å; L390-L394 HydrophobicContact CD1-CG 4.05Å; L390-L394 HydrophobicContact CD2-CD1 4.48Å; L390-L394 HydrophobicContact CG-CD1 3.9Å; L390-L394 HydrophobicContact CG-CG 4.26Å; L390-L394 WeakPolarHBondContact O-CB 3.25Å; L390-L394 VanDerWaalsContact O-CG 3.3Å; L390-L394 WeakPolarHBondContact O-CG 3.46Å; L390-L394 PolarHBondContact O-N 3.05Å
391A80.3Confident80.9Confident8 Ų872 Ų727%0.06637%0.366CS..Hα-helixtrans-56.9-43.2174.700000111.7L386 T387 L394 K395 F401 I404L386-A391 HydrophobicContact CD1-CB 3.99Å; L386-A391 HydrophobicContact CD2-CB 4.26Å; L386-A391 HydrophobicContact CG-CB 4.1Å; T387-A391 WeakPolarHBondContact O-CB 3.4Å; T387-A391 PolarHBondContact O-N 3.32Å; A391-L394 PolarHBondContact O-N 2.84Å; A391-K395 VanDerWaalsContact O-CB 3.3Å; A391-K395 WeakPolarHBondContact O-CB 3.28Å; A391-K395 PolarHBondContact O-N 3.33Å; A391-F401 HydrophobicContact CB-CE1 4.37Å; A391-I404 WeakPolarHBondContact CB-O 3.48Å
392K83.8Confident81.4Confident136 Ų13671.2 Ų71.259%0.59136%0.362SS*.Hα-helixtrans-62.4-47.8175.6-171.1-177178.5-167.80111.8P388 S389 L390 L394 K395 E396P388-K392 PolarHBondContact O-N 3.25Å; P388-K392 VanDerWaalsContact O-N 3.15Å; S389-K392 PolarHBondContact O-N 2.83Å; L390-K392 VanDerWaalsContact C-N 3.27Å; L390-K392 PolarHBondContact O-N 3.01Å; K392-L394 PolarHBondContact O-N 3.31Å; K392-K395 PolarHBondContact O-N 2.98Å; K392-E396 WeakPolarHBondContact CE-OE1 3.42Å; K392-E396 WeakPolarHBondContact O-CG 3.44Å; K392-E396 PolarHBondContact O-N 3.09Å
393E80.3Confident82.4Confident97 Ų9771.7 Ų71.745%0.45338%0.375SS..Hα-helixtrans-60.5-44.7177.8-173.2-172.7163.500111.9S389 L390 K395 E396 R397S389-E393 PolarHBondContact O-N 2.97Å; S389-E393 VanDerWaalsContact O-N 3.11Å; L390-E393 PolarHBondContact O-N 3.12Å; E393-K395 VanDerWaalsContact C-N 3.32Å; E393-K395 PolarHBondContact O-N 3.42Å; E393-E396 PolarHBondContact O-N 3.29Å; E393-R397 WeakPolarHBondContact O-CB 3.12Å; E393-R397 PolarHBondContact O-N 3.45Å; E393-R397 IonicContact OE1-NH2 2.77Å
394L83.7Confident82.8Confident15 Ų1571 Ų718%0.07937%0.372CS..Hα-helixtrans-64.2-38.2178-70.3173.7000111.5L386 L390 A391 K392 R397 H398 F401 Y409L386-L394 HydrophobicContact CD1-CD1 3.98Å; L390-L394 HydrophobicContact CD1-CD1 4.14Å; L390-L394 HydrophobicContact CD1-CG 4.05Å; L390-L394 HydrophobicContact CD2-CD1 4.48Å; L390-L394 HydrophobicContact CG-CD1 3.9Å; L390-L394 HydrophobicContact CG-CG 4.26Å; L390-L394 WeakPolarHBondContact O-CB 3.25Å; L390-L394 VanDerWaalsContact O-CG 3.3Å; L390-L394 WeakPolarHBondContact O-CG 3.46Å; L390-L394 PolarHBondContact O-N 3.05Å; A391-L394 PolarHBondContact O-N 2.84Å; K392-L394 PolarHBondContact O-N 3.31Å; L394-R397 PolarHBondContact O-N 2.97Å; L394-H398 WeakPolarHBondContact O-CA 3.48Å; L394-H398 WeakPolarHBondContact O-CB 3.46Å; L394-H398 PolarHBondContact O-N 3.42Å; L394-F401 HydrophobicContact CB-CD1 3.96Å; L394-F401 HydrophobicContact CB-CD2 3.92Å; L394-F401 HydrophobicContact CB-CE1 4.01Å; L394-F401 HydrophobicContact CB-CE2 4Å; L394-F401 HydrophobicContact CB-CG 3.92Å; L394-F401 HydrophobicContact CB-CZ 4.04Å; L394-F401 HydrophobicContact CD1-CD2 4.37Å; L394-F401 HydrophobicContact CD1-CE1 4.37Å; L394-F401 HydrophobicContact CD1-CE2 3.67Å; L394-F401 HydrophobicContact CD1-CZ 3.66Å; L394-F401 HydrophobicContact CG-CE2 4.43Å; L394-Y409 HydrophobicContact CD1-CD1 4.45Å; L394-Y409 HydrophobicContact CD1-CD2 3.86Å; L394-Y409 HydrophobicContact CD1-CE1 4.39Å; L394-Y409 HydrophobicContact CD1-CE2 3.78Å; L394-Y409 HydrophobicContact CD1-CG 4.19Å
395K85.4Confident83.6Confident83 Ų8371.4 Ų71.436%0.36138%0.379SS..Hα-helixtrans-67.9-35.5176.1-170.162.1170.6172.10113.2A391 K392 E393 S399 F401A391-K395 VanDerWaalsContact O-CB 3.3Å; A391-K395 WeakPolarHBondContact O-CB 3.28Å; A391-K395 PolarHBondContact O-N 3.33Å; K392-K395 PolarHBondContact O-N 2.98Å; E393-K395 VanDerWaalsContact C-N 3.32Å; E393-K395 PolarHBondContact O-N 3.42Å; K395-S399 PolarHBondContact NZ-O 2.83Å; K395-F401 HydrophobicContact CB-CD1 4.36Å; K395-F401 HydrophobicContact CD-CB 4.21Å; K395-F401 WeakPolarHBondContact CD-O 3.35Å; K395-F401 WeakPolarHBondContact CE-O 3.38Å; K395-F401 PolarHBondContact NZ-O 3.48Å
396E87Confident83.9Confident141 Ų14171.8 Ų71.866%0.65938%0.381SS*.Hα-helixtrans-68.4-36.4174.3-73.6172.3-17600111.8K392 E393K392-E396 WeakPolarHBondContact CE-OE1 3.42Å; K392-E396 WeakPolarHBondContact O-CG 3.44Å; K392-E396 PolarHBondContact O-N 3.09Å; E393-E396 PolarHBondContact O-N 3.29Å
397R82.3Confident84.5Confident173 Ų17371.5 Ų71.565%0.65338%0.38SS*.Hα-helixtrans-82.8-34.3-179.6-170.8-177.7-68.1-123.64.8113.5E393 L394E393-R397 WeakPolarHBondContact O-CB 3.12Å; E393-R397 PolarHBondContact O-N 3.45Å; E393-R397 IonicContact OE1-NH2 2.77Å; L394-R397 PolarHBondContact O-N 2.97Å
398H82.3Confident84.9Confident45 Ų4569 Ų6921%0.20837%0.365CS..  trans-129.1102.1-174.4-61.2-67.1000108.9L394 D400 F401 R427L394-H398 WeakPolarHBondContact O-CA 3.48Å; L394-H398 WeakPolarHBondContact O-CB 3.46Å; L394-H398 PolarHBondContact O-N 3.42Å; H398-D400 PolarHBondContact O-N 3.39Å; H398-F401 HydrophobicContact CB-CB 4.18Å; H398-F401 WeakPolarHBondContact O-CB 3.45Å; H398-F401 PolarHBondContact O-N 3.09Å; H398-R427 PolarHBondContact ND1-NH1 2.03Å
399S83.1Confident85Confident107 Ų10765.5 Ų65.575%0.74834%0.34SS*.THydrogen-bonded Turntrans-60.7-28.2-176.3530000112.9K395 F401K395-S399 PolarHBondContact NZ-O 2.83Å; S399-F401 VanDerWaalsContact C-N 3.33Å
400D84.7Confident85.5Confident101 Ų10161.3 Ų61.354%0.5431%0.31SS..THydrogen-bonded Turntrans-80.8-4.8176.564.7-40.1000114.1H398 G461H398-D400 PolarHBondContact O-N 3.39Å; D400-G461 WeakPolarHBondContact O-CA 3.05Å
