A0A096MIC2_POEFO Loading...

Interleukin 17a/f3

AlphaFold DB , UniProt , Accession A0A096MIC2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 156 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
1M40.9Very low46.2Very low245 Ų245159.3 Ų159.3100%1.20783%0.826SS**  0115.50-83.3177.370.600108.4
2L39Very low46.8Very low158 Ų158162.3 Ų162.383%0.82783%0.829SS**  trans-55.9143.5176.7-128.373.7000111.3
3L46.7Very low46.6Very low160 Ų160160 Ų16084%0.83883%0.827SS**  trans-173.778.3136.3-97.4160000108.6R5L3-R5 PolarHBondContact O-N 2.94Å
4T41.9Very low46.4Very low119 Ų119155.9 Ų155.973%0.7382%0.819SS**  trans-68.2115163.633.40000108.8
5R48.2Very low46.6Very low212 Ų212154 Ų15480%0.882%0.816SS**  trans-91.6102.1168.4-77.9-165175.8-155.80.3109.6L3 F7L3-R5 PolarHBondContact O-N 2.94Å; R5-F7 HydrophobicContact CB-CE2 4.23Å; R5-F7 PolarHBondContact O-N 2.94Å
6I50.8Low46.9Very low140 Ų140153.2 Ų153.272%0.71881%0.81SS**  trans-62.7118.8168.4-65.9164.3000108.2L8I6-L8 HydrophobicContact CG2-CD1 4.3Å; I6-L8 HydrophobicContact CG2-CG 3.94Å
7F50.8Low47.2Very low178 Ų178150.9 Ų150.978%0.78181%0.806SS**  trans-107.299.6163.9-78.5-81.4000108.3R5 L9R5-F7 HydrophobicContact CB-CE2 4.23Å; R5-F7 PolarHBondContact O-N 2.94Å; F7-L9 PolarHBondContact O-N 2.84Å
8L45.3Very low47.1Very low150 Ų150150.1 Ų150.179%0.78581%0.807SS**  trans-72.8104.9168.5-78.8157.6000108.3I6 L10I6-L8 HydrophobicContact CG2-CD1 4.3Å; I6-L8 HydrophobicContact CG2-CG 3.94Å; L8-L10 PolarHBondContact O-N 2.98Å; L8-L10 VanDerWaalsContact O-N 3.13Å
9L47.4Very low47.5Very low172 Ų172147.1 Ų147.190%0.90181%0.805SS**  trans-78.389.6168.5-71.2170.4000108.8F7 G11F7-L9 PolarHBondContact O-N 2.84Å; L9-G11 PolarHBondContact O-N 2.78Å
10L51.2Low47.9Very low147 Ų147144.8 Ų144.877%0.7780%0.8SS**  trans-71.4101.8164.9-75.6163000108.1L8 F12L8-L10 PolarHBondContact O-N 2.98Å; L8-L10 VanDerWaalsContact O-N 3.13Å; L10-F12 PolarHBondContact O-N 2.98Å
11G46.5Very low47.9Very low71 Ų71147.2 Ų147.273%0.73280%0.803SS**  trans-66.4114.1173.100000110.8L9 V13L9-G11 PolarHBondContact O-N 2.78Å; G11-V13 PolarHBondContact O-N 2.86Å
12F52.7Low48.2Very low195 Ų195144.2 Ų144.286%0.85578%0.783SS**  trans-74.1104.9167.4-74.7-86.6000108.7L10 S14L10-F12 PolarHBondContact O-N 2.98Å; F12-S14 PolarHBondContact O-N 3.17Å; F12-S14 VanDerWaalsContact O-N 3.1Å
13V45Very low48.5Very low133 Ų133147.6 Ų147.681%0.80679%0.785SS**  trans-7299.6165178.50000107.1G11 V15G11-V13 PolarHBondContact O-N 2.86Å; V13-V15 PolarHBondContact O-N 3.03Å; V13-V15 VanDerWaalsContact O-N 3.1Å
14S43.5Very low48.6Very low102 Ų102147.5 Ų147.571%0.71378%0.783SS**  trans-68.6103.4172-65.80000109.4F12 I16F12-S14 PolarHBondContact O-N 3.17Å; F12-S14 VanDerWaalsContact O-N 3.1Å; S14-I16 PolarHBondContact O-N 3.14Å; S14-I16 VanDerWaalsContact O-N 3.14Å
