A0A2K5N0D6_CERAT Loading...

EGF-containing fibulin-like extracellular matrix protein 2

Plays a crucial role in elastic fiber formation in tissue, and in the formation of ultrastructural connections between elastic laminae and smooth muscle cells in the aorta, therefore participates in terminal differentiation and maturation of smooth muscle cell (SMC) and in the mechanical properties and wall integrity maintenance of the aorta. In addition, is involved in the control of collagen fibril assembly in tissue throught proteolytic activation of LOX leading to cross- linking of collagen and elastin. Also promotes ELN coacervation and participates in the deposition of ELN coacervates on to microfibrils but also regulates ELN cross- linking through LOX interaction. Moreover adheres to the cells through heparin binding in a calcium-dependent manner and regulates vascularlar smooth muscle cells proliferation through angiotensin signaling.

AlphaFold DB , UniProt , Accession A0A2K5N0D6, Species CERAT (Cercocebus atys, Sooty mangabey), Gene EFEMP2, Length 443 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
1M32.3Very low36.7Very low248 Ų248130.7 Ų130.7100%1.22283%0.832SS**  01160-71.7177.5170.600107.6
2L32.8Very low37.1Very low163 Ų163134.5 Ų134.585%0.85384%0.84SS**  trans-65.7176.7158.4-90.8128000110
3P57.4Low37.6Very low111 Ų111136.2 Ų136.272%0.72184%0.838SS**  cis-142.3170.98.223.72.3000117.2
4C27.9Very low37.9Very low115 Ų115137.4 Ų137.478%0.77784%0.835SS**  166.7110.3125.6-97.40000108.8
5A35.1Very low38Very low90 Ų90144.8 Ų144.874%0.74484%0.843SS**  52.8118.891.300000112.4
6S34.9Very low38.2Very low109 Ų109140.9 Ų140.976%0.76283%0.832SS**  cis-175.3165.449.7-36.30000111.1
7C30.8Very low38.4Very low128 Ų128142.1 Ų142.187%0.86583%0.833SS**  trans86.998.7153.1-63.80000121.6
8L34.8Very low38.2Very low161 Ų161143.5 Ų143.584%0.84384%0.836SS**  trans-77.1170.5134.8-86.8161.7000109
9P45.3Very low38.1Very low129 Ų129144.6 Ų144.684%0.83884%0.837SS**  cis-147.9176.630.639.4-17.5000117.5
10G33.1Very low38.1Very low74 Ų74145.6 Ų145.676%0.76384%0.838SS**  trans141.766.5149.400000117
11S39.2Very low38.2Very low110 Ų110146.4 Ų146.477%0.76984%0.839SS**  trans-172.570.7148.5-158.90000111.7
12L41.3Very low38.1Very low176 Ų176143 Ų14392%0.92182%0.824SS**  trans-141.542.6172.7-90.1171.1000111.3
13L44.5Very low38.1Very low157 Ų157139.1 Ų139.182%0.82282%0.824SS**SBendtrans-13913.8176.6-107.4146.5000114.4
14L41.4Very low36.9Very low152 Ų152139.8 Ų139.880%0.79683%0.832SS**SBendtrans-113.11.8174.8-97.8115.2000115.1
15W38.9Very low36.9Very low249 Ų249139.2 Ų139.294%0.94384%0.835SS**SBendtrans-106.318.3176.2-83.176.7000113.6
16A40.9Very low36.8Very low82 Ų82140.4 Ų140.468%0.67884%0.838SS**SBendtrans-1196.8178.300000114
17L42.1Very low37.2Very low161 Ų161140.7 Ų140.784%0.84384%0.837SS**SBendtrans-124.29.5-178.7-118.8110.7000115.4
18L35.6Very low37.2Very low168 Ų168143.5 Ų143.588%0.8884%0.838SS**SBendtrans-119.841.5178.8-141.693000112.2
19L34.9Very low37.1Very low164 Ų164143.5 Ų143.586%0.85984%0.838SS**SBendtrans-130.824.2179-105162.9000113
20L38.6Very low36.5Very low164 Ų164142.7 Ų142.786%0.85984%0.836SS**SBendtrans-124.93.6-178.6-102.5162000115.8
21L40.3Very low37Very low164 Ų164148.5 Ų148.586%0.85984%0.843SS**SBendtrans-143.6127.9176.4-75.3167.2000111
22L31.2Very low37Very low175 Ų175151.4 Ų151.492%0.91685%0.845SS**  trans92.699.1168.9-57.1162.9000115.5
23G31.7Very low36.7Very low83 Ų83149 Ų14986%0.85684%0.84SS**  trans-66.7154.4165.100000112.4
24S31.3Very low36.2Very low125 Ų125147.9 Ų147.987%0.87484%0.835SS**  trans-142.3149.4161.452.10000108.7
25A28.2Very low36.3Very low103 Ų103145.3 Ų145.385%0.85183%0.829SS**  trans-72162.9-162.600000115.3
26S33.5Very low36.7Very low115 Ų115142.5 Ų142.580%0.80482%0.82SS**  trans-40163172.8-122.90000116.4
27P43.8Very low37.6Very low115 Ų115141.9 Ų141.975%0.74781%0.808SS**  -153150.569.337.9-17.3000117.5
28Q30.1Very low38.5Very low187 Ų187142.4 Ų142.487%0.87481%0.806SS**  174.4143.7117.7-97.8-176-3000112.6
29D32.8Very low40Very low160 Ų160135.8 Ų135.886%0.85677%0.773SS**  trans-54.5143-173.6-73.2-59.6000116.6
30S32.3Very low41.6Very low113 Ų113132.9 Ų132.979%0.7976%0.763SS**  trans-142.6113.9140.455.80000108.4E32S30-E32 PolarHBondContact O-N 3Å
31E43.4Very low43.1Very low195 Ų195132.8 Ų132.891%0.91176%0.763SS**  trans-53.5121.4173.7-69.2169.1111.600112
32E40.3Very low44.3Very low171 Ų171126 Ų12680%0.79973%0.732SS**  trans-125.6144.7153-80.7-168.2137.700108.1S30 D34S30-E32 PolarHBondContact O-N 3Å; E32-D34 PolarHBondContact O-N 3.38Å
33P34.9Very low46.6Very low126 Ų126121.1 Ų121.182%0.81870%0.702SS**  trans-78.3111.2-178.130.7-29.7000109.5S35P33-S35 PolarHBondContact O-N 3.19Å
34D34.1Very low48.9Very low134 Ų134123.8 Ų123.872%0.71769%0.692SS**  trans-66.894.5171.7-75-39000110.1E32 Y36E32-D34 PolarHBondContact O-N 3.38Å; D34-Y36 VanDerWaalsContact C-N 3.27Å; D34-Y36 HydrophobicContact CB-CD2 3.94Å; D34-Y36 HydrophobicContact CB-CE2 3.9Å; D34-Y36 PolarHBondContact O-N 3.27Å
35S43.7Very low51.3Low98 Ų98122.6 Ų122.669%0.68567%0.669SS**  trans-68.188160.5167.80000108.3P33 T37P33-S35 PolarHBondContact O-N 3.19Å; S35-T37 VanDerWaalsContact C-N 3.34Å; S35-T37 PolarHBondContact O-N 2.99Å
36Y48Very low53.7Low189 Ų189119 Ų11974%0.74164%0.636SS**  trans-64.891.9169.5-88.9-92000110.2D34D34-Y36 VanDerWaalsContact C-N 3.27Å; D34-Y36 HydrophobicContact CB-CD2 3.94Å; D34-Y36 HydrophobicContact CB-CE2 3.9Å; D34-Y36 PolarHBondContact O-N 3.27Å
37T58.7Low55.5Low70 Ų70118 Ų11843%0.42963%0.626SS.*  trans-104.972.616237.70000108.9S35 W45S35-T37 VanDerWaalsContact C-N 3.34Å; S35-T37 PolarHBondContact O-N 2.99Å; T37-W45 HydrophobicContact CG2-CD2 3.81Å; T37-W45 HydrophobicContact CG2-CE3 4.09Å; T37-W45 HydrophobicContact CG2-CG 4.45Å; T37-W45 HydrophobicContact CG2-CH2 3.85Å; T37-W45 HydrophobicContact CG2-CZ2 3.53Å; T37-W45 HydrophobicContact CG2-CZ3 4.12Å
38E61.1Low57Low171 Ų171120.1 Ų120.180%0.79963%0.631SS**  trans-115.8111.1163.7-82.3-174.6159.800108.4
39C67.8Low59.1Low29 Ų29113.7 Ų113.720%0.19661%0.607CS.*PPolyproline II helixtrans-76.3145.2166.6-63.30000109Y43 C52C39-Y43 WeakPolarHBondContact CB-O 3.37Å; C39-C52 VanDerWaalsContact CA-SG 3.5Å; C39-C52 HydrophobicContact CB-CB 3.81Å; C39-C52 WeakPolarHBondContact CB-SG 3.39Å; C39-C52 VanDerWaalsContact SG-CA 3.56Å; C39-C52 WeakPolarHBondContact SG-CB 3.04Å; C39-C52 CovalentContact SG-SG 2.03Å; C39-C52 PolarHBondContact SG-SG 3.38Å
40T68Low61.1Low104 Ų104113.3 Ų113.364%0.63860%0.6SS**PPolyproline II helixtrans-63.4150.1172.646.20000111.1G42 Y43T40-G42 PolarHBondContact O-N 2.98Å; T40-Y43 PolarHBondContact O-N 3.16Å; T40-Y43 VanDerWaalsContact O-N 3.08Å
41D69.6Low63.3Low162 Ų162114.1 Ų114.187%0.86659%0.591SS**THydrogen-bonded Turntrans-46.8132.6177.7-66.6-26.7000111.9
42G66.4Low64.9Low20 Ų20106.5 Ų106.521%0.20656%0.559CS.*THydrogen-bonded Turntrans95.2-2.9-172.800000114.7T40 V55 E57T40-G42 PolarHBondContact O-N 2.98Å; G42-V55 PolarHBondContact O-N 3.28Å; G42-E57 WeakPolarHBondContact CA-OE1 3.48Å
43Y78Confident66.9Low74 Ų74104.6 Ų104.629%0.2954%0.544SS..EExtended strand (participates in β ladder)trans-129.8141.8176.5-61.7-97000112.2C39 T40 R53 D54 G76C39-Y43 WeakPolarHBondContact CB-O 3.37Å; T40-Y43 PolarHBondContact O-N 3.16Å; T40-Y43 VanDerWaalsContact O-N 3.08Å; Y43-R53 CarbonylContact C-O 3.56Å; Y43-R53 WeakPolarHBondContact CA-O 2.93Å; Y43-D54 HydrophobicContact CD1-CB 4.22Å; Y43-D54 HydrophobicContact CE1-CB 4Å; Y43-G76 WeakPolarHBondContact OH-CA 3.31Å; Y43-G76 PolarHBondContact OH-N 3.5Å; Y43-G76 VanDerWaalsContact OH-N 3.09Å
44E81.4Confident69.1Low138 Ų138100.6 Ų100.665%0.64552%0.516SS*.EExtended strand (participates in β ladder)trans-113.9140.2178.2-176.2172.7-158.900110.2D46 R53 V55E44-D46 PolarHBondContact O-N 2.9Å; E44-R53 PolarHBondContact N-O 3.27Å; E44-R53 PolarHBondContact O-N 2.86Å; E44-V55 HydrophobicContact CB-CG2 3.47Å; E44-V55 VanDerWaalsContact CB-CG2 3.47Å
45W80.9Confident71.3Confident100 Ų10095.8 Ų95.838%0.37949%0.491SS..EExtended strand (participates in β ladder)trans-73.8120.5-179.9-179.1-100.2000110.6T37 P47 Q50T37-W45 HydrophobicContact CG2-CD2 3.81Å; T37-W45 HydrophobicContact CG2-CE3 4.09Å; T37-W45 HydrophobicContact CG2-CG 4.45Å; T37-W45 HydrophobicContact CG2-CH2 3.85Å; T37-W45 HydrophobicContact CG2-CZ2 3.53Å; T37-W45 HydrophobicContact CG2-CZ3 4.12Å; W45-P47 WeakPolarHBondContact O-CD 3.26Å; W45-Q50 HydrophobicContact CH2-CB 4.21Å; W45-Q50 WeakPolarHBondContact CH2-O 3.31Å; W45-Q50 HydrophobicContact CZ2-CB 4.01Å; W45-Q50 HydrophobicContact CZ2-CG 4.48Å
46D79.3Confident73.1Confident29 Ų2993.9 Ų93.916%0.15547%0.474CS..EExtended strand (participates in β ladder)trans-94.8110.4173.6-179.6-60.9000109.5E44 D48 S49 Q50 H51 R53E44-D46 PolarHBondContact O-N 2.9Å; D46-D48 VanDerWaalsContact C-N 3.29Å; D46-D48 PolarHBondContact O-N 2.02Å; D46-D48 PolarHBondContact OD1-N 3.23Å; D46-D48 VanDerWaalsContact OD1-N 3.09Å; D46-S49 WeakPolarHBondContact CB-OG 3.48Å; D46-S49 PolarHBondContact O-N 3.12Å; D46-S49 PolarHBondContact OD1-N 3.32Å; D46-S49 PolarHBondContact OD1-OG 2.86Å; D46-Q50 PolarHBondContact O-N 3.17Å; D46-H51 PolarHBondContact N-O 3.36Å; D46-H51 VanDerWaalsContact N-O 3.16Å; D46-R53 HydrophobicContact CB-CG 3.96Å; D46-R53 IonicContact OD1-NH2 3.11Å; D46-R53 WeakPolarHBondContact OD2-CD 3.43Å; D46-R53 IonicContact OD2-CZ 2.7Å; D46-R53 IonicContact OD2-NE 2.71Å; D46-R53 PolarHBondContact OD2-NE 2.93Å; D46-R53 VanDerWaalsContact OD2-NE 3.11Å; D46-R53 IonicContact OD2-NH1 3.2Å; D46-R53 PolarHBondContact OD2-NH1 2.77Å; D46-R53 IonicContact OD2-NH2 2.96Å; D46-R53 PolarHBondContact OD2-NH2 3.46Å; D46-R53 VanDerWaalsContact OD2-NH2 3.15Å
47P71Confident74.8Confident94 Ų9485.7 Ų85.761%0.6144%0.442SS*.THydrogen-bonded Turntrans-71.1-20.8-173.826.4-32.8000113.8W45W45-P47 WeakPolarHBondContact O-CD 3.26Å
48D75.3Confident75.9Confident158 Ų15884.1 Ų84.185%0.84543%0.434SS*.THydrogen-bonded Turntrans-80.4-31.2179.3-67.1-41.8000111.8D46D46-D48 VanDerWaalsContact C-N 3.29Å; D46-D48 PolarHBondContact O-N 2.02Å; D46-D48 PolarHBondContact OD1-N 3.23Å; D46-D48 VanDerWaalsContact OD1-N 3.09Å
49S74.8Confident76.8Confident52 Ų5282.9 Ų82.936%0.36443%0.431SS..THydrogen-bonded Turntrans-104.4-5.6179.453.40000115D46 H51 R53D46-S49 WeakPolarHBondContact CB-OG 3.48Å; D46-S49 PolarHBondContact O-N 3.12Å; D46-S49 PolarHBondContact OD1-N 3.32Å; D46-S49 PolarHBondContact OD1-OG 2.86Å; S49-H51 PolarHBondContact O-N 2.84Å; S49-R53 PolarHBondContact OG-NE 3.45Å; S49-R53 PolarHBondContact OG-NH2 3.11Å
50Q75Confident77.2Confident152 Ų15285.8 Ų85.871%0.7145%0.449SS*.THydrogen-bonded Turntrans50.337.2-179-59.7-173.9-4.100113.1W45 D46W45-Q50 HydrophobicContact CH2-CB 4.21Å; W45-Q50 WeakPolarHBondContact CH2-O 3.31Å; W45-Q50 HydrophobicContact CZ2-CB 4.01Å; W45-Q50 HydrophobicContact CZ2-CG 4.48Å; D46-Q50 PolarHBondContact O-N 3.17Å
51H77.8Confident77.6Confident131 Ų13184.3 Ų84.361%0.60644%0.436SS*.EExtended strand (participates in β ladder)trans-141.9152.6177.9-161.764.2000111.1D46 S49D46-H51 PolarHBondContact N-O 3.36Å; D46-H51 VanDerWaalsContact N-O 3.16Å; S49-H51 PolarHBondContact O-N 2.84Å
52C77.9Confident77.1Confident35 Ų3582.4 Ų82.424%0.23643%0.432CS..EExtended strand (participates in β ladder)trans-74.5124.2175-630000109.9C39C39-C52 VanDerWaalsContact CA-SG 3.5Å; C39-C52 HydrophobicContact CB-CB 3.81Å; C39-C52 WeakPolarHBondContact CB-SG 3.39Å; C39-C52 VanDerWaalsContact SG-CA 3.56Å; C39-C52 WeakPolarHBondContact SG-CB 3.04Å; C39-C52 CovalentContact SG-SG 2.03Å; C39-C52 PolarHBondContact SG-SG 3.38Å
53R81.8Confident77.3Confident131 Ų13189.7 Ų89.749%0.49446%0.461SS..EExtended strand (participates in β ladder)trans-106.1143.3176.9-67.4-170.2-178.8177.710.2110.5Y43 E44 D46 S49 V55Y43-R53 CarbonylContact C-O 3.56Å; Y43-R53 WeakPolarHBondContact CA-O 2.93Å; E44-R53 PolarHBondContact N-O 3.27Å; E44-R53 PolarHBondContact O-N 2.86Å; D46-R53 HydrophobicContact CB-CG 3.96Å; D46-R53 IonicContact OD1-NH2 3.11Å; D46-R53 WeakPolarHBondContact OD2-CD 3.43Å; D46-R53 IonicContact OD2-CZ 2.7Å; D46-R53 IonicContact OD2-NE 2.71Å; D46-R53 PolarHBondContact OD2-NE 2.93Å; D46-R53 VanDerWaalsContact OD2-NE 3.11Å; D46-R53 IonicContact OD2-NH1 3.2Å; D46-R53 PolarHBondContact OD2-NH1 2.77Å; D46-R53 IonicContact OD2-NH2 2.96Å; D46-R53 PolarHBondContact OD2-NH2 3.46Å; D46-R53 VanDerWaalsContact OD2-NH2 3.15Å; S49-R53 PolarHBondContact OG-NE 3.45Å; S49-R53 PolarHBondContact OG-NH2 3.11Å; R53-V55 PolarHBondContact O-N 2.8Å
54D80.1Confident77Confident42 Ų4286.9 Ų86.923%0.22545%0.454CS..EExtended strand (participates in β ladder)trans-59.9128.1177.1-175.568000110.9Y43 N73 H74 Y75 G76Y43-D54 HydrophobicContact CD1-CB 4.22Å; Y43-D54 HydrophobicContact CE1-CB 4Å; D54-N73 PolarHBondContact OD2-ND2 3.29Å; D54-H74 VanDerWaalsContact OD1-O 3.14Å; D54-Y75 HydrophobicContact CB-CD1 4.14Å; D54-Y75 VanDerWaalsContact OD1-CA 3.29Å; D54-Y75 WeakPolarHBondContact OD1-CA 3.35Å; D54-G76 PolarHBondContact OD1-N 2.74Å
55V81.1Confident76.8Confident32 Ų3281.1 Ų81.119%0.19443%0.428CS..  trans-88129.2177.3175.60000108.4G42 E44 R53 E57 T60G42-V55 PolarHBondContact O-N 3.28Å; E44-V55 HydrophobicContact CB-CG2 3.47Å; E44-V55 VanDerWaalsContact CB-CG2 3.47Å; R53-V55 PolarHBondContact O-N 2.8Å; V55-E57 HydrophobicContact CG1-CG 4.49Å; V55-E57 PolarHBondContact O-N 2.03Å; V55-E57 VanDerWaalsContact O-N 3.11Å; V55-T60 HydrophobicContact CG1-CG2 4.25Å
56N80.5Confident76.3Confident59 Ų5985.3 Ų85.332%0.31645%0.449SS..  trans-8292.9176.9-172.3-21.1000111.9C58 L59 T60 N73N56-C58 PolarHBondContact O-N 2.95Å; N56-C58 WeakPolarHBondContact OD1-CB 3.45Å; N56-C58 PolarHBondContact OD1-N 3.49Å; N56-L59 PolarHBondContact O-N 2.91Å; N56-L59 VanDerWaalsContact O-N 3.13Å; N56-T60 PolarHBondContact O-N 2.82Å; N56-N73 VanDerWaalsContact CA-OD1 3.31Å; N56-N73 WeakPolarHBondContact CA-OD1 3.04Å
57E84.8Confident75.9Confident16 Ų1687.4 Ų87.48%0.07548%0.477CS..Hα-helixtrans-70.9-18-173.6-57.188.5171.700114.1G42 V55 L59 T60 I61 G77 Y78G42-E57 WeakPolarHBondContact CA-OE1 3.48Å; V55-E57 HydrophobicContact CG1-CG 4.49Å; V55-E57 PolarHBondContact O-N 2.03Å; V55-E57 VanDerWaalsContact O-N 3.11Å; E57-L59 PolarHBondContact O-N 3.46Å; E57-T60 WeakPolarHBondContact CA-OG1 3.48Å; E57-T60 PolarHBondContact O-N 2.85Å; E57-I61 HydrophobicContact CB-CD1 3.89Å; E57-I61 HydrophobicContact CB-CG1 4.2Å; E57-I61 HydrophobicContact CG-CD1 4.28Å; E57-I61 WeakPolarHBondContact O-CB 3.4Å; E57-I61 PolarHBondContact O-N 2.95Å; E57-G77 WeakPolarHBondContact OE1-CA 3.32Å; E57-G77 WeakPolarHBondContact OE2-CA 3.14Å; E57-Y78 HydrophobicContact CB-CD1 3.46Å; E57-Y78 VanDerWaalsContact CB-CD1 3.46Å; E57-Y78 HydrophobicContact CB-CE1 4.11Å; E57-Y78 HydrophobicContact CB-CG 4.16Å; E57-Y78 HydrophobicContact CG-CD1 4.08Å; E57-Y78 PolarHBondContact OE2-N 2.78Å
58C80.8Confident75.7Confident38 Ų3890 Ų9026%0.25748%0.481SS..Hα-helixtrans-65.9-17.8173.3-61.70000113N56 C71 I72N56-C58 PolarHBondContact O-N 2.95Å; N56-C58 WeakPolarHBondContact OD1-CB 3.45Å; N56-C58 PolarHBondContact OD1-N 3.49Å; C58-C71 WeakPolarHBondContact CA-SG 3.47Å; C58-C71 HydrophobicContact CB-CB 3.88Å; C58-C71 WeakPolarHBondContact CB-SG 3.1Å; C58-C71 WeakPolarHBondContact SG-CB 3.41Å; C58-C71 CovalentContact SG-SG 2.04Å; C58-C71 PolarHBondContact SG-SG 3.45Å; C58-I72 VanDerWaalsContact SG-C 3.55Å; C58-I72 PolarHBondContact SG-N 2.74Å
59L80Confident75.7Confident144 Ų14485.6 Ų85.675%0.75446%0.456SS*.Hα-helixtrans-102.8-30.3176.4-63177.6000112.6N56 E57N56-L59 PolarHBondContact O-N 2.91Å; N56-L59 VanDerWaalsContact O-N 3.13Å; E57-L59 PolarHBondContact O-N 3.46Å
60T76.8Confident76Confident91 Ų9189.7 Ų89.756%0.55847%0.467SS*.Hα-helixtrans-91.4-22.8-174.4620000113.2V55 N56 E57V55-T60 HydrophobicContact CG1-CG2 4.25Å; N56-T60 PolarHBondContact O-N 2.82Å; E57-T60 WeakPolarHBondContact CA-OG1 3.48Å; E57-T60 PolarHBondContact O-N 2.85Å
61I75.7Confident76.3Confident72 Ų7284.1 Ų84.137%0.36945%0.445SS..SBendtrans-106.4112.4177.9-53.2-179.2000110.3E57 E63 A64 Y78E57-I61 HydrophobicContact CB-CD1 3.89Å; E57-I61 HydrophobicContact CB-CG1 4.2Å; E57-I61 HydrophobicContact CG-CD1 4.28Å; E57-I61 WeakPolarHBondContact O-CB 3.4Å; E57-I61 PolarHBondContact O-N 2.95Å; I61-E63 PolarHBondContact O-N 2.78Å; I61-A64 HydrophobicContact CB-CB 4.13Å; I61-A64 HydrophobicContact CG2-CB 4.32Å; I61-A64 PolarHBondContact O-N 3.29Å; I61-Y78 HydrophobicContact CD1-CE1 4.05Å
62P60.1Low76.5Confident122 Ų12281.6 Ų81.679%0.79244%0.435SS*.THydrogen-bonded Turntrans-64.5124.9175.21.36.2000110.4
63E70.4Confident76.6Confident173 Ų17382.7 Ų82.781%0.80844%0.439SS*.THydrogen-bonded Turntrans56.545.9-173.3-56.4-151.2147.300114.4I61 C65I61-E63 PolarHBondContact O-N 2.78Å; E63-C65 PolarHBondContact O-N 3.28Å
64A71.1Confident76.6Confident16 Ų1681.8 Ų81.813%0.13244%0.44CS..SBendtrans-44.7-35.117600000113.7I61 Y78I61-A64 HydrophobicContact CB-CB 4.13Å; I61-A64 HydrophobicContact CG2-CB 4.32Å; I61-A64 PolarHBondContact O-N 3.29Å; A64-Y78 HydrophobicContact CB-CD2 3.99Å; A64-Y78 HydrophobicContact CB-CE2 3.72Å; A64-Y78 WeakPolarHBondContact O-CE2 3.5Å; A64-Y78 PolarHBondContact O-OH 2.75Å
65C77.6Confident76.5Confident16 Ų1688.6 Ų88.611%0.10846%0.464CS..SBendtrans-112.5129.8173.9-55.60000111.9E63 M69 C71 C80E63-C65 PolarHBondContact O-N 3.28Å; C65-M69 HydrophobicContact CB-CB 3.84Å; C65-C71 VanDerWaalsContact SG-CB 3.58Å; C65-C80 VanDerWaalsContact CA-SG 3.53Å; C65-C80 HydrophobicContact CB-CB 3.75Å; C65-C80 WeakPolarHBondContact CB-SG 3.17Å; C65-C80 WeakPolarHBondContact SG-CA 3.49Å; C65-C80 WeakPolarHBondContact SG-CB 3.29Å; C65-C80 CovalentContact SG-SG 2.02Å; C65-C80 PolarHBondContact SG-SG 2.96Å
66K69.9Low76Confident189 Ų18988.7 Ų88.782%0.82247%0.471SS*.  trans-84.6139.5176.2-67.9-177.1178177.90111.9M69K66-M69 WeakPolarHBondContact O-CG 3.22Å
67G71.4Confident75.9Confident72 Ų7286.8 Ų86.874%0.74247%0.465SS*.SBendtrans84.2-156.7176.700000113.8M69G67-M69 PolarHBondContact O-N 2.92Å
68E67.9Low75.9Confident149 Ų14990.2 Ų90.270%0.69648%0.478SS*.SBendtrans-8157.7178.2-64.1-166.3168.500111.9R83E68-R83 HydrophobicContact CB-CB 4.32Å; E68-R83 WeakPolarHBondContact O-CB 3.28Å; E68-R83 PolarHBondContact O-N 2.76Å
69M75Confident75.7Confident66 Ų6692.7 Ų92.733%0.32549%0.488SS..EExtended strand (participates in β ladder)trans-120.6137.7-177.2-55.7-73.9-74.700110.2C65 K66 G67 C80 L81 P82C65-M69 HydrophobicContact CB-CB 3.84Å; K66-M69 WeakPolarHBondContact O-CG 3.22Å; G67-M69 PolarHBondContact O-N 2.92Å; M69-C80 HydrophobicContact CB-CB 4.32Å; M69-C80 HydrophobicContact CE-CB 4.18Å; M69-C80 VanDerWaalsContact CE-O 3.25Å; M69-C80 WeakPolarHBondContact CE-O 3.38Å; M69-L81 CarbonylContact C-O 3.59Å; M69-L81 VanDerWaalsContact CA-O 3.23Å; M69-L81 WeakPolarHBondContact CA-O 3.34Å; M69-P82 HydrophobicContact CE-CB 4.47Å; M69-P82 WeakPolarHBondContact SD-CA 3.21Å; M69-P82 HydrophobicContact SD-CB 3.63Å; M69-P82 HydrophobicContact SD-CG 4.39Å; M69-P82 VanDerWaalsContact SD-N 3.45Å
70K80.1Confident75.7Confident137 Ų13788 Ų8860%0.59647%0.467SS*.EExtended strand (participates in β ladder)trans-93.8128174.9-173.7178.8179.9-176.40109.7L81K70-L81 PolarHBondContact N-O 3.1Å; K70-L81 PolarHBondContact O-N 3.16Å
71C81.3Confident75.5Confident35 Ų3587.3 Ų87.324%0.23646%0.459CS..EExtended strand (participates in β ladder)trans-80.4135.5174.4-167.60000110.7C58 C65 L79C58-C71 WeakPolarHBondContact CA-SG 3.47Å; C58-C71 HydrophobicContact CB-CB 3.88Å; C58-C71 WeakPolarHBondContact CB-SG 3.1Å; C58-C71 WeakPolarHBondContact SG-CB 3.41Å; C58-C71 CovalentContact SG-SG 2.04Å; C58-C71 PolarHBondContact SG-SG 3.45Å; C65-C71 VanDerWaalsContact SG-CB 3.58Å; C71-L79 WeakPolarHBondContact CA-O 3.45Å
72I82.3Confident75Confident79 Ų7986.6 Ų86.641%0.40546%0.46SS..EExtended strand (participates in β ladder)trans-130129.6173.3-53.1-179.9000107.8C58 L79 L81C58-I72 VanDerWaalsContact SG-C 3.55Å; C58-I72 PolarHBondContact SG-N 2.74Å; I72-L79 PolarHBondContact N-O 2.83Å; I72-L79 PolarHBondContact O-N 2.55Å; I72-L81 HydrophobicContact CD1-CD1 3.69Å; I72-L81 HydrophobicContact CD1-CG 4.45Å
73N79.3Confident75Confident57 Ų5789.6 Ų89.631%0.30546%0.455SS..EExtended strand (participates in β ladder)trans-67.7138.8176.6-165.748.1000111.2D54 N56D54-N73 PolarHBondContact OD2-ND2 3.29Å; N56-N73 VanDerWaalsContact CA-OD1 3.31Å; N56-N73 WeakPolarHBondContact CA-OD1 3.04Å
74H83Confident74.3Confident113 Ų11386.2 Ų86.252%0.52345%0.45SS..EExtended strand (participates in β ladder)trans-136.8158.8178.5-170.4-84.4000109.7D54 G76 G77D54-H74 VanDerWaalsContact OD1-O 3.14Å; H74-G76 PolarHBondContact O-N 2.69Å; H74-G76 VanDerWaalsContact O-N 3.13Å; H74-G77 CarbonylContact C-O 3.53Å; H74-G77 VanDerWaalsContact CA-O 3.27Å; H74-G77 WeakPolarHBondContact CA-O 3.02Å; H74-G77 WeakPolarHBondContact CB-O 3.44Å; H74-G77 PolarHBondContact N-O 2.77Å; H74-G77 PolarHBondContact O-N 3.06Å
75Y76.8Confident73.3Confident185 Ų18589.1 Ų89.173%0.72548%0.475SS*.THydrogen-bonded Turntrans-63.7119.6177-72.1-76.3000110.8D54D54-Y75 HydrophobicContact CB-CD1 4.14Å; D54-Y75 VanDerWaalsContact OD1-CA 3.29Å; D54-Y75 WeakPolarHBondContact OD1-CA 3.35Å
76G70.6Confident71.6Confident33 Ų3392.1 Ų92.134%0.3450%0.5SS..THydrogen-bonded Turntrans8017.4179.300000115Y43 D54 H74Y43-G76 WeakPolarHBondContact OH-CA 3.31Å; Y43-G76 PolarHBondContact OH-N 3.5Å; Y43-G76 VanDerWaalsContact OH-N 3.09Å; D54-G76 PolarHBondContact OD1-N 2.74Å; H74-G76 PolarHBondContact O-N 2.69Å; H74-G76 VanDerWaalsContact O-N 3.13Å
77G79.8Confident70.4Confident19 Ų1989.2 Ų89.220%0.19650%0.498CS..EExtended strand (participates in β ladder)trans159.6-168.3177.700000114.2E57 H74E57-G77 WeakPolarHBondContact OE1-CA 3.32Å; E57-G77 WeakPolarHBondContact OE2-CA 3.14Å; H74-G77 CarbonylContact C-O 3.53Å; H74-G77 VanDerWaalsContact CA-O 3.27Å; H74-G77 WeakPolarHBondContact CA-O 3.02Å; H74-G77 WeakPolarHBondContact CB-O 3.44Å; H74-G77 PolarHBondContact N-O 2.77Å; H74-G77 PolarHBondContact O-N 3.06Å
78Y83.4Confident68.6Low89 Ų8993.5 Ų93.535%0.34950%0.502SS..EExtended strand (participates in β ladder)trans-122.2150.2179.665-79.9000112.4E57 I61 A64 C80E57-Y78 HydrophobicContact CB-CD1 3.46Å; E57-Y78 VanDerWaalsContact CB-CD1 3.46Å; E57-Y78 HydrophobicContact CB-CE1 4.11Å; E57-Y78 HydrophobicContact CB-CG 4.16Å; E57-Y78 HydrophobicContact CG-CD1 4.08Å; E57-Y78 PolarHBondContact OE2-N 2.78Å; I61-Y78 HydrophobicContact CD1-CE1 4.05Å; A64-Y78 HydrophobicContact CB-CD2 3.99Å; A64-Y78 HydrophobicContact CB-CE2 3.72Å; A64-Y78 WeakPolarHBondContact O-CE2 3.5Å; A64-Y78 PolarHBondContact O-OH 2.75Å; Y78-C80 VanDerWaalsContact CE2-SG 3.59Å
79L77.3Confident67.4Low89 Ų8992.6 Ų92.647%0.46650%0.502SS..EExtended strand (participates in β ladder)trans-107.8134.7176.6-140.283.7000110.7C71 I72 L81C71-L79 WeakPolarHBondContact CA-O 3.45Å; I72-L79 PolarHBondContact N-O 2.83Å; I72-L79 PolarHBondContact O-N 2.55Å; L79-L81 HydrophobicContact CD2-CD2 4.02Å; L79-L81 HydrophobicContact CD2-CG 4.3Å
80C80.4Confident65.5Low45 Ų4596.2 Ų96.230%0.30452%0.523SS..EExtended strand (participates in β ladder)trans-106117.5175-63.10000110.5C65 M69 Y78C65-C80 VanDerWaalsContact CA-SG 3.53Å; C65-C80 HydrophobicContact CB-CB 3.75Å; C65-C80 WeakPolarHBondContact CB-SG 3.17Å; C65-C80 WeakPolarHBondContact SG-CA 3.49Å; C65-C80 WeakPolarHBondContact SG-CB 3.29Å; C65-C80 CovalentContact SG-SG 2.02Å; C65-C80 PolarHBondContact SG-SG 2.96Å; M69-C80 HydrophobicContact CB-CB 4.32Å; M69-C80 HydrophobicContact CE-CB 4.18Å; M69-C80 VanDerWaalsContact CE-O 3.25Å; M69-C80 WeakPolarHBondContact CE-O 3.38Å; Y78-C80 VanDerWaalsContact CE2-SG 3.59Å
81L71.8Confident63.3Low77 Ų7797.3 Ų97.340%0.40354%0.535SS..EExtended strand (participates in β ladder)trans-116.6143.6177.6-63.9179.6000111.3M69 K70 I72 L79M69-L81 CarbonylContact C-O 3.59Å; M69-L81 VanDerWaalsContact CA-O 3.23Å; M69-L81 WeakPolarHBondContact CA-O 3.34Å; K70-L81 PolarHBondContact N-O 3.1Å; K70-L81 PolarHBondContact O-N 3.16Å; I72-L81 HydrophobicContact CD1-CD1 3.69Å; I72-L81 HydrophobicContact CD1-CG 4.45Å; L79-L81 HydrophobicContact CD2-CD2 4.02Å; L79-L81 HydrophobicContact CD2-CG 4.3Å
82P65.6Low61.4Low58 Ų58105.3 Ų105.338%0.37757%0.568SS.*EExtended strand (participates in β ladder)trans-64.4136.9-178.524.6-31.3000112.5M69 S84 A85M69-P82 HydrophobicContact CE-CB 4.47Å; M69-P82 WeakPolarHBondContact SD-CA 3.21Å; M69-P82 HydrophobicContact SD-CB 3.63Å; M69-P82 HydrophobicContact SD-CG 4.39Å; M69-P82 VanDerWaalsContact SD-N 3.45Å; P82-S84 PolarHBondContact O-N 3.09Å; P82-S84 VanDerWaalsContact O-N 3.11Å; P82-A85 PolarHBondContact O-N 2.85Å
83R60.8Low59Low184 Ų184105 Ų10569%0.69459%0.585SS**THydrogen-bonded Turntrans-60.8-16.6174.7-83.2-174164.9164.4-1.5112.9E68 A85E68-R83 HydrophobicContact CB-CB 4.32Å; E68-R83 WeakPolarHBondContact O-CB 3.28Å; E68-R83 PolarHBondContact O-N 2.76Å; R83-A85 PolarHBondContact O-N 2.89Å
84S55.5Low57.3Low102 Ų102112.2 Ų112.271%0.71362%0.617SS**THydrogen-bonded Turntrans-79.14.4173.754.20000114.6P82 A86P82-S84 PolarHBondContact O-N 3.09Å; P82-S84 VanDerWaalsContact O-N 3.11Å; S84-A86 PolarHBondContact O-N 2.87Å