401F87.1Confident85.3Confident8 Ų862.6 Ų62.64%0.03532%0.317CS..SBendtrans-63.2136176.6-170.7-100.1000110.9L386 A391 L394 K395 H398 S399 I404 Y409 V429L386-F401 HydrophobicContact CD1-CZ 4.03Å; L386-F401 HydrophobicContact CD2-CZ 4.15Å; A391-F401 HydrophobicContact CB-CE1 4.37Å; L394-F401 HydrophobicContact CB-CD1 3.96Å; L394-F401 HydrophobicContact CB-CD2 3.92Å; L394-F401 HydrophobicContact CB-CE1 4.01Å; L394-F401 HydrophobicContact CB-CE2 4Å; L394-F401 HydrophobicContact CB-CG 3.92Å; L394-F401 HydrophobicContact CB-CZ 4.04Å; L394-F401 HydrophobicContact CD1-CD2 4.37Å; L394-F401 HydrophobicContact CD1-CE1 4.37Å; L394-F401 HydrophobicContact CD1-CE2 3.67Å; L394-F401 HydrophobicContact CD1-CZ 3.66Å; L394-F401 HydrophobicContact CG-CE2 4.43Å; K395-F401 HydrophobicContact CB-CD1 4.36Å; K395-F401 HydrophobicContact CD-CB 4.21Å; K395-F401 WeakPolarHBondContact CD-O 3.35Å; K395-F401 WeakPolarHBondContact CE-O 3.38Å; K395-F401 PolarHBondContact NZ-O 3.48Å; H398-F401 HydrophobicContact CB-CB 4.18Å; H398-F401 WeakPolarHBondContact O-CB 3.45Å; H398-F401 PolarHBondContact O-N 3.09Å; S399-F401 VanDerWaalsContact C-N 3.33Å; F401-I404 HydrophobicContact CE1-CG2 4.4Å; F401-Y409 AromaticContact CE2-CD2 3.88Å; F401-Y409 HydrophobicContact CE2-CD2 3.88Å; F401-Y409 AromaticContact CE2-CE2 3.77Å; F401-Y409 HydrophobicContact CE2-CE2 3.77Å; F401-Y409 HydrophobicContact CZ-CD2 4.41Å; F401-V429 HydrophobicContact CE2-CG2 3.95Å; F401-V429 HydrophobicContact CZ-CG2 3.86Å
402P86.8Confident84.8Confident6 Ų666.2 Ų66.24%0.03933%0.332CS..  trans-58.5151.4179.516.6-29.6000114.3I404 V429 R459 G461P402-I404 HydrophobicContact CB-CB 4.41Å; P402-I404 HydrophobicContact CB-CG2 3.87Å; P402-I404 HydrophobicContact CG-CG2 3.75Å; P402-I404 PolarHBondContact O-N 2.96Å; P402-V429 HydrophobicContact CG-CG2 4.28Å; P402-R459 HydrophobicContact CB-CB 4.47Å; P402-R459 HydrophobicContact CB-CG 3.25Å; P402-R459 HydrophobicContact CG-CB 4.35Å; P402-R459 HydrophobicContact CG-CG 3.53Å; P402-G461 WeakPolarHBondContact CB-O 3Å
403D87.6Confident84.3Confident154 Ų15461 Ų6182%0.82431%0.312SS*.SBendtrans-7877.4167.4-167.516.7000110.1
404I89.4Confident83.8Confident27 Ų2758.7 Ų58.714%0.13830%0.302CS..  trans-138.9139.6-179.6-167.3169.7000111L386 A391 F401 P402 S406 V429 I431L386-I404 HydrophobicContact CD2-CG2 3.74Å; A391-I404 WeakPolarHBondContact CB-O 3.48Å; F401-I404 HydrophobicContact CE1-CG2 4.4Å; P402-I404 HydrophobicContact CB-CB 4.41Å; P402-I404 HydrophobicContact CB-CG2 3.87Å; P402-I404 HydrophobicContact CG-CG2 3.75Å; P402-I404 PolarHBondContact O-N 2.96Å; I404-S406 VanDerWaalsContact CD1-O 3.29Å; I404-S406 WeakPolarHBondContact CD1-O 3.4Å; I404-S406 WeakPolarHBondContact CG1-O 3.46Å; I404-V429 HydrophobicContact CD1-CG1 4.22Å; I404-V429 HydrophobicContact CG2-CB 4.4Å; I404-V429 HydrophobicContact CG2-CG1 4.22Å; I404-V429 HydrophobicContact CG2-CG2 4.2Å; I404-I431 HydrophobicContact CD1-CB 4.37Å; I404-I431 HydrophobicContact CD1-CG2 3.16Å
405T89.2Confident83Confident82 Ų8261.5 Ų61.550%0.50332%0.323SS..SBendtrans-113.3-2.7-172.155.20000114.2
406S88.6Confident82.5Confident56 Ų5666 Ų6639%0.39234%0.338SS..SBendtrans-149.1158.3-179.663.40000111.7I404I404-S406 VanDerWaalsContact CD1-O 3.29Å; I404-S406 WeakPolarHBondContact CD1-O 3.4Å; I404-S406 WeakPolarHBondContact CG1-O 3.46Å
407G90.9Very high82.3Confident0 Ų059.8 Ų59.80%031%0.31CS..SBendtrans134-172.8-176.500000112.5L386 I430 V438 T439L386-G407 WeakPolarHBondContact CB-O 3.43Å; L386-G407 PolarHBondContact N-O 2.88Å; G407-I430 WeakPolarHBondContact CA-O 3.18Å; G407-V438 WeakPolarHBondContact CA-O 3.34Å; G407-T439 PolarHBondContact N-O 3.3Å
408A90.6Very high82.7Confident0 Ų052 Ų520%028%0.281CS..EExtended strand (participates in β ladder)trans-108.8112.3171.200000110M383 M384 V429 I430 V438 A441 V444M383-A408 HydrophobicContact SD-CB 4.34Å; M384-A408 CarbonylContact O-C 3.6Å; A408-V429 WeakPolarHBondContact O-CA 3.3Å; A408-I430 HydrophobicContact CB-CB 4.27Å; A408-I430 PolarHBondContact N-O 3.2Å; A408-I430 PolarHBondContact O-N 3.33Å; A408-V438 HydrophobicContact CB-CG1 4.06Å; A408-A441 HydrophobicContact CB-CB 4.45Å; A408-V444 HydrophobicContact CB-CG2 3.59Å
409Y87Confident83Confident19 Ų1949.9 Ų49.98%0.07527%0.272CS..EExtended strand (participates in β ladder)trans-78.2125.7177.6175.9-103.7000110.4M383 M384 L394 F401 I411 R427 V429M383-Y409 CarbonylContact C-O 3.45Å; M383-Y409 WeakPolarHBondContact CA-O 3.37Å; M383-Y409 WeakPolarHBondContact CB-O 3.5Å; M384-Y409 HydrophobicContact CG-CD1 3.85Å; M384-Y409 HydrophobicContact CG-CG 4.47Å; M384-Y409 PolarHBondContact N-O 3.3Å; M384-Y409 PolarHBondContact O-N 2.78Å; M384-Y409 HydrophobicContact SD-CD1 4.18Å; L394-Y409 HydrophobicContact CD1-CD1 4.45Å; L394-Y409 HydrophobicContact CD1-CD2 3.86Å; L394-Y409 HydrophobicContact CD1-CE1 4.39Å; L394-Y409 HydrophobicContact CD1-CE2 3.78Å; L394-Y409 HydrophobicContact CD1-CG 4.19Å; F401-Y409 AromaticContact CE2-CD2 3.88Å; F401-Y409 HydrophobicContact CE2-CD2 3.88Å; F401-Y409 AromaticContact CE2-CE2 3.77Å; F401-Y409 HydrophobicContact CE2-CE2 3.77Å; F401-Y409 HydrophobicContact CZ-CD2 4.41Å; Y409-I411 HydrophobicContact CD1-CG1 4.07Å; Y409-I411 HydrophobicContact CE1-CG1 4.28Å; Y409-I411 PolarHBondContact O-N 3.44Å; Y409-R427 HydrophobicContact CE2-CB 4.01Å; Y409-R427 HydrophobicContact CE2-CG 4.49Å; Y409-R427 WeakPolarHBondContact OH-CG 3.26Å; Y409-V429 HydrophobicContact CD2-CG2 4.13Å
410V88.3Confident83.2Confident0 Ų048.7 Ų48.70%025%0.254CS..EExtended strand (participates in β ladder)trans-83.4111.8178.8178.20000109.9V381 V413 L424 K425 R427 D428 I430V381-V410 HydrophobicContact CG2-CB 4.36Å; V381-V410 HydrophobicContact CG2-CG1 3.58Å; V381-V410 HydrophobicContact CG2-CG2 4.09Å; V410-V413 HydrophobicContact CG1-CG2 3.6Å; V410-L424 HydrophobicContact CG1-CD2 4.39Å; V410-L424 HydrophobicContact CG2-CD1 4.28Å; V410-L424 HydrophobicContact CG2-CD2 4.04Å; V410-L424 HydrophobicContact CG2-CG 4.28Å; V410-K425 WeakPolarHBondContact CG1-O 3.43Å; V410-R427 PolarHBondContact O-N 3.38Å; V410-D428 HydrophobicContact CB-CB 4.39Å; V410-D428 WeakPolarHBondContact CB-O 3.4Å; V410-D428 HydrophobicContact CG2-CB 4.19Å; V410-D428 WeakPolarHBondContact CG2-O 3.25Å; V410-D428 PolarHBondContact N-O 2.83Å; V410-I430 HydrophobicContact CG2-CD1 4.14Å; V410-I430 HydrophobicContact CG2-CG1 4.2Å