15V49.5Very low48.9Very low128 Ų128148.5 Ų148.578%0.77678%0.783SS**  trans-71.4103.4167.9-1760000107.4V13 P17V13-V15 PolarHBondContact O-N 3.03Å; V13-V15 VanDerWaalsContact O-N 3.1Å; V15-P17 WeakPolarHBondContact O-CD 3.36Å
16I50.6Low49Very low141 Ų141142.9 Ų142.972%0.72378%0.776SS**  trans-71.3119.3173.1-57173.8000107.2S14 V18S14-I16 PolarHBondContact O-N 3.14Å; S14-I16 VanDerWaalsContact O-N 3.14Å; I16-V18 PolarHBondContact O-N 3.1Å; I16-V18 VanDerWaalsContact O-N 3.17Å
17P51.7Low48.9Very low114 Ų114142.1 Ų142.174%0.7478%0.777SS**  trans-69.6116.3170-1.716.4000107.8V15 A19V15-P17 WeakPolarHBondContact O-CD 3.36Å; P17-A19 PolarHBondContact O-N 3.1Å
18V46.6Very low48.9Very low136 Ų136141.3 Ų141.382%0.82478%0.776SS**  trans-63.7107.7168173.80000107.4I16 S20I16-V18 PolarHBondContact O-N 3.1Å; I16-V18 VanDerWaalsContact O-N 3.17Å; V18-S20 VanDerWaalsContact C-N 3.32Å; V18-S20 PolarHBondContact O-N 3.24Å
19A54.8Low49Very low94 Ų94141.1 Ų141.178%0.77777%0.771SS**  trans-66.990175.300000109.6P17 K21P17-A19 PolarHBondContact O-N 3.1Å; A19-K21 PolarHBondContact O-N 3.26Å
20S55.1Low48.9Very low100 Ų100140.9 Ų140.970%0.69977%0.77SS**  trans-65.1101.9166.9171.50000108.4V18 K22V18-S20 VanDerWaalsContact C-N 3.32Å; V18-S20 PolarHBondContact O-N 3.24Å; S20-K22 PolarHBondContact O-N 3.18Å
21K47.4Very low48.9Very low197 Ų197143.5 Ų143.586%0.85777%0.77SS**  trans-63.782.9175.3-163.6175.9-170.4175.70109.2A19 R23A19-K21 PolarHBondContact O-N 3.26Å; K21-R23 PolarHBondContact O-N 2.77Å
22K48.4Very low49.4Very low182 Ų182145.6 Ų145.679%0.79177%0.77SS**  trans-58.9110.2164.8-84.7-175.2176.8-179.80106.2S20 I24S20-K22 PolarHBondContact O-N 3.18Å; K22-I24 VanDerWaalsContact C-N 3.25Å; K22-I24 PolarHBondContact O-N 2.88Å
23R45.3Very low49.7Very low229 Ų229147.7 Ų147.786%0.86477%0.773SS**  trans-59.197.9164.3-83.9-175.6-173.8-179.32.6106.1K21 I25K21-R23 PolarHBondContact O-N 2.77Å; R23-I25 PolarHBondContact O-N 2.84Å
24I48.5Very low50.5Low158 Ų158146.1 Ų146.181%0.8177%0.767SS**  trans-65.598.7159.6-60.9175.2000103.7K22 S26K22-I24 VanDerWaalsContact C-N 3.25Å; K22-I24 PolarHBondContact O-N 2.88Å; I24-S26 VanDerWaalsContact C-N 3.3Å; I24-S26 PolarHBondContact O-N 2.76Å
25I47.7Very low52Low140 Ų140149.7 Ų149.772%0.71877%0.77SS**  trans-60.6105165.1-64.6172.6000103.8R23 V27R23-I25 PolarHBondContact O-N 2.84Å; I25-V27 VanDerWaalsContact C-N 3.29Å; I25-V27 PolarHBondContact O-N 3.31Å
26S50.7Low53.1Low93 Ų93149.8 Ų149.865%0.6577%0.771SS**  trans-57.7103.8165.8-179.10000105.1I24 Q28I24-S26 VanDerWaalsContact C-N 3.3Å; I24-S26 PolarHBondContact O-N 2.76Å; S26-Q28 PolarHBondContact O-N 3.13Å