85A50Low55Low78 Ų78110.1 Ų110.165%0.64563%0.625SS**  trans-77.969.5156.800000109.7P82 R83 V87P82-A85 PolarHBondContact O-N 2.85Å; R83-A85 PolarHBondContact O-N 2.89Å; A85-V87 PolarHBondContact O-N 3.15Å
86A42.3Very low53.4Low78 Ų78107.1 Ų107.165%0.64563%0.629SS**  trans-71.1107.916100000107.8S84 I88S84-A86 PolarHBondContact O-N 2.87Å; A86-I88 PolarHBondContact O-N 3.35Å
87V43.1Very low52.6Low129 Ų129111.5 Ų111.578%0.78265%0.651SS**  trans-48.1119.6140.4172.40000105.9A85 N89A85-V87 PolarHBondContact O-N 3.15Å; V87-N89 PolarHBondContact O-N 2.69Å
88I35.4Very low50.6Low161 Ų161116.2 Ų116.283%0.82668%0.678SS**  trans-62108.7178.8-58.1179.7000107.5A86A86-I88 PolarHBondContact O-N 3.35Å
89N41.7Very low48.7Very low130 Ų130117.7 Ų117.770%0.69570%0.699SS**  trans-109.9131.4156.8-99.10.9000106.6V87V87-N89 PolarHBondContact O-N 2.69Å
90D34.4Very low47.4Very low142 Ų142120 Ų12076%0.75972%0.716SS**  177.3150.6114.2-94.2-27.2000114.3
91L35.2Very low45.6Very low161 Ų161123 Ų12384%0.84374%0.736SS**  trans90.790.4151.1-67.3143.6000119.6
92H41.3Very low44.3Very low202 Ų202125 Ų12594%0.93575%0.753SS**  trans-64.9123.8140.8-81.8-73.8000110.4
93G32.5Very low43.5Very low74 Ų74126.3 Ų126.376%0.76377%0.768SS**  trans-164.8115.7168.200000110
94E42.9Very low42.6Very low208 Ų208125.6 Ų125.697%0.97277%0.773SS**  trans-68.4146.2-177.4-63.5-162133.900113.6
95G35.1Very low42Very low68 Ų68128.4 Ų128.470%0.70178%0.775SS**  trans-163.4148.2166.700000111.4
96P42.4Very low42.2Very low122 Ų122130.2 Ų130.279%0.79278%0.78SS**  trans-85166-147.334.8-36.6000115.4
97P53.6Low43.4Very low126 Ų126133.8 Ų133.882%0.81879%0.788SS**  trans-90.6151.7-16736.3-33.2000113.3
98P38.7Very low44.7Very low118 Ų118133.1 Ų133.177%0.76679%0.787SS**  trans-135.4172.715043.6-29.4000111.4
99P43.1Very low46.4Very low120 Ų120126.4 Ų126.478%0.77975%0.754SS**  -94.8158.1-111.225.3-5.5000114P101P99-P101 WeakPolarHBondContact O-CD 3.46Å
100V48.8Very low48.3Very low137 Ų137124 Ų12483%0.8375%0.745SS**  trans-64.5133168.1178.70000110.7
101P42.9Very low50.5Low109 Ų109123.1 Ų123.171%0.70875%0.747SS**  trans-106.4156.3145.824.9-7.6000110.6P99P99-P101 WeakPolarHBondContact O-CD 3.46Å
102P45.5Very low52.6Low117 Ų117116.6 Ų116.676%0.7672%0.719SS**  trans-82.7154.8-152.132.5-34.1000113.4
103A48.8Very low54.7Low86 Ų86110.4 Ų110.471%0.71169%0.688SS**  trans-46.5144.7162.200000111.8
104Q40.8Very low57.2Low169 Ų169110.7 Ų110.779%0.7967%0.669SS**  trans-177.2130.5133.7-103.9162.244.300114.3
105H42.8Very low59Low162 Ų162104.6 Ų104.675%0.7565%0.648SS**  trans92.3145152-65.3-53.9000119.5
106P55.5Low61.1Low116 Ų116105 Ų10575%0.75363%0.634SS**  -97.6161.4-116.437-32.9000113.6
107N66.3Low62.7Low153 Ų153107 Ų10782%0.81864%0.638SS**  trans-25.2140.7-176.3-66.4-9.3000116.1
108P70.6Confident63.9Low115 Ų115108.9 Ų108.975%0.74764%0.636SS**  -128.1165.7105.624.5-8.1000111.6
109C71.3Confident65.4Low20 Ų20111.8 Ų111.814%0.13564%0.639CS.*PPolyproline II helixtrans-46157.4175.8-680000113.6Y113 C121C109-Y113 WeakPolarHBondContact CB-O 3.46Å; C109-C121 WeakPolarHBondContact CA-SG 3.45Å; C109-C121 HydrophobicContact CB-CB 3.63Å; C109-C121 WeakPolarHBondContact CB-SG 3.38Å; C109-C121 WeakPolarHBondContact SG-CA 3.33Å; C109-C121 WeakPolarHBondContact SG-CB 3.43Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 3.11Å
110P81.4Confident67.1Low78 Ų78109.3 Ų109.351%0.50663%0.625SS.*SBendtrans-51152.3174.2-22.732.3000111.6G112 Y113P110-G112 PolarHBondContact O-N 2.99Å; P110-Y113 HydrophobicContact CB-CD2 4.11Å; P110-Y113 WeakPolarHBondContact O-CB 3.38Å; P110-Y113 PolarHBondContact O-N 2.04Å
111P80.7Confident68.8Low124 Ų124105.4 Ų105.481%0.80560%0.603SS**THydrogen-bonded Turntrans-51.1133.2175.8-25.233.9000111.6
112G79.8Confident70.9Confident25 Ų25103 Ų10326%0.25859%0.586SS.*THydrogen-bonded Turntrans88.81.5-174.100000114.8P110 V124P110-G112 PolarHBondContact O-N 2.99Å; G112-V124 WeakPolarHBondContact O-CB 3.26Å; G112-V124 PolarHBondContact O-N 3.04Å
113Y85.6Confident73Confident72 Ų7299.6 Ų99.628%0.28256%0.561SS.*EExtended strand (participates in β ladder)trans-123.9143.3177.4-66.2-103.9000111.2C109 P110 C121 V122 D123 P144 G145C109-Y113 WeakPolarHBondContact CB-O 3.46Å; P110-Y113 HydrophobicContact CB-CD2 4.11Å; P110-Y113 WeakPolarHBondContact O-CB 3.38Å; P110-Y113 PolarHBondContact O-N 2.04Å; Y113-C121 HydrophobicContact CD1-CB 4.36Å; Y113-V122 CarbonylContact C-O 3.4Å; Y113-V122 WeakPolarHBondContact CA-O 3.25Å; Y113-V122 WeakPolarHBondContact CB-O 3.46Å; Y113-D123 HydrophobicContact CD1-CB 4.29Å; Y113-D123 HydrophobicContact CE1-CB 3.99Å; Y113-P144 VanDerWaalsContact OH-C 3.22Å; Y113-P144 WeakPolarHBondContact OH-CB 3.25Å; Y113-G145 PolarHBondContact OH-N 2.84Å
114E84.5Confident74.9Confident79 Ų7996.4 Ų96.437%0.36953%0.533SS..EExtended strand (participates in β ladder)trans-116.3145.9174.165.9-175.2160.900111.3D116 V122 V124 Q129E114-D116 PolarHBondContact O-N 2.82Å; E114-V122 HydrophobicContact CG-CG2 4Å; E114-V122 PolarHBondContact N-O 3.49Å; E114-V122 WeakPolarHBondContact O-CG2 3.46Å; E114-V122 PolarHBondContact O-N 2.81Å; E114-V124 HydrophobicContact CB-CG2 3.79Å; E114-V124 HydrophobicContact CG-CG2 3.78Å; E114-Q129 PolarHBondContact OE1-NE2 3.18Å
115P80.5Confident77.3Confident81 Ų8191.2 Ų91.253%0.52651%0.511SS..EExtended strand (participates in β ladder)trans-74.7124.5176.228.4-31.2000110.7S120P115-S120 WeakPolarHBondContact CA-O 3.35Å
116D78.8Confident79.7Confident77 Ų7784.3 Ų84.341%0.41248%0.479SS..  trans-77172.4170.8-172.923.5000111.4E114 Q118 E119 S120 V122E114-D116 PolarHBondContact O-N 2.82Å; D116-Q118 PolarHBondContact O-N 2.92Å; D116-E119 PolarHBondContact O-N 2.86Å; D116-S120 PolarHBondContact N-O 2.84Å; D116-V122 HydrophobicContact CB-CG1 4.05Å; D116-V122 HydrophobicContact CB-CG2 4.19Å
117D76.6Confident81.4Confident162 Ų16280.4 Ų80.487%0.86645%0.454SS*.THydrogen-bonded Turntrans-53.6-14.2-178.4-73.8-30000114.6
118Q78.3Confident82.5Confident167 Ų16776.8 Ų76.878%0.7845%0.445SS*.THydrogen-bonded Turntrans-106.816177.9-60178.934.900113.8D116 S120D116-Q118 PolarHBondContact O-N 2.92Å; Q118-S120 PolarHBondContact O-N 2.95Å
119E71.4Confident83.4Confident178 Ų17875.5 Ų75.583%0.83243%0.429SS*.SBendtrans58.222.2-174.9-62.2-173.2160.200114.2D116D116-E119 PolarHBondContact O-N 2.86Å
120S78.3Confident84Confident69 Ų6978.2 Ų78.248%0.48345%0.453SS..  trans-92.8139.3172.9-178.40000110.5P115 D116 Q118 V122P115-S120 WeakPolarHBondContact CA-O 3.35Å; D116-S120 PolarHBondContact N-O 2.84Å; Q118-S120 PolarHBondContact O-N 2.95Å; S120-V122 PolarHBondContact O-N 3.46Å
121C84Confident84.3Confident55 Ų5579.5 Ų79.537%0.37246%0.455SS..EExtended strand (participates in β ladder)trans-80.1113.5178.7-60.60000110.8C109 Y113C109-C121 WeakPolarHBondContact CA-SG 3.45Å; C109-C121 HydrophobicContact CB-CB 3.63Å; C109-C121 WeakPolarHBondContact CB-SG 3.38Å; C109-C121 WeakPolarHBondContact SG-CA 3.33Å; C109-C121 WeakPolarHBondContact SG-CB 3.43Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 3.11Å; Y113-C121 HydrophobicContact CD1-CB 4.36Å
122V87.8Confident84.6Confident57 Ų5776.3 Ų76.335%0.34543%0.429SS..EExtended strand (participates in β ladder)trans-103.4146.3172.3-640000109.6Y113 E114 D116 S120 V124Y113-V122 CarbonylContact C-O 3.4Å; Y113-V122 WeakPolarHBondContact CA-O 3.25Å; Y113-V122 WeakPolarHBondContact CB-O 3.46Å; E114-V122 HydrophobicContact CG-CG2 4Å; E114-V122 PolarHBondContact N-O 3.49Å; E114-V122 WeakPolarHBondContact O-CG2 3.46Å; E114-V122 PolarHBondContact O-N 2.81Å; D116-V122 HydrophobicContact CB-CG1 4.05Å; D116-V122 HydrophobicContact CB-CG2 4.19Å; S120-V122 PolarHBondContact O-N 3.46Å; V122-V124 PolarHBondContact O-N 3.49Å
123D89.3Confident85Confident46 Ų4681.9 Ų81.925%0.24645%0.453CS..EExtended strand (participates in β ladder)trans-62.2131.6177.1-178.855.3000110.2Y113 D125 N142 P144 G145Y113-D123 HydrophobicContact CD1-CB 4.29Å; Y113-D123 HydrophobicContact CE1-CB 3.99Å; D123-D125 PolarHBondContact O-N 3.24Å; D123-N142 PolarHBondContact OD2-ND2 2.84Å; D123-N142 PolarHBondContact OD2-OD1 2.8Å; D123-P144 WeakPolarHBondContact OD1-CA 3.48Å; D123-G145 PolarHBondContact OD1-N 2.93Å
124V89.8Confident85Confident19 Ų1979.2 Ų79.212%0.11545%0.445CS..  trans-78112.9175.2177.30000107.2G112 E114 V122 E126 L131 N142G112-V124 WeakPolarHBondContact O-CB 3.26Å; G112-V124 PolarHBondContact O-N 3.04Å; E114-V124 HydrophobicContact CB-CG2 3.79Å; E114-V124 HydrophobicContact CG-CG2 3.78Å; V122-V124 PolarHBondContact O-N 3.49Å; V124-E126 VanDerWaalsContact C-N 3.33Å; V124-E126 HydrophobicContact CG1-CG 4.19Å; V124-E126 PolarHBondContact O-N 3.3Å; V124-L131 HydrophobicContact CG1-CD1 4.18Å; V124-N142 PolarHBondContact O-OD1 2.83Å
125D89.6Confident85.1Confident60 Ų6082.1 Ų82.132%0.32145%0.452SS..  trans-73.588.8173-171.6-22.6000110.1D123 C127 A128 Q129D123-D125 PolarHBondContact O-N 3.24Å; D125-C127 PolarHBondContact O-N 3.25Å; D125-C127 VanDerWaalsContact O-N 3.16Å; D125-C127 WeakPolarHBondContact OD1-CA 3.25Å; D125-C127 WeakPolarHBondContact OD1-CB 3.28Å; D125-C127 PolarHBondContact OD1-N 3.32Å; D125-C127 VanDerWaalsContact OD1-N 3.1Å; D125-A128 HydrophobicContact CB-CB 3.97Å; D125-A128 VanDerWaalsContact CG-CB 3.45Å; D125-A128 PolarHBondContact O-N 2.68Å; D125-A128 PolarHBondContact OD1-N 3Å; D125-A128 WeakPolarHBondContact OD2-CB 3.21Å; D125-Q129 WeakPolarHBondContact O-CB 3.14Å; D125-Q129 WeakPolarHBondContact O-CG 3.47Å; D125-Q129 PolarHBondContact O-N 3.09Å
126E92.9Very high85.3Confident18 Ų1885 Ų858%0.08447%0.471CS..THydrogen-bonded Turntrans-65.3-20.8-177.1-53.998150.900112.1V124 A130 L131 H132 N142 S146 Y147V124-E126 VanDerWaalsContact C-N 3.33Å; V124-E126 HydrophobicContact CG1-CG 4.19Å; V124-E126 PolarHBondContact O-N 3.3Å; E126-A130 CarbonylContact O-C 3.52Å; E126-A130 WeakPolarHBondContact O-CA 3.5Å; E126-A130 PolarHBondContact O-N 2.78Å; E126-A130 VanDerWaalsContact O-N 3.14Å; E126-L131 HydrophobicContact CB-CB 4.13Å; E126-L131 HydrophobicContact CG-CB 4.41Å; E126-L131 PolarHBondContact O-N 2.91Å; E126-H132 HydrophobicContact CB-CB 4.48Å; E126-H132 PolarHBondContact O-CD2 2.77Å; E126-N142 PolarHBondContact OE2-OD1 2.96Å; E126-S146 WeakPolarHBondContact OE1-CA 3.44Å; E126-Y147 HydrophobicContact CB-CD1 3.78Å; E126-Y147 HydrophobicContact CB-CG 4.18Å; E126-Y147 HydrophobicContact CG-CD1 3.83Å; E126-Y147 WeakPolarHBondContact OE2-CB 3.45Å
127C91.7Very high85.6Confident33 Ų3383.3 Ų83.322%0.22347%0.465CS..THydrogen-bonded Turntrans-75.5-44.7175.5-550000112.1D125 C140 H141 N142D125-C127 PolarHBondContact O-N 3.25Å; D125-C127 VanDerWaalsContact O-N 3.16Å; D125-C127 WeakPolarHBondContact OD1-CA 3.25Å; D125-C127 WeakPolarHBondContact OD1-CB 3.28Å; D125-C127 PolarHBondContact OD1-N 3.32Å; D125-C127 VanDerWaalsContact OD1-N 3.1Å; C127-C140 WeakPolarHBondContact CA-SG 3.42Å; C127-C140 HydrophobicContact CB-CB 3.79Å; C127-C140 WeakPolarHBondContact CB-SG 3.03Å; C127-C140 WeakPolarHBondContact SG-CB 3.47Å; C127-C140 PolarHBondContact SG-O 2.84Å; C127-C140 CovalentContact SG-SG 2.04Å; C127-C140 PolarHBondContact SG-SG 2.83Å; C127-H141 PolarHBondContact SG-N 3.32Å; C127-N142 PolarHBondContact SG-N 3.23Å
128A90.1Very high86.2Confident78 Ų7876.7 Ų76.765%0.64543%0.429SS*.THydrogen-bonded Turntrans-71.3-34.7176.700000112.4D125 A130D125-A128 HydrophobicContact CB-CB 3.97Å; D125-A128 VanDerWaalsContact CG-CB 3.45Å; D125-A128 PolarHBondContact O-N 2.68Å; D125-A128 PolarHBondContact OD1-N 3Å; D125-A128 WeakPolarHBondContact OD2-CB 3.21Å; A128-A130 VanDerWaalsContact C-N 3.35Å
129Q89.4Confident86.8Confident88 Ų8872.2 Ų72.241%0.41141%0.411SS..THydrogen-bonded Turntrans-87.8-1.7-178.8-59.2-170.725.300113.4E114 D125 L131E114-Q129 PolarHBondContact OE1-NE2 3.18Å; D125-Q129 WeakPolarHBondContact O-CB 3.14Å; D125-Q129 WeakPolarHBondContact O-CG 3.47Å; D125-Q129 PolarHBondContact O-N 3.09Å; Q129-L131 HydrophobicContact CB-CD1 3.86Å; Q129-L131 HydrophobicContact CB-CG 3.91Å; Q129-L131 PolarHBondContact O-N 2.7Å
130A84.7Confident87.7Confident76 Ų7665.2 Ų65.263%0.62838%0.381SS*.THydrogen-bonded Turntrans54.635.8-175.700000113.8E126 A128 H132E126-A130 CarbonylContact O-C 3.52Å; E126-A130 WeakPolarHBondContact O-CA 3.5Å; E126-A130 PolarHBondContact O-N 2.78Å; E126-A130 VanDerWaalsContact O-N 3.14Å; A128-A130 VanDerWaalsContact C-N 3.35Å; A130-H132 VanDerWaalsContact C-N 3.34Å
131L87.1Confident88.4Confident106 Ų10666.3 Ų66.356%0.55538%0.378SS*.  trans-97.623.6178.8-63.9175.4000112.4V124 E126 Q129V124-L131 HydrophobicContact CG1-CD1 4.18Å; E126-L131 HydrophobicContact CB-CB 4.13Å; E126-L131 HydrophobicContact CG-CB 4.41Å; E126-L131 PolarHBondContact O-N 2.91Å; Q129-L131 HydrophobicContact CB-CD1 3.86Å; Q129-L131 HydrophobicContact CB-CG 3.91Å; Q129-L131 PolarHBondContact O-N 2.7Å
132H86.3Confident88.8Confident57 Ų5766 Ų6626%0.26437%0.373SS..  trans-107.6153.5-17866.770000112.7E126 A130 C134 C140 Y147E126-H132 HydrophobicContact CB-CB 4.48Å; E126-H132 PolarHBondContact O-CD2 2.77Å; A130-H132 VanDerWaalsContact C-N 3.34Å; H132-C134 VanDerWaalsContact C-N 3.34Å; H132-C134 VanDerWaalsContact ND1-CB 3.3Å; H132-C134 WeakPolarHBondContact ND1-CB 3.19Å; H132-C134 PolarHBondContact ND1-N 2.81Å; H132-C134 VanDerWaalsContact ND1-N 3.16Å; H132-C140 VanDerWaalsContact CD2-SG 3.54Å; H132-Y147 HydrophobicContact CB-CD1 4.37Å; H132-Y147 HydrophobicContact CB-CD2 3.64Å; H132-Y147 HydrophobicContact CB-CE1 4.36Å; H132-Y147 HydrophobicContact CB-CE2 3.63Å; H132-Y147 HydrophobicContact CB-CG 4.02Å
133D87.9Confident89Confident142 Ų14266.6 Ų66.676%0.75937%0.374SS*.  trans-93.214.6173.9-68.9-40000113.4Y147D133-Y147 WeakPolarHBondContact CB-OH 3.42Å; D133-Y147 PolarHBondContact N-OH 3.38Å
134C86.9Confident89.1Confident15 Ų1569.6 Ų69.610%0.10140%0.396CS..  trans-60.9137.8177.3-50.30000112.2H132 Q138 C149H132-C134 VanDerWaalsContact C-N 3.34Å; H132-C134 VanDerWaalsContact ND1-CB 3.3Å; H132-C134 WeakPolarHBondContact ND1-CB 3.19Å; H132-C134 PolarHBondContact ND1-N 2.81Å; H132-C134 VanDerWaalsContact ND1-N 3.16Å; C134-Q138 HydrophobicContact CB-CB 4.29Å; C134-C149 WeakPolarHBondContact CA-SG 3.27Å; C134-C149 HydrophobicContact CB-CB 3.68Å; C134-C149 WeakPolarHBondContact CB-SG 3.05Å; C134-C149 PolarHBondContact N-SG 2.86Å; C134-C149 WeakPolarHBondContact SG-CB 3.49Å; C134-C149 CovalentContact SG-SG 2.03Å; C134-C149 PolarHBondContact SG-SG 2.93Å
135R86.8Confident88.9Confident140 Ų14069.8 Ų69.853%0.52840%0.402SS..  trans-71.6157.4175-67.3-68.5-177.5174.8-1.9110.7S137 Q138R135-S137 PolarHBondContact O-N 2.8Å; R135-Q138 HydrophobicContact CB-CG 4.41Å; R135-Q138 WeakPolarHBondContact O-CB 3.36Å; R135-Q138 PolarHBondContact O-N 2.89Å
136P84.4Confident89Confident142 Ų14269.5 Ų69.592%0.92241%0.405SS*.THydrogen-bonded Turntrans-58.8-17.6177.4-25.434.6000115.4
137S83.6Confident88.9Confident42 Ų4271.8 Ų71.829%0.29441%0.413SS..THydrogen-bonded Turntrans-92.64.9176.871.40000113.7R135 P152 C162R135-S137 PolarHBondContact O-N 2.8Å; S137-P152 VanDerWaalsContact O-CD 3.27Å; S137-P152 WeakPolarHBondContact O-CD 3.42Å; S137-C162 PolarHBondContact O-SG 2.83Å; S137-C162 VanDerWaalsContact O-SG 3.33Å
138Q89.6Confident88.9Confident22 Ų2275 Ų7510%0.10343%0.425CS..SBendtrans-117.5146.1-176.1-73.8169.8-200110C134 R135 C149 T150 P160 C162C134-Q138 HydrophobicContact CB-CB 4.29Å; R135-Q138 HydrophobicContact CB-CG 4.41Å; R135-Q138 WeakPolarHBondContact O-CB 3.36Å; R135-Q138 PolarHBondContact O-N 2.89Å; Q138-C149 HydrophobicContact CB-CB 4.27Å; Q138-C149 VanDerWaalsContact OE1-CB 3.31Å; Q138-T150 CarbonylContact C-O 3.58Å; Q138-T150 WeakPolarHBondContact CA-O 3.43Å; Q138-T150 VanDerWaalsContact CB-O 3.27Å; Q138-T150 WeakPolarHBondContact CB-O 3.36Å; Q138-P160 PolarHBondContact NE2-O 3.43Å; Q138-P160 VanDerWaalsContact NE2-O 3.07Å; Q138-C162 WeakPolarHBondContact CG-SG 3.26Å
139D90.6Very high88.9Confident74 Ų7472.6 Ų72.640%0.39640%0.403SS..EExtended strand (participates in β ladder)trans-90.3132.1172.2-64.8-36.5000109.1C149 T150 P152D139-C149 WeakPolarHBondContact O-CA 3.35Å; D139-T150 PolarHBondContact N-O 3.38Å; D139-T150 PolarHBondContact O-N 2.99Å; D139-T150 PolarHBondContact O-OG1 2.81Å; D139-P152 VanDerWaalsContact OD2-CA 3.28Å; D139-P152 WeakPolarHBondContact OD2-CA 3.44Å; D139-P152 WeakPolarHBondContact OD2-CB 3.39Å; D139-P152 WeakPolarHBondContact OD2-CG 3.27Å
140C91.8Very high89Confident30 Ų3070.2 Ų70.220%0.20339%0.394CS..EExtended strand (participates in β ladder)trans-89.1127.1175.1-174.80000109.1C127 H132C127-C140 WeakPolarHBondContact CA-SG 3.42Å; C127-C140 HydrophobicContact CB-CB 3.79Å; C127-C140 WeakPolarHBondContact CB-SG 3.03Å; C127-C140 WeakPolarHBondContact SG-CB 3.47Å; C127-C140 PolarHBondContact SG-O 2.84Å; C127-C140 CovalentContact SG-SG 2.04Å; C127-C140 PolarHBondContact SG-SG 2.83Å; H132-C140 VanDerWaalsContact CD2-SG 3.54Å
141H92.8Very high89.4Confident92 Ų9267.8 Ų67.843%0.42637%0.372SS..EExtended strand (participates in β ladder)trans-116.7119.8170.7-60.8-48.9000109.6C127 Y147 Q148 T150C127-H141 PolarHBondContact SG-N 3.32Å; H141-Y147 CarbonylContact O-C 3.25Å; H141-Y147 WeakPolarHBondContact O-CA 3.47Å; H141-Q148 PolarHBondContact N-O 3.5Å; H141-Q148 PolarHBondContact O-N 3.43Å; H141-T150 PolarHBondContact CD2-OG1 3.27Å; H141-T150 PolarHBondContact NE2-OG1 2.94Å
142N92.1Very high89.5Confident50 Ų5064.4 Ų64.427%0.26736%0.357SS..EExtended strand (participates in β ladder)trans-72.7136.1174.7-176.735000110.1D123 V124 E126 C127D123-N142 PolarHBondContact OD2-ND2 2.84Å; D123-N142 PolarHBondContact OD2-OD1 2.8Å; V124-N142 PolarHBondContact O-OD1 2.83Å; E126-N142 PolarHBondContact OE2-OD1 2.96Å; C127-N142 PolarHBondContact SG-N 3.23Å
143L91.4Very high89.7Confident69 Ų6969.3 Ų69.336%0.36139%0.385SS..EExtended strand (participates in β ladder)trans-129152.2177.5-57.3172.5000108.9G145 S146 Q148L143-G145 PolarHBondContact O-N 2.88Å; L143-S146 CarbonylContact C-O 3.54Å; L143-S146 VanDerWaalsContact C-O 3.25Å; L143-S146 WeakPolarHBondContact CA-O 3.42Å; L143-S146 WeakPolarHBondContact CB-O 3.31Å; L143-S146 PolarHBondContact N-O 2.87Å; L143-S146 CarbonylContact O-C 3.56Å; L143-S146 PolarHBondContact O-N 2.9Å; L143-Q148 HydrophobicContact CD1-CB 3.79Å; L143-Q148 HydrophobicContact CG-CB 4.49Å
144P90.9Very high89.7Confident108 Ų10863.6 Ų63.670%0.70136%0.36SS*.THydrogen-bonded Turntrans-57.8107.5177.6-26.135.3000112.7Y113 D123Y113-P144 VanDerWaalsContact OH-C 3.22Å; Y113-P144 WeakPolarHBondContact OH-CB 3.25Å; D123-P144 WeakPolarHBondContact OD1-CA 3.48Å
145G87.1Confident90Very high24 Ų2466.2 Ų66.225%0.24737%0.368CS..THydrogen-bonded Turntrans85.76-178.800000116.1Y113 D123 L143Y113-G145 PolarHBondContact OH-N 2.84Å; D123-G145 PolarHBondContact OD1-N 2.93Å; L143-G145 PolarHBondContact O-N 2.88Å
146S90.8Very high90.2Very high54 Ų5466.1 Ų66.138%0.37837%0.367SS..EExtended strand (participates in β ladder)trans-167.7175.217493.70000112.7E126 L143E126-S146 WeakPolarHBondContact OE1-CA 3.44Å; L143-S146 CarbonylContact C-O 3.54Å; L143-S146 VanDerWaalsContact C-O 3.25Å; L143-S146 WeakPolarHBondContact CA-O 3.42Å; L143-S146 WeakPolarHBondContact CB-O 3.31Å; L143-S146 PolarHBondContact N-O 2.87Å; L143-S146 CarbonylContact O-C 3.56Å; L143-S146 PolarHBondContact O-N 2.9Å
147Y91.8Very high90.4Very high65 Ų6565.4 Ų65.426%0.25535%0.35SS..EExtended strand (participates in β ladder)trans-115.9161.9167.263.6-81.1000112.7E126 H132 D133 H141E126-Y147 HydrophobicContact CB-CD1 3.78Å; E126-Y147 HydrophobicContact CB-CG 4.18Å; E126-Y147 HydrophobicContact CG-CD1 3.83Å; E126-Y147 WeakPolarHBondContact OE2-CB 3.45Å; H132-Y147 HydrophobicContact CB-CD1 4.37Å; H132-Y147 HydrophobicContact CB-CD2 3.64Å; H132-Y147 HydrophobicContact CB-CE1 4.36Å; H132-Y147 HydrophobicContact CB-CE2 3.63Å; H132-Y147 HydrophobicContact CB-CG 4.02Å; D133-Y147 WeakPolarHBondContact CB-OH 3.42Å; D133-Y147 PolarHBondContact N-OH 3.38Å; H141-Y147 CarbonylContact O-C 3.25Å; H141-Y147 WeakPolarHBondContact O-CA 3.47Å
148Q90.9Very high90.6Very high102 Ų10266.9 Ų66.948%0.47735%0.354SS..EExtended strand (participates in β ladder)trans-126.4130.8171.6-174.2179.150.500111H141 L143 T150H141-Q148 PolarHBondContact N-O 3.5Å; H141-Q148 PolarHBondContact O-N 3.43Å; L143-Q148 HydrophobicContact CD1-CB 3.79Å; L143-Q148 HydrophobicContact CG-CB 4.49Å; Q148-T150 HydrophobicContact CG-CG2 4.01Å
149C90.6Very high90.4Very high27 Ų2768.6 Ų68.618%0.18238%0.377CS..EExtended strand (participates in β ladder)trans-98112.3171.9-45.70000110.5C134 Q138 D139C134-C149 WeakPolarHBondContact CA-SG 3.27Å; C134-C149 HydrophobicContact CB-CB 3.68Å; C134-C149 WeakPolarHBondContact CB-SG 3.05Å; C134-C149 PolarHBondContact N-SG 2.86Å; C134-C149 WeakPolarHBondContact SG-CB 3.49Å; C134-C149 CovalentContact SG-SG 2.03Å; C134-C149 PolarHBondContact SG-SG 2.93Å; Q138-C149 HydrophobicContact CB-CB 4.27Å; Q138-C149 VanDerWaalsContact OE1-CB 3.31Å; D139-C149 WeakPolarHBondContact O-CA 3.35Å
150T91.4Very high89.9Confident38 Ų3868.6 Ų68.623%0.23338%0.381CS..EExtended strand (participates in β ladder)trans-108.1164.3177.453.60000110.2Q138 D139 H141 Q148Q138-T150 CarbonylContact C-O 3.58Å; Q138-T150 WeakPolarHBondContact CA-O 3.43Å; Q138-T150 VanDerWaalsContact CB-O 3.27Å; Q138-T150 WeakPolarHBondContact CB-O 3.36Å; D139-T150 PolarHBondContact N-O 3.38Å; D139-T150 PolarHBondContact O-N 2.99Å; D139-T150 PolarHBondContact O-OG1 2.81Å; H141-T150 PolarHBondContact CD2-OG1 3.27Å; H141-T150 PolarHBondContact NE2-OG1 2.94Å; Q148-T150 HydrophobicContact CG-CG2 4.01Å
151C92.3Very high89.6Confident24 Ų2471.7 Ų71.716%0.16239%0.393CS..PPolyproline II helixtrans-85.3147168.2-690000109.1C162C151-C162 WeakPolarHBondContact CA-SG 3.41Å; C151-C162 HydrophobicContact CB-CB 3.8Å; C151-C162 WeakPolarHBondContact CB-SG 3.42Å; C151-C162 VanDerWaalsContact SG-CA 3.54Å; C151-C162 WeakPolarHBondContact SG-CB 3.36Å; C151-C162 CovalentContact SG-SG 2.04Å; C151-C162 PolarHBondContact SG-SG 3.49Å
152P90.4Very high89.6Confident35 Ų3568.2 Ų68.223%0.22738%0.378CS..PPolyproline II helixtrans-54.3156.1171.2-22.430.4000111.9S137 D139 G154 Y155S137-P152 VanDerWaalsContact O-CD 3.27Å; S137-P152 WeakPolarHBondContact O-CD 3.42Å; D139-P152 VanDerWaalsContact OD2-CA 3.28Å; D139-P152 WeakPolarHBondContact OD2-CA 3.44Å; D139-P152 WeakPolarHBondContact OD2-CB 3.39Å; D139-P152 WeakPolarHBondContact OD2-CG 3.27Å; P152-G154 PolarHBondContact O-N 2.97Å; P152-Y155 HydrophobicContact CB-CD2 4.1Å; P152-Y155 WeakPolarHBondContact O-CB 3.23Å; P152-Y155 PolarHBondContact O-N 3.39Å
153D90.1Very high89.5Confident161 Ų16168.8 Ų68.886%0.86138%0.384SS*.THydrogen-bonded Turntrans-52.5135.3175.3-72.2-32.7000111.2
154G88.5Confident89.6Confident22 Ų2267.2 Ų67.223%0.22738%0.376CS..THydrogen-bonded Turntrans85.5-0.5-174.800000115P152 I165P152-G154 PolarHBondContact O-N 2.97Å; G154-I165 VanDerWaalsContact O-CB 3.29Å; G154-I165 WeakPolarHBondContact O-CB 3.45Å; G154-I165 WeakPolarHBondContact O-CG1 3.27Å; G154-I165 PolarHBondContact O-N 2.75Å
155Y92.3Very high89.7Confident70 Ų7064.6 Ų64.628%0.27536%0.355SS..EExtended strand (participates in β ladder)trans-117.1147.2176.3-65.7-103.6000111.9P152 C162 D164 P181 G182P152-Y155 HydrophobicContact CB-CD2 4.1Å; P152-Y155 WeakPolarHBondContact O-CB 3.23Å; P152-Y155 PolarHBondContact O-N 3.39Å; Y155-C162 HydrophobicContact CD1-CB 4.47Å; Y155-D164 HydrophobicContact CD1-CB 4.12Å; Y155-D164 VanDerWaalsContact CD1-N 3.31Å; Y155-D164 HydrophobicContact CE1-CB 3.85Å; Y155-P181 VanDerWaalsContact OH-C 3.29Å; Y155-P181 WeakPolarHBondContact OH-CA 3.2Å; Y155-P181 VanDerWaalsContact OH-CB 3.25Å; Y155-P181 WeakPolarHBondContact OH-CB 3.35Å; Y155-G182 PolarHBondContact OH-N 3.19Å
156R90.3Very high90Very high138 Ų13866.8 Ų66.852%0.52136%0.361SS..EExtended strand (participates in β ladder)trans-116.2145.7173.666.3-178.8-178.499.70.2111.2I158 V163 I165R156-I158 HydrophobicContact CG-CG1 4.3Å; R156-I158 VanDerWaalsContact NH1-CG1 3.27Å; R156-I158 PolarHBondContact O-N 3.3Å; R156-V163 PolarHBondContact N-O 2.04Å; R156-V163 PolarHBondContact O-N 3.13Å; R156-I165 HydrophobicContact CB-CD1 4.15Å; R156-I165 HydrophobicContact CB-CG1 3.84Å; R156-I165 HydrophobicContact CG-CG1 3.95Å
157K89.1Confident90Very high126 Ų12665.4 Ų65.455%0.54835%0.349SS..EExtended strand (participates in β ladder)trans-77.2119.9177.8-165.7169.3-174.5168.60110.7G159K157-G159 WeakPolarHBondContact CG-O 3.49Å
158I87.3Confident90Very high73 Ų7363.8 Ų63.837%0.37435%0.347SS..EExtended strand (participates in β ladder)trans-122.3101.9171.1-52.8176.2000107.9R156 E161 V163R156-I158 HydrophobicContact CG-CG1 4.3Å; R156-I158 VanDerWaalsContact NH1-CG1 3.27Å; R156-I158 PolarHBondContact O-N 3.3Å; I158-E161 PolarHBondContact N-O 3.37Å; I158-E161 PolarHBondContact O-N 3.05Å; I158-V163 HydrophobicContact CB-CG2 4.31Å; I158-V163 HydrophobicContact CD1-CB 3.76Å; I158-V163 HydrophobicContact CD1-CG1 4.16Å; I158-V163 HydrophobicContact CD1-CG2 3.83Å; I158-V163 HydrophobicContact CG1-CB 4.3Å; I158-V163 HydrophobicContact CG1-CG2 4.26Å