411I72.4Confident83.4Confident57 Ų5748.2 Ų48.229%0.29226%0.264SS..EExtended strand (participates in β ladder)trans-83-39.9179.7-52.8169.5000110.7R382 M384 Y409 E426R382-I411 HydrophobicContact CB-CB 4.36Å; R382-I411 WeakPolarHBondContact O-CB 3.43Å; R382-I411 PolarHBondContact O-N 3.16Å; M384-I411 HydrophobicContact CB-CD1 4.01Å; M384-I411 HydrophobicContact CE-CD1 3.28Å; M384-I411 HydrophobicContact CE-CG1 3.69Å; M384-I411 HydrophobicContact CG-CD1 3.91Å; M384-I411 HydrophobicContact CG-CG1 3.99Å; M384-I411 HydrophobicContact SD-CD1 4.4Å; Y409-I411 HydrophobicContact CD1-CG1 4.07Å; Y409-I411 HydrophobicContact CE1-CG1 4.28Å; Y409-I411 PolarHBondContact O-N 3.44Å; I411-E426 VanDerWaalsContact O-CG 3.31Å; I411-E426 WeakPolarHBondContact O-CG 3.05Å
412E70.6Confident83.7Confident83 Ų8349 Ų4939%0.38827%0.272SS..EExtended strand (participates in β ladder)trans-156137.9-173.8-172.2-179178.900109V381 R382V381-E412 WeakPolarHBondContact CA-O 3.35Å; V381-E412 WeakPolarHBondContact CG2-O 3.34Å; R382-E412 HydrophobicContact CB-CB 4.1Å; R382-E412 WeakPolarHBondContact CD-OE2 3.09Å; R382-E412 HydrophobicContact CG-CB 4.47Å; R382-E412 IonicContact CZ-OE2 3.55Å; R382-E412 PolarHBondContact N-O 2.93Å; R382-E412 IonicContact NE-OE2 2.73Å; R382-E412 IonicContact NH1-OE2 3.18Å; R382-E412 PolarHBondContact NH1-OE2 2.9Å; R382-E412 PolarHBondContact O-N 3.19Å
413V73.7Confident84.1Confident27 Ų2750 Ų5016%0.16428%0.284CS..EExtended strand (participates in β ladder)trans-109.9122.2169-176.30000107.5V410 A419 E420 L424V410-V413 HydrophobicContact CG1-CG2 3.6Å; V413-A419 HydrophobicContact CG1-CB 3.9Å; V413-E420 HydrophobicContact CG1-CB 3.9Å; V413-L424 HydrophobicContact CG2-CB 4.3Å; V413-L424 HydrophobicContact CG2-CD2 4.22Å; V413-L424 HydrophobicContact CG2-CG 4.12Å
414I69.5Low84.3Confident49 Ų4943 Ų4325%0.25125%0.246SC..  trans-79.4131.2-175.2-62.7167000108.5Y378 G380 T417Y378-I414 WeakPolarHBondContact OH-CD1 3Å; G380-I414 WeakPolarHBondContact O-CB 3.03Å; G380-I414 PolarHBondContact O-N 3.36Å; I414-T417 HydrophobicContact CB-CG2 3.83Å; I414-T417 HydrophobicContact CG2-CG2 3.72Å; I414-T417 WeakPolarHBondContact O-CB 3.46Å; I414-T417 VanDerWaalsContact O-CG2 3.24Å; I414-T417 WeakPolarHBondContact O-CG2 3.22Å; I414-T417 PolarHBondContact O-OG1 3.39Å
415S65.9Low84.5Confident74 Ų7447.4 Ų47.452%0.51726%0.264SS..THydrogen-bonded Turntrans-66.2148.1-178.8-63.50000113.8E420S415-E420 VanDerWaalsContact CA-OE1 3.29Å; S415-E420 WeakPolarHBondContact CA-OE1 3.35Å; S415-E420 WeakPolarHBondContact CA-OE2 3.44Å; S415-E420 WeakPolarHBondContact CB-OE1 3.45Å; S415-E420 PolarHBondContact OG-OE1 2.03Å
416R76.2Confident84.2Confident176 Ų17648.6 Ų48.666%0.66426%0.264SS*.THydrogen-bonded Turntrans58.245.5-174.8-63.7-178.3-80.2169.2-3.6112.6E420R416-E420 PolarHBondContact N-OE2 3.44Å
417T82.8Confident84.1Confident12 Ų1250.9 Ų50.97%0.07426%0.264CS..SBendtrans-126.8164.3175.767.60000110.9Y378 I379 I414 A419 E420 A421Y378-T417 HydrophobicContact CE1-CG2 3.97Å; I379-T417 WeakPolarHBondContact O-CB 2.97Å; I379-T417 PolarHBondContact O-OG1 3.48Å; I414-T417 HydrophobicContact CB-CG2 3.83Å; I414-T417 HydrophobicContact CG2-CG2 3.72Å; I414-T417 WeakPolarHBondContact O-CB 3.46Å; I414-T417 VanDerWaalsContact O-CG2 3.24Å; I414-T417 WeakPolarHBondContact O-CG2 3.22Å; I414-T417 PolarHBondContact O-OG1 3.39Å; T417-A419 PolarHBondContact O-N 2.96Å; T417-E420 PolarHBondContact O-N 2.72Å; T417-A421 PolarHBondContact O-N 3.46Å
418P90.8Very high84.2Confident9 Ų951 Ų516%0.05827%0.265CS..Hα-helixtrans-55.5-35.1177.9-31.538.4000114.8I379 A421 A422 I469 I470 E472I379-P418 HydrophobicContact CB-CB 4.44Å; P418-A421 PolarHBondContact O-N 2.85Å; P418-A422 WeakPolarHBondContact O-CB 3.31Å; P418-A422 PolarHBondContact O-N 3.43Å; P418-I469 HydrophobicContact CB-CG2 3.92Å; P418-I470 WeakPolarHBondContact CB-O 3.48Å; P418-I470 WeakPolarHBondContact CG-O 3.28Å; P418-E472 HydrophobicContact CG-CB 3.95Å; P418-E472 HydrophobicContact CG-CG 3.56Å
419A87.9Confident84.5Confident0 Ų051 Ų510%027%0.265CS..Hα-helixtrans-65.7-44.5178.500000111.7I379 V413 T417 A422 G423 L424I379-A419 HydrophobicContact CB-CB 4.45Å; I379-A419 WeakPolarHBondContact O-CB 3.36Å; I379-A419 PolarHBondContact O-N 3.49Å; V413-A419 HydrophobicContact CG1-CB 3.9Å; T417-A419 PolarHBondContact O-N 2.96Å; A419-A422 PolarHBondContact O-N 2.77Å; A419-G423 PolarHBondContact O-N 2.9Å; A419-L424 HydrophobicContact CB-CB 4.16Å; A419-L424 HydrophobicContact CB-CD2 3.87Å; A419-L424 VanDerWaalsContact O-CB 3.23Å; A419-L424 WeakPolarHBondContact O-CB 3.36Å; A419-L424 PolarHBondContact O-N 3.2Å
420E87.9Confident85Confident83 Ų8350.1 Ų50.139%0.38826%0.261SS..Hα-helixtrans-64.2-46.4175.8-171.2-174.2-119.300110.7V413 S415 R416 T417 A422 G423V413-E420 HydrophobicContact CG1-CB 3.9Å; S415-E420 VanDerWaalsContact CA-OE1 3.29Å; S415-E420 WeakPolarHBondContact CA-OE1 3.35Å; S415-E420 WeakPolarHBondContact CA-OE2 3.44Å; S415-E420 WeakPolarHBondContact CB-OE1 3.45Å; S415-E420 PolarHBondContact OG-OE1 2.03Å; R416-E420 PolarHBondContact N-OE2 3.44Å; T417-E420 PolarHBondContact O-N 2.72Å; E420-A422 VanDerWaalsContact C-N 3.25Å; E420-A422 PolarHBondContact O-N 2.77Å; E420-G423 PolarHBondContact O-N 3.07Å
421A88.4Confident85.4Confident90 Ų9051.8 Ų51.874%0.74427%0.27SS*.Hα-helixtrans-61.3-34.4179.600000112.7T417 P418 G423T417-A421 PolarHBondContact O-N 3.46Å; P418-A421 PolarHBondContact O-N 2.85Å; A421-G423 VanDerWaalsContact C-N 3.25Å; A421-G423 PolarHBondContact O-N 3.47Å
422A93.8Very high86.6Confident24 Ų2450 Ų5020%0.19826%0.262CS..THydrogen-bonded Turntrans-77.3-7.9175.300000113.7P418 A419 E420 L467 T468 I469P418-A422 WeakPolarHBondContact O-CB 3.31Å; P418-A422 PolarHBondContact O-N 3.43Å; A419-A422 PolarHBondContact O-N 2.77Å; E420-A422 VanDerWaalsContact C-N 3.25Å; E420-A422 PolarHBondContact O-N 2.77Å; A422-L467 WeakPolarHBondContact O-CD2 3.01Å; A422-T468 WeakPolarHBondContact CB-O 3.33Å; A422-I469 HydrophobicContact CB-CB 4.22Å; A422-I469 HydrophobicContact CB-CG1 3.66Å; A422-I469 HydrophobicContact CB-CG2 4.41Å
423G93.8Very high87.9Confident28 Ų2846.1 Ų46.129%0.28924%0.244SC..THydrogen-bonded Turntrans85.820.3178.200000114.9A419 E420 A421 R460A419-G423 PolarHBondContact O-N 2.9Å; E420-G423 PolarHBondContact O-N 3.07Å; A421-G423 VanDerWaalsContact C-N 3.25Å; A421-G423 PolarHBondContact O-N 3.47Å; G423-R460 PolarHBondContact O-NH2 3.48Å