27V49.3Very low54.4Low124 Ų124150 Ų15075%0.75277%0.77SS**  trans-63.391.3166.1177.80000103.7I25 E29I25-V27 VanDerWaalsContact C-N 3.29Å; I25-V27 PolarHBondContact O-N 3.31Å; V27-E29 VanDerWaalsContact C-N 3.26Å; V27-E29 PolarHBondContact O-N 3.44Å
28Q49.8Very low55.7Low162 Ų162153.8 Ų153.876%0.75778%0.776SS**  trans-58.8102.8170-149151.1-7.300103.5S26 L30S26-Q28 PolarHBondContact O-N 3.13Å; Q28-L30 VanDerWaalsContact C-N 3.32Å; Q28-L30 PolarHBondContact O-N 3.4Å
29E47.4Very low57Low146 Ų146152.7 Ų152.768%0.68276%0.764SS**  trans-44.7107.2170.2-89.6-164.5149.100105.6V27 R31V27-E29 VanDerWaalsContact C-N 3.26Å; V27-E29 PolarHBondContact O-N 3.44Å; E29-R31 HydrophobicContact CB-CG 4.32Å; E29-R31 PolarHBondContact O-N 2.88Å; E29-R31 IonicContact OE2-NE 3.99Å
30L44.8Very low58.1Low167 Ų167154.1 Ų154.187%0.87476%0.763SS**  trans-63.586.2160.6-95.495000104.1Q28 P32Q28-L30 VanDerWaalsContact C-N 3.32Å; Q28-L30 PolarHBondContact O-N 3.4Å; L30-P32 WeakPolarHBondContact O-CD 3.06Å
31R52Low58.9Low201 Ų201154.1 Ų154.176%0.75876%0.755SS**  trans-60.2111.4167.2-76-171.1175.7-176.20.3104.8E29 R33E29-R31 HydrophobicContact CB-CG 4.32Å; E29-R31 PolarHBondContact O-N 2.88Å; E29-R31 IonicContact OE2-NE 3.99Å; R31-R33 PolarHBondContact O-N 3.14Å; R31-R33 VanDerWaalsContact O-N 3.08Å
32P56.8Low60.4Low115 Ų115149.3 Ų149.375%0.74774%0.739SS**  trans-55.5126.5174.5-18.131.4000105.8L30 S34L30-P32 WeakPolarHBondContact O-CD 3.06Å; P32-S34 VanDerWaalsContact C-N 3.32Å; P32-S34 PolarHBondContact O-N 2.77Å
33R58.5Low61.7Low240 Ų240144.6 Ų144.691%0.90673%0.728SS**  trans-56.7102.4173.8-107.2-177.6175.3-179.9-0.1106.6R31 K35R31-R33 PolarHBondContact O-N 3.14Å; R31-R33 VanDerWaalsContact O-N 3.08Å; R33-K35 PolarHBondContact O-N 3.08Å
34S63.2Low63.1Low99 Ų99136.4 Ų136.469%0.69271%0.706SS**  trans-68.398.4179.3550000107.9P32 T36P32-S34 VanDerWaalsContact C-N 3.32Å; P32-S34 PolarHBondContact O-N 2.77Å; S34-T36 PolarHBondContact O-N 3.32Å; S34-T36 VanDerWaalsContact O-N 3.14Å
35K73.6Confident64.1Low178 Ų178132.1 Ų132.177%0.77469%0.687SS**  trans-67.1112.7173-74.7-177.7179.9176.60107.1R33 M37R33-K35 PolarHBondContact O-N 3.08Å; K35-M37 PolarHBondContact O-N 2.71Å
36T72.7Confident65Low129 Ų129132.2 Ų132.279%0.79168%0.682SS**  trans-70.7117.6170.2-56.70000107.6S34S34-T36 PolarHBondContact O-N 3.32Å; S34-T36 VanDerWaalsContact O-N 3.14Å
37M78.9Confident65.7Low145 Ų145130.6 Ų130.671%0.71467%0.671SS**  trans-100.6149.1176-60.8-172.1-171.300110.3K35 L39K35-M37 PolarHBondContact O-N 2.71Å; M37-L39 PolarHBondContact O-N 3.3Å
38K78.5Confident66.3Low195 Ų195133.1 Ų133.185%0.84867%0.668SS**  trans-81105170.8-172.8-176.7178.7-172.90107.7