159G85.1Confident89.9Confident58 Ų5868.7 Ų68.760%0.59836%0.361SS*.THydrogen-bonded Turntrans64.6-128.6-170.300000110.7K157K157-G159 WeakPolarHBondContact CG-O 3.49Å
160P81.3Confident89.7Confident75 Ų7575 Ų7549%0.48738%0.382SS..THydrogen-bonded Turntrans-86.1-10.3178.933.8-33000114.7Q138Q138-P160 PolarHBondContact NE2-O 3.43Å; Q138-P160 VanDerWaalsContact NE2-O 3.07Å
161E86.3Confident89.2Confident95 Ų9584.1 Ų84.144%0.44441%0.412SS..EExtended strand (participates in β ladder)trans-104149.9-172.4-61.7-60.4146.300112.3I158I158-E161 PolarHBondContact N-O 3.37Å; I158-E161 PolarHBondContact O-N 3.05Å
162C91Very high88.9Confident18 Ų1888.4 Ų88.412%0.12243%0.426CS..EExtended strand (participates in β ladder)trans-92.3118169.2-66.20000109.3S137 Q138 C151 Y155S137-C162 PolarHBondContact O-SG 2.83Å; S137-C162 VanDerWaalsContact O-SG 3.33Å; Q138-C162 WeakPolarHBondContact CG-SG 3.26Å; C151-C162 WeakPolarHBondContact CA-SG 3.41Å; C151-C162 HydrophobicContact CB-CB 3.8Å; C151-C162 WeakPolarHBondContact CB-SG 3.42Å; C151-C162 VanDerWaalsContact SG-CA 3.54Å; C151-C162 WeakPolarHBondContact SG-CB 3.36Å; C151-C162 CovalentContact SG-SG 2.04Å; C151-C162 PolarHBondContact SG-SG 3.49Å; Y155-C162 HydrophobicContact CD1-CB 4.47Å
163V91Very high88.9Confident63 Ų6387.4 Ų87.438%0.38242%0.42SS..EExtended strand (participates in β ladder)trans-112.6134.3179.6-1780000108.4R156 I158R156-V163 PolarHBondContact N-O 2.04Å; R156-V163 PolarHBondContact O-N 3.13Å; I158-V163 HydrophobicContact CB-CG2 4.31Å; I158-V163 HydrophobicContact CD1-CB 3.76Å; I158-V163 HydrophobicContact CD1-CG1 4.16Å; I158-V163 HydrophobicContact CD1-CG2 3.83Å; I158-V163 HydrophobicContact CG1-CB 4.3Å; I158-V163 HydrophobicContact CG1-CG2 4.26Å
164D93.6Very high89Confident35 Ų3584.1 Ų84.119%0.18740%0.399CS..EExtended strand (participates in β ladder)trans-51.3135.9177.3-17660.5000111.8Y155 D166 N179 G182Y155-D164 HydrophobicContact CD1-CB 4.12Å; Y155-D164 VanDerWaalsContact CD1-N 3.31Å; Y155-D164 HydrophobicContact CE1-CB 3.85Å; D164-D166 PolarHBondContact O-N 3.39Å; D164-N179 PolarHBondContact OD2-ND2 3.09Å; D164-G182 PolarHBondContact OD1-N 3.02Å
165I93.2Very high89.2Confident53 Ų5385.7 Ų85.727%0.27240%0.4SS..  trans-82.8111.1175.3-63168.7000107.1G154 R156 E167G154-I165 VanDerWaalsContact O-CB 3.29Å; G154-I165 WeakPolarHBondContact O-CB 3.45Å; G154-I165 WeakPolarHBondContact O-CG1 3.27Å; G154-I165 PolarHBondContact O-N 2.75Å; R156-I165 HydrophobicContact CB-CD1 4.15Å; R156-I165 HydrophobicContact CB-CG1 3.84Å; R156-I165 HydrophobicContact CG-CG1 3.95Å; I165-E167 HydrophobicContact CG2-CG 4.24Å; I165-E167 PolarHBondContact O-N 3.33Å
166D91.9Very high89.2Confident70 Ų7089.8 Ų89.837%0.37442%0.415SS..  trans-72.789.9173.2-1790000110.6D164 C168 R169 N179D164-D166 PolarHBondContact O-N 3.39Å; D166-C168 PolarHBondContact O-N 3.31Å; D166-C168 VanDerWaalsContact OD1-CB 3.27Å; D166-C168 WeakPolarHBondContact OD1-CB 3.33Å; D166-C168 PolarHBondContact OD1-N 3.4Å; D166-C168 VanDerWaalsContact OD1-N 3.11Å; D166-R169 WeakPolarHBondContact O-CB 3.42Å; D166-R169 PolarHBondContact O-N 3.44Å; D166-R169 PolarHBondContact OD1-N 2.93Å; D166-N179 WeakPolarHBondContact CA-OD1 3.46Å
167E92Very high89.4Confident25 Ų2584.8 Ų84.812%0.11740%0.401CS..G310 helixtrans-66.1-25.5179.9-56.594.9158.100111.3I165 R169 Y170 Y172 N179 F184I165-E167 HydrophobicContact CG2-CG 4.24Å; I165-E167 PolarHBondContact O-N 3.33Å; E167-R169 PolarHBondContact O-N 2.79Å; E167-R169 VanDerWaalsContact O-N 3.08Å; E167-Y170 PolarHBondContact O-N 3.36Å; E167-Y172 HydrophobicContact CB-CD2 3.87Å; E167-Y172 HydrophobicContact CB-CE2 4.24Å; E167-Y172 VanDerWaalsContact O-CD2 3.25Å; E167-Y172 WeakPolarHBondContact O-CD2 3.39Å; E167-N179 PolarHBondContact OE2-OD1 2.79Å; E167-F184 HydrophobicContact CB-CB 4.18Å; E167-F184 HydrophobicContact CB-CD1 3.58Å; E167-F184 HydrophobicContact CB-CE1 4.21Å; E167-F184 HydrophobicContact CB-CG 3.86Å; E167-F184 HydrophobicContact CG-CD1 3.66Å; E167-F184 HydrophobicContact CG-CE1 4.24Å; E167-F184 HydrophobicContact CG-CG 4.38Å; E167-F184 WeakPolarHBondContact OE2-CB 3.5Å
168C91.3Very high89.6Confident32 Ų3280.5 Ų80.522%0.21639%0.385CS..G310 helixtrans-62.7-21.4179.5-62.40000113.4D166 Y170 R171 C177 V178 N179D166-C168 PolarHBondContact O-N 3.31Å; D166-C168 VanDerWaalsContact OD1-CB 3.27Å; D166-C168 WeakPolarHBondContact OD1-CB 3.33Å; D166-C168 PolarHBondContact OD1-N 3.4Å; D166-C168 VanDerWaalsContact OD1-N 3.11Å; C168-Y170 PolarHBondContact O-N 2.86Å; C168-R171 PolarHBondContact O-N 3.02Å; C168-C177 WeakPolarHBondContact CA-SG 3.38Å; C168-C177 HydrophobicContact CB-CB 3.59Å; C168-C177 WeakPolarHBondContact CB-SG 3.31Å; C168-C177 WeakPolarHBondContact SG-CB 3.09Å; C168-C177 CovalentContact SG-SG 2.03Å; C168-C177 PolarHBondContact SG-SG 2.87Å; C168-V178 VanDerWaalsContact SG-C 3.52Å; C168-V178 PolarHBondContact SG-N 2.91Å; C168-N179 PolarHBondContact SG-N 3.11Å
169R89.2Confident90Very high205 Ų20579.6 Ų79.677%0.77438%0.382SS*.G310 helixtrans-65.6-17.6174.5-163.1164.1-179.2142.4-1.3113.8D166 E167D166-R169 WeakPolarHBondContact O-CB 3.42Å; D166-R169 PolarHBondContact O-N 3.44Å; D166-R169 PolarHBondContact OD1-N 2.93Å; E167-R169 PolarHBondContact O-N 2.79Å; E167-R169 VanDerWaalsContact O-N 3.08Å
170Y86.3Confident90.4Very high158 Ų15879.1 Ų79.162%0.6237%0.365SS*.G310 helixtrans-104.713.2-176.2-58.8-84.7000114E167 C168 Y172E167-Y170 PolarHBondContact O-N 3.36Å; C168-Y170 PolarHBondContact O-N 2.86Å; Y170-Y172 VanDerWaalsContact C-N 3.32Å; Y170-Y172 VanDerWaalsContact CB-CE2 3.5Å; Y170-Y172 HydrophobicContact CD2-CE2 4.27Å; Y170-Y172 HydrophobicContact CG-CE2 4.14Å; Y170-Y172 PolarHBondContact O-N 2.98Å
171R81.9Confident90.9Very high231 Ų23180.6 Ų80.687%0.87238%0.375SS*.THydrogen-bonded Turntrans53.642.7178.1-64-171.4171.7-176.4-2.5114.2C168 C173C168-R171 PolarHBondContact O-N 3.02Å; R171-C173 PolarHBondContact O-N 3.16Å
172Y85.6Confident91.1Very high113 Ų11377.2 Ų77.244%0.44337%0.365SS..  trans-71.2-12.2179.6-84.3-63000115.6E167 Y170 R199E167-Y172 HydrophobicContact CB-CD2 3.87Å; E167-Y172 HydrophobicContact CB-CE2 4.24Å; E167-Y172 VanDerWaalsContact O-CD2 3.25Å; E167-Y172 WeakPolarHBondContact O-CD2 3.39Å; Y170-Y172 VanDerWaalsContact C-N 3.32Å; Y170-Y172 VanDerWaalsContact CB-CE2 3.5Å; Y170-Y172 HydrophobicContact CD2-CE2 4.27Å; Y170-Y172 HydrophobicContact CG-CE2 4.14Å; Y170-Y172 PolarHBondContact O-N 2.98Å; Y172-R199 VanDerWaalsContact CG-NH1 3.33Å
173C90.8Very high91.2Very high15 Ų1578.8 Ų78.810%0.10138%0.376CS..SBendtrans-111.2144.6179-58.20000110.8R171 C177 C186R171-C173 PolarHBondContact O-N 3.16Å; C173-C177 HydrophobicContact CB-CB 3.97Å; C173-C177 WeakPolarHBondContact SG-CB 3.3Å; C173-C186 WeakPolarHBondContact CA-SG 3.17Å; C173-C186 HydrophobicContact CB-CB 3.65Å; C173-C186 WeakPolarHBondContact CB-SG 3.31Å; C173-C186 WeakPolarHBondContact SG-CA 3.28Å; C173-C186 WeakPolarHBondContact SG-CB 3.34Å; C173-C186 CovalentContact SG-SG 2.02Å; C173-C186 PolarHBondContact SG-SG 2.99Å
174Q91.3Very high91.3Very high92 Ų9278 Ų7843%0.4337%0.368SS..SBendtrans-67.3-43.2175.4-178.7179-22.400112.4R199 S200 C201Q174-R199 PolarHBondContact N-O 2.91Å; Q174-S200 VanDerWaalsContact OE1-CA 3.31Å; Q174-C201 PolarHBondContact NE2-O 3.37Å; Q174-C201 PolarHBondContact OE1-O 2.89Å
175H91.8Very high91.3Very high55 Ų5582.8 Ų82.826%0.25538%0.383SS..SBendtrans-106.6-117.3177.3-65.8167.3000110.1Q187 E189 F192 C201H175-Q187 WeakPolarHBondContact CB-O 3.48Å; H175-E189 HydrophobicContact CB-CG 4.31Å; H175-E189 PolarHBondContact ND1-N 3.19Å; H175-F192 AromaticContact CE1-CD1 3.92Å; H175-F192 AromaticContact CE1-CD2 3.78Å; H175-F192 AromaticContact CE1-CG 3.67Å; H175-C201 VanDerWaalsContact CE1-CB 3.42Å; H175-C201 WeakPolarHBondContact CE1-CB 3.4Å; H175-C201 VanDerWaalsContact ND1-CB 3.34Å; H175-C201 WeakPolarHBondContact ND1-CB 3.42Å; H175-C201 PolarHBondContact ND1-SG 3.4Å
176R92.8Very high91.3Very high155 Ų15580.8 Ų80.859%0.58537%0.374SS*.EExtended strand (participates in β ladder)trans-87.7134.3-174.7-176.6176.9-178.2178.40.1111.1C186 Q187R176-C186 CarbonylContact O-C 3.57Å; R176-C186 WeakPolarHBondContact O-CA 3.4Å; R176-Q187 HydrophobicContact CB-CB 4.22Å; R176-Q187 PolarHBondContact N-O 2.9Å; R176-Q187 PolarHBondContact O-N 3.5Å
177C94.5Very high91.4Very high33 Ų3380.8 Ų80.822%0.22337%0.372CS..EExtended strand (participates in β ladder)trans-106.1138.7171.3-172.80000110.4C168 C173C168-C177 WeakPolarHBondContact CA-SG 3.38Å; C168-C177 HydrophobicContact CB-CB 3.59Å; C168-C177 WeakPolarHBondContact CB-SG 3.31Å; C168-C177 WeakPolarHBondContact SG-CB 3.09Å; C168-C177 CovalentContact SG-SG 2.03Å; C168-C177 PolarHBondContact SG-SG 2.87Å; C173-C177 HydrophobicContact CB-CB 3.97Å; C173-C177 WeakPolarHBondContact SG-CB 3.3Å
178V94.2Very high91.6Very high36 Ų3681.2 Ų81.222%0.21838%0.377CS..EExtended strand (participates in β ladder)trans-123.7114.9173.7-178.80000108.5C168 L180 F184 R185 Q187C168-V178 VanDerWaalsContact SG-C 3.52Å; C168-V178 PolarHBondContact SG-N 2.91Å; V178-L180 HydrophobicContact CG1-CD2 4.26Å; V178-F184 WeakPolarHBondContact O-CA 3.4Å; V178-R185 HydrophobicContact CB-CG 4.08Å; V178-R185 PolarHBondContact N-O 2.97Å; V178-R185 PolarHBondContact O-N 2.76Å; V178-Q187 HydrophobicContact CG2-CG 4.31Å
179N94.2Very high91.7Very high55 Ų5584.5 Ų84.529%0.29439%0.389SS..EExtended strand (participates in β ladder)trans-73.5135.5176.3-165.451.2000110.2D164 D166 E167 C168D164-N179 PolarHBondContact OD2-ND2 3.09Å; D166-N179 WeakPolarHBondContact CA-OD1 3.46Å; E167-N179 PolarHBondContact OE2-OD1 2.79Å; C168-N179 PolarHBondContact SG-N 3.11Å
180L94.1Very high91.8Very high48 Ų4880 Ų8025%0.25139%0.386SS..EExtended strand (participates in β ladder)trans-127.8156.5179-59.3174.6000108.7V178 G182 S183 R185V178-L180 HydrophobicContact CG1-CD2 4.26Å; L180-G182 PolarHBondContact O-N 3.01Å; L180-S183 CarbonylContact C-O 3.5Å; L180-S183 VanDerWaalsContact C-O 3.28Å; L180-S183 VanDerWaalsContact CA-O 3.28Å; L180-S183 WeakPolarHBondContact CA-O 3.43Å; L180-S183 WeakPolarHBondContact CB-O 3.38Å; L180-S183 PolarHBondContact N-O 3.4Å; L180-S183 PolarHBondContact O-N 3.22Å; L180-S183 VanDerWaalsContact O-N 3.14Å; L180-R185 HydrophobicContact CD1-CB 4.42Å; L180-R185 HydrophobicContact CD1-CG 3.98Å
181P92.9Very high92Very high106 Ų10673.4 Ų73.469%0.68837%0.367SS*.THydrogen-bonded Turntrans-59.5117.4174-22.834.1000111.3Y155 S183Y155-P181 VanDerWaalsContact OH-C 3.29Å; Y155-P181 WeakPolarHBondContact OH-CA 3.2Å; Y155-P181 VanDerWaalsContact OH-CB 3.25Å; Y155-P181 WeakPolarHBondContact OH-CB 3.35Å; P181-S183 VanDerWaalsContact C-N 3.3Å; P181-S183 PolarHBondContact O-N 3.01Å
182G89.8Confident92.6Very high23 Ų2363.9 Ų63.924%0.23733%0.332CS..THydrogen-bonded Turntrans75.46.3-179.900000115.6Y155 D164 L180Y155-G182 PolarHBondContact OH-N 3.19Å; D164-G182 PolarHBondContact OD1-N 3.02Å; L180-G182 PolarHBondContact O-N 3.01Å
183S92.8Very high93Very high52 Ų5263.1 Ų63.136%0.36433%0.332SS..EExtended strand (participates in β ladder)trans-165.2179.1-178.861.40000112.5L180 P181L180-S183 CarbonylContact C-O 3.5Å; L180-S183 VanDerWaalsContact C-O 3.28Å; L180-S183 VanDerWaalsContact CA-O 3.28Å; L180-S183 WeakPolarHBondContact CA-O 3.43Å; L180-S183 WeakPolarHBondContact CB-O 3.38Å; L180-S183 PolarHBondContact N-O 3.4Å; L180-S183 PolarHBondContact O-N 3.22Å; L180-S183 VanDerWaalsContact O-N 3.14Å; P181-S183 VanDerWaalsContact C-N 3.3Å; P181-S183 PolarHBondContact O-N 3.01Å
184F93.3Very high93.2Very high45 Ų4565.8 Ų65.820%0.19735%0.345CS..EExtended strand (participates in β ladder)trans-136.7163.616968.9-73000110.4E167 V178E167-F184 HydrophobicContact CB-CB 4.18Å; E167-F184 HydrophobicContact CB-CD1 3.58Å; E167-F184 HydrophobicContact CB-CE1 4.21Å; E167-F184 HydrophobicContact CB-CG 3.86Å; E167-F184 HydrophobicContact CG-CD1 3.66Å; E167-F184 HydrophobicContact CG-CE1 4.24Å; E167-F184 HydrophobicContact CG-CG 4.38Å; E167-F184 WeakPolarHBondContact OE2-CB 3.5Å; V178-F184 WeakPolarHBondContact O-CA 3.4Å
185R92.7Very high93.2Very high136 Ų13661.6 Ų61.651%0.51333%0.326SS..EExtended strand (participates in β ladder)trans-134143.6167.263.1177.5156.4-174.3-11112.1V178 L180V178-R185 HydrophobicContact CB-CG 4.08Å; V178-R185 PolarHBondContact N-O 2.97Å; V178-R185 PolarHBondContact O-N 2.76Å; L180-R185 HydrophobicContact CD1-CB 4.42Å; L180-R185 HydrophobicContact CD1-CG 3.98Å
186C94.6Very high93.1Very high11 Ų1165.5 Ų65.57%0.07436%0.357CS..EExtended strand (participates in β ladder)trans-90.1141.9172.1-56.30000110.5C173 R176 L194 N198C173-C186 WeakPolarHBondContact CA-SG 3.17Å; C173-C186 HydrophobicContact CB-CB 3.65Å; C173-C186 WeakPolarHBondContact CB-SG 3.31Å; C173-C186 WeakPolarHBondContact SG-CA 3.28Å; C173-C186 WeakPolarHBondContact SG-CB 3.34Å; C173-C186 CovalentContact SG-SG 2.02Å; C173-C186 PolarHBondContact SG-SG 2.99Å; R176-C186 CarbonylContact O-C 3.57Å; R176-C186 WeakPolarHBondContact O-CA 3.4Å; C186-L194 HydrophobicContact CB-CD1 3.9Å; C186-N198 WeakPolarHBondContact CB-O 3.44Å; C186-N198 PolarHBondContact SG-O 3.48Å
187Q94.3Very high93Very high71 Ų7162 Ų6233%0.33235%0.349SS..EExtended strand (participates in β ladder)trans-125.1134.1175.2-68.3-178.6-7.600108.7H175 R176 V178H175-Q187 WeakPolarHBondContact CB-O 3.48Å; R176-Q187 HydrophobicContact CB-CB 4.22Å; R176-Q187 PolarHBondContact N-O 2.9Å; R176-Q187 PolarHBondContact O-N 3.5Å; V178-Q187 HydrophobicContact CG2-CG 4.31Å
188C94.6Very high92.7Very high33 Ų3365.6 Ų65.622%0.22337%0.367CS..PPolyproline II helixtrans-91.3146177.3-60.50000110.6F192 C201C188-F192 HydrophobicContact CB-CB 3.75Å; C188-C201 WeakPolarHBondContact CA-SG 3.49Å; C188-C201 HydrophobicContact CB-CB 3.81Å; C188-C201 WeakPolarHBondContact CB-SG 3.43Å; C188-C201 VanDerWaalsContact SG-CA 3.52Å; C188-C201 WeakPolarHBondContact SG-CB 3.45Å; C188-C201 CovalentContact SG-SG 2.04Å; C188-C201 PolarHBondContact SG-SG 2.86Å
189E94.1Very high92.5Very high102 Ų10268.4 Ų68.448%0.47737%0.373SS..PPolyproline II helixtrans-60.2160.1168.6-63.3-60159.300111.3H175 F192H175-E189 HydrophobicContact CB-CG 4.31Å; H175-E189 PolarHBondContact ND1-N 3.19Å; E189-F192 HydrophobicContact CB-CD2 4.25Å; E189-F192 WeakPolarHBondContact O-CB 3.39Å; E189-F192 PolarHBondContact O-N 2.96Å
190P91.4Very high92.4Very high109 Ų10967.8 Ų67.871%0.70837%0.373SS*.THydrogen-bonded Turntrans-53.1142.2174.6-24.634.5000112.1F192P190-F192 VanDerWaalsContact C-N 3.32Å; P190-F192 WeakPolarHBondContact O-CD2 3.5Å
191G90.6Very high92.4Very high21 Ų2165.8 Ų65.822%0.21636%0.363CS..THydrogen-bonded Turntrans84.52.5-173.800000114.1V204G191-V204 WeakPolarHBondContact O-CB 3.48Å; G191-V204 PolarHBondContact O-N 2.75Å
192F94.6Very high92.5Very high30 Ų3063.7 Ų63.713%0.13235%0.348CS..EExtended strand (participates in β ladder)trans-130.2149.6178.2-61.3-91.2000111.8H175 C188 E189 P190 C201 V202 D203 Y221H175-F192 AromaticContact CE1-CD1 3.92Å; H175-F192 AromaticContact CE1-CD2 3.78Å; H175-F192 AromaticContact CE1-CG 3.67Å; C188-F192 HydrophobicContact CB-CB 3.75Å; E189-F192 HydrophobicContact CB-CD2 4.25Å; E189-F192 WeakPolarHBondContact O-CB 3.39Å; E189-F192 PolarHBondContact O-N 2.96Å; P190-F192 VanDerWaalsContact C-N 3.32Å; P190-F192 WeakPolarHBondContact O-CD2 3.5Å; F192-C201 HydrophobicContact CB-CB 4.1Å; F192-V202 CarbonylContact C-O 3.22Å; F192-V202 VanDerWaalsContact CA-O 3.31Å; F192-V202 WeakPolarHBondContact CA-O 3.35Å; F192-D203 HydrophobicContact CD1-CB 4.23Å; F192-D203 HydrophobicContact CE1-CB 4.02Å; F192-Y221 HydrophobicContact CE1-CD1 4.14Å; F192-Y221 HydrophobicContact CE1-CD2 4.06Å; F192-Y221 AromaticContact CE1-CE1 3.68Å; F192-Y221 HydrophobicContact CE1-CE1 3.68Å; F192-Y221 AromaticContact CE1-CE2 3.61Å; F192-Y221 HydrophobicContact CE1-CE2 3.61Å; F192-Y221 HydrophobicContact CE1-CG 4.31Å; F192-Y221 AromaticContact CE1-CZ 3.38Å; F192-Y221 HydrophobicContact CE2-CE1 4.41Å; F192-Y221 AromaticContact CZ-CD1 3.62Å; F192-Y221 HydrophobicContact CZ-CD1 3.62Å; F192-Y221 HydrophobicContact CZ-CD2 4.34Å; F192-Y221 AromaticContact CZ-CE1 3.31Å; F192-Y221 HydrophobicContact CZ-CE1 3.31Å; F192-Y221 HydrophobicContact CZ-CE2 4.1Å; F192-Y221 HydrophobicContact CZ-CG 4.12Å; F192-Y221 AromaticContact CZ-CZ 3.57Å
193Q93.9Very high92.7Very high97 Ų9764.6 Ų64.645%0.45335%0.348SS..EExtended strand (participates in β ladder)trans-120.6154.3174.665.2-178.114.200111G195 C201 V202 V204Q193-G195 PolarHBondContact O-N 3.39Å; Q193-C201 WeakPolarHBondContact O-CA 3.3Å; Q193-V202 HydrophobicContact CG-CG2 3.44Å; Q193-V202 VanDerWaalsContact CG-CG2 3.44Å; Q193-V202 PolarHBondContact N-O 2.83Å; Q193-V202 PolarHBondContact O-N 3.44Å; Q193-V204 HydrophobicContact CB-CG2 3.78Å; Q193-V204 HydrophobicContact CG-CG2 3.84Å
194L94.7Very high92.8Very high72 Ų7263 Ų6338%0.37734%0.336SS..EExtended strand (participates in β ladder)trans-70.4127.3-178.5-162.170000109.9C186 N198C186-L194 HydrophobicContact CB-CD1 3.9Å; L194-N198 HydrophobicContact CD2-CB 3.96Å
195G91Very high92.9Very high3 Ų363 Ų633%0.03134%0.338CS..  trans-72.5172.5177.700000112.9Q193 N197 N198 S200Q193-G195 PolarHBondContact O-N 3.39Å; G195-N197 PolarHBondContact O-N 2.94Å; G195-N197 VanDerWaalsContact O-N 3.08Å; G195-N198 PolarHBondContact O-N 2.84Å; G195-S200 PolarHBondContact N-O 2.86Å
196P91Very high93Very high138 Ų13858.1 Ų58.190%0.89632%0.321SS*.THydrogen-bonded Turntrans-63.3-20.4-173.824.5-34.2000114.3N198P196-N198 VanDerWaalsContact C-N 3.28Å
197N89.4Confident93Very high80 Ų8059.2 Ų59.243%0.42833%0.328SS..THydrogen-bonded Turntrans-853.6176.566.5-2.8000113.7G195 R199 S200G195-N197 PolarHBondContact O-N 2.94Å; G195-N197 VanDerWaalsContact O-N 3.08Å; N197-R199 WeakPolarHBondContact O-CG 3.23Å; N197-R199 PolarHBondContact O-N 3.18Å; N197-R199 PolarHBondContact OD1-N 3.02Å; N197-S200 PolarHBondContact ND2-OG 3.38Å; N197-S200 WeakPolarHBondContact OD1-CB 3.37Å; N197-S200 PolarHBondContact OD1-N 2.81Å
198N89.3Confident93Very high110 Ų11062.2 Ų62.259%0.58835%0.346SS*.SBendtrans54.420-175.3-71.5-12000115.3C186 L194 G195 P196C186-N198 WeakPolarHBondContact CB-O 3.44Å; C186-N198 PolarHBondContact SG-O 3.48Å; L194-N198 HydrophobicContact CD2-CB 3.96Å; G195-N198 PolarHBondContact O-N 2.84Å; P196-N198 VanDerWaalsContact C-N 3.28Å
199R89.4Confident92.8Very high94 Ų9466.8 Ų66.836%0.35537%0.366SS..SBendtrans-133.4-36.8-173.2-69.2167.1-177-97.67.6113.5Y172 Q174 N197Y172-R199 VanDerWaalsContact CG-NH1 3.33Å; Q174-R199 PolarHBondContact N-O 2.91Å; N197-R199 WeakPolarHBondContact O-CG 3.23Å; N197-R199 PolarHBondContact O-N 3.18Å; N197-R199 PolarHBondContact OD1-N 3.02Å
200S92.6Very high92.6Very high42 Ų4265 Ų6529%0.29438%0.375SS..  trans-87.8152176.8-61.50000110.7Q174 G195 N197Q174-S200 VanDerWaalsContact OE1-CA 3.31Å; G195-S200 PolarHBondContact N-O 2.86Å; N197-S200 PolarHBondContact ND2-OG 3.38Å; N197-S200 WeakPolarHBondContact OD1-CB 3.37Å; N197-S200 PolarHBondContact OD1-N 2.81Å
201C94.2Very high92.6Very high7 Ų760.7 Ų60.75%0.04735%0.349CS..EExtended strand (participates in β ladder)trans-113.3121.1175.9-68.10000108.4Q174 H175 C188 F192 Q193Q174-C201 PolarHBondContact NE2-O 3.37Å; Q174-C201 PolarHBondContact OE1-O 2.89Å; H175-C201 VanDerWaalsContact CE1-CB 3.42Å; H175-C201 WeakPolarHBondContact CE1-CB 3.4Å; H175-C201 VanDerWaalsContact ND1-CB 3.34Å; H175-C201 WeakPolarHBondContact ND1-CB 3.42Å; H175-C201 PolarHBondContact ND1-SG 3.4Å; C188-C201 WeakPolarHBondContact CA-SG 3.49Å; C188-C201 HydrophobicContact CB-CB 3.81Å; C188-C201 WeakPolarHBondContact CB-SG 3.43Å; C188-C201 VanDerWaalsContact SG-CA 3.52Å; C188-C201 WeakPolarHBondContact SG-CB 3.45Å; C188-C201 CovalentContact SG-SG 2.04Å; C188-C201 PolarHBondContact SG-SG 2.86Å; F192-C201 HydrophobicContact CB-CB 4.1Å; Q193-C201 WeakPolarHBondContact O-CA 3.3Å
202V93.9Very high92.7Very high61 Ų6163.8 Ų63.837%0.3737%0.365SS..EExtended strand (participates in β ladder)trans-101139176.7-58.50000108.8F192 Q193F192-V202 CarbonylContact C-O 3.22Å; F192-V202 VanDerWaalsContact CA-O 3.31Å; F192-V202 WeakPolarHBondContact CA-O 3.35Å; Q193-V202 HydrophobicContact CG-CG2 3.44Å; Q193-V202 VanDerWaalsContact CG-CG2 3.44Å; Q193-V202 PolarHBondContact N-O 2.83Å; Q193-V202 PolarHBondContact O-N 3.44Å
203D95.3Very high92.7Very high43 Ų4363.4 Ų63.423%0.2337%0.366CS..EExtended strand (participates in β ladder)trans-58.6135.2177.6-172.961000110.5F192 N219 G222F192-D203 HydrophobicContact CD1-CB 4.23Å; F192-D203 HydrophobicContact CE1-CB 4.02Å; D203-N219 PolarHBondContact OD2-ND2 2.82Å; D203-G222 PolarHBondContact OD1-N 3.48Å
204V94.8Very high92.7Very high19 Ų1964.1 Ų64.112%0.11537%0.369CS..PPolyproline II helixtrans-86.6119174.9170.60000107.4G191 Q193 E206 M209 N219G191-V204 WeakPolarHBondContact O-CB 3.48Å; G191-V204 PolarHBondContact O-N 2.75Å; Q193-V204 HydrophobicContact CB-CG2 3.78Å; Q193-V204 HydrophobicContact CG-CG2 3.84Å; V204-E206 HydrophobicContact CG1-CG 4.35Å; V204-E206 PolarHBondContact O-N 3.41Å; V204-E206 VanDerWaalsContact O-OE2 3.07Å; V204-M209 HydrophobicContact CG1-CE 3.48Å; V204-M209 VanDerWaalsContact CG1-CE 3.48Å; V204-M209 HydrophobicContact CG1-SD 3.5Å; V204-M209 VanDerWaalsContact CG1-SD 3.5Å; V204-N219 PolarHBondContact O-OD1 3.25Å
205N94.8Very high92.7Very high45 Ų4562.9 Ų62.924%0.24136%0.361CS..  trans-77.494.5172.7-173.3-8.5000110.2C207 D208 M209 N219N205-C207 PolarHBondContact O-N 2.98Å; N205-C207 VanDerWaalsContact OD1-CB 3.22Å; N205-C207 WeakPolarHBondContact OD1-CB 3.33Å; N205-C207 PolarHBondContact OD1-N 3.07Å; N205-D208 HydrophobicContact CB-CB 4.33Å; N205-D208 PolarHBondContact ND2-OD1 2.96Å; N205-D208 PolarHBondContact ND2-OD2 3.35Å; N205-D208 PolarHBondContact O-N 3.07Å; N205-D208 PolarHBondContact OD1-N 3.25Å; N205-M209 PolarHBondContact O-N 2.04Å; N205-N219 WeakPolarHBondContact OD1-CB 3.37Å
206E94.8Very high92.9Very high33 Ų3368.4 Ų68.415%0.15438%0.381CS..THydrogen-bonded Turntrans-65.7-22.9-180-58.690.516800112.4V204 M209 G210 A211 N219 F224V204-E206 HydrophobicContact CG1-CG 4.35Å; V204-E206 PolarHBondContact O-N 3.41Å; V204-E206 VanDerWaalsContact O-OE2 3.07Å; E206-M209 CarbonylContact O-C 3.48Å; E206-M209 PolarHBondContact O-N 2.8Å; E206-G210 PolarHBondContact O-N 3.12Å; E206-A211 HydrophobicContact CB-CB 4.46Å; E206-A211 WeakPolarHBondContact O-CB 3.48Å; E206-A211 PolarHBondContact O-N 2.7Å; E206-N219 PolarHBondContact OE2-OD1 2.8Å; E206-F224 HydrophobicContact CB-CB 4.15Å; E206-F224 HydrophobicContact CB-CD1 3.47Å; E206-F224 VanDerWaalsContact CB-CD1 3.47Å; E206-F224 HydrophobicContact CB-CE1 4.08Å; E206-F224 HydrophobicContact CB-CG 3.91Å; E206-F224 HydrophobicContact CG-CD1 3.66Å; E206-F224 HydrophobicContact CG-CE1 4.22Å; E206-F224 HydrophobicContact CG-CG 4.49Å; E206-F224 PolarHBondContact OE2-N 2.78Å
207C95Very high93.2Very high33 Ų3363.7 Ų63.722%0.22335%0.351CS..THydrogen-bonded Turntrans-65.1-39.5175.8-55.60000112N205 M209 G210 C217 F218 N219N205-C207 PolarHBondContact O-N 2.98Å; N205-C207 VanDerWaalsContact OD1-CB 3.22Å; N205-C207 WeakPolarHBondContact OD1-CB 3.33Å; N205-C207 PolarHBondContact OD1-N 3.07Å; C207-M209 PolarHBondContact O-N 2.84Å; C207-G210 PolarHBondContact O-N 2.79Å; C207-C217 WeakPolarHBondContact CA-SG 3.41Å; C207-C217 HydrophobicContact CB-CB 3.69Å; C207-C217 WeakPolarHBondContact CB-SG 3.32Å; C207-C217 WeakPolarHBondContact SG-CB 3.03Å; C207-C217 CovalentContact SG-SG 2.04Å; C207-C217 PolarHBondContact SG-SG 3.43Å; C207-F218 VanDerWaalsContact SG-C 3.5Å; C207-F218 PolarHBondContact SG-N 3.12Å; C207-F218 VanDerWaalsContact SG-N 3.44Å; C207-N219 PolarHBondContact SG-N 2.87Å
208D94.6Very high93.5Very high134 Ų13463.3 Ų63.372%0.71735%0.346SS*.THydrogen-bonded Turntrans-71.9-23.1176.9-65.4-17.6000111.7N205 G210N205-D208 HydrophobicContact CB-CB 4.33Å; N205-D208 PolarHBondContact ND2-OD1 2.96Å; N205-D208 PolarHBondContact ND2-OD2 3.35Å; N205-D208 PolarHBondContact O-N 3.07Å; N205-D208 PolarHBondContact OD1-N 3.25Å; D208-G210 VanDerWaalsContact C-N 3.31Å
209M90.2Very high93.7Very high129 Ų12961 Ų6164%0.63533%0.333SS*.THydrogen-bonded Turntrans-87.13.2177.3-61.9-169.9178.100113.8V204 N205 E206 C207V204-M209 HydrophobicContact CG1-CE 3.48Å; V204-M209 VanDerWaalsContact CG1-CE 3.48Å; V204-M209 HydrophobicContact CG1-SD 3.5Å; V204-M209 VanDerWaalsContact CG1-SD 3.5Å; N205-M209 PolarHBondContact O-N 2.04Å; E206-M209 CarbonylContact O-C 3.48Å; E206-M209 PolarHBondContact O-N 2.8Å; C207-M209 PolarHBondContact O-N 2.84Å
210G89.2Confident93.9Very high64 Ų6458.7 Ų58.766%0.6633%0.332SS*.THydrogen-bonded Turntrans83.750.118000000113.3E206 C207 D208E206-G210 PolarHBondContact O-N 3.12Å; C207-G210 PolarHBondContact O-N 2.79Å; D208-G210 VanDerWaalsContact C-N 3.31Å
211A91.8Very high93.9Very high20 Ų2064.3 Ų64.317%0.16535%0.348CS..  trans-47.5145.2172.200000112.4E206 C213 C217 F224E206-A211 HydrophobicContact CB-CB 4.46Å; E206-A211 WeakPolarHBondContact O-CB 3.48Å; E206-A211 PolarHBondContact O-N 2.7Å; A211-C213 PolarHBondContact O-N 2.96Å; A211-C217 HydrophobicContact CB-CB 4.39Å; A211-C217 WeakPolarHBondContact CB-SG 3.48Å; A211-F224 HydrophobicContact CB-CD2 3.76Å; A211-F224 HydrophobicContact CB-CE2 3.72Å; A211-F224 HydrophobicContact CB-CG 4.32Å; A211-F224 HydrophobicContact CB-CZ 4.26Å