424L93.6Very high89Confident7 Ų747.8 Ų47.84%0.03725%0.253CS..  trans-66.3140.3169.3-165.970.3000109V381 V410 V413 A419 D428 V458 L467V381-L424 HydrophobicContact CB-CD2 4.29Å; V381-L424 HydrophobicContact CG2-CD2 3.81Å; V410-L424 HydrophobicContact CG1-CD2 4.39Å; V410-L424 HydrophobicContact CG2-CD1 4.28Å; V410-L424 HydrophobicContact CG2-CD2 4.04Å; V410-L424 HydrophobicContact CG2-CG 4.28Å; V413-L424 HydrophobicContact CG2-CB 4.3Å; V413-L424 HydrophobicContact CG2-CD2 4.22Å; V413-L424 HydrophobicContact CG2-CG 4.12Å; A419-L424 HydrophobicContact CB-CB 4.16Å; A419-L424 HydrophobicContact CB-CD2 3.87Å; A419-L424 VanDerWaalsContact O-CB 3.23Å; A419-L424 WeakPolarHBondContact O-CB 3.36Å; A419-L424 PolarHBondContact O-N 3.2Å; L424-D428 HydrophobicContact CD1-CB 4.17Å; L424-V458 HydrophobicContact CD1-CG1 3.71Å; L424-L467 HydrophobicContact CB-CD1 4.04Å; L424-L467 HydrophobicContact CD1-CD1 3.73Å
425K91.9Very high90.1Very high119 Ų11948.5 Ų48.552%0.51727%0.272SS..  trans-125.9159.8-178.2-66.1-176-175.8-178.60111.4V410 D428V410-K425 WeakPolarHBondContact CG1-O 3.43Å; K425-D428 PolarHBondContact N-OD2 2.9Å; K425-D428 WeakPolarHBondContact O-CB 3.39Å; K425-D428 PolarHBondContact O-N 3.43Å
426E84.1Confident91.5Very high107 Ų10748.7 Ų48.750%0.527%0.267SS..THydrogen-bonded Turntrans-52.2142.1164.9-160.7-166.1125.200109.9I411 D428I411-E426 VanDerWaalsContact O-CG 3.31Å; I411-E426 WeakPolarHBondContact O-CG 3.05Å; E426-D428 PolarHBondContact O-N 3.3Å
427R85.6Confident92.5Very high104 Ų10445.1 Ų45.139%0.39227%0.267SS..THydrogen-bonded Turntrans71.10.1178.6-39.5-175.5-168.1168.35116.3H398 Y409 V410H398-R427 PolarHBondContact ND1-NH1 2.03Å; Y409-R427 HydrophobicContact CE2-CB 4.01Å; Y409-R427 HydrophobicContact CE2-CG 4.49Å; Y409-R427 WeakPolarHBondContact OH-CG 3.26Å; V410-R427 PolarHBondContact O-N 3.38Å
428D94.5Very high93.1Very high2 Ų245 Ų451%0.01127%0.266CS..  trans-59.6141.1164.9-73.9-13.7000109.4V410 L424 K425 E426 V458 R460V410-D428 HydrophobicContact CB-CB 4.39Å; V410-D428 WeakPolarHBondContact CB-O 3.4Å; V410-D428 HydrophobicContact CG2-CB 4.19Å; V410-D428 WeakPolarHBondContact CG2-O 3.25Å; V410-D428 PolarHBondContact N-O 2.83Å; L424-D428 HydrophobicContact CD1-CB 4.17Å; K425-D428 PolarHBondContact N-OD2 2.9Å; K425-D428 WeakPolarHBondContact O-CB 3.39Å; K425-D428 PolarHBondContact O-N 3.43Å; E426-D428 PolarHBondContact O-N 3.3Å; D428-V458 HydrophobicContact CB-CB 4.12Å; D428-V458 HydrophobicContact CB-CG1 4.5Å; D428-V458 HydrophobicContact CB-CG2 4.33Å; D428-R460 WeakPolarHBondContact OD1-CB 3.36Å; D428-R460 WeakPolarHBondContact OD1-CG 3.46Å; D428-R460 IonicContact OD1-CZ 2.78Å; D428-R460 IonicContact OD1-NE 2.76Å; D428-R460 PolarHBondContact OD1-NE 2.87Å; D428-R460 IonicContact OD1-NH2 3.91Å; D428-R460 PolarHBondContact OD1-NH2 2.98Å; D428-R460 IonicContact OD2-CZ 2.73Å; D428-R460 IonicContact OD2-NE 3.72Å; D428-R460 IonicContact OD2-NH2 3Å; D428-R460 PolarHBondContact OD2-NH2 2.86Å
429V95.8Very high93.1Very high0 Ų048.6 Ų48.60%029%0.288CS..EExtended strand (participates in β ladder)trans-108.2116.1169.3-177.70000108.2L386 F401 P402 I404 A408 Y409 I431 V458 R459L386-V429 HydrophobicContact CD2-CG1 3.97Å; L386-V429 HydrophobicContact CD2-CG2 4.28Å; F401-V429 HydrophobicContact CE2-CG2 3.95Å; F401-V429 HydrophobicContact CZ-CG2 3.86Å; P402-V429 HydrophobicContact CG-CG2 4.28Å; I404-V429 HydrophobicContact CD1-CG1 4.22Å; I404-V429 HydrophobicContact CG2-CB 4.4Å; I404-V429 HydrophobicContact CG2-CG1 4.22Å; I404-V429 HydrophobicContact CG2-CG2 4.2Å; A408-V429 WeakPolarHBondContact O-CA 3.3Å; Y409-V429 HydrophobicContact CD2-CG2 4.13Å; V429-I431 HydrophobicContact CG1-CG2 4.1Å; V429-I431 PolarHBondContact O-N 3.15Å; V429-V458 CarbonylContact O-C 3.56Å; V429-V458 VanDerWaalsContact O-CA 3.27Å; V429-V458 WeakPolarHBondContact O-CA 3.32Å; V429-R459 HydrophobicContact CB-CB 4.35Å; V429-R459 PolarHBondContact N-O 2.97Å; V429-R459 PolarHBondContact O-N 2.9Å
430I97.3Very high93Very high1 Ų149.6 Ų49.61%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-75.9122.1175.2-56.8166.5000108.5G407 A408 V410 I433 V438 V444 T456 V458G407-I430 WeakPolarHBondContact CA-O 3.18Å; A408-I430 HydrophobicContact CB-CB 4.27Å; A408-I430 PolarHBondContact N-O 3.2Å; A408-I430 PolarHBondContact O-N 3.33Å; V410-I430 HydrophobicContact CG2-CD1 4.14Å; V410-I430 HydrophobicContact CG2-CG1 4.2Å; I430-I433 HydrophobicContact CG2-CD1 4.13Å; I430-I433 HydrophobicContact CG2-CG1 3.97Å; I430-V438 HydrophobicContact CG2-CB 4.35Å; I430-V438 HydrophobicContact CG2-CG1 4.28Å; I430-V438 HydrophobicContact CG2-CG2 4.14Å; I430-V438 WeakPolarHBondContact O-CG1 3.32Å; I430-V444 HydrophobicContact CB-CG2 4.41Å; I430-V444 HydrophobicContact CD1-CG1 4.12Å; I430-V444 HydrophobicContact CD1-CG2 4.11Å; I430-V444 HydrophobicContact CG2-CG2 4.17Å; I430-T456 HydrophobicContact CB-CG2 4.41Å; I430-T456 HydrophobicContact CD1-CG2 4.47Å; I430-T456 HydrophobicContact CG1-CG2 4.11Å; I430-T456 HydrophobicContact CG2-CG2 3.56Å; I430-V458 HydrophobicContact CB-CG1 4.49Å; I430-V458 HydrophobicContact CG1-CG1 3.89Å
431I97.3Very high92.7Very high35 Ų3546.3 Ų46.318%0.17928%0.282CS..EExtended strand (participates in β ladder)trans-115.8-21.1-174.762.7172.6000113.1I404 V429 V438 V457 R459 D464I404-I431 HydrophobicContact CD1-CB 4.37Å; I404-I431 HydrophobicContact CD1-CG2 3.16Å; V429-I431 HydrophobicContact CG1-CG2 4.1Å; V429-I431 PolarHBondContact O-N 3.15Å; I431-V438 PolarHBondContact O-N 3.2Å; I431-V457 HydrophobicContact CD1-CG1 3.9Å; I431-V457 HydrophobicContact CG1-CB 4.04Å; I431-V457 HydrophobicContact CG1-CG1 3.89Å; I431-V457 WeakPolarHBondContact CG1-O 3.01Å; I431-V457 PolarHBondContact N-O 2.86Å; I431-R459 HydrophobicContact CG2-CB 4.26Å; I431-D464 WeakPolarHBondContact CD1-OD1 2.94Å
432S97.5Very high92.6Very high19 Ų1944.8 Ų44.813%0.13326%0.264CS..EExtended strand (participates in β ladder)trans-154.3147.7174.2177.90000111.6D436 T456 V457S432-D436 CarbonylContact C-O 3.56Å; S432-D436 WeakPolarHBondContact CA-O 2.96Å; S432-D436 WeakPolarHBondContact CB-O 3.24Å; S432-D436 PolarHBondContact OG-O 2.97Å; S432-T456 CarbonylContact O-C 3.5Å; S432-T456 WeakPolarHBondContact O-CA 3.41Å; S432-V457 PolarHBondContact N-O 3.29Å; S432-V457 PolarHBondContact O-N 2.78Å