39L73.9Confident67Low113 Ų113129.8 Ų129.859%0.59266%0.655SS**  trans-89.6129.9172-69.8166.6000109.1M37 L114M37-L39 PolarHBondContact O-N 3.3Å; L39-L114 HydrophobicContact CD1-CD1 4.42Å; L39-L114 HydrophobicContact CD1-CD2 4.06Å
40V77.9Confident67.4Low123 Ų123127.2 Ų127.275%0.74565%0.653SS**  trans-110116.9166.6179.50000105.9D42V40-D42 PolarHBondContact O-N 3.21Å
41L72.4Confident68Low101 Ų101125.6 Ų125.653%0.52964%0.641SS.*  trans-80.4114.6174.6-69.5168.7000107.8S43 L76 L114L41-S43 PolarHBondContact O-N 3.38Å; L41-L76 HydrophobicContact CD1-CD2 3.63Å; L41-L76 HydrophobicContact CD2-CD2 3.79Å; L41-L76 HydrophobicContact CG-CD2 4.38Å; L41-L114 HydrophobicContact CD2-CD1 4.11Å
42D78.4Confident68.3Low96 Ų96120 Ų12051%0.51363%0.633SS.*  trans-64.2127.4171.6-176.2-3000109.2V40 S44 V45V40-D42 PolarHBondContact O-N 3.21Å; D42-S44 PolarHBondContact O-N 3.43Å; D42-S44 WeakPolarHBondContact OD1-CB 3.32Å; D42-S44 PolarHBondContact OD1-N 2.96Å; D42-S44 PolarHBondContact OD1-OG 2.86Å; D42-S44 PolarHBondContact OD2-OG 3.36Å; D42-V45 HydrophobicContact CB-CG2 4.22Å; D42-V45 WeakPolarHBondContact O-CB 3.48Å; D42-V45 WeakPolarHBondContact O-CG2 3.46Å; D42-V45 PolarHBondContact O-N 2.81Å; D42-V45 VanDerWaalsContact O-N 3.09Å
43S74.7Confident68.6Low83 Ų83124.4 Ų124.458%0.5864%0.636SS**THydrogen-bonded Turntrans-58.5-28.2177.3179.40000112.2L41 V45 K46L41-S43 PolarHBondContact O-N 3.38Å; S43-V45 PolarHBondContact O-N 3.2Å; S43-K46 WeakPolarHBondContact O-CB 3.47Å; S43-K46 PolarHBondContact O-N 2.96Å; S43-K46 VanDerWaalsContact O-N 3.15Å
44S75.4Confident68.8Low56 Ų56116 Ų11639%0.39262%0.618SS.*THydrogen-bonded Turntrans-59-28176.674.40000112.4D42 K46 S47 Y48D42-S44 PolarHBondContact O-N 3.43Å; D42-S44 WeakPolarHBondContact OD1-CB 3.32Å; D42-S44 PolarHBondContact OD1-N 2.96Å; D42-S44 PolarHBondContact OD1-OG 2.86Å; D42-S44 PolarHBondContact OD2-OG 3.36Å; S44-K46 PolarHBondContact O-N 2.86Å; S44-S47 PolarHBondContact O-N 2.85Å; S44-S47 PolarHBondContact O-OG 2.89Å; S44-Y48 WeakPolarHBondContact O-CD2 3.42Å
45V70.2Confident69Low68 Ų68114.3 Ų114.341%0.41261%0.606SS.*Hα-helixtrans-63.9-25.1179.6-178.40000112D42 S43 S47 Y48 L49D42-V45 HydrophobicContact CB-CG2 4.22Å; D42-V45 WeakPolarHBondContact O-CB 3.48Å; D42-V45 WeakPolarHBondContact O-CG2 3.46Å; D42-V45 PolarHBondContact O-N 2.81Å; D42-V45 VanDerWaalsContact O-N 3.09Å; S43-V45 PolarHBondContact O-N 3.2Å; V45-S47 VanDerWaalsContact C-N 3.26Å; V45-S47 PolarHBondContact O-N 3.31Å; V45-Y48 PolarHBondContact O-N 2.95Å; V45-L49 PolarHBondContact O-N 3.36Å