212P91.8Very high93.7Very high85 Ų8565.1 Ų65.155%0.55236%0.357SS*.SBendtrans-73.723.9-175.732.5-38.2000114.3F224 F239P212-F224 HydrophobicContact CG-CE2 4.35Å; P212-F224 HydrophobicContact CG-CZ 4.09Å; P212-F239 HydrophobicContact CB-CD1 4.33Å; P212-F239 HydrophobicContact CG-CD1 3.67Å; P212-F239 HydrophobicContact CG-CE1 3.67Å; P212-F239 HydrophobicContact CG-CG 4.34Å; P212-F239 HydrophobicContact CG-CZ 4.3Å
213C94.3Very high93.7Very high23 Ų2365.6 Ų65.616%0.15536%0.361CS..  trans-71.9129.4177.7-58.80000110.6A211 Q215 C217 C226A211-C213 PolarHBondContact O-N 2.96Å; C213-Q215 VanDerWaalsContact C-N 3.31Å; C213-Q215 PolarHBondContact O-N 2.85Å; C213-C217 HydrophobicContact CB-CB 4.1Å; C213-C217 VanDerWaalsContact SG-CB 3.56Å; C213-C226 WeakPolarHBondContact CA-SG 3.44Å; C213-C226 HydrophobicContact CB-CB 3.66Å; C213-C226 WeakPolarHBondContact CB-SG 3.43Å; C213-C226 WeakPolarHBondContact SG-CA 3.41Å; C213-C226 WeakPolarHBondContact SG-CB 3.44Å; C213-C226 CovalentContact SG-SG 2.03Å; C213-C226 PolarHBondContact SG-SG 3.35Å
214E95.3Very high93.6Very high111 Ų11165.7 Ų65.752%0.51936%0.359SS..SBendtrans-64.4-38.1176.9-172.6-171.9141.100112.1F239 S240 C241E214-F239 WeakPolarHBondContact CB-O 3.21Å; E214-F239 PolarHBondContact N-O 3.01Å; E214-S240 WeakPolarHBondContact OE2-CA 3.02Å; E214-C241 PolarHBondContact OE2-N 2.86Å
215Q94.6Very high93.5Very high46 Ų4669.3 Ų69.322%0.21538%0.377CS..SBendtrans-120.8-76-169.5-68.9-170.25.500113.2C213 H229 C241C213-Q215 VanDerWaalsContact C-N 3.31Å; C213-Q215 PolarHBondContact O-N 2.85Å; Q215-H229 VanDerWaalsContact CD-ND1 3.35Å; Q215-H229 PolarHBondContact OE1-ND1 3.02Å; Q215-C241 VanDerWaalsContact CD-CB 3.43Å; Q215-C241 HydrophobicContact CG-CB 3.92Å; Q215-C241 VanDerWaalsContact NE2-CB 3.35Å
216R95.7Very high93.6Very high119 Ų11967.3 Ų67.345%0.44937%0.367SS..EExtended strand (participates in β ladder)trans-123.4132.5-177.9-57.6176.255.4138.33.4110.6F218 C226 R227R216-F218 HydrophobicContact CB-CD2 4.46Å; R216-F218 HydrophobicContact CB-CE2 3.78Å; R216-F218 VanDerWaalsContact NH2-CZ 3.34Å; R216-C226 CarbonylContact O-C 3.28Å; R216-C226 VanDerWaalsContact O-CA 3.3Å; R216-C226 WeakPolarHBondContact O-CA 3.45Å; R216-R227 VanDerWaalsContact CB-O 3.3Å; R216-R227 WeakPolarHBondContact CB-O 3.34Å; R216-R227 PolarHBondContact N-O 2.9Å; R216-R227 VanDerWaalsContact N-O 3.07Å; R216-R227 PolarHBondContact O-N 2.73Å
217C96.6Very high93.6Very high39 Ų3972.7 Ų72.726%0.26439%0.386SS..EExtended strand (participates in β ladder)trans-104.1141.2171.9-173.90000110.3C207 A211 C213C207-C217 WeakPolarHBondContact CA-SG 3.41Å; C207-C217 HydrophobicContact CB-CB 3.69Å; C207-C217 WeakPolarHBondContact CB-SG 3.32Å; C207-C217 WeakPolarHBondContact SG-CB 3.03Å; C207-C217 CovalentContact SG-SG 2.04Å; C207-C217 PolarHBondContact SG-SG 3.43Å; A211-C217 HydrophobicContact CB-CB 4.39Å; A211-C217 WeakPolarHBondContact CB-SG 3.48Å; C213-C217 HydrophobicContact CB-CB 4.1Å; C213-C217 VanDerWaalsContact SG-CB 3.56Å
218F95.3Very high93.7Very high72 Ų7272.3 Ų72.332%0.31638%0.383SS..EExtended strand (participates in β ladder)trans-128.5118.7173.1-68.4-96.5000108.7C207 R216 F224 L225 R227C207-F218 VanDerWaalsContact SG-C 3.5Å; C207-F218 PolarHBondContact SG-N 3.12Å; C207-F218 VanDerWaalsContact SG-N 3.44Å; R216-F218 HydrophobicContact CB-CD2 4.46Å; R216-F218 HydrophobicContact CB-CE2 3.78Å; R216-F218 VanDerWaalsContact NH2-CZ 3.34Å; F218-F224 CarbonylContact O-C 3.57Å; F218-F224 WeakPolarHBondContact O-CA 3.46Å; F218-L225 PolarHBondContact N-O 3.26Å; F218-L225 PolarHBondContact O-N 2.91Å; F218-R227 HydrophobicContact CD2-CB 4.08Å; F218-R227 HydrophobicContact CD2-CG 3.77Å; F218-R227 HydrophobicContact CE2-CB 3.76Å; F218-R227 HydrophobicContact CE2-CG 3.86Å
219N94.4Very high93.8Very high61 Ų6170.3 Ų70.333%0.32637%0.369SS..EExtended strand (participates in β ladder)trans-71.3140.1174.1-167.643.4000110.1D203 V204 N205 E206 C207D203-N219 PolarHBondContact OD2-ND2 2.82Å; V204-N219 PolarHBondContact O-OD1 3.25Å; N205-N219 WeakPolarHBondContact OD1-CB 3.37Å; E206-N219 PolarHBondContact OE2-OD1 2.8Å; C207-N219 PolarHBondContact SG-N 2.87Å
220S92.8Very high94Very high46 Ų4673.1 Ų73.132%0.32238%0.381SS..EExtended strand (participates in β ladder)trans-138.8165.817562.50000109.7G222 T223S220-G222 PolarHBondContact O-N 2.71Å; S220-T223 CarbonylContact C-O 3.6Å; S220-T223 WeakPolarHBondContact CA-O 3.15Å; S220-T223 WeakPolarHBondContact CB-O 3.38Å; S220-T223 PolarHBondContact N-O 3.39Å; S220-T223 CarbonylContact O-C 3.51Å; S220-T223 PolarHBondContact O-N 2.83Å; S220-T223 WeakPolarHBondContact OG-CG2 3.1Å; S220-T223 PolarHBondContact OG-O 2.82Å
221Y92.8Very high94.3Very high160 Ų16070.7 Ų70.763%0.62736%0.356SS*.THydrogen-bonded Turntrans-67.3112.8-174.6-169.6-92.9000111.2F192F192-Y221 HydrophobicContact CE1-CD1 4.14Å; F192-Y221 HydrophobicContact CE1-CD2 4.06Å; F192-Y221 AromaticContact CE1-CE1 3.68Å; F192-Y221 HydrophobicContact CE1-CE1 3.68Å; F192-Y221 AromaticContact CE1-CE2 3.61Å; F192-Y221 HydrophobicContact CE1-CE2 3.61Å; F192-Y221 HydrophobicContact CE1-CG 4.31Å; F192-Y221 AromaticContact CE1-CZ 3.38Å; F192-Y221 HydrophobicContact CE2-CE1 4.41Å; F192-Y221 AromaticContact CZ-CD1 3.62Å; F192-Y221 HydrophobicContact CZ-CD1 3.62Å; F192-Y221 HydrophobicContact CZ-CD2 4.34Å; F192-Y221 AromaticContact CZ-CE1 3.31Å; F192-Y221 HydrophobicContact CZ-CE1 3.31Å; F192-Y221 HydrophobicContact CZ-CE2 4.1Å; F192-Y221 HydrophobicContact CZ-CG 4.12Å; F192-Y221 AromaticContact CZ-CZ 3.57Å
222G90.3Very high94.5Very high24 Ų2472.6 Ų72.625%0.24736%0.359CS..THydrogen-bonded Turntrans80.56.6179.700000115.5D203 S220D203-G222 PolarHBondContact OD1-N 3.48Å; S220-G222 PolarHBondContact O-N 2.71Å
223T92.6Very high94.6Very high72 Ų7272.9 Ų72.944%0.44235%0.353SS..EExtended strand (participates in β ladder)trans-169.5171.1179.6-172.90000110.6S220S220-T223 CarbonylContact C-O 3.6Å; S220-T223 WeakPolarHBondContact CA-O 3.15Å; S220-T223 WeakPolarHBondContact CB-O 3.38Å; S220-T223 PolarHBondContact N-O 3.39Å; S220-T223 CarbonylContact O-C 3.51Å; S220-T223 PolarHBondContact O-N 2.83Å; S220-T223 WeakPolarHBondContact OG-CG2 3.1Å; S220-T223 PolarHBondContact OG-O 2.82Å
224F93.9Very high94.7Very high45 Ų4575.1 Ų75.120%0.19736%0.363CS..EExtended strand (participates in β ladder)trans-115.6165.3166.967.1-75000111.8E206 A211 P212 F218 F239E206-F224 HydrophobicContact CB-CB 4.15Å; E206-F224 HydrophobicContact CB-CD1 3.47Å; E206-F224 VanDerWaalsContact CB-CD1 3.47Å; E206-F224 HydrophobicContact CB-CE1 4.08Å; E206-F224 HydrophobicContact CB-CG 3.91Å; E206-F224 HydrophobicContact CG-CD1 3.66Å; E206-F224 HydrophobicContact CG-CE1 4.22Å; E206-F224 HydrophobicContact CG-CG 4.49Å; E206-F224 PolarHBondContact OE2-N 2.78Å; A211-F224 HydrophobicContact CB-CD2 3.76Å; A211-F224 HydrophobicContact CB-CE2 3.72Å; A211-F224 HydrophobicContact CB-CG 4.32Å; A211-F224 HydrophobicContact CB-CZ 4.26Å; P212-F224 HydrophobicContact CG-CE2 4.35Å; P212-F224 HydrophobicContact CG-CZ 4.09Å; F218-F224 CarbonylContact O-C 3.57Å; F218-F224 WeakPolarHBondContact O-CA 3.46Å; F224-F239 HydrophobicContact CE2-CD1 4.32Å; F224-F239 AromaticContact CE2-CE1 3.77Å; F224-F239 HydrophobicContact CE2-CE1 3.77Å; F224-F239 AromaticContact CZ-CE1 3.72Å; F224-F239 HydrophobicContact CZ-CE1 3.72Å
225L93.7Very high94.7Very high95 Ų9574.5 Ų74.550%0.49736%0.36SS..EExtended strand (participates in β ladder)trans-130.2133.5172.4178.965.5000110.2F218 R227F218-L225 PolarHBondContact N-O 3.26Å; F218-L225 PolarHBondContact O-N 2.91Å; L225-R227 HydrophobicContact CD2-CG 4.25Å; L225-R227 HydrophobicContact CG-CG 4.3Å
226C96.1Very high94.6Very high3 Ų383.9 Ų83.92%0.0239%0.394CS..EExtended strand (participates in β ladder)trans-87.6143.1168.8-51.90000111.1C213 R216 L234 G238 F239C213-C226 WeakPolarHBondContact CA-SG 3.44Å; C213-C226 HydrophobicContact CB-CB 3.66Å; C213-C226 WeakPolarHBondContact CB-SG 3.43Å; C213-C226 WeakPolarHBondContact SG-CA 3.41Å; C213-C226 WeakPolarHBondContact SG-CB 3.44Å; C213-C226 CovalentContact SG-SG 2.03Å; C213-C226 PolarHBondContact SG-SG 3.35Å; R216-C226 CarbonylContact O-C 3.28Å; R216-C226 VanDerWaalsContact O-CA 3.3Å; R216-C226 WeakPolarHBondContact O-CA 3.45Å; C226-L234 HydrophobicContact CB-CD1 4.2Å; C226-L234 WeakPolarHBondContact O-CD2 3.22Å; C226-G238 VanDerWaalsContact CB-O 3.31Å; C226-G238 WeakPolarHBondContact CB-O 3.41Å; C226-F239 VanDerWaalsContact SG-CD1 3.56Å
227R95.6Very high94.4Very high145 Ų14581.5 Ų81.555%0.54739%0.39SS..EExtended strand (participates in β ladder)trans-136.2151.4172.5-56.7-178.662178.60.8109.9R216 F218 L225R216-R227 VanDerWaalsContact CB-O 3.3Å; R216-R227 WeakPolarHBondContact CB-O 3.34Å; R216-R227 PolarHBondContact N-O 2.9Å; R216-R227 VanDerWaalsContact N-O 3.07Å; R216-R227 PolarHBondContact O-N 2.73Å; F218-R227 HydrophobicContact CD2-CB 4.08Å; F218-R227 HydrophobicContact CD2-CG 3.77Å; F218-R227 HydrophobicContact CE2-CB 3.76Å; F218-R227 HydrophobicContact CE2-CG 3.86Å; L225-R227 HydrophobicContact CD2-CG 4.25Å; L225-R227 HydrophobicContact CG-CG 4.3Å
228C96.9Very high94.2Very high26 Ų2680.9 Ų80.918%0.17639%0.39CS..PPolyproline II helixtrans-92.7159.1177.8-51.20000111.6E233 L234 C241C228-E233 VanDerWaalsContact SG-C 3.59Å; C228-L234 VanDerWaalsContact SG-CA 3.54Å; C228-C241 WeakPolarHBondContact CA-SG 3.47Å; C228-C241 HydrophobicContact CB-CB 3.77Å; C228-C241 WeakPolarHBondContact CB-SG 3.48Å; C228-C241 VanDerWaalsContact SG-CA 3.52Å; C228-C241 WeakPolarHBondContact SG-CB 3.43Å; C228-C241 CovalentContact SG-SG 2.03Å; C228-C241 PolarHBondContact SG-SG 3.45Å
229H95.9Very high94.1Very high91 Ų9181.2 Ų81.242%0.42139%0.392SS..PPolyproline II helixtrans-64166.3168-63.691.9000110.4Q215 G231 Y232Q215-H229 VanDerWaalsContact CD-ND1 3.35Å; Q215-H229 PolarHBondContact OE1-ND1 3.02Å; H229-G231 PolarHBondContact O-N 3.17Å; H229-Y232 HydrophobicContact CB-CD2 4.2Å; H229-Y232 PolarHBondContact O-N 3.32Å
230Q95.3Very high94.2Very high189 Ų18980.5 Ų80.588%0.88339%0.391SS*.THydrogen-bonded Turntrans-58.7138.3173.2-173.3173.917.500110.3
231G94.4Very high94.4Very high13 Ų1378.9 Ų78.913%0.13438%0.38CS..THydrogen-bonded Turntrans87.32.2-176.200000114.5H229 I244H229-G231 PolarHBondContact O-N 3.17Å; G231-I244 WeakPolarHBondContact O-CB 3.19Å; G231-I244 WeakPolarHBondContact O-CG1 3.32Å; G231-I244 PolarHBondContact O-N 3.26Å
232Y96.6Very high94.5Very high59 Ų5973.1 Ų73.123%0.23136%0.363CS..EExtended strand (participates in β ladder)trans-124.1148.9177.2-66.4-99.6000110.8H229 C241 S242 D243 P262 G263H229-Y232 HydrophobicContact CB-CD2 4.2Å; H229-Y232 PolarHBondContact O-N 3.32Å; Y232-C241 HydrophobicContact CD1-CB 4.44Å; Y232-S242 CarbonylContact C-O 3.59Å; Y232-S242 VanDerWaalsContact CA-O 3.27Å; Y232-S242 WeakPolarHBondContact CA-O 3.38Å; Y232-D243 HydrophobicContact CD1-CB 4.19Å; Y232-D243 HydrophobicContact CE1-CB 3.97Å; Y232-P262 VanDerWaalsContact OH-C 3.27Å; Y232-P262 VanDerWaalsContact OH-CB 3.25Å; Y232-P262 WeakPolarHBondContact OH-CB 3.29Å; Y232-G263 PolarHBondContact OH-N 2.03Å
233E94.9Very high94.8Very high91 Ų9174.2 Ų74.243%0.42536%0.363SS..EExtended strand (participates in β ladder)trans-111.7145.517362.9173.4-166.500111.4C228 H235 C241 S242 I244C228-E233 VanDerWaalsContact SG-C 3.59Å; E233-H235 PolarHBondContact O-N 3.04Å; E233-C241 WeakPolarHBondContact O-CA 3.29Å; E233-S242 WeakPolarHBondContact CG-OG 3.09Å; E233-S242 PolarHBondContact N-O 2.04Å; E233-S242 PolarHBondContact O-N 3.41Å; E233-I244 HydrophobicContact CB-CD1 4.23Å; E233-I244 HydrophobicContact CB-CG1 3.95Å; E233-I244 HydrophobicContact CG-CG1 4.09Å
234L95.7Very high94.9Very high70 Ų7073 Ų7337%0.36635%0.353SS..EExtended strand (participates in β ladder)trans-76.2126.2178.8-168.370.8000109.3C226 C228C226-L234 HydrophobicContact CB-CD1 4.2Å; C226-L234 WeakPolarHBondContact O-CD2 3.22Å; C228-L234 VanDerWaalsContact SG-CA 3.54Å
235H94.3Very high95Very high98 Ų9873.9 Ų73.945%0.45436%0.36SS..  trans-67.3165177.7-167.172.8000111.4E233 D237 G238 S240E233-H235 PolarHBondContact O-N 3.04Å; H235-D237 WeakPolarHBondContact CB-OD1 3.38Å; H235-D237 IonicContact CD2-OD1 3.75Å; H235-D237 IonicContact CD2-OD2 2.97Å; H235-D237 IonicContact CG-OD1 3.66Å; H235-D237 PolarHBondContact O-N 3.22Å; H235-D237 VanDerWaalsContact O-N 3.15Å; H235-G238 PolarHBondContact O-N 3.23Å; H235-S240 VanDerWaalsContact CB-O 3.3Å; H235-S240 WeakPolarHBondContact CB-O 3.23Å; H235-S240 PolarHBondContact N-O 3.12Å
236R92.6Very high95.1Very high244 Ų24471 Ų7192%0.92134%0.344SS*.THydrogen-bonded Turntrans-64.5-18.9-177.4-65.6-176.7-171.7-88.2-2.9114G238R236-G238 PolarHBondContact O-N 3.25Å
237D92.4Very high95Very high69 Ų6972.4 Ų72.437%0.36935%0.354SS..THydrogen-bonded Turntrans-70.9-17174.362.43.8000112.3H235 F239 S240H235-D237 WeakPolarHBondContact CB-OD1 3.38Å; H235-D237 IonicContact CD2-OD1 3.75Å; H235-D237 IonicContact CD2-OD2 2.97Å; H235-D237 IonicContact CG-OD1 3.66Å; H235-D237 PolarHBondContact O-N 3.22Å; H235-D237 VanDerWaalsContact O-N 3.15Å; D237-F239 VanDerWaalsContact C-N 3.28Å; D237-F239 HydrophobicContact CB-CD2 4.31Å; D237-F239 WeakPolarHBondContact O-CD2 3.19Å; D237-F239 WeakPolarHBondContact O-CE2 3.49Å; D237-F239 PolarHBondContact OD1-N 3.33Å; D237-S240 PolarHBondContact OD1-N 3.11Å; D237-S240 VanDerWaalsContact OD2-CB 3.29Å; D237-S240 WeakPolarHBondContact OD2-CB 3.07Å; D237-S240 PolarHBondContact OD2-OG 2.7Å
238G91.9Very high95Very high26 Ų2669.5 Ų69.527%0.26836%0.355SS..SBendtrans78.87.7-177.600000114.2C226 H235 R236C226-G238 VanDerWaalsContact CB-O 3.31Å; C226-G238 WeakPolarHBondContact CB-O 3.41Å; H235-G238 PolarHBondContact O-N 3.23Å; R236-G238 PolarHBondContact O-N 3.25Å
239F94.1Very high94.6Very high79 Ų7975.8 Ų75.835%0.34638%0.377SS..SBendtrans-128.5-39.8-172.2-59.7-62.9000113.4P212 E214 F224 C226 D237P212-F239 HydrophobicContact CB-CD1 4.33Å; P212-F239 HydrophobicContact CG-CD1 3.67Å; P212-F239 HydrophobicContact CG-CE1 3.67Å; P212-F239 HydrophobicContact CG-CG 4.34Å; P212-F239 HydrophobicContact CG-CZ 4.3Å; E214-F239 WeakPolarHBondContact CB-O 3.21Å; E214-F239 PolarHBondContact N-O 3.01Å; F224-F239 HydrophobicContact CE2-CD1 4.32Å; F224-F239 AromaticContact CE2-CE1 3.77Å; F224-F239 HydrophobicContact CE2-CE1 3.77Å; F224-F239 AromaticContact CZ-CE1 3.72Å; F224-F239 HydrophobicContact CZ-CE1 3.72Å; C226-F239 VanDerWaalsContact SG-CD1 3.56Å; D237-F239 VanDerWaalsContact C-N 3.28Å; D237-F239 HydrophobicContact CB-CD2 4.31Å; D237-F239 WeakPolarHBondContact O-CD2 3.19Å; D237-F239 WeakPolarHBondContact O-CE2 3.49Å; D237-F239 PolarHBondContact OD1-N 3.33Å
240S95.6Very high94.2Very high45 Ų4573.5 Ų73.532%0.31537%0.371SS..  trans-90.1152.5-175.9-50.70000111.2E214 H235 D237E214-S240 WeakPolarHBondContact OE2-CA 3.02Å; H235-S240 VanDerWaalsContact CB-O 3.3Å; H235-S240 WeakPolarHBondContact CB-O 3.23Å; H235-S240 PolarHBondContact N-O 3.12Å; D237-S240 PolarHBondContact OD1-N 3.11Å; D237-S240 VanDerWaalsContact OD2-CB 3.29Å; D237-S240 WeakPolarHBondContact OD2-CB 3.07Å; D237-S240 PolarHBondContact OD2-OG 2.7Å
241C96.5Very high93.8Very high12 Ų1269 Ų698%0.08136%0.36CS..EExtended strand (participates in β ladder)trans-121119.3-178.4-70.70000110.3E214 Q215 C228 Y232 E233E214-C241 PolarHBondContact OE2-N 2.86Å; Q215-C241 VanDerWaalsContact CD-CB 3.43Å; Q215-C241 HydrophobicContact CG-CB 3.92Å; Q215-C241 VanDerWaalsContact NE2-CB 3.35Å; C228-C241 WeakPolarHBondContact CA-SG 3.47Å; C228-C241 HydrophobicContact CB-CB 3.77Å; C228-C241 WeakPolarHBondContact CB-SG 3.48Å; C228-C241 VanDerWaalsContact SG-CA 3.52Å; C228-C241 WeakPolarHBondContact SG-CB 3.43Å; C228-C241 CovalentContact SG-SG 2.03Å; C228-C241 PolarHBondContact SG-SG 3.45Å; Y232-C241 HydrophobicContact CD1-CB 4.44Å; E233-C241 WeakPolarHBondContact O-CA 3.29Å
242S95.2Very high93.6Very high40 Ų4078.4 Ų78.428%0.2839%0.393SS..EExtended strand (participates in β ladder)trans-99.4139.5173.344.60000110.7Y232 E233Y232-S242 CarbonylContact C-O 3.59Å; Y232-S242 VanDerWaalsContact CA-O 3.27Å; Y232-S242 WeakPolarHBondContact CA-O 3.38Å; E233-S242 WeakPolarHBondContact CG-OG 3.09Å; E233-S242 PolarHBondContact N-O 2.04Å; E233-S242 PolarHBondContact O-N 3.41Å
243D96.9Very high93.4Very high46 Ų4677.6 Ų77.625%0.24639%0.393CS..EExtended strand (participates in β ladder)trans-59.4137171.9-178.759.7000110.9Y232 D245 N260 G263Y232-D243 HydrophobicContact CD1-CB 4.19Å; Y232-D243 HydrophobicContact CE1-CB 3.97Å; D243-D245 PolarHBondContact O-N 2.03Å; D243-N260 PolarHBondContact OD2-ND2 2.81Å; D243-G263 PolarHBondContact OD1-N 3.32Å
244I95.4Very high93.3Very high46 Ų4673.9 Ų73.924%0.23638%0.377CS..  trans-84.7109.9177.2-61.8172.7000107.4G231 E233 E246 Y249 N260G231-I244 WeakPolarHBondContact O-CB 3.19Å; G231-I244 WeakPolarHBondContact O-CG1 3.32Å; G231-I244 PolarHBondContact O-N 3.26Å; E233-I244 HydrophobicContact CB-CD1 4.23Å; E233-I244 HydrophobicContact CB-CG1 3.95Å; E233-I244 HydrophobicContact CG-CG1 4.09Å; I244-E246 VanDerWaalsContact C-N 3.32Å; I244-E246 HydrophobicContact CG2-CG 4.24Å; I244-E246 PolarHBondContact O-N 2.85Å; I244-Y249 HydrophobicContact CG2-CD2 4.03Å; I244-Y249 HydrophobicContact CG2-CE2 3.63Å; I244-N260 PolarHBondContact O-OD1 2.98Å
245D95.4Very high93.3Very high64 Ų6473.9 Ų73.934%0.34238%0.375SS..  trans-73.285.9175.5-175.8-15.2000111D243 C247 S248 Y249D243-D245 PolarHBondContact O-N 2.03Å; D245-C247 PolarHBondContact O-N 2.76Å; D245-C247 WeakPolarHBondContact OD1-CB 3.48Å; D245-C247 PolarHBondContact OD1-N 3.29Å; D245-S248 WeakPolarHBondContact O-CB 3.05Å; D245-S248 PolarHBondContact O-N 2.94Å; D245-S248 PolarHBondContact O-OG 2.81Å; D245-S248 PolarHBondContact OD1-N 3.34Å; D245-Y249 WeakPolarHBondContact O-CD2 3.19Å; D245-Y249 PolarHBondContact O-N 2.86Å
246E95.1Very high93.2Very high34 Ų3474.1 Ų74.116%0.15937%0.373CS..Hα-helixtrans-62.2-32.2-175.9-56102.4152.100111.6I244 S248 Y249 S250 L253 N260 F265I244-E246 VanDerWaalsContact C-N 3.32Å; I244-E246 HydrophobicContact CG2-CG 4.24Å; I244-E246 PolarHBondContact O-N 2.85Å; E246-S248 PolarHBondContact O-N 3.43Å; E246-Y249 PolarHBondContact O-N 3.11Å; E246-Y249 VanDerWaalsContact O-N 3.11Å; E246-S250 PolarHBondContact O-N 3.07Å; E246-L253 VanDerWaalsContact C-CD1 3.47Å; E246-L253 HydrophobicContact CB-CD1 3.79Å; E246-L253 WeakPolarHBondContact O-CD1 3.25Å; E246-N260 PolarHBondContact OE2-OD1 3.49Å; E246-N260 VanDerWaalsContact OE2-OD1 3.12Å; E246-F265 HydrophobicContact CB-CB 4.44Å; E246-F265 HydrophobicContact CB-CD1 3.73Å; E246-F265 HydrophobicContact CB-CE1 4.27Å; E246-F265 HydrophobicContact CB-CG 4.21Å; E246-F265 HydrophobicContact CG-CD1 3.86Å; E246-F265 HydrophobicContact CG-CE1 4.38Å; E246-F265 WeakPolarHBondContact OE2-CB 3.4Å; E246-F265 PolarHBondContact OE2-N 2.7Å
247C95.1Very high93.3Very high33 Ų3370 Ų7022%0.22336%0.357CS..Hα-helixtrans-64-29.2177.8-58.60000112.6D245 C258 V259 N260D245-C247 PolarHBondContact O-N 2.76Å; D245-C247 WeakPolarHBondContact OD1-CB 3.48Å; D245-C247 PolarHBondContact OD1-N 3.29Å; C247-C258 WeakPolarHBondContact CA-SG 3.04Å; C247-C258 HydrophobicContact CB-CB 3.75Å; C247-C258 WeakPolarHBondContact CB-SG 3.41Å; C247-C258 WeakPolarHBondContact SG-CB 3.21Å; C247-C258 CovalentContact SG-SG 2.04Å; C247-C258 PolarHBondContact SG-SG 2.61Å; C247-V259 PolarHBondContact SG-N 3.15Å; C247-V259 VanDerWaalsContact SG-N 3.43Å; C247-N260 PolarHBondContact SG-N 2.92Å; C247-N260 VanDerWaalsContact SG-N 3.35Å
248S94.4Very high93.5Very high84 Ų8468.5 Ų68.559%0.58735%0.351SS*.Hα-helixtrans-75.9-28.6174.3780000113.4D245 E246D245-S248 WeakPolarHBondContact O-CB 3.05Å; D245-S248 PolarHBondContact O-N 2.94Å; D245-S248 PolarHBondContact O-OG 2.81Å; D245-S248 PolarHBondContact OD1-N 3.34Å; E246-S248 PolarHBondContact O-N 3.43Å
249Y88.8Confident93.7Very high158 Ų15869.6 Ų69.662%0.6235%0.353SS*.Hα-helixtrans-75.7-35.5-178.3-81.2-81.2000113.3I244 D245 E246I244-Y249 HydrophobicContact CG2-CD2 4.03Å; I244-Y249 HydrophobicContact CG2-CE2 3.63Å; D245-Y249 WeakPolarHBondContact O-CD2 3.19Å; D245-Y249 PolarHBondContact O-N 2.86Å; E246-Y249 PolarHBondContact O-N 3.11Å; E246-Y249 VanDerWaalsContact O-N 3.11Å
250S88.4Confident93.8Very high43 Ų4368.2 Ų68.230%0.30135%0.349SS..  trans-152.1123.9-1781770000113.1E246 Y252E246-S250 PolarHBondContact O-N 3.07Å; S250-Y252 PolarHBondContact O-N 3.47Å; S250-Y252 PolarHBondContact OG-N 3.35Å
251S87Confident93.8Very high95 Ų9569 Ų6966%0.66435%0.348SS*.THydrogen-bonded Turntrans-70-10.3172.758.10000113.9
252Y89.3Confident93.8Very high210 Ų21073.4 Ų73.482%0.82438%0.376SS*.THydrogen-bonded Turntrans-97.35-175.7-56.1-75.7000113.5S250 C254S250-Y252 PolarHBondContact O-N 3.47Å; S250-Y252 PolarHBondContact OG-N 3.35Å; Y252-C254 VanDerWaalsContact C-N 3.33Å
253L91.8Very high93.7Very high43 Ų4372.5 Ų72.523%0.22537%0.373CS..SBendtrans-67.1-34.9179.3-73.6169.9000113.1E246 F265 R279E246-L253 VanDerWaalsContact C-CD1 3.47Å; E246-L253 HydrophobicContact CB-CD1 3.79Å; E246-L253 WeakPolarHBondContact O-CD1 3.25Å; L253-F265 HydrophobicContact CB-CE2 4.03Å; L253-F265 HydrophobicContact CB-CZ 4.41Å; L253-F265 HydrophobicContact CD2-CZ 4.04Å; L253-R279 WeakPolarHBondContact O-CD 3.47Å
254C94.1Very high93.6Very high12 Ų1276.6 Ų76.68%0.08139%0.385CS..SBendtrans-128.4146.3-179.8-56.90000109.1Y252 Y256 C258 C267Y252-C254 VanDerWaalsContact C-N 3.33Å; C254-Y256 VanDerWaalsContact C-N 3.35Å; C254-Y256 PolarHBondContact O-N 2.83Å; C254-C258 HydrophobicContact CB-CB 4.19Å; C254-C267 VanDerWaalsContact CA-SG 3.55Å; C254-C267 HydrophobicContact CB-CB 3.65Å; C254-C267 WeakPolarHBondContact CB-SG 3.35Å; C254-C267 WeakPolarHBondContact SG-CA 3.43Å; C254-C267 WeakPolarHBondContact SG-CB 3.4Å; C254-C267 CovalentContact SG-SG 2.03Å; C254-C267 PolarHBondContact SG-SG 2.92Å
255Q94.1Very high93.6Very high71 Ų7176.1 Ų76.133%0.33238%0.382SS..SBendtrans-69.1-31.2178-172.7168.621.800113.7R279 L280 F443Q255-R279 PolarHBondContact N-O 3.22Å; Q255-L280 HydrophobicContact CB-CD2 4.08Å; Q255-L280 HydrophobicContact CG-CD2 4.32Å; Q255-L280 VanDerWaalsContact OE1-CB 3.27Å; Q255-F443 HydrophobicContact CG-CB 4.49Å; Q255-F443 HydrophobicContact CG-CD1 3.81Å; Q255-F443 HydrophobicContact CG-CE1 4.13Å; Q255-F443 HydrophobicContact CG-CG 4.04Å
256Y93.8Very high93.6Very high103 Ų10373.9 Ų73.940%0.40437%0.371SS..SBendtrans-122.6-76.1-177178.1-113.5000113.3C254 H268 P270 Y441 F443C254-Y256 VanDerWaalsContact C-N 3.35Å; C254-Y256 PolarHBondContact O-N 2.83Å; Y256-H268 WeakPolarHBondContact CD1-O 3.3Å; Y256-P270 HydrophobicContact CD1-CB 4.23Å; Y256-P270 HydrophobicContact CD1-CG 4.25Å; Y256-P270 HydrophobicContact CE1-CB 3.93Å; Y256-P270 HydrophobicContact CE1-CG 4.4Å; Y256-P270 HydrophobicContact CG-CG 4.33Å; Y256-Y441 HydrophobicContact CD2-CD1 4.14Å; Y256-Y441 HydrophobicContact CD2-CE1 4.05Å; Y256-Y441 AromaticContact CE2-CD1 3.86Å; Y256-Y441 HydrophobicContact CE2-CD1 3.86Å; Y256-Y441 AromaticContact CE2-CE1 3.36Å; Y256-Y441 HydrophobicContact CE2-CE1 3.36Å; Y256-Y441 AromaticContact CZ-CE1 3.9Å; Y256-F443 HydrophobicContact CD2-CE1 4.37Å; Y256-F443 HydrophobicContact CD2-CZ 4.31Å; Y256-F443 HydrophobicContact CG-CZ 4.4Å
257R94.6Very high93.7Very high156 Ų15673 Ų7359%0.58937%0.368SS*.EExtended strand (participates in β ladder)trans-124.6120.7-175.3-176.6175.8-179.6131.10.6111.1V259 C267 H268R257-V259 HydrophobicContact CG-CG2 4.31Å; R257-C267 CarbonylContact O-C 3.55Å; R257-C267 WeakPolarHBondContact O-CA 3.27Å; R257-H268 HydrophobicContact CB-CB 4.35Å; R257-H268 PolarHBondContact N-O 2.03Å; R257-H268 PolarHBondContact O-N 3.46Å
258C96.3Very high93.7Very high38 Ų3875.7 Ų75.726%0.25738%0.377SS..EExtended strand (participates in β ladder)trans-92.1138.3168.6-169.80000109.4C247 C254C247-C258 WeakPolarHBondContact CA-SG 3.04Å; C247-C258 HydrophobicContact CB-CB 3.75Å; C247-C258 WeakPolarHBondContact CB-SG 3.41Å; C247-C258 WeakPolarHBondContact SG-CB 3.21Å; C247-C258 CovalentContact SG-SG 2.04Å; C247-C258 PolarHBondContact SG-SG 2.61Å; C254-C258 HydrophobicContact CB-CB 4.19Å
259V96Very high93.8Very high49 Ų4973 Ų7330%0.29736%0.358SS..EExtended strand (participates in β ladder)trans-126.9121.1172.3-179.50000107.5C247 R257 E261 F265 S266C247-V259 PolarHBondContact SG-N 3.15Å; C247-V259 VanDerWaalsContact SG-N 3.43Å; R257-V259 HydrophobicContact CG-CG2 4.31Å; V259-E261 HydrophobicContact CG1-CG 4.47Å; V259-F265 WeakPolarHBondContact O-CA 2.98Å; V259-F265 WeakPolarHBondContact O-CB 3.49Å; V259-S266 PolarHBondContact N-O 3.45Å; V259-S266 PolarHBondContact O-N 2.97Å
260N96.1Very high94.1Very high50 Ų5065.9 Ų65.927%0.26733%0.331SS..EExtended strand (participates in β ladder)trans-77.1134175.5-172.146000109.9D243 I244 E246 C247D243-N260 PolarHBondContact OD2-ND2 2.81Å; I244-N260 PolarHBondContact O-OD1 2.98Å; E246-N260 PolarHBondContact OE2-OD1 3.49Å; E246-N260 VanDerWaalsContact OE2-OD1 3.12Å; C247-N260 PolarHBondContact SG-N 2.92Å; C247-N260 VanDerWaalsContact SG-N 3.35Å