433I97.8Very high92.3Very high2 Ų246 Ų461%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-131.9127.2169.3-64.6168.7000108.3I430 G435 D436 V438 V444 A447 L454 R455 T456I430-I433 HydrophobicContact CG2-CD1 4.13Å; I430-I433 HydrophobicContact CG2-CG1 3.97Å; I433-G435 PolarHBondContact O-N 3.34Å; I433-D436 PolarHBondContact N-O 2.98Å; I433-D436 WeakPolarHBondContact O-CB 3.3Å; I433-D436 PolarHBondContact O-N 3.33Å; I433-V438 HydrophobicContact CB-CG2 4.34Å; I433-V438 HydrophobicContact CD1-CG2 4Å; I433-V438 HydrophobicContact CG1-CG2 3.93Å; I433-V444 HydrophobicContact CD1-CB 4.08Å; I433-V444 HydrophobicContact CD1-CG1 3.89Å; I433-V444 HydrophobicContact CD1-CG2 3.94Å; I433-A447 HydrophobicContact CB-CB 4.27Å; I433-A447 HydrophobicContact CD1-CB 3.95Å; I433-A447 HydrophobicContact CG2-CB 3.8Å; I433-L454 HydrophobicContact CG2-CB 3.97Å; I433-L454 HydrophobicContact CG2-CD2 3.89Å; I433-L454 HydrophobicContact CG2-CG 4.46Å; I433-R455 CarbonylContact C-O 3.54Å; I433-R455 WeakPolarHBondContact CA-O 3.3Å; I433-T456 HydrophobicContact CG1-CG2 4.03Å
434N96.3Very high92.1Very high63 Ų6344.7 Ų44.734%0.33725%0.253SS..THydrogen-bonded Turntrans5624.4177.9-66.1-23.7000114.3D436 D451 K453 R455N434-D436 VanDerWaalsContact C-N 3.33Å; N434-D451 PolarHBondContact ND2-OD2 3.02Å; N434-K453 PolarHBondContact ND2-O 3.22Å; N434-K453 PolarHBondContact OD1-O 2.87Å; N434-R455 PolarHBondContact N-O 2.02Å; N434-R455 PolarHBondContact OD1-N 2.99Å
435G92.8Very high91.8Very high64 Ų6446.5 Ų46.566%0.6627%0.266SS*.THydrogen-bonded Turntrans90.9-12.7-176.400000114.1I433I433-G435 PolarHBondContact O-N 3.34Å
436D95.9Very high91.6Very high77 Ų7744.7 Ų44.741%0.41226%0.262SS..EExtended strand (participates in β ladder)trans-77.6133.3173.3-64-29.6000109.4S432 I433 N434 R450S432-D436 CarbonylContact C-O 3.56Å; S432-D436 WeakPolarHBondContact CA-O 2.96Å; S432-D436 WeakPolarHBondContact CB-O 3.24Å; S432-D436 PolarHBondContact OG-O 2.97Å; I433-D436 PolarHBondContact N-O 2.98Å; I433-D436 WeakPolarHBondContact O-CB 3.3Å; I433-D436 PolarHBondContact O-N 3.33Å; N434-D436 VanDerWaalsContact C-N 3.33Å; D436-R450 IonicContact OD2-CZ 2.72Å; D436-R450 IonicContact OD2-NH1 3.59Å; D436-R450 PolarHBondContact OD2-NH1 2.04Å; D436-R450 IonicContact OD2-NH2 3.21Å; D436-R450 PolarHBondContact OD2-NH2 3.4Å
437P96.4Very high91.9Very high102 Ų10239.9 Ų39.966%0.66224%0.241SC*.EExtended strand (participates in β ladder)trans-68.6138.1173.727.8-32.7000110.6
438V95.8Very high92.2Very high8 Ų835.6 Ų35.65%0.04823%0.226CC..PPolyproline II helixtrans-102.7122.9176.1169.60000108.5G407 A408 I430 I431 I433 D443 V444G407-V438 WeakPolarHBondContact CA-O 3.34Å; A408-V438 HydrophobicContact CB-CG1 4.06Å; I430-V438 HydrophobicContact CG2-CB 4.35Å; I430-V438 HydrophobicContact CG2-CG1 4.28Å; I430-V438 HydrophobicContact CG2-CG2 4.14Å; I430-V438 WeakPolarHBondContact O-CG1 3.32Å; I431-V438 PolarHBondContact O-N 3.2Å; I433-V438 HydrophobicContact CB-CG2 4.34Å; I433-V438 HydrophobicContact CD1-CG2 4Å; I433-V438 HydrophobicContact CG1-CG2 3.93Å; V438-D443 HydrophobicContact CG1-CB 4.3Å; V438-D443 HydrophobicContact CG2-CB 4.45Å; V438-V444 HydrophobicContact CG1-CG2 3.6Å; V438-V444 HydrophobicContact CG2-CG2 4.31Å
439T90.6Very high91.8Very high85 Ų8542.8 Ų42.852%0.52126%0.257SS..  trans-111.5-18.3177.664.80000112.4G407 D443G407-T439 PolarHBondContact N-O 3.3Å; T439-D443 PolarHBondContact N-OD2 2.77Å; T439-D443 PolarHBondContact OG1-OD2 2.84Å
440S86.8Confident91.6Very high22 Ų2249.4 Ų49.415%0.15428%0.282CS..SBendtrans-147.4162-175.275.90000113.1S385 T442 D443S385-S440 WeakPolarHBondContact OG-CA 3.12Å; S385-S440 WeakPolarHBondContact OG-CB 2.94Å; S440-T442 PolarHBondContact O-N 2.79Å; S440-T442 PolarHBondContact OG-N 2.97Å; S440-D443 PolarHBondContact N-OD2 2.96Å; S440-D443 WeakPolarHBondContact O-CB 3.04Å; S440-D443 PolarHBondContact O-N 2.77Å; S440-D443 VanDerWaalsContact OG-CG 3.22Å; S440-D443 PolarHBondContact OG-N 3.14Å; S440-D443 PolarHBondContact OG-OD1 2.98Å; S440-D443 PolarHBondContact OG-OD2 2.04Å
441A81Confident91.3Very high14 Ų1451 Ų5112%0.11629%0.29CS..Hα-helixtrans-62.5-23.3171.200000113.3M383 S385 A408 S445M383-A441 HydrophobicContact CB-CB 4.38Å; M383-A441 HydrophobicContact CE-CB 4.43Å; M383-A441 VanDerWaalsContact CE-O 3.32Å; M383-A441 WeakPolarHBondContact CE-O 3.31Å; M383-A441 HydrophobicContact CG-CB 3.81Å; M383-A441 HydrophobicContact SD-CB 3.87Å; S385-A441 PolarHBondContact OG-N 3.02Å; A408-A441 HydrophobicContact CB-CB 4.45Å; A441-S445 PolarHBondContact O-N 3.38Å; A441-S445 VanDerWaalsContact O-N 3.1Å; A441-S445 PolarHBondContact O-OG 2.99Å
442T85.5Confident91Very high58 Ų5854.7 Ų54.736%0.35631%0.31SS..Hα-helixtrans-67.7-38.7175.4-50.30000111S440 V444 S445 N446S440-T442 PolarHBondContact O-N 2.79Å; S440-T442 PolarHBondContact OG-N 2.97Å; T442-V444 VanDerWaalsContact C-N 3.31Å; T442-V444 PolarHBondContact O-N 2.02Å; T442-S445 WeakPolarHBondContact O-CB 3.47Å; T442-S445 PolarHBondContact O-N 3.07Å; T442-S445 VanDerWaalsContact O-N 3.17Å; T442-N446 VanDerWaalsContact O-CG 3.27Å; T442-N446 PolarHBondContact O-N 3.47Å; T442-N446 PolarHBondContact O-ND2 3.24Å
443D87.8Confident90.9Very high49 Ų4959.8 Ų59.826%0.26233%0.33SS..Hα-helixtrans-62.3-42.5179.4-54.4-26.2000110.5V438 T439 S440 N446 A447V438-D443 HydrophobicContact CG1-CB 4.3Å; V438-D443 HydrophobicContact CG2-CB 4.45Å; T439-D443 PolarHBondContact N-OD2 2.77Å; T439-D443 PolarHBondContact OG1-OD2 2.84Å; S440-D443 PolarHBondContact N-OD2 2.96Å; S440-D443 WeakPolarHBondContact O-CB 3.04Å; S440-D443 PolarHBondContact O-N 2.77Å; S440-D443 VanDerWaalsContact OG-CG 3.22Å; S440-D443 PolarHBondContact OG-N 3.14Å; S440-D443 PolarHBondContact OG-OD1 2.98Å; S440-D443 PolarHBondContact OG-OD2 2.04Å; D443-N446 PolarHBondContact O-N 2.8Å; D443-A447 PolarHBondContact O-N 3.2Å