46K66.7Low69.4Low143 Ų143110.7 Ų110.762%0.62260%0.595SS**Hα-helixtrans-61.8-31.6180-67.1-178.9-178.6177.40112.9S43 S44 L49 S50S43-K46 WeakPolarHBondContact O-CB 3.47Å; S43-K46 PolarHBondContact O-N 2.96Å; S43-K46 VanDerWaalsContact O-N 3.15Å; S44-K46 PolarHBondContact O-N 2.86Å; K46-L49 PolarHBondContact O-N 2.92Å; K46-S50 PolarHBondContact O-N 2.87Å; K46-S50 PolarHBondContact O-OG 3.35Å; K46-S50 VanDerWaalsContact O-OG 3.13Å
47S65.3Low70.3Confident59 Ų59109.2 Ų109.241%0.41358%0.581SS.*Hα-helixtrans-70.7-33.9-179.763.20000112.5S44 V45 L49 S50 H51S44-S47 PolarHBondContact O-N 2.85Å; S44-S47 PolarHBondContact O-OG 2.89Å; V45-S47 VanDerWaalsContact C-N 3.26Å; V45-S47 PolarHBondContact O-N 3.31Å; S47-L49 VanDerWaalsContact C-N 3.31Å; S47-S50 PolarHBondContact O-N 3.32Å; S47-H51 PolarHBondContact O-ND1 2.67Å
48Y62.3Low71Confident177 Ų177102.6 Ų102.669%0.69455%0.549SS*.Hα-helixtrans-68.9-31.2176-61.6-86.1000112.2S44 V45 S50S44-Y48 WeakPolarHBondContact O-CD2 3.42Å; V45-Y48 PolarHBondContact O-N 2.95Å; Y48-S50 PolarHBondContact O-N 3.23Å
49L62.5Low71.6Confident91 Ų9199 Ų9948%0.47654%0.539SS..Hα-helixtrans-73.6-16.8175.6-61.2-179.6000113.3V45 K46 S47 P77V45-L49 PolarHBondContact O-N 3.36Å; K46-L49 PolarHBondContact O-N 2.92Å; S47-L49 VanDerWaalsContact C-N 3.31Å; L49-P77 HydrophobicContact CD1-CB 4.02Å; L49-P77 HydrophobicContact CD2-CB 3.64Å; L49-P77 HydrophobicContact CD2-CG 4.04Å; L49-P77 HydrophobicContact CG-CB 4.4Å
50S56.8Low72.5Confident92 Ų9299.8 Ų99.864%0.64354%0.543SS*.Hα-helixtrans-94.9-13.7-177.9-58.90000113.7K46 S47 Y48 S52K46-S50 PolarHBondContact O-N 2.87Å; K46-S50 PolarHBondContact O-OG 3.35Å; K46-S50 VanDerWaalsContact O-OG 3.13Å; S47-S50 PolarHBondContact O-N 3.32Å; Y48-S50 PolarHBondContact O-N 3.23Å; S50-S52 PolarHBondContact O-N 2.89Å; S50-S52 VanDerWaalsContact O-N 3.08Å
51H57Low73.2Confident134 Ų13495.1 Ų95.162%0.6252%0.517SS*.  trans-85.776.9179.5-78.884.8000110.9S47 Y53S47-H51 PolarHBondContact O-ND1 2.67Å; H51-Y53 VanDerWaalsContact C-N 3.35Å
52S59.7Low74.3Confident84 Ų8494 Ų9459%0.58751%0.511SS*.  trans-96.749.316971.50000111.2S50 A54S50-S52 PolarHBondContact O-N 2.89Å; S50-S52 VanDerWaalsContact O-N 3.08Å; S52-A54 VanDerWaalsContact C-N 3.33Å; S52-A54 PolarHBondContact O-N 2.79Å; S52-A54 VanDerWaalsContact O-N 3.09Å
53Y61.2Low75.2Confident207 Ų20789.6 Ų89.681%0.81249%0.487SS*.  trans-78.296164.7-67.5-75.1000106.7H51 S55H51-Y53 VanDerWaalsContact C-N 3.35Å; Y53-S55 PolarHBondContact O-N 2.82Å
54A62.8Low76.2Confident63 Ų6386.4 Ų86.452%0.52146%0.464SS..  trans-52.2112168.200000107.1S52 Y67S52-A54 VanDerWaalsContact C-N 3.33Å; S52-A54 PolarHBondContact O-N 2.79Å; S52-A54 VanDerWaalsContact O-N 3.09Å; A54-Y67 HydrophobicContact CB-CD2 3.69Å; A54-Y67 HydrophobicContact CB-CE2 3.83Å