261E95.7Very high94.4Very high63 Ų6372.8 Ų72.829%0.29436%0.359SS..EExtended strand (participates in β ladder)trans-131.3158.8178.2-53.4177.1103.600109.2V259 G263 R264 S266V259-E261 HydrophobicContact CG1-CG 4.47Å; E261-G263 PolarHBondContact O-N 3.3Å; E261-R264 CarbonylContact C-O 3.54Å; E261-R264 WeakPolarHBondContact CA-O 3Å; E261-R264 HydrophobicContact CB-CG 4.25Å; E261-R264 WeakPolarHBondContact CB-O 3.46Å; E261-R264 PolarHBondContact N-O 2.96Å; E261-R264 CarbonylContact O-C 3.42Å; E261-R264 PolarHBondContact O-N 3.43Å; E261-R264 VanDerWaalsContact O-N 3.11Å; E261-R264 IonicContact OE1-NH1 2.75Å; E261-R264 IonicContact OE2-CZ 3.69Å; E261-R264 IonicContact OE2-NH1 2.78Å; E261-R264 PolarHBondContact OE2-NH1 3.07Å; E261-R264 IonicContact OE2-NH2 3.15Å; E261-R264 PolarHBondContact OE2-NH2 2.85Å; E261-S266 VanDerWaalsContact CD-OG 3.29Å; E261-S266 VanDerWaalsContact OE2-CB 3.23Å; E261-S266 WeakPolarHBondContact OE2-CB 3.41Å; E261-S266 PolarHBondContact OE2-OG 3.03Å
262P95.6Very high94.7Very high104 Ų10468.9 Ų68.968%0.67533%0.334SS*.THydrogen-bonded Turntrans-60.6114.4-179.3-24.735.1000112.8Y232 R264Y232-P262 VanDerWaalsContact OH-C 3.27Å; Y232-P262 VanDerWaalsContact OH-CB 3.25Å; Y232-P262 WeakPolarHBondContact OH-CB 3.29Å; P262-R264 VanDerWaalsContact C-N 3.35Å
263G94.1Very high95Very high21 Ų2159.6 Ų59.622%0.21630%0.297CS..THydrogen-bonded Turntrans81.13.717900000115.5Y232 D243 E261Y232-G263 PolarHBondContact OH-N 2.03Å; D243-G263 PolarHBondContact OD1-N 3.32Å; E261-G263 PolarHBondContact O-N 3.3Å
264R95.1Very high95.2Very high131 Ų13162 Ų6249%0.49431%0.307SS..EExtended strand (participates in β ladder)trans-168.6165.5-177.159.4177.6-68.8-93.9-17.6111.6E261 P262E261-R264 CarbonylContact C-O 3.54Å; E261-R264 WeakPolarHBondContact CA-O 3Å; E261-R264 HydrophobicContact CB-CG 4.25Å; E261-R264 WeakPolarHBondContact CB-O 3.46Å; E261-R264 PolarHBondContact N-O 2.96Å; E261-R264 CarbonylContact O-C 3.42Å; E261-R264 PolarHBondContact O-N 3.43Å; E261-R264 VanDerWaalsContact O-N 3.11Å; E261-R264 IonicContact OE1-NH1 2.75Å; E261-R264 IonicContact OE2-CZ 3.69Å; E261-R264 IonicContact OE2-NH1 2.78Å; E261-R264 PolarHBondContact OE2-NH1 3.07Å; E261-R264 IonicContact OE2-NH2 3.15Å; E261-R264 PolarHBondContact OE2-NH2 2.85Å; P262-R264 VanDerWaalsContact C-N 3.35Å
265F95.6Very high95.3Very high37 Ų3765.4 Ų65.416%0.16232%0.324CS..EExtended strand (participates in β ladder)trans-113.9165166.266.6-76.3000112.9E246 L253 V259E246-F265 HydrophobicContact CB-CB 4.44Å; E246-F265 HydrophobicContact CB-CD1 3.73Å; E246-F265 HydrophobicContact CB-CE1 4.27Å; E246-F265 HydrophobicContact CB-CG 4.21Å; E246-F265 HydrophobicContact CG-CD1 3.86Å; E246-F265 HydrophobicContact CG-CE1 4.38Å; E246-F265 WeakPolarHBondContact OE2-CB 3.4Å; E246-F265 PolarHBondContact OE2-N 2.7Å; L253-F265 HydrophobicContact CB-CE2 4.03Å; L253-F265 HydrophobicContact CB-CZ 4.41Å; L253-F265 HydrophobicContact CD2-CZ 4.04Å; V259-F265 WeakPolarHBondContact O-CA 2.98Å; V259-F265 WeakPolarHBondContact O-CB 3.49Å
266S95.1Very high95.3Very high17 Ų1765 Ų6512%0.11932%0.324CS..EExtended strand (participates in β ladder)trans-128.5140.8168.946.80000111.9V259 E261 H268V259-S266 PolarHBondContact N-O 3.45Å; V259-S266 PolarHBondContact O-N 2.97Å; E261-S266 VanDerWaalsContact CD-OG 3.29Å; E261-S266 VanDerWaalsContact OE2-CB 3.23Å; E261-S266 WeakPolarHBondContact OE2-CB 3.41Å; E261-S266 PolarHBondContact OE2-OG 3.03Å; S266-H268 PolarHBondContact OG-CE1 2.84Å
267C96.8Very high95.3Very high14 Ų1465.4 Ų65.410%0.09535%0.348CS..EExtended strand (participates in β ladder)trans-95.5141.7171.7-60.30000109.8C254 R257 L275 R279C254-C267 VanDerWaalsContact CA-SG 3.55Å; C254-C267 HydrophobicContact CB-CB 3.65Å; C254-C267 WeakPolarHBondContact CB-SG 3.35Å; C254-C267 WeakPolarHBondContact SG-CA 3.43Å; C254-C267 WeakPolarHBondContact SG-CB 3.4Å; C254-C267 CovalentContact SG-SG 2.03Å; C254-C267 PolarHBondContact SG-SG 2.92Å; R257-C267 CarbonylContact O-C 3.55Å; R257-C267 WeakPolarHBondContact O-CA 3.27Å; C267-L275 HydrophobicContact CB-CD1 3.82Å; C267-L275 HydrophobicContact CB-CD2 4.16Å; C267-L275 VanDerWaalsContact O-CD2 3.29Å; C267-L275 WeakPolarHBondContact O-CD2 3.41Å; C267-R279 HydrophobicContact CB-CB 4.49Å
268H95.9Very high95.3Very high90 Ų9062.6 Ų62.642%0.41735%0.349SS..EExtended strand (participates in β ladder)trans-126.5142176.8-68.880.9000109.9Y256 R257 S266Y256-H268 WeakPolarHBondContact CD1-O 3.3Å; R257-H268 HydrophobicContact CB-CB 4.35Å; R257-H268 PolarHBondContact N-O 2.03Å; R257-H268 PolarHBondContact O-N 3.46Å; S266-H268 PolarHBondContact OG-CE1 2.84Å
269C96.3Very high95.2Very high27 Ų2766.3 Ų66.318%0.18236%0.358CS..PPolyproline II helixtrans-99.8153.6173.3-690000110.5C281C269-C281 WeakPolarHBondContact CA-SG 3.02Å; C269-C281 HydrophobicContact CB-CB 3.85Å; C269-C281 WeakPolarHBondContact CB-SG 3.34Å; C269-C281 WeakPolarHBondContact SG-CA 3Å; C269-C281 WeakPolarHBondContact SG-CB 3.42Å; C269-C281 CovalentContact SG-SG 2.04Å; C269-C281 PolarHBondContact SG-SG 2.84Å
270P95.6Very high95.1Very high9 Ų967.9 Ų67.96%0.05836%0.364CS..PPolyproline II helixtrans-68167.9174.429.2-31.7000111.1Y256 Y273 Y441 F443Y256-P270 HydrophobicContact CD1-CB 4.23Å; Y256-P270 HydrophobicContact CD1-CG 4.25Å; Y256-P270 HydrophobicContact CE1-CB 3.93Å; Y256-P270 HydrophobicContact CE1-CG 4.4Å; Y256-P270 HydrophobicContact CG-CG 4.33Å; P270-Y273 HydrophobicContact CG-CD2 3.73Å; P270-Y273 HydrophobicContact CG-CE2 4.23Å; P270-Y273 HydrophobicContact CG-CG 4.14Å; P270-Y273 PolarHBondContact O-N 3.21Å; P270-Y273 VanDerWaalsContact O-N 3.16Å; P270-Y441 HydrophobicContact CB-CD2 4.18Å; P270-Y441 HydrophobicContact CB-CE1 4.14Å; P270-Y441 HydrophobicContact CB-CE2 3.31Å; P270-Y441 WeakPolarHBondContact CB-OH 3.42Å; P270-Y441 HydrophobicContact CG-CD1 4.48Å; P270-Y441 HydrophobicContact CG-CD2 3.63Å; P270-Y441 HydrophobicContact CG-CE1 4.21Å; P270-Y441 HydrophobicContact CG-CE2 3.29Å; P270-Y441 HydrophobicContact CG-CG 4.23Å; P270-F443 HydrophobicContact CG-CE2 4.41Å; P270-F443 HydrophobicContact CG-CZ 4.11Å
271Q93.3Very high95.1Very high189 Ų18965.9 Ų65.988%0.88335%0.354SS*.THydrogen-bonded Turntrans-57.4139.7175.5-174175.78.300111.2Y273Q271-Y273 VanDerWaalsContact C-N 3.31Å
272G93.4Very high95.1Very high13 Ų1367.4 Ų67.413%0.13436%0.361CS..THydrogen-bonded Turntrans85.30.8-175.100000114I284G272-I284 WeakPolarHBondContact O-CB 3.3Å; G272-I284 PolarHBondContact O-N 3.43Å
273Y95.8Very high95.1Very high14 Ų1463.6 Ų63.66%0.05534%0.335CS..EExtended strand (participates in β ladder)trans-126.6144.8179.4-66.8-105.8000111.6P270 Q271 C281 Q282 D283 Y441 F443P270-Y273 HydrophobicContact CG-CD2 3.73Å; P270-Y273 HydrophobicContact CG-CE2 4.23Å; P270-Y273 HydrophobicContact CG-CG 4.14Å; P270-Y273 PolarHBondContact O-N 3.21Å; P270-Y273 VanDerWaalsContact O-N 3.16Å; Q271-Y273 VanDerWaalsContact C-N 3.31Å; Y273-C281 HydrophobicContact CD1-CB 4.14Å; Y273-C281 HydrophobicContact CG-CB 4.48Å; Y273-Q282 CarbonylContact C-O 3.56Å; Y273-Q282 WeakPolarHBondContact CA-O 3.2Å; Y273-D283 HydrophobicContact CD1-CB 4.4Å; Y273-D283 HydrophobicContact CE1-CB 4.23Å; Y273-Y441 AromaticContact CE2-CD2 3.84Å; Y273-Y441 HydrophobicContact CE2-CD2 3.84Å; Y273-Y441 HydrophobicContact CE2-CE2 4.25Å; Y273-F443 HydrophobicContact CD1-CD2 4.29Å; Y273-F443 AromaticContact CD1-CE2 3.88Å; Y273-F443 HydrophobicContact CD1-CE2 3.88Å; Y273-F443 AromaticContact CE1-CD2 3.94Å; Y273-F443 HydrophobicContact CE1-CD2 3.94Å; Y273-F443 AromaticContact CE1-CE2 3.79Å; Y273-F443 HydrophobicContact CE1-CE2 3.79Å; Y273-F443 HydrophobicContact CG-CE2 4.47Å
274Q95.1Very high95.1Very high94 Ų9465.2 Ų65.244%0.43934%0.338SS..EExtended strand (participates in β ladder)trans-106.1144.6173.762.3177.80.900111.6C281 Q282 I284Q274-C281 WeakPolarHBondContact O-CA 3.47Å; Q274-Q282 HydrophobicContact CG-CB 4.16Å; Q274-Q282 PolarHBondContact N-O 3.42Å; Q274-Q282 VanDerWaalsContact NE2-OE1 3.13Å; Q274-Q282 PolarHBondContact O-N 3.34Å; Q274-I284 HydrophobicContact CB-CD1 4.29Å; Q274-I284 HydrophobicContact CB-CG1 3.99Å; Q274-I284 HydrophobicContact CG-CG1 4.17Å
275L96.8Very high95.2Very high84 Ų8461.7 Ų61.744%0.4433%0.329SS..EExtended strand (participates in β ladder)trans-83.1122.1177.3-174.674.2000110.6C267C267-L275 HydrophobicContact CB-CD1 3.82Å; C267-L275 HydrophobicContact CB-CD2 4.16Å; C267-L275 VanDerWaalsContact O-CD2 3.29Å; C267-L275 WeakPolarHBondContact O-CD2 3.41Å
276L95.6Very high95.2Very high62 Ų6261 Ų6133%0.32533%0.326SS..  trans-82.9160.1172.3-61.3-178.1000111.5T278 R279 L280 Q282L276-T278 PolarHBondContact O-N 3.43Å; L276-R279 WeakPolarHBondContact O-CA 3.02Å; L276-R279 PolarHBondContact O-N 3.21Å; L276-L280 WeakPolarHBondContact CB-O 3.31Å; L276-L280 PolarHBondContact N-O 2.04Å; L276-Q282 HydrophobicContact CD1-CB 4.02Å; L276-Q282 HydrophobicContact CD2-CB 4.26Å; L276-Q282 HydrophobicContact CG-CB 4.06Å
277A93.3Very high95.2Very high111 Ų11161.8 Ų61.892%0.91733%0.331SS*.THydrogen-bonded Turntrans-56.5-25.1173.800000113.3R279A277-R279 PolarHBondContact O-N 3.05Å
278T93.9Very high95.2Very high97 Ų9769.1 Ų69.160%0.59536%0.364SS*.THydrogen-bonded Turntrans-77.73.7174.452.30000114L276 L280L276-T278 PolarHBondContact O-N 3.43Å; T278-L280 PolarHBondContact O-N 3.24Å
279R94.4Very high95.1Very high117 Ų11768.5 Ų68.544%0.44237%0.37SS..SBendtrans63.620.1-175.6-50.9171.9-172.6154.4-0.9114L253 Q255 C267 L276 A277L253-R279 WeakPolarHBondContact O-CD 3.47Å; Q255-R279 PolarHBondContact N-O 3.22Å; C267-R279 HydrophobicContact CB-CB 4.49Å; L276-R279 WeakPolarHBondContact O-CA 3.02Å; L276-R279 PolarHBondContact O-N 3.21Å; A277-R279 PolarHBondContact O-N 3.05Å
280L94.6Very high95Very high81 Ų8169.6 Ų69.642%0.42439%0.386SS..  trans-93.8150.5171.6-59.2-179.8000109.9Q255 L276 T278Q255-L280 HydrophobicContact CB-CD2 4.08Å; Q255-L280 HydrophobicContact CG-CD2 4.32Å; Q255-L280 VanDerWaalsContact OE1-CB 3.27Å; L276-L280 WeakPolarHBondContact CB-O 3.31Å; L276-L280 PolarHBondContact N-O 2.04Å; T278-L280 PolarHBondContact O-N 3.24Å
281C95.8Very high94.9Very high9 Ų972.2 Ų72.26%0.06141%0.408CS..EExtended strand (participates in β ladder)trans-96.3123.8174.8-63.10000109.2C269 Y273 Q274 F443C269-C281 WeakPolarHBondContact CA-SG 3.02Å; C269-C281 HydrophobicContact CB-CB 3.85Å; C269-C281 WeakPolarHBondContact CB-SG 3.34Å; C269-C281 WeakPolarHBondContact SG-CA 3Å; C269-C281 WeakPolarHBondContact SG-CB 3.42Å; C269-C281 CovalentContact SG-SG 2.04Å; C269-C281 PolarHBondContact SG-SG 2.84Å; Y273-C281 HydrophobicContact CD1-CB 4.14Å; Y273-C281 HydrophobicContact CG-CB 4.48Å; Q274-C281 WeakPolarHBondContact O-CA 3.47Å; C281-F443 HydrophobicContact CB-CD2 3.99Å; C281-F443 HydrophobicContact CB-CE2 3.43Å; C281-F443 VanDerWaalsContact CB-CE2 3.43Å; C281-F443 HydrophobicContact CB-CZ 4.1Å
282Q94.4Very high95Very high94 Ų9466.2 Ų66.244%0.43938%0.38SS..EExtended strand (participates in β ladder)trans-110.3136.4174.2-171.3-176.825.900109.2Y273 Q274 L276 I284Y273-Q282 CarbonylContact C-O 3.56Å; Y273-Q282 WeakPolarHBondContact CA-O 3.2Å; Q274-Q282 HydrophobicContact CG-CB 4.16Å; Q274-Q282 PolarHBondContact N-O 3.42Å; Q274-Q282 VanDerWaalsContact NE2-OE1 3.13Å; Q274-Q282 PolarHBondContact O-N 3.34Å; L276-Q282 HydrophobicContact CD1-CB 4.02Å; L276-Q282 HydrophobicContact CD2-CB 4.26Å; L276-Q282 HydrophobicContact CG-CB 4.06Å; Q282-I284 PolarHBondContact O-N 3.44Å
283D95.4Very high95.1Very high25 Ų2574 Ų7413%0.13441%0.413CS..EExtended strand (participates in β ladder)trans-54.2135.9170.8-174.364.3000111.1Y273 N302 F303 H304 G305Y273-D283 HydrophobicContact CD1-CB 4.4Å; Y273-D283 HydrophobicContact CE1-CB 4.23Å; D283-N302 PolarHBondContact OD2-ND2 3.41Å; D283-F303 VanDerWaalsContact OD1-O 3.13Å; D283-H304 WeakPolarHBondContact OD1-CA 3.31Å; D283-G305 PolarHBondContact OD1-N 2.96Å
284I95.6Very high95.1Very high54 Ų5474.5 Ų74.528%0.27742%0.418SS..  trans-86.2115.8173.9-63.1170.7000106.9G272 Q274 Q282 E286G272-I284 WeakPolarHBondContact O-CB 3.3Å; G272-I284 PolarHBondContact O-N 3.43Å; Q274-I284 HydrophobicContact CB-CD1 4.29Å; Q274-I284 HydrophobicContact CB-CG1 3.99Å; Q274-I284 HydrophobicContact CG-CG1 4.17Å; Q282-I284 PolarHBondContact O-N 3.44Å; I284-E286 HydrophobicContact CG2-CG 4.28Å; I284-E286 PolarHBondContact O-N 2.73Å; I284-E286 VanDerWaalsContact O-OE2 3.11Å
285D96.2Very high95.1Very high58 Ų5872.9 Ų72.931%0.3142%0.417SS..  trans-7695.2172.6-163.4-44000109.8C287 E288 S289 N302D285-C287 PolarHBondContact O-N 2.59Å; D285-C287 WeakPolarHBondContact OD1-CA 3.46Å; D285-C287 VanDerWaalsContact OD1-CB 3.31Å; D285-C287 WeakPolarHBondContact OD1-CB 3.4Å; D285-C287 PolarHBondContact OD1-N 2.85Å; D285-E288 HydrophobicContact CB-CB 3.95Å; D285-E288 PolarHBondContact O-N 3.27Å; D285-E288 PolarHBondContact OD1-N 3.05Å; D285-S289 WeakPolarHBondContact O-CB 3.3Å; D285-S289 PolarHBondContact O-N 3.45Å; D285-S289 PolarHBondContact O-OG 2.74Å; D285-N302 VanDerWaalsContact CG-ND2 3.32Å; D285-N302 PolarHBondContact OD2-ND2 3.29Å
286E96.1Very high94.8Very high21 Ų2178.5 Ų78.510%0.09844%0.441CS..Hα-helixtrans-67.7-23.3180-59.594.7164.800112.4I284 S289 G290 A291 H292 N302 G306 Y307I284-E286 HydrophobicContact CG2-CG 4.28Å; I284-E286 PolarHBondContact O-N 2.73Å; I284-E286 VanDerWaalsContact O-OE2 3.11Å; E286-S289 VanDerWaalsContact CA-OG 3.31Å; E286-S289 WeakPolarHBondContact CA-OG 3.06Å; E286-S289 PolarHBondContact O-OG 3.22Å; E286-G290 CarbonylContact O-C 3.54Å; E286-G290 PolarHBondContact O-N 3.42Å; E286-G290 VanDerWaalsContact O-N 3.13Å; E286-A291 HydrophobicContact CB-CB 4.39Å; E286-A291 HydrophobicContact CG-CB 4.49Å; E286-A291 PolarHBondContact O-N 3.17Å; E286-H292 HydrophobicContact CB-CB 4.39Å; E286-H292 PolarHBondContact O-CD2 2.71Å; E286-H292 VanDerWaalsContact O-CD2 3.3Å; E286-H292 PolarHBondContact O-N 3.23Å; E286-N302 PolarHBondContact OE2-OD1 2.83Å; E286-G306 WeakPolarHBondContact OE1-CA 3.37Å; E286-Y307 HydrophobicContact CB-CD1 3.5Å; E286-Y307 VanDerWaalsContact CB-CD1 3.5Å; E286-Y307 HydrophobicContact CB-CE1 4.13Å; E286-Y307 HydrophobicContact CB-CG 3.97Å; E286-Y307 HydrophobicContact CG-CD1 3.62Å; E286-Y307 HydrophobicContact CG-CE1 4.16Å; E286-Y307 WeakPolarHBondContact OE2-CB 3.46Å; E286-Y307 PolarHBondContact OE2-N 2.96Å
287C95.9Very high94.5Very high34 Ų3478.3 Ų78.323%0.2345%0.448CS..Hα-helixtrans-75.1-39.8177.4-55.80000111.8D285 C300 V301 N302D285-C287 PolarHBondContact O-N 2.59Å; D285-C287 WeakPolarHBondContact OD1-CA 3.46Å; D285-C287 VanDerWaalsContact OD1-CB 3.31Å; D285-C287 WeakPolarHBondContact OD1-CB 3.4Å; D285-C287 PolarHBondContact OD1-N 2.85Å; C287-C300 WeakPolarHBondContact CA-SG 3.4Å; C287-C300 HydrophobicContact CB-CB 3.74Å; C287-C300 WeakPolarHBondContact CB-SG 3.32Å; C287-C300 WeakPolarHBondContact SG-CB 3.21Å; C287-C300 CovalentContact SG-SG 2.04Å; C287-C300 PolarHBondContact SG-SG 2.8Å; C287-V301 VanDerWaalsContact SG-C 3.5Å; C287-V301 PolarHBondContact SG-N 3.39Å; C287-V301 VanDerWaalsContact SG-N 3.43Å; C287-N302 HydrophobicContact CB-CB 4.43Å; C287-N302 PolarHBondContact SG-N 2.88Å
288E96.3Very high94.6Very high169 Ų16975.9 Ų75.979%0.7942%0.418SS*.Hα-helixtrans-75-40.4175.8-172.6175.3-175.200111.8D285 G290D285-E288 HydrophobicContact CB-CB 3.95Å; D285-E288 PolarHBondContact O-N 3.27Å; D285-E288 PolarHBondContact OD1-N 3.05Å; E288-G290 VanDerWaalsContact C-N 3.26Å; E288-G290 PolarHBondContact O-N 3.41Å
289S94.5Very high94.5Very high76 Ų7674 Ų7453%0.53141%0.407SS..Hα-helixtrans-75.7-12.6179.760.20000114.1D285 E286 A291D285-S289 WeakPolarHBondContact O-CB 3.3Å; D285-S289 PolarHBondContact O-N 3.45Å; D285-S289 PolarHBondContact O-OG 2.74Å; E286-S289 VanDerWaalsContact CA-OG 3.31Å; E286-S289 WeakPolarHBondContact CA-OG 3.06Å; E286-S289 PolarHBondContact O-OG 3.22Å; S289-A291 PolarHBondContact O-N 2.85Å
290G93.1Very high94.6Very high50 Ų5069.7 Ų69.752%0.51539%0.394SS..THydrogen-bonded Turntrans70.814.2-175.100000113.7E286 E288 H292E286-G290 CarbonylContact O-C 3.54Å; E286-G290 PolarHBondContact O-N 3.42Å; E286-G290 VanDerWaalsContact O-N 3.13Å; E288-G290 VanDerWaalsContact C-N 3.26Å; E288-G290 PolarHBondContact O-N 3.41Å; G290-H292 PolarHBondContact O-N 3.03Å
291A93.3Very high94.6Very high64 Ų6466.9 Ų66.953%0.52938%0.38SS..  trans-81.816.7178.300000113.3E286 S289E286-A291 HydrophobicContact CB-CB 4.39Å; E286-A291 HydrophobicContact CG-CB 4.49Å; E286-A291 PolarHBondContact O-N 3.17Å; S289-A291 PolarHBondContact O-N 2.85Å
292H94.8Very high94.6Very high63 Ų6368.4 Ų68.429%0.29239%0.388SS..  trans-94.6151.9-18066.983.3000112.4E286 G290 C294 Y307E286-H292 HydrophobicContact CB-CB 4.39Å; E286-H292 PolarHBondContact O-CD2 2.71Å; E286-H292 VanDerWaalsContact O-CD2 3.3Å; E286-H292 PolarHBondContact O-N 3.23Å; G290-H292 PolarHBondContact O-N 3.03Å; H292-C294 WeakPolarHBondContact ND1-CB 3.06Å; H292-C294 PolarHBondContact ND1-N 2.85Å; H292-Y307 HydrophobicContact CB-CD1 4.49Å; H292-Y307 HydrophobicContact CB-CD2 3.67Å; H292-Y307 HydrophobicContact CB-CE1 4.37Å; H292-Y307 HydrophobicContact CB-CE2 3.55Å; H292-Y307 HydrophobicContact CB-CG 4.16Å
293Q95.7Very high94.6Very high178 Ų17866 Ų6683%0.83238%0.376SS*.  trans-104.733.7179.5-62.2179.66.500112.8Y307Q293-Y307 PolarHBondContact N-OH 2.78Å
294C95.5Very high94.5Very high24 Ų2467.1 Ų67.116%0.16238%0.38CS..  trans-77140.8-180-54.30000111.8H292 Q298 C309H292-C294 WeakPolarHBondContact ND1-CB 3.06Å; H292-C294 PolarHBondContact ND1-N 2.85Å; C294-Q298 HydrophobicContact CB-CB 4.14Å; C294-C309 WeakPolarHBondContact CA-SG 3.33Å; C294-C309 HydrophobicContact CB-CB 3.73Å; C294-C309 WeakPolarHBondContact CB-SG 3.48Å; C294-C309 PolarHBondContact N-SG 3Å; C294-C309 WeakPolarHBondContact SG-CA 3.42Å; C294-C309 WeakPolarHBondContact SG-CB 3.44Å; C294-C309 CovalentContact SG-SG 2.04Å; C294-C309 PolarHBondContact SG-SG 3.05Å
295S95.6Very high94.2Very high59 Ų5966 Ų6641%0.41338%0.383SS..  trans-72.5164.8173.165.40000112.2A297 Q298S295-A297 PolarHBondContact O-N 3.27Å; S295-Q298 VanDerWaalsContact N-OE1 3.09Å; S295-Q298 WeakPolarHBondContact O-CB 3.41Å; S295-Q298 PolarHBondContact O-N 3.01Å; S295-Q298 WeakPolarHBondContact OG-CG 3.38Å; S295-Q298 PolarHBondContact OG-OE1 3.33Å
296E90.1Very high94.1Very high203 Ų20363.7 Ų63.795%0.94937%0.372SS*.THydrogen-bonded Turntrans-60.7-24.4176.3-63.7-172.7166.300113.4Q298E296-Q298 PolarHBondContact O-N 3.31Å
297A91.1Very high94Very high58 Ų5865.9 Ų65.948%0.47938%0.38SS..THydrogen-bonded Turntrans-83.74.1175.900000113.2S295 T312S295-A297 PolarHBondContact O-N 3.27Å; A297-T312 WeakPolarHBondContact O-CB 3.06Å; A297-T312 VanDerWaalsContact O-CG2 3.29Å; A297-T312 WeakPolarHBondContact O-CG2 3.22Å; A297-T312 PolarHBondContact O-N 2.88Å; A297-T312 PolarHBondContact O-OG1 2.04Å
298Q94.1Very high93.9Very high59 Ų5969 Ų6928%0.27639%0.387SS..EExtended strand (participates in β ladder)trans-123.4147.5-175.4-71.6170.5-30.400111.7C294 S295 E296 C309 V310 D311C294-Q298 HydrophobicContact CB-CB 4.14Å; S295-Q298 VanDerWaalsContact N-OE1 3.09Å; S295-Q298 WeakPolarHBondContact O-CB 3.41Å; S295-Q298 PolarHBondContact O-N 3.01Å; S295-Q298 WeakPolarHBondContact OG-CG 3.38Å; S295-Q298 PolarHBondContact OG-OE1 3.33Å; E296-Q298 PolarHBondContact O-N 3.31Å; Q298-C309 HydrophobicContact CB-CB 4.16Å; Q298-C309 HydrophobicContact CG-CB 4.45Å; Q298-V310 CarbonylContact C-O 3.54Å; Q298-V310 WeakPolarHBondContact CA-O 3.37Å; Q298-D311 WeakPolarHBondContact CG-OD1 3.45Å; Q298-D311 PolarHBondContact NE2-OD1 2.92Å
299T92.9Very high93.8Very high59 Ų5962.7 Ų62.736%0.36236%0.361SS..EExtended strand (participates in β ladder)trans-100.2138.5169.5-44.40000109.2V310T299-V310 PolarHBondContact N-O 2.89Å; T299-V310 WeakPolarHBondContact O-CG2 3.04Å; T299-V310 PolarHBondContact O-N 3.05Å
300C95.3Very high93.7Very high26 Ų2659.9 Ų59.918%0.17634%0.341CS..EExtended strand (participates in β ladder)trans-81.1136.8173.6-171.90000110.7C287C287-C300 WeakPolarHBondContact CA-SG 3.4Å; C287-C300 HydrophobicContact CB-CB 3.74Å; C287-C300 WeakPolarHBondContact CB-SG 3.32Å; C287-C300 WeakPolarHBondContact SG-CB 3.21Å; C287-C300 CovalentContact SG-SG 2.04Å; C287-C300 PolarHBondContact SG-SG 2.8Å
301V94.7Very high93.6Very high22 Ų2261.9 Ų61.913%0.13334%0.34CS..EExtended strand (participates in β ladder)trans-126.4116.8172174.10000108.5C287 Y307 R308 V310 Y347 F437C287-V301 VanDerWaalsContact SG-C 3.5Å; C287-V301 PolarHBondContact SG-N 3.39Å; C287-V301 VanDerWaalsContact SG-N 3.43Å; V301-Y307 CarbonylContact O-C 3.51Å; V301-Y307 WeakPolarHBondContact O-CA 3.02Å; V301-R308 PolarHBondContact N-O 2.87Å; V301-R308 PolarHBondContact O-N 3.45Å; V301-V310 HydrophobicContact CB-CG2 4.48Å; V301-V310 HydrophobicContact CG2-CG2 3.52Å; V301-Y347 HydrophobicContact CG1-CD1 4.14Å; V301-Y347 HydrophobicContact CG1-CD2 4.33Å; V301-Y347 HydrophobicContact CG1-CG 3.77Å; V301-Y347 HydrophobicContact CG2-CD1 4.46Å; V301-Y347 HydrophobicContact CG2-CD2 3.85Å; V301-Y347 HydrophobicContact CG2-CE2 4.08Å; V301-Y347 HydrophobicContact CG2-CG 4.06Å; V301-F437 HydrophobicContact CG1-CE2 4.21Å
302N95.3Very high93.4Very high41 Ų4161.9 Ų61.922%0.21933%0.333CS..EExtended strand (participates in β ladder)trans-81.4146.3176.8-173.141.4000111.5D283 D285 E286 C287 G306D283-N302 PolarHBondContact OD2-ND2 3.41Å; D285-N302 VanDerWaalsContact CG-ND2 3.32Å; D285-N302 PolarHBondContact OD2-ND2 3.29Å; E286-N302 PolarHBondContact OE2-OD1 2.83Å; C287-N302 HydrophobicContact CB-CB 4.43Å; C287-N302 PolarHBondContact SG-N 2.88Å; N302-G306 PolarHBondContact OD1-O 3.48Å
303F94.3Very high93.1Very high42 Ų4263.4 Ų63.418%0.18434%0.343CS..EExtended strand (participates in β ladder)trans-151169.2172.961.6-99000111.2D283 G305 G306 Y307 R308 F437D283-F303 VanDerWaalsContact OD1-O 3.13Å; F303-G305 PolarHBondContact O-N 2.91Å; F303-G306 CarbonylContact C-O 3.58Å; F303-G306 WeakPolarHBondContact CA-O 3.42Å; F303-G306 VanDerWaalsContact CD1-O 3.27Å; F303-G306 WeakPolarHBondContact CD1-O 3.02Å; F303-G306 WeakPolarHBondContact CD2-O 3.39Å; F303-G306 VanDerWaalsContact CG-O 3.23Å; F303-G306 WeakPolarHBondContact CG-O 3.18Å; F303-G306 PolarHBondContact N-O 2.88Å; F303-G306 PolarHBondContact O-N 2.96Å; F303-Y307 WeakPolarHBondContact CE1-O 3.34Å; F303-R308 HydrophobicContact CE1-CB 3.98Å; F303-F437 HydrophobicContact CB-CB 3.71Å; F303-F437 HydrophobicContact CB-CD2 3.87Å; F303-F437 HydrophobicContact CB-CG 3.92Å; F303-F437 HydrophobicContact CD1-CB 4.38Å; F303-F437 HydrophobicContact CD1-CD1 4.07Å; F303-F437 AromaticContact CD1-CD2 3.92Å; F303-F437 HydrophobicContact CD1-CD2 3.92Å; F303-F437 HydrophobicContact CD1-CE1 4.36Å; F303-F437 HydrophobicContact CD1-CE2 4.19Å; F303-F437 AromaticContact CD1-CG 3.85Å; F303-F437 HydrophobicContact CD1-CG 3.85Å; F303-F437 HydrophobicContact CD1-CZ 4.42Å; F303-F437 HydrophobicContact CD2-CB 4.09Å; F303-F437 HydrophobicContact CD2-CG 4.39Å; F303-F437 HydrophobicContact CE1-CD1 4.26Å; F303-F437 HydrophobicContact CE1-CE1 4.38Å; F303-F437 HydrophobicContact CE1-CG 4.48Å; F303-F437 HydrophobicContact CG-CB 3.81Å; F303-F437 HydrophobicContact CG-CD1 4.31Å; F303-F437 HydrophobicContact CG-CD2 4.06Å; F303-F437 AromaticContact CG-CG 3.8Å; F303-F437 HydrophobicContact CG-CG 3.8Å
304H93.3Very high92.7Very high49 Ų4956.4 Ų56.423%0.22731%0.309CS..THydrogen-bonded Turntrans-62.6109.7-176.8-74.3-46.5000112.3D283 T349D283-H304 WeakPolarHBondContact OD1-CA 3.31Å; H304-T349 WeakPolarHBondContact CB-OG1 3.46Å; H304-T349 VanDerWaalsContact CD2-CG2 3.5Å; H304-T349 WeakPolarHBondContact CD2-CG2 3.29Å; H304-T349 PolarHBondContact CD2-OG1 3.08Å; H304-T349 PolarHBondContact N-OG1 3.08Å; H304-T349 VanDerWaalsContact N-OG1 3.11Å
305G90.6Very high92.5Very high32 Ų3256.2 Ų56.233%0.3331%0.308SS..THydrogen-bonded Turntrans93.98.7-179.300000115.1D283 F303D283-G305 PolarHBondContact OD1-N 2.96Å; F303-G305 PolarHBondContact O-N 2.91Å
306G93.5Very high92.3Very high9 Ų958.6 Ų58.69%0.09332%0.32CS..EExtended strand (participates in β ladder)trans161.1-166170.600000115.4E286 N302 F303E286-G306 WeakPolarHBondContact OE1-CA 3.37Å; N302-G306 PolarHBondContact OD1-O 3.48Å; F303-G306 CarbonylContact C-O 3.58Å; F303-G306 WeakPolarHBondContact CA-O 3.42Å; F303-G306 VanDerWaalsContact CD1-O 3.27Å; F303-G306 WeakPolarHBondContact CD1-O 3.02Å; F303-G306 WeakPolarHBondContact CD2-O 3.39Å; F303-G306 VanDerWaalsContact CG-O 3.23Å; F303-G306 WeakPolarHBondContact CG-O 3.18Å; F303-G306 PolarHBondContact N-O 2.88Å; F303-G306 PolarHBondContact O-N 2.96Å
307Y95Very high92.3Very high66 Ų6656.5 Ų56.526%0.25931%0.31SS..EExtended strand (participates in β ladder)trans-127.1163.4-177.669.8-80.1000112.9E286 H292 Q293 V301 F303E286-Y307 HydrophobicContact CB-CD1 3.5Å; E286-Y307 VanDerWaalsContact CB-CD1 3.5Å; E286-Y307 HydrophobicContact CB-CE1 4.13Å; E286-Y307 HydrophobicContact CB-CG 3.97Å; E286-Y307 HydrophobicContact CG-CD1 3.62Å; E286-Y307 HydrophobicContact CG-CE1 4.16Å; E286-Y307 WeakPolarHBondContact OE2-CB 3.46Å; E286-Y307 PolarHBondContact OE2-N 2.96Å; H292-Y307 HydrophobicContact CB-CD1 4.49Å; H292-Y307 HydrophobicContact CB-CD2 3.67Å; H292-Y307 HydrophobicContact CB-CE1 4.37Å; H292-Y307 HydrophobicContact CB-CE2 3.55Å; H292-Y307 HydrophobicContact CB-CG 4.16Å; Q293-Y307 PolarHBondContact N-OH 2.78Å; V301-Y307 CarbonylContact O-C 3.51Å; V301-Y307 WeakPolarHBondContact O-CA 3.02Å; F303-Y307 WeakPolarHBondContact CE1-O 3.34Å