444V90.2Very high90.9Very high1 Ų159.8 Ų59.81%0.00633%0.33CS..Hα-helixtrans-61.8-46.4174.4-178.10000111M383 A408 I430 I433 V438 T442 N446 A447 I448M383-V444 HydrophobicContact CE-CB 3.9Å; M383-V444 HydrophobicContact CE-CG1 3.86Å; M383-V444 HydrophobicContact SD-CB 3.64Å; M383-V444 HydrophobicContact SD-CG1 3.66Å; M383-V444 HydrophobicContact SD-CG2 4.09Å; A408-V444 HydrophobicContact CB-CG2 3.59Å; I430-V444 HydrophobicContact CB-CG2 4.41Å; I430-V444 HydrophobicContact CD1-CG1 4.12Å; I430-V444 HydrophobicContact CD1-CG2 4.11Å; I430-V444 HydrophobicContact CG2-CG2 4.17Å; I433-V444 HydrophobicContact CD1-CB 4.08Å; I433-V444 HydrophobicContact CD1-CG1 3.89Å; I433-V444 HydrophobicContact CD1-CG2 3.94Å; V438-V444 HydrophobicContact CG1-CG2 3.6Å; V438-V444 HydrophobicContact CG2-CG2 4.31Å; T442-V444 VanDerWaalsContact C-N 3.31Å; T442-V444 PolarHBondContact O-N 2.02Å; V444-N446 VanDerWaalsContact C-N 3.26Å; V444-N446 PolarHBondContact O-N 3.19Å; V444-A447 PolarHBondContact O-N 3.19Å; V444-I448 HydrophobicContact CG1-CD1 3.96Å; V444-I448 WeakPolarHBondContact O-CD1 3.4Å; V444-I448 VanDerWaalsContact O-CG1 3.28Å; V444-I448 WeakPolarHBondContact O-CG1 3.33Å; V444-I448 PolarHBondContact O-N 3.06Å
445S86.1Confident90.9Very high44 Ų4463.8 Ų63.831%0.30834%0.34SS..Hα-helixtrans-60.2-36.6177.9-58.80000112.4M383 A441 T442 K449M383-S445 VanDerWaalsContact CE-OG 3.23Å; M383-S445 WeakPolarHBondContact CE-OG 3.33Å; A441-S445 PolarHBondContact O-N 3.38Å; A441-S445 VanDerWaalsContact O-N 3.1Å; A441-S445 PolarHBondContact O-OG 2.99Å; T442-S445 WeakPolarHBondContact O-CB 3.47Å; T442-S445 PolarHBondContact O-N 3.07Å; T442-S445 VanDerWaalsContact O-N 3.17Å; S445-K449 WeakPolarHBondContact O-CG 3.41Å; S445-K449 PolarHBondContact O-N 2.82Å
446N88.6Confident91.2Very high81 Ų8160.8 Ų60.843%0.43331%0.31SS..Hα-helixtrans-71.5-41.9176.9-70.1-21.6000111.7T442 D443 V444 I448 K449 R450T442-N446 VanDerWaalsContact O-CG 3.27Å; T442-N446 PolarHBondContact O-N 3.47Å; T442-N446 PolarHBondContact O-ND2 3.24Å; D443-N446 PolarHBondContact O-N 2.8Å; V444-N446 VanDerWaalsContact C-N 3.26Å; V444-N446 PolarHBondContact O-N 3.19Å; N446-I448 VanDerWaalsContact C-N 3.34Å; N446-I448 PolarHBondContact O-N 2.74Å; N446-K449 PolarHBondContact O-N 3.12Å; N446-R450 WeakPolarHBondContact O-CB 3.39Å; N446-R450 PolarHBondContact O-N 2.84Å
447A91.2Very high91.3Very high6 Ų658.6 Ų58.65%0.0530%0.299CS..Hα-helixtrans-61.6-42.1175.900000111.8I433 D443 V444 K449 R450 D451 L454I433-A447 HydrophobicContact CB-CB 4.27Å; I433-A447 HydrophobicContact CD1-CB 3.95Å; I433-A447 HydrophobicContact CG2-CB 3.8Å; D443-A447 PolarHBondContact O-N 3.2Å; V444-A447 PolarHBondContact O-N 3.19Å; A447-K449 VanDerWaalsContact C-N 3.29Å; A447-K449 PolarHBondContact O-N 2.88Å; A447-R450 PolarHBondContact O-N 2.89Å; A447-D451 PolarHBondContact O-N 3.24Å; A447-L454 HydrophobicContact CB-CD2 4.19Å; A447-L454 WeakPolarHBondContact O-CD2 3.04Å
448I91.6Very high91.3Very high15 Ų1553.8 Ų53.88%0.07727%0.267CS..Hα-helixtrans-58.2-40.4175.3-67.1159.7000111.6K377 I379 V444 N446 L454 P471K377-I448 HydrophobicContact CB-CG2 3.85Å; K377-I448 VanDerWaalsContact CB-O 3.31Å; K377-I448 WeakPolarHBondContact CB-O 3.32Å; K377-I448 WeakPolarHBondContact CD-O 3.28Å; K377-I448 WeakPolarHBondContact O-CG2 3.22Å; I379-I448 HydrophobicContact CD1-CD1 3.62Å; I379-I448 HydrophobicContact CD1-CG1 4.08Å; I379-I448 HydrophobicContact CG1-CD1 3.72Å; I379-I448 HydrophobicContact CG1-CG1 4.31Å; I379-I448 HydrophobicContact CG2-CD1 4.44Å; I379-I448 HydrophobicContact CG2-CG1 4.14Å; I379-I448 HydrophobicContact CG2-CG2 4.41Å; V444-I448 HydrophobicContact CG1-CD1 3.96Å; V444-I448 WeakPolarHBondContact O-CD1 3.4Å; V444-I448 VanDerWaalsContact O-CG1 3.28Å; V444-I448 WeakPolarHBondContact O-CG1 3.33Å; V444-I448 PolarHBondContact O-N 3.06Å; N446-I448 VanDerWaalsContact C-N 3.34Å; N446-I448 PolarHBondContact O-N 2.74Å; I448-L454 HydrophobicContact CB-CD1 4.44Å; I448-L454 HydrophobicContact CG1-CD1 3.62Å; I448-P471 HydrophobicContact CG2-CB 4.28Å; I448-P471 HydrophobicContact CG2-CG 4.41Å
449K86.8Confident91.3Very high152 Ų15256.6 Ų56.666%0.66128%0.277SS*.Hα-helixtrans-70.9-39.2178.9-70.7172.9-176.2176.30112.1S445 N446 A447S445-K449 WeakPolarHBondContact O-CG 3.41Å; S445-K449 PolarHBondContact O-N 2.82Å; N446-K449 PolarHBondContact O-N 3.12Å; A447-K449 VanDerWaalsContact C-N 3.29Å; A447-K449 PolarHBondContact O-N 2.88Å
450R90.1Very high91.4Very high139 Ų13955.8 Ų55.853%0.52527%0.265SS..Hα-helixtrans-77.8-46.9-172.2-172.8-176.265-159.2-0.1112.4D436 N446 A447D436-R450 IonicContact OD2-CZ 2.72Å; D436-R450 IonicContact OD2-NH1 3.59Å; D436-R450 PolarHBondContact OD2-NH1 2.04Å; D436-R450 IonicContact OD2-NH2 3.21Å; D436-R450 PolarHBondContact OD2-NH2 3.4Å; N446-R450 WeakPolarHBondContact O-CB 3.39Å; N446-R450 PolarHBondContact O-N 2.84Å; A447-R450 PolarHBondContact O-N 2.89Å
451D91.3Very high91.5Very high35 Ų3555.9 Ų55.919%0.18727%0.269CS..  trans-107.4148.7-164.8-56.3-36.5000111.3K377 N434 A447 L454K377-D451 PolarHBondContact NZ-O 3.4Å; K377-D451 VanDerWaalsContact NZ-O 3.14Å; N434-D451 PolarHBondContact ND2-OD2 3.02Å; A447-D451 PolarHBondContact O-N 3.24Å; D451-L454 HydrophobicContact CB-CD2 3.79Å
452D92Very high91.7Very high112 Ų11261.8 Ų61.860%0.59930%0.298SS*.SBendtrans-88.2-11.8174.8-63.7-46.5000112.7K377 P471K377-D452 WeakPolarHBondContact CE-OD1 3.45Å; K377-D452 IonicContact NZ-OD1 3.88Å; K377-D452 PolarHBondContact NZ-OD1 3.2Å; D452-P471 VanDerWaalsContact O-CD 3.32Å; D452-P471 WeakPolarHBondContact O-CD 3.37Å
453K95.4Very high92.1Very high127 Ų12765.6 Ų65.655%0.55231%0.312SS*.SBendtrans-145.6127-178.1-172.5178.4-176.2178.60108.6N434 T468N434-K453 PolarHBondContact ND2-O 3.22Å; N434-K453 PolarHBondContact OD1-O 2.87Å; K453-T468 HydrophobicContact CD-CG2 4.18Å; K453-T468 HydrophobicContact CG-CG2 3.89Å