55S67.8Low77.1Confident63 Ų6384.7 Ų84.744%0.44145%0.449SS..  trans-62.7145.9-178.349.90000109.5Y53 I57 A58Y53-S55 PolarHBondContact O-N 2.82Å; S55-I57 PolarHBondContact O-N 2.86Å; S55-I57 WeakPolarHBondContact OG-CG2 3.45Å; S55-A58 PolarHBondContact O-N 3.09Å
56N82.9Confident78.3Confident103 Ų10384.8 Ų84.855%0.55145%0.45SS*.THydrogen-bonded Turntrans-58.4-15.3177.3-162.1-14.5000112.1A58 N59 L60N56-A58 PolarHBondContact O-N 3.23Å; N56-A58 VanDerWaalsContact O-N 3.08Å; N56-N59 PolarHBondContact O-N 2.99Å; N56-L60 HydrophobicContact CB-CD1 4.22Å; N56-L60 WeakPolarHBondContact O-CG 3.3Å; N56-L60 PolarHBondContact O-N 3.29Å
57I91.1Very high79.5Confident98 Ų9881.4 Ų81.450%0.50343%0.434SS..Hα-helixtrans-52.7-32.7175.3-155173.2000113.2S55 N59 L60 S61 W65S55-I57 PolarHBondContact O-N 2.86Å; S55-I57 WeakPolarHBondContact OG-CG2 3.45Å; I57-N59 VanDerWaalsContact C-N 3.25Å; I57-N59 PolarHBondContact O-N 3.47Å; I57-L60 PolarHBondContact O-N 3.19Å; I57-S61 WeakPolarHBondContact O-CB 3.23Å; I57-S61 PolarHBondContact O-N 2.74Å; I57-W65 HydrophobicContact CG2-CH2 4.13Å; I57-W65 HydrophobicContact CG2-CZ2 3.9Å
58A92.9Very high80.8Confident5 Ų582.8 Ų82.84%0.04144%0.436CS..Hα-helixtrans-64.2-32.7-179.500000112.2S55 N56 P64 W65 Y67S55-A58 PolarHBondContact O-N 3.09Å; N56-A58 PolarHBondContact O-N 3.23Å; N56-A58 VanDerWaalsContact O-N 3.08Å; A58-P64 WeakPolarHBondContact O-CA 3.44Å; A58-P64 WeakPolarHBondContact O-CB 3.44Å; A58-W65 HydrophobicContact CB-CD2 3.93Å; A58-W65 HydrophobicContact CB-CG 4.14Å; A58-W65 HydrophobicContact CB-CZ2 4.01Å; A58-W65 PolarHBondContact O-N 2.89Å; A58-Y67 HydrophobicContact CB-CE2 4.48Å
59N91.9Very high82Confident119 Ų11978.4 Ų78.464%0.63642%0.424SS*.Hα-helixtrans-90.5-26177.8-64.8-20.9000112.6N56 I57N56-N59 PolarHBondContact O-N 2.99Å; I57-N59 VanDerWaalsContact C-N 3.25Å; I57-N59 PolarHBondContact O-N 3.47Å
60L92.1Very high83.3Confident130 Ų13076.1 Ų76.168%0.68141%0.414SS*.Hα-helixtrans-86.3-10.8-179.8-63173.5000113.4N56 I57N56-L60 HydrophobicContact CB-CD1 4.22Å; N56-L60 WeakPolarHBondContact O-CG 3.3Å; N56-L60 PolarHBondContact O-N 3.29Å; I57-L60 PolarHBondContact O-N 3.19Å
61S93.9Very high85Confident26 Ų2678.9 Ų78.918%0.18241%0.412CS..SBendtrans-69145.4177.3178.40000111.9I57 S63I57-S61 WeakPolarHBondContact O-CB 3.23Å; I57-S61 PolarHBondContact O-N 2.74Å; S61-S63 PolarHBondContact O-N 3.41Å; S61-S63 PolarHBondContact OG-N 3.22Å; S61-S63 PolarHBondContact OG-O 3.15Å; S61-S63 PolarHBondContact OG-OG 3.37Å