308R93.7Very high92.3Very high101 Ų10154.7 Ų54.738%0.38129%0.293SS..EExtended strand (participates in β ladder)trans-130.4135.6169.6-176.5172.9-84.1-1661.5111.3V301 F303 V310 E410 F437V301-R308 PolarHBondContact N-O 2.87Å; V301-R308 PolarHBondContact O-N 3.45Å; F303-R308 HydrophobicContact CE1-CB 3.98Å; R308-V310 HydrophobicContact CG-CG1 4.07Å; R308-E410 IonicContact CZ-OE1 3.74Å; R308-E410 IonicContact CZ-OE2 3.84Å; R308-E410 IonicContact NH1-OE1 3.97Å; R308-E410 PolarHBondContact NH1-OE1 3.49Å; R308-E410 IonicContact NH1-OE2 3.83Å; R308-E410 PolarHBondContact NH1-OE2 3.02Å; R308-E410 IonicContact NH2-OE2 3.39Å; R308-E410 PolarHBondContact NH2-OE2 3.03Å; R308-F437 HydrophobicContact CB-CZ 4.39Å
309C94.5Very high92.3Very high36 Ų3653.2 Ų53.224%0.24329%0.285CS..EExtended strand (participates in β ladder)trans-86.1122.8167.7-52.40000109.3C294 Q298C294-C309 WeakPolarHBondContact CA-SG 3.33Å; C294-C309 HydrophobicContact CB-CB 3.73Å; C294-C309 WeakPolarHBondContact CB-SG 3.48Å; C294-C309 PolarHBondContact N-SG 3Å; C294-C309 WeakPolarHBondContact SG-CA 3.42Å; C294-C309 WeakPolarHBondContact SG-CB 3.44Å; C294-C309 CovalentContact SG-SG 2.04Å; C294-C309 PolarHBondContact SG-SG 3.05Å; Q298-C309 HydrophobicContact CB-CB 4.16Å; Q298-C309 HydrophobicContact CG-CB 4.45Å
310V92.3Very high92.4Very high17 Ų1754.3 Ų54.310%0.10329%0.292CS..EExtended strand (participates in β ladder)trans-121.6134.8-179.4-770000109Q298 T299 V301 R308 Y347Q298-V310 CarbonylContact C-O 3.54Å; Q298-V310 WeakPolarHBondContact CA-O 3.37Å; T299-V310 PolarHBondContact N-O 2.89Å; T299-V310 WeakPolarHBondContact O-CG2 3.04Å; T299-V310 PolarHBondContact O-N 3.05Å; V301-V310 HydrophobicContact CB-CG2 4.48Å; V301-V310 HydrophobicContact CG2-CG2 3.52Å; R308-V310 HydrophobicContact CG-CG1 4.07Å; V310-Y347 HydrophobicContact CG1-CE1 3.98Å; V310-Y347 HydrophobicContact CG2-CE2 4.47Å
311D91.2Very high92.2Very high92 Ų9256 Ų5649%0.49230%0.297SS..EExtended strand (participates in β ladder)trans-59.3142.3-176.5-60.8-35.7000111.5Q298 N313 R314Q298-D311 WeakPolarHBondContact CG-OD1 3.45Å; Q298-D311 PolarHBondContact NE2-OD1 2.92Å; D311-N313 VanDerWaalsContact C-N 3.3Å; D311-N313 PolarHBondContact O-N 3.18Å; D311-R314 WeakPolarHBondContact O-CG 3.42Å
312T88.3Confident92.1Very high63 Ų6358.7 Ų58.739%0.38731%0.313SS..SBendtrans-61.8-38.717744.90000111.6A297 Q321A297-T312 WeakPolarHBondContact O-CB 3.06Å; A297-T312 VanDerWaalsContact O-CG2 3.29Å; A297-T312 WeakPolarHBondContact O-CG2 3.22Å; A297-T312 PolarHBondContact O-N 2.88Å; A297-T312 PolarHBondContact O-OG1 2.04Å; T312-Q321 PolarHBondContact O-NE2 3.45Å
313N88.4Confident91.9Very high95 Ų9559.5 Ų59.551%0.50832%0.323SS..  trans-96.6100.6171-175.34.6000111.5D311 C315 Q321D311-N313 VanDerWaalsContact C-N 3.3Å; D311-N313 PolarHBondContact O-N 3.18Å; N313-C315 PolarHBondContact OD1-N 3.22Å; N313-C315 VanDerWaalsContact OD1-N 3.12Å; N313-Q321 VanDerWaalsContact CA-OE1 3.32Å; N313-Q321 PolarHBondContact OD1-OE1 3.14Å
314R87.1Confident91.5Very high32 Ų3263.2 Ų63.212%0.12134%0.344CS..  trans-93.7-3.4-178.2-55.6177.4172.183.88.6113.5D311 D324 N325 Y347D311-R314 WeakPolarHBondContact O-CG 3.42Å; R314-D324 PolarHBondContact NH1-O 3.05Å; R314-N325 PolarHBondContact NH1-OD1 2.8Å; R314-N325 VanDerWaalsContact NH1-OD1 3.11Å; R314-Y347 PolarHBondContact NE-OH 2.98Å
315C91Very high91.3Very high19 Ų1963.4 Ų63.413%0.12835%0.347CS..PPolyproline II helixtrans-89.8127.2-171.4-53.40000110.2N313 Q321 C327N313-C315 PolarHBondContact OD1-N 3.22Å; N313-C315 VanDerWaalsContact OD1-N 3.12Å; C315-Q321 HydrophobicContact CB-CB 4.33Å; C315-Q321 WeakPolarHBondContact SG-CA 3.49Å; C315-Q321 WeakPolarHBondContact SG-CB 3.45Å; C315-C327 WeakPolarHBondContact CA-SG 3.38Å; C315-C327 HydrophobicContact CB-CB 3.88Å; C315-C327 WeakPolarHBondContact CB-SG 3.37Å; C315-C327 VanDerWaalsContact SG-CA 3.53Å; C315-C327 WeakPolarHBondContact SG-CB 3.3Å; C315-C327 CovalentContact SG-SG 2.03Å; C315-C327 PolarHBondContact SG-SG 2.9Å
316V90.9Very high91.4Very high110 Ų11067.4 Ų67.467%0.66735%0.352SS*.PPolyproline II helixtrans-98.4142.6174.2-175.50000108.5Y319V316-Y319 VanDerWaalsContact O-CB 3.31Å; V316-Y319 WeakPolarHBondContact O-CB 3.2Å; V316-Y319 WeakPolarHBondContact O-CD2 3.28Å; V316-Y319 PolarHBondContact O-N 3.15Å
317E90.1Very high91.5Very high159 Ų15967.1 Ų67.174%0.74335%0.348SS*.THydrogen-bonded Turntrans-48.6132.2172.6-169.7179.4175.300110.4
318P92.9Very high91.5Very high20 Ų2066.6 Ų66.613%0.1335%0.35CS..THydrogen-bonded Turncis-91.11014.737.2-37.9000115.9N333 L335P318-N333 WeakPolarHBondContact CB-ND2 3.25Å; P318-L335 HydrophobicContact CB-CB 3.83Å; P318-L335 HydrophobicContact CB-CD1 4.3Å; P318-L335 HydrophobicContact CG-CB 3.99Å
319Y94.1Very high91.5Very high28 Ų2862.5 Ų62.511%0.1134%0.337CS..  trans-80.8141.9-176.2-67.6-89.8000112.8V316 C327 L328 C329 P340 I343V316-Y319 VanDerWaalsContact O-CB 3.31Å; V316-Y319 WeakPolarHBondContact O-CB 3.2Å; V316-Y319 WeakPolarHBondContact O-CD2 3.28Å; V316-Y319 PolarHBondContact O-N 3.15Å; Y319-C327 HydrophobicContact CD1-CB 4.16Å; Y319-C327 HydrophobicContact CG-CB 4.32Å; Y319-L328 WeakPolarHBondContact CA-O 3.47Å; Y319-C329 HydrophobicContact CD1-CB 3.89Å; Y319-C329 HydrophobicContact CE1-CB 3.61Å; Y319-P340 WeakPolarHBondContact CE1-O 3.45Å; Y319-P340 VanDerWaalsContact OH-CD 3.28Å; Y319-P340 WeakPolarHBondContact OH-CD 3.28Å; Y319-P340 PolarHBondContact OH-O 3.33Å; Y319-I343 HydrophobicContact CD1-CD1 4.24Å; Y319-I343 HydrophobicContact CD1-CG1 4.29Å; Y319-I343 HydrophobicContact CD2-CD1 4.04Å; Y319-I343 HydrophobicContact CE1-CD1 3.77Å; Y319-I343 HydrophobicContact CE1-CG1 3.72Å; Y319-I343 HydrophobicContact CE2-CD1 3.54Å; Y319-I343 HydrophobicContact CE2-CG1 4.41Å; Y319-I343 HydrophobicContact CG-CD1 4.36Å
320V93.8Very high91.4Very high82 Ų8262.8 Ų62.850%0.49734%0.338SS..EExtended strand (participates in β ladder)trans-110.1134.2175.1-176.70000109.2V322 C327 L328 P330V320-V322 PolarHBondContact O-N 2.03Å; V320-C327 WeakPolarHBondContact O-CA 3.44Å; V320-L328 PolarHBondContact N-O 3.31Å; V320-L328 PolarHBondContact O-N 2.02Å; V320-P330 HydrophobicContact CB-CG 4.48Å; V320-P330 HydrophobicContact CG2-CG 3.82Å
321Q92.3Very high91.2Very high60 Ų6067.2 Ų67.228%0.2838%0.377SS..EExtended strand (participates in β ladder)trans-71.1126.9176.8-166.5171.115.700110.6T312 N313 C315 S323 D324T312-Q321 PolarHBondContact O-NE2 3.45Å; N313-Q321 VanDerWaalsContact CA-OE1 3.32Å; N313-Q321 PolarHBondContact OD1-OE1 3.14Å; C315-Q321 HydrophobicContact CB-CB 4.33Å; C315-Q321 WeakPolarHBondContact SG-CA 3.49Å; C315-Q321 WeakPolarHBondContact SG-CB 3.45Å; Q321-S323 WeakPolarHBondContact CG-O 3.47Å; Q321-S323 PolarHBondContact NE2-O 3.31Å; Q321-D324 PolarHBondContact NE2-O 3.34Å
322V92.2Very high91.1Very high79 Ų7968.1 Ų68.148%0.47939%0.39SS..EExtended strand (participates in β ladder)trans-112.8-21.3174.9-63.60000113.2V320 R326 L328V320-V322 PolarHBondContact O-N 2.03Å; V322-R326 HydrophobicContact CG2-CB 3.88Å; V322-R326 HydrophobicContact CG2-CG 3.68Å; V322-R326 WeakPolarHBondContact CG2-O 3.27Å; V322-R326 PolarHBondContact N-O 2.84Å; V322-L328 HydrophobicContact CB-CD1 4.27Å; V322-L328 HydrophobicContact CB-CG 4.37Å; V322-L328 HydrophobicContact CG1-CB 4.05Å; V322-L328 HydrophobicContact CG1-CD1 3.59Å; V322-L328 HydrophobicContact CG1-CG 3.78Å; V322-L328 HydrophobicContact CG2-CD1 3.91Å; V322-L328 HydrophobicContact CG2-CG 3.69Å
323S90.6Very high91.3Very high59 Ų5967.1 Ų67.141%0.41338%0.382SS..EExtended strand (participates in β ladder)trans-152.2171.116772.40000109.4Q321 N325 R326Q321-S323 WeakPolarHBondContact CG-O 3.47Å; Q321-S323 PolarHBondContact NE2-O 3.31Å; S323-N325 PolarHBondContact O-N 3.38Å; S323-R326 PolarHBondContact N-O 3.16Å; S323-R326 PolarHBondContact O-N 3.08Å; S323-R326 WeakPolarHBondContact OG-CB 3.03Å; S323-R326 PolarHBondContact OG-N 2.03Å
324D85.5Confident91.4Very high120 Ų12067.8 Ų67.864%0.64239%0.392SS*.THydrogen-bonded Turntrans-48-36.4-175.7-58.9-16.8000113.8R314 Q321R314-D324 PolarHBondContact NH1-O 3.05Å; Q321-D324 PolarHBondContact NE2-O 3.34Å
325N90Very high91.6Very high53 Ų5371.3 Ų71.328%0.28341%0.412SS..THydrogen-bonded Turntrans-116.56.2-176.8-69.3-26.3000113.9R314 S323 V344 H345R314-N325 PolarHBondContact NH1-OD1 2.8Å; R314-N325 VanDerWaalsContact NH1-OD1 3.11Å; S323-N325 PolarHBondContact O-N 3.38Å; N325-V344 CarbonylContact O-C 3.48Å; N325-V344 VanDerWaalsContact O-CA 3.27Å; N325-V344 WeakPolarHBondContact O-CA 3.32Å; N325-H345 WeakPolarHBondContact CB-O 3.03Å; N325-H345 PolarHBondContact O-N 3.31Å
326R93.1Very high91.6Very high116 Ų11671 Ų7144%0.43841%0.41SS..EExtended strand (participates in β ladder)trans-126.7124.8-175.6-171.1176.1177.8178.6-0.3111.6V322 S323 V344V322-R326 HydrophobicContact CG2-CB 3.88Å; V322-R326 HydrophobicContact CG2-CG 3.68Å; V322-R326 WeakPolarHBondContact CG2-O 3.27Å; V322-R326 PolarHBondContact N-O 2.84Å; S323-R326 PolarHBondContact N-O 3.16Å; S323-R326 PolarHBondContact O-N 3.08Å; S323-R326 WeakPolarHBondContact OG-CB 3.03Å; S323-R326 PolarHBondContact OG-N 2.03Å; R326-V344 HydrophobicContact CG-CG2 4.12Å
327C95.1Very high91.4Very high2 Ų276.2 Ų76.21%0.01442%0.418CS..EExtended strand (participates in β ladder)trans-109.5134.3173.5-54.80000108.8C315 Y319 V320 S342 I343C315-C327 WeakPolarHBondContact CA-SG 3.38Å; C315-C327 HydrophobicContact CB-CB 3.88Å; C315-C327 WeakPolarHBondContact CB-SG 3.37Å; C315-C327 VanDerWaalsContact SG-CA 3.53Å; C315-C327 WeakPolarHBondContact SG-CB 3.3Å; C315-C327 CovalentContact SG-SG 2.03Å; C315-C327 PolarHBondContact SG-SG 2.9Å; Y319-C327 HydrophobicContact CD1-CB 4.16Å; Y319-C327 HydrophobicContact CG-CB 4.32Å; V320-C327 WeakPolarHBondContact O-CA 3.44Å; C327-S342 CarbonylContact O-C 3.56Å; C327-S342 VanDerWaalsContact O-CA 3.25Å; C327-S342 WeakPolarHBondContact O-CA 3.42Å; C327-I343 HydrophobicContact CB-CB 4.25Å; C327-I343 PolarHBondContact N-O 3.38Å; C327-I343 PolarHBondContact O-N 2.91Å
328L94.6Very high91.2Very high56 Ų5676.6 Ų76.629%0.29342%0.42SS..EExtended strand (participates in β ladder)trans-113.6144173.4-68.9-176.1000110.3Y319 V320 V322 P330 S342Y319-L328 WeakPolarHBondContact CA-O 3.47Å; V320-L328 PolarHBondContact N-O 3.31Å; V320-L328 PolarHBondContact O-N 2.02Å; V322-L328 HydrophobicContact CB-CD1 4.27Å; V322-L328 HydrophobicContact CB-CG 4.37Å; V322-L328 HydrophobicContact CG1-CB 4.05Å; V322-L328 HydrophobicContact CG1-CD1 3.59Å; V322-L328 HydrophobicContact CG1-CG 3.78Å; V322-L328 HydrophobicContact CG2-CD1 3.91Å; V322-L328 HydrophobicContact CG2-CG 3.69Å; L328-P330 WeakPolarHBondContact O-CD 3.03Å; L328-S342 VanDerWaalsContact CD2-CB 3.44Å
329C94.4Very high91.1Very high15 Ų1579.7 Ų79.710%0.10143%0.433CS..  trans-94.1111169.1-137.40000108.4Y319 A331 C336 S341Y319-C329 HydrophobicContact CD1-CB 3.89Å; Y319-C329 HydrophobicContact CE1-CB 3.61Å; C329-A331 PolarHBondContact O-N 2.75Å; C329-C336 VanDerWaalsContact C-SG 3.54Å; C329-C336 WeakPolarHBondContact CA-SG 3.35Å; C329-C336 HydrophobicContact CB-CB 3.66Å; C329-C336 WeakPolarHBondContact CB-SG 3.27Å; C329-C336 WeakPolarHBondContact SG-CA 3.48Å; C329-C336 WeakPolarHBondContact SG-CB 3.01Å; C329-C336 CovalentContact SG-SG 2.02Å; C329-C336 PolarHBondContact SG-SG 3.43Å; C329-S341 PolarHBondContact N-O 3.39Å
330P92.5Very high91.1Very high41 Ų4178.4 Ų78.427%0.26643%0.428SS..  trans-65.7133.5-177.7-19.432.3000111.2V320 L328 S332 N333 C336V320-P330 HydrophobicContact CB-CG 4.48Å; V320-P330 HydrophobicContact CG2-CG 3.82Å; L328-P330 WeakPolarHBondContact O-CD 3.03Å; P330-S332 PolarHBondContact O-N 3.25Å; P330-S332 VanDerWaalsContact O-N 3.11Å; P330-N333 PolarHBondContact O-N 2.85Å; P330-C336 WeakPolarHBondContact O-CB 3.37Å
331A87.1Confident91Very high111 Ų11176.9 Ų76.992%0.91742%0.421SS*.THydrogen-bonded Turntrans-62-20.6177.800000113.4C329 N333C329-A331 PolarHBondContact O-N 2.75Å; A331-N333 VanDerWaalsContact C-N 3.32Å
332S89.6Confident91Very high111 Ų11174.5 Ų74.578%0.77641%0.411SS*.THydrogen-bonded Turntrans-73.6-19.9174.652.40000113.7P330P330-S332 PolarHBondContact O-N 3.25Å; P330-S332 VanDerWaalsContact O-N 3.11Å
333N91.1Very high91.2Very high41 Ų4171.3 Ų71.322%0.21939%0.391CS..  trans-87.8119-178.4-171.2-25.5000110P318 P330 A331 L335 C336P318-N333 WeakPolarHBondContact CB-ND2 3.25Å; P330-N333 PolarHBondContact O-N 2.85Å; A331-N333 VanDerWaalsContact C-N 3.32Å; N333-L335 PolarHBondContact O-N 2.99Å; N333-L335 WeakPolarHBondContact OD1-CB 3.34Å; N333-L335 PolarHBondContact OD1-N 2.69Å; N333-C336 HydrophobicContact CB-CB 4.44Å; N333-C336 VanDerWaalsContact O-CB 3.31Å; N333-C336 WeakPolarHBondContact O-CB 3.02Å; N333-C336 PolarHBondContact O-N 3.41Å
334P91Very high91.3Very high110 Ų11070.5 Ų70.571%0.71438%0.383SS*.G310 helixtrans-62.1-26.1-17924.8-34000113.4C336 R337P334-C336 PolarHBondContact O-N 3.09Å; P334-R337 PolarHBondContact O-N 3.35Å
335L92.3Very high91.7Very high105 Ų10565.5 Ų65.555%0.5536%0.356SS..G310 helixtrans-67.5-17.3175.7-61.7176.1000112.8P318 N333 Q339P318-L335 HydrophobicContact CB-CB 3.83Å; P318-L335 HydrophobicContact CB-CD1 4.3Å; P318-L335 HydrophobicContact CG-CB 3.99Å; N333-L335 PolarHBondContact O-N 2.99Å; N333-L335 WeakPolarHBondContact OD1-CB 3.34Å; N333-L335 PolarHBondContact OD1-N 2.69Å; L335-Q339 VanDerWaalsContact O-CG 3.26Å; L335-Q339 WeakPolarHBondContact O-CG 3.41Å
336C90.4Very high91.9Very high13 Ų1369.5 Ų69.59%0.08837%0.367CS..G310 helixtrans-84.6-8.4-180-72.80000114.5C329 P330 N333 P334 E338 Q339C329-C336 VanDerWaalsContact C-SG 3.54Å; C329-C336 WeakPolarHBondContact CA-SG 3.35Å; C329-C336 HydrophobicContact CB-CB 3.66Å; C329-C336 WeakPolarHBondContact CB-SG 3.27Å; C329-C336 WeakPolarHBondContact SG-CA 3.48Å; C329-C336 WeakPolarHBondContact SG-CB 3.01Å; C329-C336 CovalentContact SG-SG 2.02Å; C329-C336 PolarHBondContact SG-SG 3.43Å; P330-C336 WeakPolarHBondContact O-CB 3.37Å; N333-C336 HydrophobicContact CB-CB 4.44Å; N333-C336 VanDerWaalsContact O-CB 3.31Å; N333-C336 WeakPolarHBondContact O-CB 3.02Å; N333-C336 PolarHBondContact O-N 3.41Å; P334-C336 PolarHBondContact O-N 3.09Å; C336-E338 VanDerWaalsContact C-N 3.32Å; C336-E338 PolarHBondContact O-N 2.73Å; C336-Q339 PolarHBondContact O-N 3.11Å; C336-Q339 VanDerWaalsContact O-N 3.16Å
337R86.1Confident92Very high220 Ų22066.7 Ų66.783%0.8336%0.357SS*.THydrogen-bonded Turntrans-59.1-41.1-170.4-167.4179.4-140.3161.84.9113.7P334P334-R337 PolarHBondContact O-N 3.35Å
338E86.2Confident92Very high166 Ų16668.4 Ų68.478%0.77637%0.365SS*.THydrogen-bonded Turntrans-104.27.3-179.3-60.8-60.1144.800112.5C336C336-E338 VanDerWaalsContact C-N 3.32Å; C336-E338 PolarHBondContact O-N 2.73Å
339Q91.3Very high92Very high85 Ų8567.8 Ų67.840%0.39736%0.364SS..SBendtrans-99.3154.7-177.8-64.2-63.3-11.700111.2L335 C336 S341L335-Q339 VanDerWaalsContact O-CG 3.26Å; L335-Q339 WeakPolarHBondContact O-CG 3.41Å; C336-Q339 PolarHBondContact O-N 3.11Å; C336-Q339 VanDerWaalsContact O-N 3.16Å; Q339-S341 PolarHBondContact O-N 3.49Å
340P93.2Very high91.9Very high2 Ų267.4 Ų67.41%0.01336%0.361CS..  trans-52.7135.5168.8-24.730.7000111.2Y319 S342 V431Y319-P340 WeakPolarHBondContact CE1-O 3.45Å; Y319-P340 VanDerWaalsContact OH-CD 3.28Å; Y319-P340 WeakPolarHBondContact OH-CD 3.28Å; Y319-P340 PolarHBondContact OH-O 3.33Å; P340-S342 PolarHBondContact O-N 3.01Å; P340-V431 HydrophobicContact CB-CB 4.34Å; P340-V431 HydrophobicContact CB-CG2 3.76Å; P340-V431 HydrophobicContact CG-CB 4.46Å; P340-V431 HydrophobicContact CG-CG2 3.53Å
341S92.5Very high92Very high50 Ų5066.4 Ų66.435%0.3535%0.354SS..SBendtrans-62.6-29.2-179.163.60000112.9C329 Q339 S429 S430C329-S341 PolarHBondContact N-O 3.39Å; Q339-S341 PolarHBondContact O-N 3.49Å; S341-S429 WeakPolarHBondContact CB-O 3.41Å; S341-S429 PolarHBondContact N-O 2.9Å; S341-S429 PolarHBondContact OG-O 2.99Å; S341-S430 PolarHBondContact OG-OG 3.13Å
342S93.3Very high92.2Very high9 Ų961.4 Ų61.46%0.06331%0.312CS..EExtended strand (participates in β ladder)trans-147.7148.9177.168.60000112C327 L328 P340 S430 V431C327-S342 CarbonylContact O-C 3.56Å; C327-S342 VanDerWaalsContact O-CA 3.25Å; C327-S342 WeakPolarHBondContact O-CA 3.42Å; L328-S342 VanDerWaalsContact CD2-CB 3.44Å; P340-S342 PolarHBondContact O-N 3.01Å; S342-S430 WeakPolarHBondContact OG-CB 2.94Å; S342-S430 PolarHBondContact OG-OG 3.4Å; S342-V431 PolarHBondContact O-N 2.99Å
343I94.8Very high92.1Very high13 Ų1362.3 Ų62.37%0.06730%0.304CS..EExtended strand (participates in β ladder)trans-122.1124169.1-59.5177.2000107.7Y319 C327 V431 R433Y319-I343 HydrophobicContact CD1-CD1 4.24Å; Y319-I343 HydrophobicContact CD1-CG1 4.29Å; Y319-I343 HydrophobicContact CD2-CD1 4.04Å; Y319-I343 HydrophobicContact CE1-CD1 3.77Å; Y319-I343 HydrophobicContact CE1-CG1 3.72Å; Y319-I343 HydrophobicContact CE2-CD1 3.54Å; Y319-I343 HydrophobicContact CE2-CG1 4.41Å; Y319-I343 HydrophobicContact CG-CD1 4.36Å; C327-I343 HydrophobicContact CB-CB 4.25Å; C327-I343 PolarHBondContact N-O 3.38Å; C327-I343 PolarHBondContact O-N 2.91Å; I343-V431 CarbonylContact C-O 3.52Å; I343-V431 VanDerWaalsContact CA-O 3.26Å; I343-V431 WeakPolarHBondContact CA-O 3.38Å; I343-V431 HydrophobicContact CG1-CB 4.35Å; I343-R433 HydrophobicContact CG2-CB 4.12Å
344V94.2Very high92Very high42 Ų4265.5 Ų65.526%0.25531%0.313SS..EExtended strand (participates in β ladder)trans-109.7128.9173.51800000108.9N325 R326 V431 L432 R433N325-V344 CarbonylContact O-C 3.48Å; N325-V344 VanDerWaalsContact O-CA 3.27Å; N325-V344 WeakPolarHBondContact O-CA 3.32Å; R326-V344 HydrophobicContact CG-CG2 4.12Å; V344-V431 PolarHBondContact N-O 3.32Å; V344-L432 HydrophobicContact CB-CD1 4.26Å; V344-L432 HydrophobicContact CG1-CD1 4.21Å; V344-L432 CarbonylContact O-C 3.53Å; V344-L432 WeakPolarHBondContact O-CA 3.29Å; V344-R433 PolarHBondContact O-N 2.69Å
345H93.9Very high92Very high14 Ų1465 Ų657%0.06531%0.312CS..EExtended strand (participates in β ladder)trans-92.8132.3175.8-65.786.3000110.3N325 R433N325-H345 WeakPolarHBondContact CB-O 3.03Å; N325-H345 PolarHBondContact O-N 3.31Å; H345-R433 WeakPolarHBondContact CA-O 3.25Å
346R94.1Very high91.9Very high137 Ų13762.6 Ų62.652%0.51730%0.302SS..EExtended strand (participates in β ladder)trans-136.3149.1171.2-72.9-66.3-169.6172.40.7109.8L432 R433 L434 T435R346-L432 HydrophobicContact CB-CD1 3.88Å; R346-L432 HydrophobicContact CG-CD1 3.5Å; R346-R433 PolarHBondContact N-O 2.98Å; R346-L434 HydrophobicContact CB-CD1 3.84Å; R346-L434 WeakPolarHBondContact O-CA 3.25Å; R346-T435 PolarHBondContact O-N 3.11Å
347Y94.1Very high92.1Very high57 Ų5766.7 Ų66.722%0.22433%0.328CS..EExtended strand (participates in β ladder)trans-120.8142.5177-56.2-86.5000108.4V301 V310 R314 T435 F437V301-Y347 HydrophobicContact CG1-CD1 4.14Å; V301-Y347 HydrophobicContact CG1-CD2 4.33Å; V301-Y347 HydrophobicContact CG1-CG 3.77Å; V301-Y347 HydrophobicContact CG2-CD1 4.46Å; V301-Y347 HydrophobicContact CG2-CD2 3.85Å; V301-Y347 HydrophobicContact CG2-CE2 4.08Å; V301-Y347 HydrophobicContact CG2-CG 4.06Å; V310-Y347 HydrophobicContact CG1-CE1 3.98Å; V310-Y347 HydrophobicContact CG2-CE2 4.47Å; R314-Y347 PolarHBondContact NE-OH 2.98Å; Y347-T435 CarbonylContact C-O 3.58Å; Y347-T435 WeakPolarHBondContact CA-O 3.48Å; Y347-T435 HydrophobicContact CD1-CG2 4.07Å; Y347-T435 HydrophobicContact CE1-CG2 4.35Å; Y347-F437 AromaticContact CD1-CE2 3.88Å; Y347-F437 HydrophobicContact CD1-CE2 3.88Å; Y347-F437 HydrophobicContact CD1-CZ 4.3Å
348M94.4Very high92.5Very high39 Ų3956.7 Ų56.719%0.19229%0.292CS..EExtended strand (participates in β ladder)trans-150162.917167.9175.7-62.900110.2I350 V360 F361 L434 T435 V436 F437M348-I350 HydrophobicContact CE-CG2 3.81Å; M348-V360 HydrophobicContact CE-CG1 3.41Å; M348-V360 VanDerWaalsContact CE-CG1 3.41Å; M348-V360 WeakPolarHBondContact CE-O 3.5Å; M348-V360 HydrophobicContact SD-CG1 3.79Å; M348-F361 HydrophobicContact SD-CB 4Å; M348-F361 HydrophobicContact SD-CD2 3.89Å; M348-F361 HydrophobicContact SD-CG 4.31Å; M348-L434 HydrophobicContact CG-CD1 3.94Å; M348-L434 HydrophobicContact CG-CG 4.39Å; M348-L434 HydrophobicContact SD-CD1 4Å; M348-L434 HydrophobicContact SD-CD2 3.84Å; M348-L434 HydrophobicContact SD-CG 4.25Å; M348-T435 PolarHBondContact N-O 2.75Å; M348-V436 HydrophobicContact CG-CB 4.25Å; M348-V436 HydrophobicContact CG-CG1 4.14Å; M348-V436 HydrophobicContact CG-CG2 3.84Å; M348-V436 WeakPolarHBondContact O-CA 3.01Å; M348-V436 HydrophobicContact SD-CG2 4.04Å; M348-F437 PolarHBondContact O-N 2.96Å
349T94.5Very high93Very high43 Ų4352.4 Ų52.426%0.26428%0.275SS..EExtended strand (participates in β ladder)trans-119.7145.4176.5-174.50000110H304 F437H304-T349 WeakPolarHBondContact CB-OG1 3.46Å; H304-T349 VanDerWaalsContact CD2-CG2 3.5Å; H304-T349 WeakPolarHBondContact CD2-CG2 3.29Å; H304-T349 PolarHBondContact CD2-OG1 3.08Å; H304-T349 PolarHBondContact N-OG1 3.08Å; H304-T349 VanDerWaalsContact N-OG1 3.11Å; T349-F437 CarbonylContact C-O 3.59Å; T349-F437 VanDerWaalsContact CA-O 3.28Å; T349-F437 WeakPolarHBondContact CA-O 3.01Å
350I94.3Very high93.1Very high7 Ų749.5 Ų49.54%0.03626%0.263CS..EExtended strand (participates in β ladder)trans-134.2152.2168.862.6177.6000109.4M348 V360 V405 V436 F437 V438 G439M348-I350 HydrophobicContact CE-CG2 3.81Å; I350-V360 HydrophobicContact CG2-CG1 4.06Å; I350-V405 HydrophobicContact CD1-CG2 3.84Å; I350-V436 HydrophobicContact CD1-CG1 3.79Å; I350-V436 HydrophobicContact CG1-CG1 3.79Å; I350-V436 HydrophobicContact CG2-CG1 4.23Å; I350-F437 PolarHBondContact N-O 3.22Å; I350-V438 HydrophobicContact CD1-CG2 4Å; I350-V438 HydrophobicContact CG1-CB 4.36Å; I350-V438 HydrophobicContact CG1-CG1 4.34Å; I350-V438 HydrophobicContact CG1-CG2 3.88Å; I350-V438 CarbonylContact O-C 3.58Å; I350-V438 WeakPolarHBondContact O-CA 3.33Å; I350-G439 PolarHBondContact O-N 3.01Å
351T93.3Very high93.2Very high20 Ų2052 Ų5212%0.12327%0.274CS..  trans-81.2157.1175.853.60000111.8T442T351-T442 WeakPolarHBondContact CB-O 3.49Å; T351-T442 PolarHBondContact OG1-O 3.3Å
352S92.6Very high93.3Very high5 Ų554.4 Ų54.44%0.03528%0.279CS..THydrogen-bonded Turntrans-64153.7174.3-159.90000111.2R354 T406 G407 G439 Y441 T442S352-R354 PolarHBondContact O-N 3.22Å; S352-T406 WeakPolarHBondContact OG-CA 3.41Å; S352-G407 PolarHBondContact OG-N 3.42Å; S352-G439 WeakPolarHBondContact CB-O 3.37Å; S352-Y441 WeakPolarHBondContact CB-O 3.45Å; S352-Y441 PolarHBondContact N-O 3.43Å; S352-T442 WeakPolarHBondContact O-CG2 3.22Å
353E87.6Confident93.3Very high131 Ų13154.8 Ų54.861%0.61228%0.281SS*.THydrogen-bonded Turntrans54.128.2170.7-48.8-167.2147.700115.3V405 T442E353-V405 PolarHBondContact N-O 2.97Å; E353-T442 HydrophobicContact CB-CG2 3.98Å; E353-T442 HydrophobicContact CG-CG2 4.3Å
354R87.8Confident93.1Very high107 Ų10760.5 Ų60.540%0.40431%0.307SS..  trans-56.6142.3174.8-164.7176.6-177.2109.3-6.1110.5S352 A358 L401S352-R354 PolarHBondContact O-N 3.22Å; R354-A358 HydrophobicContact CG-CB 4.36Å; R354-L401 HydrophobicContact CB-CD2 4.4Å
355S91.1Very high92.7Very high100 Ų10058.9 Ų58.970%0.69930%0.298SS*.  trans-58.6139.8174.153.70000111A358S355-A358 WeakPolarHBondContact O-CB 3.47Å
356V91.4Very high91.8Very high55 Ų5564.6 Ų64.633%0.33333%0.334SS..SBendtrans-123.3148.2-179.6-65.70000111.9L401 P404V356-L401 HydrophobicContact CG1-CB 4.36Å; V356-L401 HydrophobicContact CG1-CD2 3.75Å; V356-L401 HydrophobicContact CG1-CG 3.84Å; V356-P404 HydrophobicContact CG1-CG 4.47Å; V356-P404 HydrophobicContact CG2-CG 3.94Å
357P94Very high90.7Very high98 Ų9860.8 Ų60.864%0.63633%0.328SS*.SBendcis-73139-1.630.2-34.1000112.6V400 L401P357-V400 HydrophobicContact CB-CG1 3.91Å; P357-L401 VanDerWaalsContact CA-O 3.3Å; P357-L401 WeakPolarHBondContact CA-O 3.27Å
358A94.8Very high89.6Confident10 Ų1063 Ų638%0.08335%0.348CS..EExtended strand (participates in β ladder)trans-123.4133.217900000112R354 S355 V360 V400 L401R354-A358 HydrophobicContact CG-CB 4.36Å; S355-A358 WeakPolarHBondContact O-CB 3.47Å; A358-V360 PolarHBondContact O-N 3.23Å; A358-V400 CarbonylContact O-C 3.6Å; A358-V400 WeakPolarHBondContact O-CA 3.42Å; A358-V400 WeakPolarHBondContact O-CG1 3.38Å; A358-L401 HydrophobicContact CB-CB 4.35Å; A358-L401 PolarHBondContact N-O 3.23Å; A358-L401 PolarHBondContact O-N 2.86Å
359D95.2Very high88.5Confident77 Ų7767 Ų6741%0.41236%0.361SS..EExtended strand (participates in β ladder)trans-71.4121169.9-70.6-20.5000109.1R390 M398 V400D359-R390 IonicContact OD1-CZ 3.72Å; D359-R390 IonicContact OD1-NH2 2.81Å; D359-R390 PolarHBondContact OD1-NH2 2.87Å; D359-R390 IonicContact OD2-NH2 2.77Å; D359-R390 PolarHBondContact OD2-NH2 2.04Å; D359-M398 HydrophobicContact CB-CE 4.15Å; D359-M398 HydrophobicContact CB-CG 3.81Å; D359-M398 HydrophobicContact CB-SD 3.83Å; D359-M398 WeakPolarHBondContact OD1-CG 3.46Å; D359-V400 WeakPolarHBondContact OD1-CG2 3.35Å