454L96.8Very high92.5Very high1 Ų167.1 Ų67.11%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-112.9101.3-177.5-50177.4000108.8I379 I433 A447 I448 D451 T456 T468 I469 P471I379-L454 HydrophobicContact CG2-CD1 4.18Å; I433-L454 HydrophobicContact CG2-CB 3.97Å; I433-L454 HydrophobicContact CG2-CD2 3.89Å; I433-L454 HydrophobicContact CG2-CG 4.46Å; A447-L454 HydrophobicContact CB-CD2 4.19Å; A447-L454 WeakPolarHBondContact O-CD2 3.04Å; I448-L454 HydrophobicContact CB-CD1 4.44Å; I448-L454 HydrophobicContact CG1-CD1 3.62Å; D451-L454 HydrophobicContact CB-CD2 3.79Å; L454-T456 PolarHBondContact O-N 3.02Å; L454-T456 VanDerWaalsContact O-N 3.12Å; L454-T456 PolarHBondContact O-OG1 3.35Å; L454-T468 WeakPolarHBondContact O-CA 3.41Å; L454-I469 HydrophobicContact CB-CB 4.28Å; L454-I469 PolarHBondContact N-O 3.43Å; L454-I469 PolarHBondContact O-N 2.92Å; L454-P471 HydrophobicContact CD1-CG 3.84Å; L454-P471 HydrophobicContact CG-CG 3.98Å
455R97.6Very high92.8Very high147 Ų14768.7 Ų68.756%0.55533%0.33SS*.EExtended strand (participates in β ladder)trans-77.592.9166.2-174.7178.9173.5-179.7-2107.8I433 N434 I466 L467I433-R455 CarbonylContact C-O 3.54Å; I433-R455 WeakPolarHBondContact CA-O 3.3Å; N434-R455 PolarHBondContact N-O 2.02Å; N434-R455 PolarHBondContact OD1-N 2.99Å; R455-I466 HydrophobicContact CG-CG2 3.77Å; R455-L467 CarbonylContact C-O 3.12Å
456T97.8Very high93.3Very high2 Ų270.9 Ų70.91%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-98.2123.7-170.2-51.80000109.5I430 S432 I433 L454 V458 I466 L467I430-T456 HydrophobicContact CB-CG2 4.41Å; I430-T456 HydrophobicContact CD1-CG2 4.47Å; I430-T456 HydrophobicContact CG1-CG2 4.11Å; I430-T456 HydrophobicContact CG2-CG2 3.56Å; S432-T456 CarbonylContact O-C 3.5Å; S432-T456 WeakPolarHBondContact O-CA 3.41Å; I433-T456 HydrophobicContact CG1-CG2 4.03Å; L454-T456 PolarHBondContact O-N 3.02Å; L454-T456 VanDerWaalsContact O-N 3.12Å; L454-T456 PolarHBondContact O-OG1 3.35Å; T456-V458 HydrophobicContact CG2-CG1 3.83Å; T456-I466 CarbonylContact O-C 3.47Å; T456-I466 WeakPolarHBondContact O-CA 2.97Å; T456-L467 PolarHBondContact N-O 3.35Å; T456-L467 PolarHBondContact O-N 3.12Å
457V97.9Very high93.7Very high31 Ų3167.8 Ų67.819%0.18832%0.321CS..EExtended strand (participates in β ladder)trans-95.5123.4170.3-1710000107.7I431 S432 D464 I466I431-V457 HydrophobicContact CD1-CG1 3.9Å; I431-V457 HydrophobicContact CG1-CB 4.04Å; I431-V457 HydrophobicContact CG1-CG1 3.89Å; I431-V457 WeakPolarHBondContact CG1-O 3.01Å; I431-V457 PolarHBondContact N-O 2.86Å; S432-V457 PolarHBondContact N-O 3.29Å; S432-V457 PolarHBondContact O-N 2.78Å; V457-D464 HydrophobicContact CG1-CB 4.22Å; V457-I466 HydrophobicContact CG2-CG1 4.36Å
458V97.2Very high94Very high0 Ų070.8 Ų70.80%034%0.338CS..EExtended strand (participates in β ladder)trans-119.3139.6177.2-54.60000110.8L424 D428 V429 I430 T456 D464 V465 L467L424-V458 HydrophobicContact CD1-CG1 3.71Å; D428-V458 HydrophobicContact CB-CB 4.12Å; D428-V458 HydrophobicContact CB-CG1 4.5Å; D428-V458 HydrophobicContact CB-CG2 4.33Å; V429-V458 CarbonylContact O-C 3.56Å; V429-V458 VanDerWaalsContact O-CA 3.27Å; V429-V458 WeakPolarHBondContact O-CA 3.32Å; I430-V458 HydrophobicContact CB-CG1 4.49Å; I430-V458 HydrophobicContact CG1-CG1 3.89Å; T456-V458 HydrophobicContact CG2-CG1 3.83Å; V458-D464 WeakPolarHBondContact O-CA 3.34Å; V458-V465 HydrophobicContact CG2-CB 3.94Å; V458-V465 PolarHBondContact N-O 2.63Å; V458-V465 PolarHBondContact O-N 2.81Å; V458-L467 HydrophobicContact CG1-CD1 4.27Å; V458-L467 HydrophobicContact CG2-CD1 3.98Å; V458-L467 HydrophobicContact CG2-CG 4.3Å
459R95.8Very high94.2Very high68 Ų6870.1 Ų70.126%0.25734%0.335SS..EExtended strand (participates in β ladder)trans-88.1117169.5-176.172.964.8-174.8-15.7108.3P402 V429 I431 G461 E463 D464P402-R459 HydrophobicContact CB-CB 4.47Å; P402-R459 HydrophobicContact CB-CG 3.25Å; P402-R459 HydrophobicContact CG-CB 4.35Å; P402-R459 HydrophobicContact CG-CG 3.53Å; V429-R459 HydrophobicContact CB-CB 4.35Å; V429-R459 PolarHBondContact N-O 2.97Å; V429-R459 PolarHBondContact O-N 2.9Å; I431-R459 HydrophobicContact CG2-CB 4.26Å; R459-G461 WeakPolarHBondContact CD-O 3.43Å; R459-E463 WeakPolarHBondContact CA-O 3.35Å; R459-D464 WeakPolarHBondContact CD-OD1 3.26Å; R459-D464 IonicContact CZ-OD1 3.3Å; R459-D464 IonicContact CZ-OD2 3.62Å; R459-D464 IonicContact NE-OD1 2.77Å; R459-D464 PolarHBondContact NE-OD1 2.03Å; R459-D464 IonicContact NH1-OD1 3.95Å; R459-D464 PolarHBondContact NH1-OD1 3.42Å; R459-D464 IonicContact NH1-OD2 3.71Å; R459-D464 PolarHBondContact NH1-OD2 3.18Å; R459-D464 IonicContact NH2-OD1 2.93Å; R459-D464 PolarHBondContact NH2-OD1 2.95Å; R459-D464 IonicContact NH2-OD2 2.76Å; R459-D464 PolarHBondContact NH2-OD2 2.93Å
460R93.2Very high94.7Very high68 Ų6868.1 Ų68.126%0.25733%0.33SS..EExtended strand (participates in β ladder)trans-122.5103.9178.3-177.3-179.9-66.6161.20.2108.6G423 D428 N462 E463 V465G423-R460 PolarHBondContact O-NH2 3.48Å; D428-R460 WeakPolarHBondContact OD1-CB 3.36Å; D428-R460 WeakPolarHBondContact OD1-CG 3.46Å; D428-R460 IonicContact OD1-CZ 2.78Å; D428-R460 IonicContact OD1-NE 2.76Å; D428-R460 PolarHBondContact OD1-NE 2.87Å; D428-R460 IonicContact OD1-NH2 3.91Å; D428-R460 PolarHBondContact OD1-NH2 2.98Å; D428-R460 IonicContact OD2-CZ 2.73Å; D428-R460 IonicContact OD2-NE 3.72Å; D428-R460 IonicContact OD2-NH2 3Å; D428-R460 PolarHBondContact OD2-NH2 2.86Å; R460-N462 PolarHBondContact O-N 2.94Å; R460-E463 PolarHBondContact N-O 3.44Å; R460-E463 PolarHBondContact O-N 3.25Å; R460-E463 VanDerWaalsContact O-N 3.14Å; R460-V465 HydrophobicContact CB-CG2 4.29Å
461G88.1Confident94.7Very high24 Ų2462.1 Ų62.125%0.24731%0.309CS..THydrogen-bonded Turntrans56.6-126.5-165.900000110.4D400 P402 R459D400-G461 WeakPolarHBondContact O-CA 3.05Å; P402-G461 WeakPolarHBondContact CB-O 3Å; R459-G461 WeakPolarHBondContact CD-O 3.43Å
462N85.6Confident94.4Very high137 Ų13765.3 Ų65.373%0.73332%0.323SS*.THydrogen-bonded Turntrans-90.81.6179.6-68.8-20.2000114.4R460R460-N462 PolarHBondContact O-N 2.94Å
463E93.1Very high93.9Very high138 Ų13865.3 Ų65.365%0.64532%0.32SS*.EExtended strand (participates in β ladder)trans-106146.3-175.5-63.9-177.9175.600112R459 R460R459-E463 WeakPolarHBondContact CA-O 3.35Å; R460-E463 PolarHBondContact N-O 3.44Å; R460-E463 PolarHBondContact O-N 3.25Å; R460-E463 VanDerWaalsContact O-N 3.14Å