360V94.2Very high87.4Confident24 Ų2470.7 Ų70.715%0.14539%0.386CS..EExtended strand (participates in β ladder)trans-106.4-49.8-172.2177.90000111.1M348 I350 A358 F387 L399 L401M348-V360 HydrophobicContact CE-CG1 3.41Å; M348-V360 VanDerWaalsContact CE-CG1 3.41Å; M348-V360 WeakPolarHBondContact CE-O 3.5Å; M348-V360 HydrophobicContact SD-CG1 3.79Å; I350-V360 HydrophobicContact CG2-CG1 4.06Å; A358-V360 PolarHBondContact O-N 3.23Å; V360-F387 HydrophobicContact CG2-CE1 4.46Å; V360-L399 HydrophobicContact CG1-CD2 4.49Å; V360-L399 PolarHBondContact N-O 3.43Å; V360-L401 HydrophobicContact CG2-CB 3.66Å
361F95.4Very high86.5Confident54 Ų5473 Ų7324%0.23741%0.411CS..EExtended strand (participates in β ladder)trans-150.1126.6-172.5-171.6-89.6000111.5M348 I363 M398 L399 L432 L434M348-F361 HydrophobicContact SD-CB 4Å; M348-F361 HydrophobicContact SD-CD2 3.89Å; M348-F361 HydrophobicContact SD-CG 4.31Å; F361-I363 HydrophobicContact CD1-CG1 4.08Å; F361-I363 HydrophobicContact CE1-CG1 4.34Å; F361-M398 VanDerWaalsContact C-SD 3.53Å; F361-L399 HydrophobicContact CB-CB 4.13Å; F361-L399 HydrophobicContact CB-CD2 4.29Å; F361-L399 PolarHBondContact N-O 3.38Å; F361-L399 WeakPolarHBondContact O-CB 3.07Å; F361-L399 PolarHBondContact O-N 3.33Å; F361-L432 HydrophobicContact CD1-CD2 4.22Å; F361-L432 HydrophobicContact CE1-CD2 3.42Å; F361-L432 VanDerWaalsContact CE1-CD2 3.42Å; F361-L432 HydrophobicContact CZ-CD2 3.99Å; F361-L434 HydrophobicContact CB-CD2 4.04Å; F361-L434 HydrophobicContact CD1-CD2 4.28Å; F361-L434 HydrophobicContact CD2-CD1 4.22Å; F361-L434 HydrophobicContact CD2-CD2 4.37Å; F361-L434 HydrophobicContact CE2-CD1 4.26Å; F361-L434 HydrophobicContact CG-CD2 3.97Å
362Q94.9Very high85.9Confident100 Ų10072.4 Ų72.447%0.46741%0.409SS..EExtended strand (participates in β ladder)trans-90.8123.7175.9-172.1174.5-15.900110.7M398Q362-M398 HydrophobicContact CB-CE 3.89Å; Q362-M398 HydrophobicContact CB-SD 4.01Å; Q362-M398 HydrophobicContact CG-CE 4.22Å
363I92.9Very high85.5Confident17 Ų1777.4 Ų77.49%0.08743%0.428CS..EExtended strand (participates in β ladder)trans-94.1133.6173.8-45.7169.6000107.9F361 F376 I389 S396 A397 L415F361-I363 HydrophobicContact CD1-CG1 4.08Å; F361-I363 HydrophobicContact CE1-CG1 4.34Å; I363-F376 HydrophobicContact CB-CD1 4.34Å; I363-F376 HydrophobicContact CB-CE1 4.4Å; I363-F376 HydrophobicContact CG2-CD1 3.9Å; I363-F376 HydrophobicContact CG2-CE1 3.81Å; I363-I389 HydrophobicContact CD1-CD1 3.88Å; I363-S396 CarbonylContact O-C 3.57Å; I363-S396 WeakPolarHBondContact O-CA 3.48Å; I363-S396 VanDerWaalsContact O-CB 3.32Å; I363-S396 WeakPolarHBondContact O-CB 3.47Å; I363-A397 PolarHBondContact N-O 3.07Å; I363-A397 PolarHBondContact O-N 3.4Å; I363-L415 HydrophobicContact CD1-CB 4.05Å; I363-L415 HydrophobicContact CD1-CD1 3.86Å; I363-L415 HydrophobicContact CD1-CG 4.46Å; I363-L415 HydrophobicContact CG1-CD1 4.28Å
364Q90.4Very high85.6Confident134 Ų13471.3 Ų71.363%0.62640%0.4SS*.EExtended strand (participates in β ladder)trans-135.9133.5177.2-172.1169.5-4.300111.1V395Q364-V395 CarbonylContact C-O 3.11Å; Q364-V395 WeakPolarHBondContact CA-O 3.06Å
365A86Confident85.8Confident7 Ų767.2 Ų67.26%0.05839%0.389CS..  trans-69.2129173.400000109.9S367 V395 M417A365-S367 VanDerWaalsContact C-N 3.32Å; A365-V395 HydrophobicContact CB-CB 4.37Å; A365-V395 PolarHBondContact N-O 3.47Å; A365-M417 HydrophobicContact CB-CE 4.48Å; A365-M417 HydrophobicContact CB-SD 3.59Å; A365-M417 VanDerWaalsContact CB-SD 3.59Å
366T74.9Confident86Confident134 Ų13463.3 Ų63.382%0.82236%0.359SS*.SBendtrans-79-17178.453.40000113.3
367S71.1Confident86.1Confident57 Ų5765.2 Ų65.240%0.39936%0.364SS..  trans-134121.8-171.5-52.40000109.2A365A365-S367 VanDerWaalsContact C-N 3.32Å
368V70.2Confident86.2Confident104 Ų10462.4 Ų62.463%0.6334%0.343SS*.  trans-112.1107.6-179.9-172.60000107.8V395V368-V395 HydrophobicContact CG1-CG1 4.17Å; V368-V395 HydrophobicContact CG2-CG1 3.7Å
369Y71.9Confident86.3Confident123 Ų12367.1 Ų67.148%0.48236%0.359SS..  trans-93.3136.2174.5-59.8-80.4000109.6G371 A372Y369-G371 PolarHBondContact O-N 2.75Å; Y369-A372 WeakPolarHBondContact O-CB 3.42Å; Y369-A372 PolarHBondContact O-N 3.09Å
370P72.4Confident86.3Confident120 Ų12065.6 Ų65.678%0.77936%0.357SS*.THydrogen-bonded Turntrans-55.4124.8172.3-23.733.3000110.8A372P370-A372 VanDerWaalsContact C-N 3.28Å; P370-A372 PolarHBondContact O-N 3.13Å
371G75.2Confident86.3Confident55 Ų5566.3 Ų66.357%0.56737%0.369SS*.THydrogen-bonded Turntrans781.8-178.700000115.7Y369Y369-G371 PolarHBondContact O-N 2.75Å
372A79.8Confident86.3Confident9 Ų965.5 Ų65.57%0.07437%0.368CS..EExtended strand (participates in β ladder)trans-85.6141.1170.800000111.6Y369 P370 N394 T419 M420 N421Y369-A372 WeakPolarHBondContact O-CB 3.42Å; Y369-A372 PolarHBondContact O-N 3.09Å; P370-A372 VanDerWaalsContact C-N 3.28Å; P370-A372 PolarHBondContact O-N 3.13Å; A372-N394 PolarHBondContact O-ND2 2.9Å; A372-T419 HydrophobicContact CB-CG2 4.03Å; A372-M420 CarbonylContact C-O 3.58Å; A372-M420 VanDerWaalsContact CA-O 3.27Å; A372-M420 WeakPolarHBondContact CA-O 3.08Å; A372-N421 HydrophobicContact CB-CB 4.25Å
373Y85.4Confident86.2Confident109 Ų10966.3 Ų66.343%0.42738%0.384SS..EExtended strand (participates in β ladder)trans-113.3142.4170.6118.9-92.7000110.5A375 N394 M420Y373-A375 HydrophobicContact CE2-CB 3.8Å; Y373-A375 WeakPolarHBondContact OH-CB 3.02Å; Y373-N394 WeakPolarHBondContact CA-OD1 3.47Å; Y373-N394 WeakPolarHBondContact CB-OD1 3.03Å; Y373-M420 HydrophobicContact CD1-CB 3.81Å; Y373-M420 HydrophobicContact CE1-CB 3.91Å; Y373-M420 HydrophobicContact CE1-CG 4.15Å; Y373-M420 HydrophobicContact CE1-SD 3.75Å; Y373-M420 PolarHBondContact N-O 2.74Å; Y373-M420 PolarHBondContact O-N 3.5Å
374N89.5Confident86.2Confident4 Ų470.8 Ų70.82%0.02141%0.405CS..EExtended strand (participates in β ladder)trans-109.5127.5176.1-56.8-58.5000110.4F376 Q391 N394 M417 V418 T419N374-F376 HydrophobicContact CB-CE2 3.84Å; N374-F376 HydrophobicContact CB-CZ 3.93Å; N374-Q391 PolarHBondContact O-NE2 3.41Å; N374-N394 WeakPolarHBondContact CB-O 3.3Å; N374-N394 PolarHBondContact N-OD1 2.82Å; N374-N394 PolarHBondContact ND2-O 3.1Å; N374-M417 HydrophobicContact CB-CG 4.2Å; N374-M417 HydrophobicContact CB-SD 4.42Å; N374-V418 WeakPolarHBondContact CA-O 3.4Å; N374-T419 WeakPolarHBondContact OD1-CB 3.48Å; N374-T419 WeakPolarHBondContact OD1-CG2 3.18Å; N374-T419 PolarHBondContact OD1-OG1 2.87Å
375A91Very high86.3Confident21 Ų2165.9 Ų65.917%0.17439%0.39CS..EExtended strand (participates in β ladder)trans-102.1136.6168.900000109.3Y373 M417 V418Y373-A375 HydrophobicContact CE2-CB 3.8Å; Y373-A375 WeakPolarHBondContact OH-CB 3.02Å; A375-M417 CarbonylContact O-C 3.51Å; A375-M417 WeakPolarHBondContact O-CA 3.35Å; A375-V418 HydrophobicContact CB-CB 4.36Å; A375-V418 PolarHBondContact N-O 2.89Å; A375-V418 PolarHBondContact O-N 3.37Å
376F94.5Very high86.7Confident17 Ų1766.2 Ų66.28%0.07539%0.391CS..EExtended strand (participates in β ladder)trans-117.2129.8178.4-59.9-88.8000109.6I363 N374 I389 A397 E416 M417I363-F376 HydrophobicContact CB-CD1 4.34Å; I363-F376 HydrophobicContact CB-CE1 4.4Å; I363-F376 HydrophobicContact CG2-CD1 3.9Å; I363-F376 HydrophobicContact CG2-CE1 3.81Å; N374-F376 HydrophobicContact CB-CE2 3.84Å; N374-F376 HydrophobicContact CB-CZ 3.93Å; F376-I389 HydrophobicContact CB-CD1 4.33Å; F376-I389 HydrophobicContact CB-CG2 3.94Å; F376-A397 HydrophobicContact CB-CB 3.7Å; F376-A397 HydrophobicContact CD1-CB 4.16Å; F376-A397 HydrophobicContact CD2-CB 3.64Å; F376-A397 HydrophobicContact CE2-CB 4.28Å; F376-A397 HydrophobicContact CG-CB 3.57Å; F376-E416 WeakPolarHBondContact CA-O 3.25Å; F376-M417 HydrophobicContact CD1-CB 4.07Å; F376-M417 HydrophobicContact CD1-CG 3.98Å; F376-M417 HydrophobicContact CE1-CB 4.03Å; F376-M417 HydrophobicContact CE1-CG 3.58Å; F376-M417 HydrophobicContact CE1-SD 3.74Å; F376-M417 HydrophobicContact CZ-CG 4.12Å; F376-M417 HydrophobicContact CZ-SD 4.09Å
377Q94.9Very high87.7Confident95 Ų9560 Ų6044%0.44435%0.353SS..EExtended strand (participates in β ladder)trans-145.6158.2179.566.1-177.810.800112.2E416Q377-E416 HydrophobicContact CG-CB 4.02Å; Q377-E416 PolarHBondContact N-O 2.99Å; Q377-E416 PolarHBondContact NE2-OE2 2.86Å; Q377-E416 PolarHBondContact O-N 3.15Å
378I96.7Very high88.9Confident39 Ų3961.6 Ų61.620%0.235%0.351CS..EExtended strand (participates in β ladder)trans-90108.5170.4-51177.8000107.2A380 N382 F387 I389 L399 L415I378-A380 WeakPolarHBondContact CG2-O 3.22Å; I378-N382 HydrophobicContact CD1-CB 4.34Å; I378-N382 HydrophobicContact CG2-CB 3.7Å; I378-F387 HydrophobicContact CD1-CB 4Å; I378-I389 HydrophobicContact CD1-CG1 4.2Å; I378-I389 HydrophobicContact CG1-CD1 3.82Å; I378-I389 HydrophobicContact CG1-CG1 3.71Å; I378-L399 HydrophobicContact CD1-CD1 3.94Å; I378-L399 HydrophobicContact CG1-CD1 4.45Å; I378-L415 HydrophobicContact CB-CD2 4.48Å; I378-L415 HydrophobicContact CG1-CD2 3.96Å; I378-L415 HydrophobicContact CG2-CD2 4.27Å
379R95.4Very high90.2Very high109 Ų10958.4 Ų58.441%0.41133%0.33SS..EExtended strand (participates in β ladder)trans-77.8-39.7-177.9-174-177.7-174.8-143.45.8112D414 E416R379-D414 HydrophobicContact CB-CB 4.24Å; R379-D414 WeakPolarHBondContact CB-O 3.27Å; R379-D414 PolarHBondContact N-O 2.97Å; R379-E416 HydrophobicContact CB-CB 4Å
380A96Very high91.3Very high46 Ų4658 Ų5838%0.3833%0.327SS..EExtended strand (participates in β ladder)trans-153.5167.6179.700000111.9I378 D414I378-A380 WeakPolarHBondContact CG2-O 3.22Å; A380-D414 HydrophobicContact CB-CB 4.08Å; A380-D414 PolarHBondContact N-O 2.97Å; A380-D414 PolarHBondContact O-N 3.11Å
381G94.5Very high92.3Very high38 Ų3856.8 Ų56.839%0.39231%0.311SS..SBendtrans92.4-3.4173.100000116.3V412 L413G381-V412 WeakPolarHBondContact CA-O 3.19Å; G381-L413 VanDerWaalsContact C-CD2 3.47Å; G381-L413 VanDerWaalsContact O-CD2 3.25Å; G381-L413 WeakPolarHBondContact O-CD2 3.18Å
382N94.9Very high93.2Very high38 Ų3858.2 Ų58.220%0.20331%0.305CS..  trans-119.846.7-174.9-173.742.4000113I378 Q384 G385 D386 F387 L413I378-N382 HydrophobicContact CD1-CB 4.34Å; I378-N382 HydrophobicContact CG2-CB 3.7Å; N382-Q384 VanDerWaalsContact C-N 3.26Å; N382-Q384 PolarHBondContact O-N 3.14Å; N382-G385 PolarHBondContact O-N 3.32Å; N382-D386 PolarHBondContact OD1-N 2.84Å; N382-D386 VanDerWaalsContact OD1-N 3.09Å; N382-F387 PolarHBondContact ND2-O 2.92Å; N382-F387 PolarHBondContact OD1-N 2.94Å; N382-L413 HydrophobicContact CB-CD2 4.13Å
383S92.4Very high93.6Very high116 Ų11661.4 Ų61.481%0.81132%0.321SS*.THydrogen-bonded Turntrans-65.5-26.7-176.554.40000114.1
384Q92.1Very high93.7Very high111 Ų11159.5 Ų59.552%0.51932%0.318SS..THydrogen-bonded Turntrans-87-10.1179.4-61.1-60.6-36.900113.3N382 D386 R403N382-Q384 VanDerWaalsContact C-N 3.26Å; N382-Q384 PolarHBondContact O-N 3.14Å; Q384-D386 VanDerWaalsContact C-N 3.3Å; Q384-R403 PolarHBondContact O-NH1 2.81Å
385G92.9Very high93.7Very high32 Ų3261 Ų6133%0.3333%0.327SS..  trans68.927.9-175.200000113.6N382 F387N382-G385 PolarHBondContact O-N 3.32Å; G385-F387 PolarHBondContact O-N 3.42Å
386D94.6Very high93.8Very high14 Ų1460.2 Ų60.28%0.07532%0.32CS..  trans-68.5-24.1178.5-63.8-25.6000111.3N382 Q384 A402 V405 Y411N382-D386 PolarHBondContact OD1-N 2.84Å; N382-D386 VanDerWaalsContact OD1-N 3.09Å; Q384-D386 VanDerWaalsContact C-N 3.3Å; D386-A402 PolarHBondContact O-N 2.85Å; D386-V405 HydrophobicContact CB-CG1 4.3Å; D386-Y411 HydrophobicContact CB-CE1 4.38Å; D386-Y411 VanDerWaalsContact OD2-CE1 3.26Å; D386-Y411 WeakPolarHBondContact OD2-CE1 3.43Å; D386-Y411 PolarHBondContact OD2-OH 2.87Å
387F96.5Very high93.8Very high3 Ų359.4 Ų59.41%0.01332%0.317CS..EExtended strand (participates in β ladder)trans-122.2156.2179.4-57.7-89.5000112.1V360 I378 N382 G385 L399 V400 L401 Y411 L413V360-F387 HydrophobicContact CG2-CE1 4.46Å; I378-F387 HydrophobicContact CD1-CB 4Å; N382-F387 PolarHBondContact ND2-O 2.92Å; N382-F387 PolarHBondContact OD1-N 2.94Å; G385-F387 PolarHBondContact O-N 3.42Å; F387-L399 HydrophobicContact CB-CD1 3.89Å; F387-L399 HydrophobicContact CD1-CD1 4.33Å; F387-L399 HydrophobicContact CD1-CD2 4.11Å; F387-L399 HydrophobicContact CD1-CG 4.08Å; F387-L399 HydrophobicContact CG-CD1 4.41Å; F387-V400 CarbonylContact C-O 3.59Å; F387-V400 VanDerWaalsContact CA-O 3.3Å; F387-V400 WeakPolarHBondContact CA-O 3.46Å; F387-L401 HydrophobicContact CD1-CD1 3.97Å; F387-L401 HydrophobicContact CE1-CD1 3.5Å; F387-L401 HydrophobicContact CE2-CD1 4.43Å; F387-L401 HydrophobicContact CZ-CD1 3.76Å; F387-Y411 AromaticContact CE2-CD1 3.73Å; F387-Y411 HydrophobicContact CE2-CD1 3.73Å; F387-Y411 HydrophobicContact CE2-CD2 4.18Å; F387-Y411 AromaticContact CE2-CE1 3.94Å; F387-Y411 HydrophobicContact CE2-CE1 3.94Å; F387-Y411 HydrophobicContact CE2-CE2 4.4Å; F387-Y411 AromaticContact CE2-CG 3.84Å; F387-Y411 HydrophobicContact CE2-CG 3.84Å; F387-Y411 HydrophobicContact CZ-CD2 4.36Å; F387-Y411 HydrophobicContact CZ-CG 4.35Å; F387-L413 HydrophobicContact CD1-CD1 4.27Å; F387-L413 HydrophobicContact CD2-CD1 3.91Å; F387-L413 HydrophobicContact CD2-CD2 4.23Å; F387-L413 HydrophobicContact CE1-CD1 4.47Å; F387-L413 HydrophobicContact CE2-CD1 4.16Å; F387-L413 HydrophobicContact CG-CD1 3.98Å; F387-L413 HydrophobicContact CZ-CD1 4.42Å
388Y97Very high93.9Very high91 Ų9155.9 Ų55.936%0.35730%0.301SS..EExtended strand (participates in β ladder)trans-145161164.368.8-80.6000110.4R390 V400 A402Y388-R390 HydrophobicContact CE2-CB 4.17Å; Y388-V400 HydrophobicContact CD1-CB 4.04Å; Y388-V400 HydrophobicContact CD1-CG1 4.42Å; Y388-V400 HydrophobicContact CD2-CB 4.45Å; Y388-V400 HydrophobicContact CE1-CB 3.59Å; Y388-V400 HydrophobicContact CE1-CG1 3.55Å; Y388-V400 HydrophobicContact CE2-CB 4.03Å; Y388-V400 HydrophobicContact CE2-CG1 4.44Å; Y388-V400 HydrophobicContact CE2-CG2 4.18Å; Y388-V400 HydrophobicContact CG-CB 4.46Å; Y388-V400 PolarHBondContact N-O 2.03Å; Y388-V400 PolarHBondContact O-N 2.74Å; Y388-V400 WeakPolarHBondContact OH-CG1 3.02Å; Y388-A402 HydrophobicContact CD1-CB 3.64Å; Y388-A402 HydrophobicContact CE1-CB 3.9Å
389I96.8Very high93.9Very high36 Ų3654 Ų5419%0.18529%0.291CS..EExtended strand (participates in β ladder)trans-99128.7174.8-73.7-174000109.7I363 F376 I378 A397 M398 L399 L415I363-I389 HydrophobicContact CD1-CD1 3.88Å; F376-I389 HydrophobicContact CB-CD1 4.33Å; F376-I389 HydrophobicContact CB-CG2 3.94Å; I378-I389 HydrophobicContact CD1-CG1 4.2Å; I378-I389 HydrophobicContact CG1-CD1 3.82Å; I378-I389 HydrophobicContact CG1-CG1 3.71Å; I389-A397 HydrophobicContact CG2-CB 3.78Å; I389-M398 WeakPolarHBondContact CA-O 3.38Å; I389-L399 HydrophobicContact CG1-CD1 4.21Å; I389-L415 HydrophobicContact CD1-CD2 4.35Å
390R95.9Very high94Very high116 Ų11648.9 Ų48.944%0.43827%0.272SS..EExtended strand (participates in β ladder)trans-107.9111.7170.5-179170.161.7170.62.5108.8D359 Y388 I392 A397 M398 V400D359-R390 IonicContact OD1-CZ 3.72Å; D359-R390 IonicContact OD1-NH2 2.81Å; D359-R390 PolarHBondContact OD1-NH2 2.87Å; D359-R390 IonicContact OD2-NH2 2.77Å; D359-R390 PolarHBondContact OD2-NH2 2.04Å; Y388-R390 HydrophobicContact CE2-CB 4.17Å; R390-I392 PolarHBondContact O-N 3.16Å; R390-A397 WeakPolarHBondContact O-CA 3.35Å; R390-M398 PolarHBondContact N-O 2.95Å; R390-M398 PolarHBondContact O-N 2.88Å; R390-V400 HydrophobicContact CB-CG2 3.92Å
391Q92.7Very high94Very high94 Ų9446.7 Ų46.744%0.43925%0.254SS..EExtended strand (participates in β ladder)trans-70.3128.3177.4-171.9145.66.500110.3N374 N393N374-Q391 PolarHBondContact O-NE2 3.41Å; Q391-N393 WeakPolarHBondContact CG-O 3.41Å; Q391-N393 PolarHBondContact NE2-O 2.97Å; Q391-N393 VanDerWaalsContact NE2-O 3.07Å
392I93.6Very high94Very high85 Ų8546.8 Ų46.844%0.43625%0.25SS..  trans-93.7-52.5179.2-62.7167.9000109R390 S396 M398R390-I392 PolarHBondContact O-N 3.16Å; I392-S396 PolarHBondContact N-O 2.04Å; I392-S396 VanDerWaalsContact N-O 3.07Å; I392-M398 HydrophobicContact CD1-CB 4.06Å; I392-M398 HydrophobicContact CD1-CE 4.28Å; I392-M398 HydrophobicContact CG1-CB 4.44Å
393N89.3Confident93.9Very high75 Ų7551.5 Ų51.540%0.40127%0.265SS..SBendtrans-152.1-168.3177.962.640.6000110.3Q391 V395 S396Q391-N393 WeakPolarHBondContact CG-O 3.41Å; Q391-N393 PolarHBondContact NE2-O 2.97Å; Q391-N393 VanDerWaalsContact NE2-O 3.07Å; N393-V395 PolarHBondContact O-N 2.96Å; N393-V395 WeakPolarHBondContact OD1-CA 3.35Å; N393-V395 WeakPolarHBondContact OD1-CG2 3.11Å; N393-V395 PolarHBondContact OD1-N 3.49Å; N393-S396 PolarHBondContact N-O 3.31Å; N393-S396 VanDerWaalsContact N-O 3.12Å; N393-S396 PolarHBondContact ND2-OG 2.94Å; N393-S396 VanDerWaalsContact O-O 3.13Å; N393-S396 PolarHBondContact OD1-N 2.84Å; N393-S396 PolarHBondContact OD1-OG 3.16Å; N393-S396 VanDerWaalsContact OD1-OG 3.12Å
394N86.6Confident93.9Very high70 Ų7050 Ų5037%0.37425%0.253SS..SBendtrans-73.2-7-177.8-166.333.6000114.2A372 Y373 N374A372-N394 PolarHBondContact O-ND2 2.9Å; Y373-N394 WeakPolarHBondContact CA-OD1 3.47Å; Y373-N394 WeakPolarHBondContact CB-OD1 3.03Å; N374-N394 WeakPolarHBondContact CB-O 3.3Å; N374-N394 PolarHBondContact N-OD1 2.82Å; N374-N394 PolarHBondContact ND2-O 3.1Å
395V89.1Confident93.9Very high35 Ų3544.8 Ų44.821%0.21223%0.229CC..SBendtrans-125.3-8.3-178-61.70000112.9Q364 A365 V368 N393Q364-V395 CarbonylContact C-O 3.11Å; Q364-V395 WeakPolarHBondContact CA-O 3.06Å; A365-V395 HydrophobicContact CB-CB 4.37Å; A365-V395 PolarHBondContact N-O 3.47Å; V368-V395 HydrophobicContact CG1-CG1 4.17Å; V368-V395 HydrophobicContact CG2-CG1 3.7Å; N393-V395 PolarHBondContact O-N 2.96Å; N393-V395 WeakPolarHBondContact OD1-CA 3.35Å; N393-V395 WeakPolarHBondContact OD1-CG2 3.11Å; N393-V395 PolarHBondContact OD1-N 3.49Å
396S93Very high93.8Very high4 Ų447.7 Ų47.73%0.02824%0.24CC..EExtended strand (participates in β ladder)trans-143.7151.3179.167.90000114.2I363 I392 N393I363-S396 CarbonylContact O-C 3.57Å; I363-S396 WeakPolarHBondContact O-CA 3.48Å; I363-S396 VanDerWaalsContact O-CB 3.32Å; I363-S396 WeakPolarHBondContact O-CB 3.47Å; I392-S396 PolarHBondContact N-O 2.04Å; I392-S396 VanDerWaalsContact N-O 3.07Å; N393-S396 PolarHBondContact N-O 3.31Å; N393-S396 VanDerWaalsContact N-O 3.12Å; N393-S396 PolarHBondContact ND2-OG 2.94Å; N393-S396 VanDerWaalsContact O-O 3.13Å; N393-S396 PolarHBondContact OD1-N 2.84Å; N393-S396 PolarHBondContact OD1-OG 3.16Å; N393-S396 VanDerWaalsContact OD1-OG 3.12Å
397A95.5Very high93.6Very high0 Ų047.7 Ų47.70%024%0.243CC..EExtended strand (participates in β ladder)trans-143157.1174.300000110.2I363 F376 I389 R390I363-A397 PolarHBondContact N-O 3.07Å; I363-A397 PolarHBondContact O-N 3.4Å; F376-A397 HydrophobicContact CB-CB 3.7Å; F376-A397 HydrophobicContact CD1-CB 4.16Å; F376-A397 HydrophobicContact CD2-CB 3.64Å; F376-A397 HydrophobicContact CE2-CB 4.28Å; F376-A397 HydrophobicContact CG-CB 3.57Å; I389-A397 HydrophobicContact CG2-CB 3.78Å; R390-A397 WeakPolarHBondContact O-CA 3.35Å
398M96.7Very high93.4Very high22 Ų2253 Ų5311%0.10828%0.278CS..EExtended strand (participates in β ladder)trans-110.2128.9177.5-169.362.574.500109.9D359 F361 Q362 I389 R390 I392 V400D359-M398 HydrophobicContact CB-CE 4.15Å; D359-M398 HydrophobicContact CB-CG 3.81Å; D359-M398 HydrophobicContact CB-SD 3.83Å; D359-M398 WeakPolarHBondContact OD1-CG 3.46Å; F361-M398 VanDerWaalsContact C-SD 3.53Å; Q362-M398 HydrophobicContact CB-CE 3.89Å; Q362-M398 HydrophobicContact CB-SD 4.01Å; Q362-M398 HydrophobicContact CG-CE 4.22Å; I389-M398 WeakPolarHBondContact CA-O 3.38Å; R390-M398 PolarHBondContact N-O 2.95Å; R390-M398 PolarHBondContact O-N 2.88Å; I392-M398 HydrophobicContact CD1-CB 4.06Å; I392-M398 HydrophobicContact CD1-CE 4.28Å; I392-M398 HydrophobicContact CG1-CB 4.44Å; M398-V400 HydrophobicContact CB-CG2 4.21Å; M398-V400 HydrophobicContact CG-CG2 3.93Å
399L97Very high93.2Very high0 Ų054.4 Ų54.40%028%0.283CS..EExtended strand (participates in β ladder)trans-77.6120.7162.4-175.171.8000108.1V360 F361 I378 F387 I389 L413 L415 L434V360-L399 HydrophobicContact CG1-CD2 4.49Å; V360-L399 PolarHBondContact N-O 3.43Å; F361-L399 HydrophobicContact CB-CB 4.13Å; F361-L399 HydrophobicContact CB-CD2 4.29Å; F361-L399 PolarHBondContact N-O 3.38Å; F361-L399 WeakPolarHBondContact O-CB 3.07Å; F361-L399 PolarHBondContact O-N 3.33Å; I378-L399 HydrophobicContact CD1-CD1 3.94Å; I378-L399 HydrophobicContact CG1-CD1 4.45Å; F387-L399 HydrophobicContact CB-CD1 3.89Å; F387-L399 HydrophobicContact CD1-CD1 4.33Å; F387-L399 HydrophobicContact CD1-CD2 4.11Å; F387-L399 HydrophobicContact CD1-CG 4.08Å; F387-L399 HydrophobicContact CG-CD1 4.41Å; I389-L399 HydrophobicContact CG1-CD1 4.21Å; L399-L413 HydrophobicContact CD1-CD1 4.38Å; L399-L413 HydrophobicContact CD2-CD1 3.77Å; L399-L415 HydrophobicContact CD1-CD2 3.96Å; L399-L415 HydrophobicContact CD2-CD1 4.28Å; L399-L434 HydrophobicContact CD2-CD2 3.7Å
400V96.9Very high93Very high1 Ų155.8 Ų55.81%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-116.3132.2-176.6-170.90000109.3P357 A358 D359 F387 Y388 R390 M398 A402P357-V400 HydrophobicContact CB-CG1 3.91Å; A358-V400 CarbonylContact O-C 3.6Å; A358-V400 WeakPolarHBondContact O-CA 3.42Å; A358-V400 WeakPolarHBondContact O-CG1 3.38Å; D359-V400 WeakPolarHBondContact OD1-CG2 3.35Å; F387-V400 CarbonylContact C-O 3.59Å; F387-V400 VanDerWaalsContact CA-O 3.3Å; F387-V400 WeakPolarHBondContact CA-O 3.46Å; Y388-V400 HydrophobicContact CD1-CB 4.04Å; Y388-V400 HydrophobicContact CD1-CG1 4.42Å; Y388-V400 HydrophobicContact CD2-CB 4.45Å; Y388-V400 HydrophobicContact CE1-CB 3.59Å; Y388-V400 HydrophobicContact CE1-CG1 3.55Å; Y388-V400 HydrophobicContact CE2-CB 4.03Å; Y388-V400 HydrophobicContact CE2-CG1 4.44Å; Y388-V400 HydrophobicContact CE2-CG2 4.18Å; Y388-V400 HydrophobicContact CG-CB 4.46Å; Y388-V400 PolarHBondContact N-O 2.03Å; Y388-V400 PolarHBondContact O-N 2.74Å; Y388-V400 WeakPolarHBondContact OH-CG1 3.02Å; R390-V400 HydrophobicContact CB-CG2 3.92Å; M398-V400 HydrophobicContact CB-CG2 4.21Å; M398-V400 HydrophobicContact CG-CG2 3.93Å; V400-A402 PolarHBondContact O-N 3.49Å
401L96.1Very high93Very high0 Ų051 Ų510%027%0.27CS..EExtended strand (participates in β ladder)trans-75.9116.9170.1-172.170.1000108.8R354 V356 P357 A358 V360 F387 R403 V405R354-L401 HydrophobicContact CB-CD2 4.4Å; V356-L401 HydrophobicContact CG1-CB 4.36Å; V356-L401 HydrophobicContact CG1-CD2 3.75Å; V356-L401 HydrophobicContact CG1-CG 3.84Å; P357-L401 VanDerWaalsContact CA-O 3.3Å; P357-L401 WeakPolarHBondContact CA-O 3.27Å; A358-L401 HydrophobicContact CB-CB 4.35Å; A358-L401 PolarHBondContact N-O 3.23Å; A358-L401 PolarHBondContact O-N 2.86Å; V360-L401 HydrophobicContact CG2-CB 3.66Å; F387-L401 HydrophobicContact CD1-CD1 3.97Å; F387-L401 HydrophobicContact CE1-CD1 3.5Å; F387-L401 HydrophobicContact CE2-CD1 4.43Å; F387-L401 HydrophobicContact CZ-CD1 3.76Å; L401-R403 WeakPolarHBondContact CD1-O 3.32Å; L401-R403 VanDerWaalsContact CG-O 3.23Å; L401-R403 WeakPolarHBondContact CG-O 3.31Å; L401-V405 HydrophobicContact CD1-CG1 3.9Å; L401-V405 HydrophobicContact CD1-CG2 4.26Å; L401-V405 HydrophobicContact CD2-CG2 4.2Å
402A95.1Very high93.2Very high39 Ų3949.7 Ų49.732%0.32227%0.269SS..  trans-88.5-27.7179.700000113.2D386 Y388 V400D386-A402 PolarHBondContact O-N 2.85Å; Y388-A402 HydrophobicContact CD1-CB 3.64Å; Y388-A402 HydrophobicContact CE1-CB 3.9Å; V400-A402 PolarHBondContact O-N 3.49Å
403R91.9Very high93.3Very high138 Ų13845.6 Ų45.652%0.52125%0.248SC..SBendtrans-133.6145-175.6-63.7-178.5-179178.51110.9Q384 L401 V405Q384-R403 PolarHBondContact O-NH1 2.81Å; L401-R403 WeakPolarHBondContact CD1-O 3.32Å; L401-R403 VanDerWaalsContact CG-O 3.23Å; L401-R403 WeakPolarHBondContact CG-O 3.31Å; R403-V405 PolarHBondContact O-N 3.11Å
404P92Very high93.7Very high83 Ų8342.9 Ų42.954%0.53923%0.233SC..  trans-58.8135.6174.2-18.432.1000109.3V356V356-P404 HydrophobicContact CG1-CG 4.47Å; V356-P404 HydrophobicContact CG2-CG 3.94Å
405V92.1Very high94.2Very high3 Ų339.7 Ų39.72%0.01822%0.216CC..  trans-110.2139.5176.1-70.80000109.1I350 E353 D386 L401 R403 Y411 V438I350-V405 HydrophobicContact CD1-CG2 3.84Å; E353-V405 PolarHBondContact N-O 2.97Å; D386-V405 HydrophobicContact CB-CG1 4.3Å; L401-V405 HydrophobicContact CD1-CG1 3.9Å; L401-V405 HydrophobicContact CD1-CG2 4.26Å; L401-V405 HydrophobicContact CD2-CG2 4.2Å; R403-V405 PolarHBondContact O-N 3.11Å; V405-Y411 HydrophobicContact CB-CE2 4.46Å; V405-Y411 HydrophobicContact CG1-CE2 4.08Å; V405-Y411 WeakPolarHBondContact CG1-OH 3.45Å; V405-V438 HydrophobicContact CB-CG1 4.33Å; V405-V438 HydrophobicContact CB-CG2 4.42Å; V405-V438 HydrophobicContact CG2-CG1 3.78Å; V405-V438 HydrophobicContact CG2-CG2 3.97Å
406T92.1Very high94.5Very high92 Ų9239.1 Ų39.156%0.56421%0.211SC*.  trans-107.7124.7176.5-48.60000108.9S352S352-T406 WeakPolarHBondContact OG-CA 3.41Å
407G89.9Confident94.5Very high14 Ų1440.3 Ų40.314%0.14422%0.217CC..SBendtrans-86.8177.6173.800000113.1S352 G439S352-G407 PolarHBondContact OG-N 3.42Å; G407-G439 WeakPolarHBondContact CA-O 3.44Å
408P92.4Very high94.3Very high114 Ų11440.7 Ų40.774%0.7422%0.219SC*.SBendcis-74.4124.3-4.829.9-32.5000110.9V438 A440P408-V438 WeakPolarHBondContact CA-O 3.42Å; P408-A440 HydrophobicContact CB-CB 4.38Å; P408-A440 HydrophobicContact CG-CB 4.46Å
409R92Very high93.9Very high121 Ų12140.3 Ų40.346%0.45722%0.218SC..EExtended strand (participates in β ladder)trans-149.7151.5-179-169.1171.8-177-177.81.6111.3Y411 V438R409-Y411 HydrophobicContact CG-CE2 4.11Å; R409-Y411 PolarHBondContact NH1-OH 2.93Å; R409-V438 HydrophobicContact CB-CB 4.4Å; R409-V438 PolarHBondContact N-O 3.07Å; R409-V438 WeakPolarHBondContact O-CB 3.48Å; R409-V438 PolarHBondContact O-N 3.44Å
410E93.5Very high93.5Very high66 Ų6643.4 Ų43.431%0.30823%0.233SC..EExtended strand (participates in β ladder)trans-118.3136.7176.7-176.8-177.617800110.7R308 V412 T435 V436 F437R308-E410 IonicContact CZ-OE1 3.74Å; R308-E410 IonicContact CZ-OE2 3.84Å; R308-E410 IonicContact NH1-OE1 3.97Å; R308-E410 PolarHBondContact NH1-OE1 3.49Å; R308-E410 IonicContact NH1-OE2 3.83Å; R308-E410 PolarHBondContact NH1-OE2 3.02Å; R308-E410 IonicContact NH2-OE2 3.39Å; R308-E410 PolarHBondContact NH2-OE2 3.03Å; E410-V412 HydrophobicContact CG-CG2 4.42Å; E410-T435 HydrophobicContact CG-CG2 3.88Å; E410-T435 VanDerWaalsContact OE1-CG2 3.25Å; E410-T435 WeakPolarHBondContact OE1-CG2 3.42Å; E410-V436 WeakPolarHBondContact CA-O 3.49Å; E410-F437 HydrophobicContact CB-CD1 4.4Å; E410-F437 HydrophobicContact CG-CD1 4.12Å; E410-F437 HydrophobicContact CG-CE1 3.95Å
411Y95.3Very high92.8Very high15 Ų1544 Ų446%0.05924%0.236CC..EExtended strand (participates in β ladder)trans-117.1130169.6-66.8-94000109.6D386 F387 V405 R409 T435 V436 V438D386-Y411 HydrophobicContact CB-CE1 4.38Å; D386-Y411 VanDerWaalsContact OD2-CE1 3.26Å; D386-Y411 WeakPolarHBondContact OD2-CE1 3.43Å; D386-Y411 PolarHBondContact OD2-OH 2.87Å; F387-Y411 AromaticContact CE2-CD1 3.73Å; F387-Y411 HydrophobicContact CE2-CD1 3.73Å; F387-Y411 HydrophobicContact CE2-CD2 4.18Å; F387-Y411 AromaticContact CE2-CE1 3.94Å; F387-Y411 HydrophobicContact CE2-CE1 3.94Å; F387-Y411 HydrophobicContact CE2-CE2 4.4Å; F387-Y411 AromaticContact CE2-CG 3.84Å; F387-Y411 HydrophobicContact CE2-CG 3.84Å; F387-Y411 HydrophobicContact CZ-CD2 4.36Å; F387-Y411 HydrophobicContact CZ-CG 4.35Å; V405-Y411 HydrophobicContact CB-CE2 4.46Å; V405-Y411 HydrophobicContact CG1-CE2 4.08Å; V405-Y411 WeakPolarHBondContact CG1-OH 3.45Å; R409-Y411 HydrophobicContact CG-CE2 4.11Å; R409-Y411 PolarHBondContact NH1-OH 2.93Å; Y411-T435 CarbonylContact O-C 3.16Å; Y411-T435 VanDerWaalsContact O-CA 3.31Å; Y411-T435 WeakPolarHBondContact O-CA 3.23Å; Y411-V436 PolarHBondContact N-O 2.81Å; Y411-V436 PolarHBondContact O-N 3.23Å; Y411-V438 HydrophobicContact CD2-CG2 3.88Å; Y411-V438 HydrophobicContact CE2-CG2 3.78Å
412V96.3Very high91.9Very high66 Ų6649.2 Ų49.240%0.427%0.273SS..EExtended strand (participates in β ladder)trans-110.7100.8170.6-177.20000107.6G381 E410 R433 T435G381-V412 WeakPolarHBondContact CA-O 3.19Å; E410-V412 HydrophobicContact CG-CG2 4.42Å; V412-R433 HydrophobicContact CG1-CG 3.86Å; V412-T435 HydrophobicContact CG2-CG2 4.36Å
413L97.5Very high91Very high0 Ų054.4 Ų54.40%029%0.294CS..EExtended strand (participates in β ladder)trans-100.7124.5-176.2-58.2177.8000110.2G381 N382 F387 L399 L415 R433 L434 V436G381-L413 VanDerWaalsContact C-CD2 3.47Å; G381-L413 VanDerWaalsContact O-CD2 3.25Å; G381-L413 WeakPolarHBondContact O-CD2 3.18Å; N382-L413 HydrophobicContact CB-CD2 4.13Å; F387-L413 HydrophobicContact CD1-CD1 4.27Å; F387-L413 HydrophobicContact CD2-CD1 3.91Å; F387-L413 HydrophobicContact CD2-CD2 4.23Å; F387-L413 HydrophobicContact CE1-CD1 4.47Å; F387-L413 HydrophobicContact CE2-CD1 4.16Å; F387-L413 HydrophobicContact CG-CD1 3.98Å; F387-L413 HydrophobicContact CZ-CD1 4.42Å; L399-L413 HydrophobicContact CD1-CD1 4.38Å; L399-L413 HydrophobicContact CD2-CD1 3.77Å; L413-L415 HydrophobicContact CB-CD2 3.98Å; L413-L415 HydrophobicContact CB-CG 4.31Å; L413-L415 PolarHBondContact O-N 3.49Å; L413-R433 CarbonylContact O-C 3.49Å; L413-R433 WeakPolarHBondContact O-CA 3.17Å; L413-L434 PolarHBondContact N-O 3.4Å; L413-L434 PolarHBondContact O-N 3.3Å; L413-V436 HydrophobicContact CD1-CG2 4.39Å
414D97Very high90Very high17 Ų1754.9 Ų54.99%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-93.5100.1170.2-78.5-4.8000108.4R379 A380 V431 R433R379-D414 HydrophobicContact CB-CB 4.24Å; R379-D414 WeakPolarHBondContact CB-O 3.27Å; R379-D414 PolarHBondContact N-O 2.97Å; A380-D414 HydrophobicContact CB-CB 4.08Å; A380-D414 PolarHBondContact N-O 2.97Å; A380-D414 PolarHBondContact O-N 3.11Å; D414-V431 HydrophobicContact CB-CG1 3.87Å; D414-R433 WeakPolarHBondContact OD1-CG 2.99Å; D414-R433 IonicContact OD1-CZ 3.5Å; D414-R433 IonicContact OD1-NE 3.06Å; D414-R433 PolarHBondContact OD1-NE 2.02Å; D414-R433 IonicContact OD1-NH2 3.36Å; D414-R433 PolarHBondContact OD1-NH2 2.96Å; D414-R433 IonicContact OD2-CZ 3.74Å; D414-R433 IonicContact OD2-NE 2.69Å; D414-R433 IonicContact OD2-NH2 2.84Å; D414-R433 PolarHBondContact OD2-NH2 3.28Å
415L96.7Very high89.3Confident4 Ų456.7 Ų56.72%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-92.3111.4179.5-49.7177.3000108.4I363 I378 I389 L399 L413 V431 L432 L434I363-L415 HydrophobicContact CD1-CB 4.05Å; I363-L415 HydrophobicContact CD1-CD1 3.86Å; I363-L415 HydrophobicContact CD1-CG 4.46Å; I363-L415 HydrophobicContact CG1-CD1 4.28Å; I378-L415 HydrophobicContact CB-CD2 4.48Å; I378-L415 HydrophobicContact CG1-CD2 3.96Å; I378-L415 HydrophobicContact CG2-CD2 4.27Å; I389-L415 HydrophobicContact CD1-CD2 4.35Å; L399-L415 HydrophobicContact CD1-CD2 3.96Å; L399-L415 HydrophobicContact CD2-CD1 4.28Å; L413-L415 HydrophobicContact CB-CD2 3.98Å; L413-L415 HydrophobicContact CB-CG 4.31Å; L413-L415 PolarHBondContact O-N 3.49Å; L415-V431 CarbonylContact O-C 3.55Å; L415-V431 WeakPolarHBondContact O-CA 3.35Å; L415-L432 HydrophobicContact CB-CB 4.28Å; L415-L432 HydrophobicContact CD1-CD2 4.15Å; L415-L432 PolarHBondContact N-O 2.03Å; L415-L432 PolarHBondContact O-N 2.87Å; L415-L434 HydrophobicContact CD1-CB 4.07Å; L415-L434 HydrophobicContact CD1-CD2 3.92Å
416E95.1Very high88.7Confident22 Ų2262.1 Ų62.110%0.10334%0.34CS..EExtended strand (participates in β ladder)trans-98.6129.5-175.3-174.9176.8-153.400111.1F376 Q377 R379 V418 S429 V431F376-E416 WeakPolarHBondContact CA-O 3.25Å; Q377-E416 HydrophobicContact CG-CB 4.02Å; Q377-E416 PolarHBondContact N-O 2.99Å; Q377-E416 PolarHBondContact NE2-OE2 2.86Å; Q377-E416 PolarHBondContact O-N 3.15Å; R379-E416 HydrophobicContact CB-CB 4Å; E416-V418 HydrophobicContact CG-CG2 3.95Å; E416-S429 WeakPolarHBondContact CG-OG 3.48Å; E416-S429 WeakPolarHBondContact OE1-CB 3.41Å; E416-S429 PolarHBondContact OE1-OG 2.76Å; E416-V431 HydrophobicContact CB-CG2 4.14Å; E416-V431 HydrophobicContact CG-CG2 4.15Å
417M93.2Very high88.3Confident30 Ų3066.4 Ų66.415%0.14835%0.346CS..EExtended strand (participates in β ladder)trans-104.5118166.3-175.9-174.471.300108.8A365 N374 A375 F376 S429 S430A365-M417 HydrophobicContact CB-CE 4.48Å; A365-M417 HydrophobicContact CB-SD 3.59Å; A365-M417 VanDerWaalsContact CB-SD 3.59Å; N374-M417 HydrophobicContact CB-CG 4.2Å; N374-M417 HydrophobicContact CB-SD 4.42Å; A375-M417 CarbonylContact O-C 3.51Å; A375-M417 WeakPolarHBondContact O-CA 3.35Å; F376-M417 HydrophobicContact CD1-CB 4.07Å; F376-M417 HydrophobicContact CD1-CG 3.98Å; F376-M417 HydrophobicContact CE1-CB 4.03Å; F376-M417 HydrophobicContact CE1-CG 3.58Å; F376-M417 HydrophobicContact CE1-SD 3.74Å; F376-M417 HydrophobicContact CZ-CG 4.12Å; F376-M417 HydrophobicContact CZ-SD 4.09Å; M417-S429 WeakPolarHBondContact O-CA 3.34Å; M417-S430 PolarHBondContact N-O 3.41Å; M417-S430 PolarHBondContact O-N 2.85Å
418V91.4Very high88.2Confident8 Ų866.5 Ų66.55%0.04835%0.345CS..EExtended strand (participates in β ladder)trans-103113.7173.6-174.30000108.3N374 A375 E416 M420 R427 A428N374-V418 WeakPolarHBondContact CA-O 3.4Å; A375-V418 HydrophobicContact CB-CB 4.36Å; A375-V418 PolarHBondContact N-O 2.89Å; A375-V418 PolarHBondContact O-N 3.37Å; E416-V418 HydrophobicContact CG-CG2 3.95Å; V418-M420 HydrophobicContact CG1-CE 4.32Å; V418-M420 HydrophobicContact CG1-CG 4.13Å; V418-R427 HydrophobicContact CG1-CG 4.08Å; V418-A428 CarbonylContact C-O 3.59Å; V418-A428 WeakPolarHBondContact CA-O 3.37Å
419T88.9Confident88.1Confident13 Ų1362 Ų628%0.0832%0.316CS..EExtended strand (participates in β ladder)trans-93.7124.2173.7-56.70000108.9A372 N374 R427 A428A372-T419 HydrophobicContact CB-CG2 4.03Å; N374-T419 WeakPolarHBondContact OD1-CB 3.48Å; N374-T419 WeakPolarHBondContact OD1-CG2 3.18Å; N374-T419 PolarHBondContact OD1-OG1 2.87Å; T419-R427 WeakPolarHBondContact O-CA 3.48Å; T419-A428 PolarHBondContact N-O 3.22Å; T419-A428 PolarHBondContact O-N 3.25Å
420M87.2Confident88.1Confident66 Ų6657.7 Ų57.733%0.32531%0.305SS..EExtended strand (participates in β ladder)trans-121.1134.4176.4-68.3-174.6153.200110.2A372 Y373 V418 Y426 R427A372-M420 CarbonylContact C-O 3.58Å; A372-M420 VanDerWaalsContact CA-O 3.27Å; A372-M420 WeakPolarHBondContact CA-O 3.08Å; Y373-M420 HydrophobicContact CD1-CB 3.81Å; Y373-M420 HydrophobicContact CE1-CB 3.91Å; Y373-M420 HydrophobicContact CE1-CG 4.15Å; Y373-M420 HydrophobicContact CE1-SD 3.75Å; Y373-M420 PolarHBondContact N-O 2.74Å; Y373-M420 PolarHBondContact O-N 3.5Å; V418-M420 HydrophobicContact CG1-CE 4.32Å; V418-M420 HydrophobicContact CG1-CG 4.13Å; M420-Y426 CarbonylContact C-O 3.52Å; M420-Y426 WeakPolarHBondContact CA-O 3.1Å; M420-R427 HydrophobicContact CE-CG 4.08Å; M420-R427 HydrophobicContact CG-CG 4.28Å
421N83.8Confident88.2Confident12 Ų1254.8 Ų54.86%0.06429%0.291CS..EExtended strand (participates in β ladder)trans-125.2109.1169.5-172.4-30000109A372 L423 M424 S425 Y426A372-N421 HydrophobicContact CB-CB 4.25Å; N421-L423 VanDerWaalsContact C-N 3.29Å; N421-L423 PolarHBondContact O-N 3.32Å; N421-L423 WeakPolarHBondContact OD1-CB 3.42Å; N421-L423 PolarHBondContact OD1-N 2.88Å; N421-M424 PolarHBondContact O-N 3.19Å; N421-M424 PolarHBondContact OD1-N 2.85Å; N421-S425 PolarHBondContact O-N 3.16Å; N421-S425 VanDerWaalsContact O-N 3.09Å; N421-Y426 PolarHBondContact N-O 3.26Å; N421-Y426 PolarHBondContact O-N 2.04Å; N421-Y426 VanDerWaalsContact O-N 3.16Å
422S75.8Confident88.3Confident111 Ų11155.2 Ų55.278%0.77630%0.295SS*.THydrogen-bonded Turntrans-68.1-26.4-177.9500000113.1
423L77.1Confident88.3Confident147 Ų14755.5 Ų55.577%0.7729%0.288SS*.THydrogen-bonded Turntrans-74.8-30.7178.4-63.7169.6000112.3N421N421-L423 VanDerWaalsContact C-N 3.29Å; N421-L423 PolarHBondContact O-N 3.32Å; N421-L423 WeakPolarHBondContact OD1-CB 3.42Å; N421-L423 PolarHBondContact OD1-N 2.88Å
424M71.4Confident88.2Confident148 Ų14855.5 Ų55.573%0.72929%0.288SS*.THydrogen-bonded Turntrans-108.14-176-59.3-174.479.700113.4N421 Y426N421-M424 PolarHBondContact O-N 3.19Å; N421-M424 PolarHBondContact OD1-N 2.85Å; M424-Y426 PolarHBondContact O-N 3.46Å; M424-Y426 VanDerWaalsContact O-N 3.1Å
425S76.3Confident88.2Confident121 Ų12155.1 Ų55.185%0.84629%0.287SS*.THydrogen-bonded Turntrans46.937.5-170.9-172.30000112.5N421N421-S425 PolarHBondContact O-N 3.16Å; N421-S425 VanDerWaalsContact O-N 3.09Å
426Y79.3Confident88.1Confident118 Ų11854.9 Ų54.946%0.46329%0.286SS..EExtended strand (participates in β ladder)trans-100.7126.6-175.6177.9-97.1000109.6M420 N421 M424 A428M420-Y426 CarbonylContact C-O 3.52Å; M420-Y426 WeakPolarHBondContact CA-O 3.1Å; N421-Y426 PolarHBondContact N-O 3.26Å; N421-Y426 PolarHBondContact O-N 2.04Å; N421-Y426 VanDerWaalsContact O-N 3.16Å; M424-Y426 PolarHBondContact O-N 3.46Å; M424-Y426 VanDerWaalsContact O-N 3.1Å; Y426-A428 HydrophobicContact CE1-CB 3.57Å; Y426-A428 HydrophobicContact CE2-CB 4.43Å; Y426-A428 VanDerWaalsContact OH-CB 3.28Å; Y426-A428 WeakPolarHBondContact OH-CB 3.44Å
427R84.8Confident88.1Confident182 Ų18254.2 Ų54.269%0.68728%0.282SS*.EExtended strand (participates in β ladder)trans-129122.8171.6-176.1-177.4-176.9-172.7-0.2108.3V418 T419 M420V418-R427 HydrophobicContact CG1-CG 4.08Å; T419-R427 WeakPolarHBondContact O-CA 3.48Å; M420-R427 HydrophobicContact CE-CG 4.08Å; M420-R427 HydrophobicContact CG-CG 4.28Å
428A86.6Confident88.2Confident15 Ų1553 Ų5312%0.12428%0.277CS..EExtended strand (participates in β ladder)trans-130.4144.9172.600000110.3V418 T419 Y426V418-A428 CarbonylContact C-O 3.59Å; V418-A428 WeakPolarHBondContact CA-O 3.37Å; T419-A428 PolarHBondContact N-O 3.22Å; T419-A428 PolarHBondContact O-N 3.25Å; Y426-A428 HydrophobicContact CE1-CB 3.57Å; Y426-A428 HydrophobicContact CE2-CB 4.43Å; Y426-A428 VanDerWaalsContact OH-CB 3.28Å; Y426-A428 WeakPolarHBondContact OH-CB 3.44Å
429S91.4Very high88.3Confident21 Ų2152.8 Ų52.815%0.14728%0.275CS..EExtended strand (participates in β ladder)trans-115.5138.2174.5167.90000109.5S341 E416 M417S341-S429 WeakPolarHBondContact CB-O 3.41Å; S341-S429 PolarHBondContact N-O 2.9Å; S341-S429 PolarHBondContact OG-O 2.99Å; E416-S429 WeakPolarHBondContact CG-OG 3.48Å; E416-S429 WeakPolarHBondContact OE1-CB 3.41Å; E416-S429 PolarHBondContact OE1-OG 2.76Å; M417-S429 WeakPolarHBondContact O-CA 3.34Å
430S92.9Very high88.5Confident30 Ų3053.9 Ų53.921%0.2129%0.286CS..EExtended strand (participates in β ladder)trans-130.8138.6168.9-64.90000109.1S341 S342 M417S341-S430 PolarHBondContact OG-OG 3.13Å; S342-S430 WeakPolarHBondContact OG-CB 2.94Å; S342-S430 PolarHBondContact OG-OG 3.4Å; M417-S430 PolarHBondContact N-O 3.41Å; M417-S430 PolarHBondContact O-N 2.85Å
431V95.4Very high88.8Confident4 Ų453.8 Ų53.82%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-113.2130.8-178.5170.40000110P340 S342 I343 V344 D414 L415 E416P340-V431 HydrophobicContact CB-CB 4.34Å; P340-V431 HydrophobicContact CB-CG2 3.76Å; P340-V431 HydrophobicContact CG-CB 4.46Å; P340-V431 HydrophobicContact CG-CG2 3.53Å; S342-V431 PolarHBondContact O-N 2.99Å; I343-V431 CarbonylContact C-O 3.52Å; I343-V431 VanDerWaalsContact CA-O 3.26Å; I343-V431 WeakPolarHBondContact CA-O 3.38Å; I343-V431 HydrophobicContact CG1-CB 4.35Å; V344-V431 PolarHBondContact N-O 3.32Å; D414-V431 HydrophobicContact CB-CG1 3.87Å; L415-V431 CarbonylContact O-C 3.55Å; L415-V431 WeakPolarHBondContact O-CA 3.35Å; E416-V431 HydrophobicContact CB-CG2 4.14Å; E416-V431 HydrophobicContact CG-CG2 4.15Å
432L95.6Very high89Confident25 Ų2557.1 Ų57.113%0.13130%0.303CS..EExtended strand (participates in β ladder)trans-97.4109163.4170.464.7000107.7V344 R346 F361 L415 L434V344-L432 HydrophobicContact CB-CD1 4.26Å; V344-L432 HydrophobicContact CG1-CD1 4.21Å; V344-L432 CarbonylContact O-C 3.53Å; V344-L432 WeakPolarHBondContact O-CA 3.29Å; R346-L432 HydrophobicContact CB-CD1 3.88Å; R346-L432 HydrophobicContact CG-CD1 3.5Å; F361-L432 HydrophobicContact CD1-CD2 4.22Å; F361-L432 HydrophobicContact CE1-CD2 3.42Å; F361-L432 VanDerWaalsContact CE1-CD2 3.42Å; F361-L432 HydrophobicContact CZ-CD2 3.99Å; L415-L432 HydrophobicContact CB-CB 4.28Å; L415-L432 HydrophobicContact CD1-CD2 4.15Å; L415-L432 PolarHBondContact N-O 2.03Å; L415-L432 PolarHBondContact O-N 2.87Å; L432-L434 PolarHBondContact O-N 3.06Å
433R96.2Very high89.5Confident71 Ų7154.3 Ų54.327%0.26828%0.277SS..EExtended strand (participates in β ladder)trans-83.497.4170.8-178.3161.6-69.4161.1-1.4108.7I343 V344 H345 R346 V412 L413 D414I343-R433 HydrophobicContact CG2-CB 4.12Å; V344-R433 PolarHBondContact O-N 2.69Å; H345-R433 WeakPolarHBondContact CA-O 3.25Å; R346-R433 PolarHBondContact N-O 2.98Å; V412-R433 HydrophobicContact CG1-CG 3.86Å; L413-R433 CarbonylContact O-C 3.49Å; L413-R433 WeakPolarHBondContact O-CA 3.17Å; D414-R433 WeakPolarHBondContact OD1-CG 2.99Å; D414-R433 IonicContact OD1-CZ 3.5Å; D414-R433 IonicContact OD1-NE 3.06Å; D414-R433 PolarHBondContact OD1-NE 2.02Å; D414-R433 IonicContact OD1-NH2 3.36Å; D414-R433 PolarHBondContact OD1-NH2 2.96Å; D414-R433 IonicContact OD2-CZ 3.74Å; D414-R433 IonicContact OD2-NE 2.69Å; D414-R433 IonicContact OD2-NH2 2.84Å; D414-R433 PolarHBondContact OD2-NH2 3.28Å
434L96.9Very high90.1Very high0 Ų049.7 Ų49.70%025%0.253CS..EExtended strand (participates in β ladder)trans-94.6115.4-179.9-176.966.8000109.6R346 M348 F361 L399 L413 L415 L432 V436R346-L434 HydrophobicContact CB-CD1 3.84Å; R346-L434 WeakPolarHBondContact O-CA 3.25Å; M348-L434 HydrophobicContact CG-CD1 3.94Å; M348-L434 HydrophobicContact CG-CG 4.39Å; M348-L434 HydrophobicContact SD-CD1 4Å; M348-L434 HydrophobicContact SD-CD2 3.84Å; M348-L434 HydrophobicContact SD-CG 4.25Å; F361-L434 HydrophobicContact CB-CD2 4.04Å; F361-L434 HydrophobicContact CD1-CD2 4.28Å; F361-L434 HydrophobicContact CD2-CD1 4.22Å; F361-L434 HydrophobicContact CD2-CD2 4.37Å; F361-L434 HydrophobicContact CE2-CD1 4.26Å; F361-L434 HydrophobicContact CG-CD2 3.97Å; L399-L434 HydrophobicContact CD2-CD2 3.7Å; L413-L434 PolarHBondContact N-O 3.4Å; L413-L434 PolarHBondContact O-N 3.3Å; L415-L434 HydrophobicContact CD1-CB 4.07Å; L415-L434 HydrophobicContact CD1-CD2 3.92Å; L432-L434 PolarHBondContact O-N 3.06Å; L434-V436 HydrophobicContact CD2-CG2 3.88Å; L434-V436 HydrophobicContact CG-CG2 3.82Å
435T96Very high91.1Very high9 Ų944.5 Ų44.56%0.05523%0.228CC..EExtended strand (participates in β ladder)trans-93.7116170.4-52.20000108.5R346 Y347 M348 E410 Y411 V412 F437R346-T435 PolarHBondContact O-N 3.11Å; Y347-T435 CarbonylContact C-O 3.58Å; Y347-T435 WeakPolarHBondContact CA-O 3.48Å; Y347-T435 HydrophobicContact CD1-CG2 4.07Å; Y347-T435 HydrophobicContact CE1-CG2 4.35Å; M348-T435 PolarHBondContact N-O 2.75Å; E410-T435 HydrophobicContact CG-CG2 3.88Å; E410-T435 VanDerWaalsContact OE1-CG2 3.25Å; E410-T435 WeakPolarHBondContact OE1-CG2 3.42Å; Y411-T435 CarbonylContact O-C 3.16Å; Y411-T435 VanDerWaalsContact O-CA 3.31Å; Y411-T435 WeakPolarHBondContact O-CA 3.23Å; V412-T435 HydrophobicContact CG2-CG2 4.36Å; T435-F437 HydrophobicContact CG2-CD2 4.5Å; T435-F437 HydrophobicContact CG2-CE1 4.03Å; T435-F437 HydrophobicContact CG2-CE2 3.86Å; T435-F437 HydrophobicContact CG2-CZ 3.58Å
436V95.6Very high91.9Very high0 Ų040.3 Ų40.30%019%0.193CC..EExtended strand (participates in β ladder)trans-107.4115179.1-173.50000108.2M348 I350 E410 Y411 L413 L434M348-V436 HydrophobicContact CG-CB 4.25Å; M348-V436 HydrophobicContact CG-CG1 4.14Å; M348-V436 HydrophobicContact CG-CG2 3.84Å; M348-V436 WeakPolarHBondContact O-CA 3.01Å; M348-V436 HydrophobicContact SD-CG2 4.04Å; I350-V436 HydrophobicContact CD1-CG1 3.79Å; I350-V436 HydrophobicContact CG1-CG1 3.79Å; I350-V436 HydrophobicContact CG2-CG1 4.23Å; E410-V436 WeakPolarHBondContact CA-O 3.49Å; Y411-V436 PolarHBondContact N-O 2.81Å; Y411-V436 PolarHBondContact O-N 3.23Å; L413-V436 HydrophobicContact CD1-CG2 4.39Å; L434-V436 HydrophobicContact CD2-CG2 3.88Å; L434-V436 HydrophobicContact CG-CG2 3.82Å
437F95.6Very high92.7Very high8 Ų835.7 Ų35.74%0.03518%0.178CC..EExtended strand (participates in β ladder)trans-89124.7170.2-59.9-75000109V301 F303 R308 Y347 M348 T349 I350 E410 T435V301-F437 HydrophobicContact CG1-CE2 4.21Å; F303-F437 HydrophobicContact CB-CB 3.71Å; F303-F437 HydrophobicContact CB-CD2 3.87Å; F303-F437 HydrophobicContact CB-CG 3.92Å; F303-F437 HydrophobicContact CD1-CB 4.38Å; F303-F437 HydrophobicContact CD1-CD1 4.07Å; F303-F437 AromaticContact CD1-CD2 3.92Å; F303-F437 HydrophobicContact CD1-CD2 3.92Å; F303-F437 HydrophobicContact CD1-CE1 4.36Å; F303-F437 HydrophobicContact CD1-CE2 4.19Å; F303-F437 AromaticContact CD1-CG 3.85Å; F303-F437 HydrophobicContact CD1-CG 3.85Å; F303-F437 HydrophobicContact CD1-CZ 4.42Å; F303-F437 HydrophobicContact CD2-CB 4.09Å; F303-F437 HydrophobicContact CD2-CG 4.39Å; F303-F437 HydrophobicContact CE1-CD1 4.26Å; F303-F437 HydrophobicContact CE1-CE1 4.38Å; F303-F437 HydrophobicContact CE1-CG 4.48Å; F303-F437 HydrophobicContact CG-CB 3.81Å; F303-F437 HydrophobicContact CG-CD1 4.31Å; F303-F437 HydrophobicContact CG-CD2 4.06Å; F303-F437 AromaticContact CG-CG 3.8Å; F303-F437 HydrophobicContact CG-CG 3.8Å; R308-F437 HydrophobicContact CB-CZ 4.39Å; Y347-F437 AromaticContact CD1-CE2 3.88Å; Y347-F437 HydrophobicContact CD1-CE2 3.88Å; Y347-F437 HydrophobicContact CD1-CZ 4.3Å; M348-F437 PolarHBondContact O-N 2.96Å; T349-F437 CarbonylContact C-O 3.59Å; T349-F437 VanDerWaalsContact CA-O 3.28Å; T349-F437 WeakPolarHBondContact CA-O 3.01Å; I350-F437 PolarHBondContact N-O 3.22Å; E410-F437 HydrophobicContact CB-CD1 4.4Å; E410-F437 HydrophobicContact CG-CD1 4.12Å; E410-F437 HydrophobicContact CG-CE1 3.95Å; T435-F437 HydrophobicContact CG2-CD2 4.5Å; T435-F437 HydrophobicContact CG2-CE1 4.03Å; T435-F437 HydrophobicContact CG2-CE2 3.86Å; T435-F437 HydrophobicContact CG2-CZ 3.58Å
438V94.4Very high93.2Very high5 Ų526.6 Ų26.63%0.0315%0.146CC..EExtended strand (participates in β ladder)trans-97.3112.5173.2-171.10000107.4I350 V405 P408 R409 Y411I350-V438 HydrophobicContact CD1-CG2 4Å; I350-V438 HydrophobicContact CG1-CB 4.36Å; I350-V438 HydrophobicContact CG1-CG1 4.34Å; I350-V438 HydrophobicContact CG1-CG2 3.88Å; I350-V438 CarbonylContact O-C 3.58Å; I350-V438 WeakPolarHBondContact O-CA 3.33Å; V405-V438 HydrophobicContact CB-CG1 4.33Å; V405-V438 HydrophobicContact CB-CG2 4.42Å; V405-V438 HydrophobicContact CG2-CG1 3.78Å; V405-V438 HydrophobicContact CG2-CG2 3.97Å; P408-V438 WeakPolarHBondContact CA-O 3.42Å; R409-V438 HydrophobicContact CB-CB 4.4Å; R409-V438 PolarHBondContact N-O 3.07Å; R409-V438 WeakPolarHBondContact O-CB 3.48Å; R409-V438 PolarHBondContact O-N 3.44Å; Y411-V438 HydrophobicContact CD2-CG2 3.88Å; Y411-V438 HydrophobicContact CE2-CG2 3.78Å
439G93Very high93.6Very high2 Ų227.3 Ų27.32%0.02115%0.147CC..  trans-61.4152.6175.200000111.4I350 S352 G407 Y441I350-G439 PolarHBondContact O-N 3.01Å; S352-G439 WeakPolarHBondContact CB-O 3.37Å; G407-G439 WeakPolarHBondContact CA-O 3.44Å; G439-Y441 PolarHBondContact O-N 3.04Å
440A93Very high93.7Very high37 Ų3727.8 Ų27.831%0.30615%0.147SC..SBendtrans-68.6-23.3-179.900000113.1P408P408-A440 HydrophobicContact CB-CB 4.38Å; P408-A440 HydrophobicContact CG-CB 4.46Å
441Y93.1Very high93.8Very high64 Ų6427.6 Ų27.625%0.25114%0.142SC..SBendtrans-113.9164.5-173.8-52.2-73.5000111.5Y256 P270 Y273 S352 G439 F443Y256-Y441 HydrophobicContact CD2-CD1 4.14Å; Y256-Y441 HydrophobicContact CD2-CE1 4.05Å; Y256-Y441 AromaticContact CE2-CD1 3.86Å; Y256-Y441 HydrophobicContact CE2-CD1 3.86Å; Y256-Y441 AromaticContact CE2-CE1 3.36Å; Y256-Y441 HydrophobicContact CE2-CE1 3.36Å; Y256-Y441 AromaticContact CZ-CE1 3.9Å; P270-Y441 HydrophobicContact CB-CD2 4.18Å; P270-Y441 HydrophobicContact CB-CE1 4.14Å; P270-Y441 HydrophobicContact CB-CE2 3.31Å; P270-Y441 WeakPolarHBondContact CB-OH 3.42Å; P270-Y441 HydrophobicContact CG-CD1 4.48Å; P270-Y441 HydrophobicContact CG-CD2 3.63Å; P270-Y441 HydrophobicContact CG-CE1 4.21Å; P270-Y441 HydrophobicContact CG-CE2 3.29Å; P270-Y441 HydrophobicContact CG-CG 4.23Å; Y273-Y441 AromaticContact CE2-CD2 3.84Å; Y273-Y441 HydrophobicContact CE2-CD2 3.84Å; Y273-Y441 HydrophobicContact CE2-CE2 4.25Å; S352-Y441 WeakPolarHBondContact CB-O 3.45Å; S352-Y441 PolarHBondContact N-O 3.43Å; G439-Y441 PolarHBondContact O-N 3.04Å; Y441-F443 VanDerWaalsContact C-N 3.29Å; Y441-F443 HydrophobicContact CD1-CE1 4.45Å; Y441-F443 HydrophobicContact CD1-CZ 4.36Å; Y441-F443 HydrophobicContact CD2-CZ 4.45Å; Y441-F443 HydrophobicContact CG-CE1 4.21Å; Y441-F443 HydrophobicContact CG-CE2 4.47Å; Y441-F443 AromaticContact CG-CZ 3.91Å; Y441-F443 HydrophobicContact CG-CZ 3.91Å
442T89.4Confident93.7Very high81 Ų8129.6 Ų29.650%0.49715%0.152SC..  trans-83.2-6.3-176.257.80000113.5T351 S352 E353T351-T442 WeakPolarHBondContact CB-O 3.49Å; T351-T442 PolarHBondContact OG1-O 3.3Å; S352-T442 WeakPolarHBondContact O-CG2 3.22Å; E353-T442 HydrophobicContact CB-CG2 3.98Å; E353-T442 HydrophobicContact CG-CG2 4.3Å
443F85.3Confident93.5Very high53 Ų5330 Ų3023%0.23215%0.154CC..  trans-117.70-17355.1-101.5000114.4Q255 Y256 P270 Y273 C281 Y441Q255-F443 HydrophobicContact CG-CB 4.49Å; Q255-F443 HydrophobicContact CG-CD1 3.81Å; Q255-F443 HydrophobicContact CG-CE1 4.13Å; Q255-F443 HydrophobicContact CG-CG 4.04Å; Y256-F443 HydrophobicContact CD2-CE1 4.37Å; Y256-F443 HydrophobicContact CD2-CZ 4.31Å; Y256-F443 HydrophobicContact CG-CZ 4.4Å; P270-F443 HydrophobicContact CG-CE2 4.41Å; P270-F443 HydrophobicContact CG-CZ 4.11Å; Y273-F443 HydrophobicContact CD1-CD2 4.29Å; Y273-F443 AromaticContact CD1-CE2 3.88Å; Y273-F443 HydrophobicContact CD1-CE2 3.88Å; Y273-F443 AromaticContact CE1-CD2 3.94Å; Y273-F443 HydrophobicContact CE1-CD2 3.94Å; Y273-F443 AromaticContact CE1-CE2 3.79Å; Y273-F443 HydrophobicContact CE1-CE2 3.79Å; Y273-F443 HydrophobicContact CG-CE2 4.47Å; C281-F443 HydrophobicContact CB-CD2 3.99Å; C281-F443 HydrophobicContact CB-CE2 3.43Å; C281-F443 VanDerWaalsContact CB-CE2 3.43Å; C281-F443 HydrophobicContact CB-CZ 4.1Å; Y441-F443 VanDerWaalsContact C-N 3.29Å; Y441-F443 HydrophobicContact CD1-CE1 4.45Å; Y441-F443 HydrophobicContact CD1-CZ 4.36Å; Y441-F443 HydrophobicContact CD2-CZ 4.45Å; Y441-F443 HydrophobicContact CG-CE1 4.21Å; Y441-F443 HydrophobicContact CG-CE2 4.47Å; Y441-F443 AromaticContact CG-CZ 3.91Å; Y441-F443 HydrophobicContact CG-CZ 3.91Å

Retrieved 443 of 443 residues in 2208.7 ms (Link to these results)