464D95.8Very high92.4Very high81 Ų8161.3 Ų61.343%0.43330%0.304SS..EExtended strand (participates in β ladder)trans-96.1120.9167.6-75.1-33.5000109.5I431 V457 V458 R459I431-D464 WeakPolarHBondContact CD1-OD1 2.94Å; V457-D464 HydrophobicContact CG1-CB 4.22Å; V458-D464 WeakPolarHBondContact O-CA 3.34Å; R459-D464 WeakPolarHBondContact CD-OD1 3.26Å; R459-D464 IonicContact CZ-OD1 3.3Å; R459-D464 IonicContact CZ-OD2 3.62Å; R459-D464 IonicContact NE-OD1 2.77Å; R459-D464 PolarHBondContact NE-OD1 2.03Å; R459-D464 IonicContact NH1-OD1 3.95Å; R459-D464 PolarHBondContact NH1-OD1 3.42Å; R459-D464 IonicContact NH1-OD2 3.71Å; R459-D464 PolarHBondContact NH1-OD2 3.18Å; R459-D464 IonicContact NH2-OD1 2.93Å; R459-D464 PolarHBondContact NH2-OD1 2.95Å; R459-D464 IonicContact NH2-OD2 2.76Å; R459-D464 PolarHBondContact NH2-OD2 2.93Å
465V96.9Very high90.4Very high34 Ų3466.3 Ų66.321%0.20633%0.331CS..EExtended strand (participates in β ladder)trans-112.4131.2179.6-173.30000108.8V458 R460 L467V458-V465 HydrophobicContact CG2-CB 3.94Å; V458-V465 PolarHBondContact N-O 2.63Å; V458-V465 PolarHBondContact O-N 2.81Å; R460-V465 HydrophobicContact CB-CG2 4.29Å; V465-L467 HydrophobicContact CG1-CD2 3.63Å; V465-L467 HydrophobicContact CG1-CG 4.33Å
466I97.4Very high88.2Confident91 Ų9163.8 Ų63.847%0.46733%0.333SS..EExtended strand (participates in β ladder)trans-98.1119176.4-54.3-179.6000108.6R455 T456 V457R455-I466 HydrophobicContact CG-CG2 3.77Å; T456-I466 CarbonylContact O-C 3.47Å; T456-I466 WeakPolarHBondContact O-CA 2.97Å; V457-I466 HydrophobicContact CG2-CG1 4.36Å
467L97.3Very high87.7Confident15 Ų1566.9 Ų66.98%0.07935%0.349CS..EExtended strand (participates in β ladder)trans-111.8144.3177.5-51.9179.9000109.6A422 L424 R455 T456 V458 V465 I469A422-L467 WeakPolarHBondContact O-CD2 3.01Å; L424-L467 HydrophobicContact CB-CD1 4.04Å; L424-L467 HydrophobicContact CD1-CD1 3.73Å; R455-L467 CarbonylContact C-O 3.12Å; T456-L467 PolarHBondContact N-O 3.35Å; T456-L467 PolarHBondContact O-N 3.12Å; V458-L467 HydrophobicContact CG1-CD1 4.27Å; V458-L467 HydrophobicContact CG2-CD1 3.98Å; V458-L467 HydrophobicContact CG2-CG 4.3Å; V465-L467 HydrophobicContact CG1-CD2 3.63Å; V465-L467 HydrophobicContact CG1-CG 4.33Å; L467-I469 HydrophobicContact CB-CG1 4.47Å
468T97.3Very high87.2Confident69 Ų6968.7 Ų68.742%0.42336%0.358SS..EExtended strand (participates in β ladder)trans-110.5108.9172-640000108.2A422 K453 L454A422-T468 WeakPolarHBondContact CB-O 3.33Å; K453-T468 HydrophobicContact CD-CG2 4.18Å; K453-T468 HydrophobicContact CG-CG2 3.89Å; L454-T468 WeakPolarHBondContact O-CA 3.41Å
469I96.1Very high86.6Confident1 Ų172.6 Ų72.61%0.00538%0.378CS..EExtended strand (participates in β ladder)trans-106.1128.1-179.1-44.7-179000108I379 P418 A422 L454 L467I379-I469 HydrophobicContact CB-CG2 3.96Å; I379-I469 HydrophobicContact CD1-CD1 4.41Å; I379-I469 HydrophobicContact CG2-CG2 3.7Å; P418-I469 HydrophobicContact CB-CG2 3.92Å; A422-I469 HydrophobicContact CB-CB 4.22Å; A422-I469 HydrophobicContact CB-CG1 3.66Å; A422-I469 HydrophobicContact CB-CG2 4.41Å; L454-I469 HydrophobicContact CB-CB 4.28Å; L454-I469 PolarHBondContact N-O 3.43Å; L454-I469 PolarHBondContact O-N 2.92Å; L467-I469 HydrophobicContact CB-CG1 4.47Å
470I95.3Very high86.1Confident110 Ų11072.8 Ų72.856%0.56439%0.385SS*.  trans-105.9106.2175.8-59.8177.1000106.9P418 E472P418-I470 WeakPolarHBondContact CB-O 3.48Å; P418-I470 WeakPolarHBondContact CG-O 3.28Å; I470-E472 PolarHBondContact O-N 2.99Å
471P90.9Very high85.7Confident13 Ų1373.1 Ų73.18%0.08439%0.393CS..  trans-58.1136.3177.9-22.634.6000111.6K377 I379 I448 D452 L454K377-P471 HydrophobicContact CB-CB 3.86Å; K377-P471 HydrophobicContact CD-CB 4.42Å; K377-P471 HydrophobicContact CG-CB 4.31Å; I379-P471 HydrophobicContact CG2-CB 3.88Å; I379-P471 HydrophobicContact CG2-CG 3.85Å; I448-P471 HydrophobicContact CG2-CB 4.28Å; I448-P471 HydrophobicContact CG2-CG 4.41Å; D452-P471 VanDerWaalsContact O-CD 3.32Å; D452-P471 WeakPolarHBondContact O-CD 3.37Å; L454-P471 HydrophobicContact CD1-CG 3.84Å; L454-P471 HydrophobicContact CG-CG 3.98Å
472E85Confident85.5Confident103 Ų10376.4 Ų76.448%0.48140%0.402SS..EExtended strand (participates in β ladder)trans-85.1134171.3-83.8171.8-166.600109.1K377 Y378 P418 I470 I474K377-E472 CarbonylContact C-O 3.43Å; K377-E472 WeakPolarHBondContact CA-O 3.48Å; Y378-E472 PolarHBondContact N-O 3.2Å; Y378-E472 PolarHBondContact O-N 3.15Å; P418-E472 HydrophobicContact CG-CB 3.95Å; P418-E472 HydrophobicContact CG-CG 3.56Å; I470-E472 PolarHBondContact O-N 2.99Å; E472-I474 PolarHBondContact O-N 3.3Å
473E81.4Confident85.5Confident112 Ų11272.1 Ų72.152%0.52338%0.379SS..EExtended strand (participates in β ladder)trans-74.3113.6165.7-73.3-172169.800108.7K375 K377K375-E473 HydrophobicContact CB-CB 3.99Å; K375-E473 HydrophobicContact CB-CG 4.27Å; K375-E473 HydrophobicContact CD-CB 4Å; K375-E473 HydrophobicContact CD-CG 4.48Å; K375-E473 WeakPolarHBondContact CD-OE2 3.41Å; K375-E473 IonicContact NZ-OE2 3.46Å; K375-E473 PolarHBondContact NZ-OE2 3.21Å; K377-E473 HydrophobicContact CG-CG 4.39Å
474I64.9Low84.9Confident43 Ų4367 Ų6722%0.22136%0.358CS..EExtended strand (participates in β ladder)trans-93.2128.5170.550166.9000109K375 K376 Y378 E472K375-I474 WeakPolarHBondContact CA-O 3.37Å; K376-I474 HydrophobicContact CB-CD1 4.46Å; K376-I474 HydrophobicContact CB-CG1 4.12Å; K376-I474 PolarHBondContact N-O 3.28Å; K376-I474 WeakPolarHBondContact O-CG1 3.46Å; K376-I474 PolarHBondContact O-N 3.36Å; Y378-I474 HydrophobicContact CG-CD1 4.3Å; E472-I474 PolarHBondContact O-N 3.3Å
475D54.8Low84Confident106 Ų10665.8 Ų65.857%0.56735%0.352SS*.  trans-55.5138158.9-73.3-27.9000107.8K221 K375K221-D475 PolarHBondContact NZ-O 3.43Å; K375-D475 WeakPolarHBondContact CE-OD1 3.04Å
476P50.7Low82.8Confident93 Ų9368.7 Ų68.760%0.60437%0.365SS*.  trans-48.50-175.9-17.720.9000113.9L373L373-P476 HydrophobicContact CB-CB 3.86Å; L373-P476 HydrophobicContact CB-CG 3.32Å; L373-P476 HydrophobicContact CD1-CB 3.59Å; L373-P476 HydrophobicContact CD1-CG 3.99Å; L373-P476 HydrophobicContact CG-CB 4.38Å; L373-P476 HydrophobicContact CG-CG 4.29Å

Retrieved 476 of 476 residues in 122.5 ms (Link to these results)