62L95.6Very high86.8Confident78 Ų7874.9 Ų74.941%0.40840%0.395SS..SBendtrans-65.3-25.4167.9-61.8179.1000112P64 C90 L91 L93L62-P64 VanDerWaalsContact C-CD 3.49Å; L62-P64 VanDerWaalsContact O-CD 3.27Å; L62-P64 WeakPolarHBondContact O-CD 3.36Å; L62-C90 CarbonylContact O-C 3.58Å; L62-C90 WeakPolarHBondContact O-CA 3.34Å; L62-L91 WeakPolarHBondContact O-CB 3.38Å; L62-L91 PolarHBondContact O-N 3.18Å; L62-L93 HydrophobicContact CD1-CD2 4.38Å; L62-L93 HydrophobicContact CD2-CD2 3.95Å
63S96.1Very high88.3Confident2 Ų273.6 Ų73.61%0.01439%0.386CS..SBendtrans-111.981169.953.10000107.6S61 C145 T146 C147S61-S63 PolarHBondContact O-N 3.41Å; S61-S63 PolarHBondContact OG-N 3.22Å; S61-S63 PolarHBondContact OG-O 3.15Å; S61-S63 PolarHBondContact OG-OG 3.37Å; S63-C145 VanDerWaalsContact OG-C 3.27Å; S63-C145 PolarHBondContact OG-O 3.2Å; S63-C145 VanDerWaalsContact OG-O 3.12Å; S63-T146 WeakPolarHBondContact OG-CA 3.24Å; S63-T146 PolarHBondContact OG-N 2.84Å; S63-C147 PolarHBondContact OG-N 3.15Å
64P95.1Very high89.9Confident16 Ų1665.8 Ų65.810%0.10436%0.362CS..  trans-68.7155.9-17328.9-36.6000112A58 L62 S86 T87 L91A58-P64 WeakPolarHBondContact O-CA 3.44Å; A58-P64 WeakPolarHBondContact O-CB 3.44Å; L62-P64 VanDerWaalsContact C-CD 3.49Å; L62-P64 VanDerWaalsContact O-CD 3.27Å; L62-P64 WeakPolarHBondContact O-CD 3.36Å; P64-S86 PolarHBondContact O-N 2.82Å; P64-T87 HydrophobicContact CG-CG2 4.29Å; P64-L91 HydrophobicContact CG-CD1 3.9Å; P64-L91 HydrophobicContact CG-CG 4.27Å
65W95.9Very high91.3Very high20 Ų2063.5 Ų63.58%0.07634%0.34CS..EExtended strand (participates in β ladder)trans-142.4158.3176.364.394000112.7I57 A58 Y67 A83 N84 C145I57-W65 HydrophobicContact CG2-CH2 4.13Å; I57-W65 HydrophobicContact CG2-CZ2 3.9Å; A58-W65 HydrophobicContact CB-CD2 3.93Å; A58-W65 HydrophobicContact CB-CG 4.14Å; A58-W65 HydrophobicContact CB-CZ2 4.01Å; A58-W65 PolarHBondContact O-N 2.89Å; W65-Y67 AromaticContact CD1-CZ 3.86Å; W65-Y67 AromaticContact NE1-CE1 3.84Å; W65-Y67 AromaticContact NE1-CE2 3.66Å; W65-Y67 AromaticContact NE1-CZ 3.27Å; W65-Y67 VanDerWaalsContact NE1-CZ 3.27Å; W65-Y67 PolarHBondContact NE1-OH 2.82Å; W65-Y67 VanDerWaalsContact NE1-OH 3.11Å; W65-A83 HydrophobicContact CB-CB 4.34Å; W65-A83 VanDerWaalsContact CD1-CB 3.42Å; W65-A83 HydrophobicContact CG-CB 3.94Å; W65-N84 CarbonylContact C-O 3.6Å; W65-N84 VanDerWaalsContact CA-O 3.24Å; W65-N84 WeakPolarHBondContact CA-O 3.09Å; W65-N84 VanDerWaalsContact CB-O 3.29Å; W65-N84 WeakPolarHBondContact CB-O 3.43Å; W65-C145 HydrophobicContact CB-CB 4.41Å; W65-C145 HydrophobicContact CE3-CB 3.89Å; W65-C145 WeakPolarHBondContact CZ3-O 3.49Å
66T94.7Very high92.3Very high70 Ų7063.2 Ų63.243%0.42933%0.333SS..EExtended strand (participates in β ladder)trans-109.9162.6167.554.40000109.7A83 N84T66-A83 CarbonylContact O-C 3.49Å; T66-A83 WeakPolarHBondContact O-CA 3.46Å; T66-N84 PolarHBondContact N-O 2.84Å; T66-N84 PolarHBondContact O-N 3.3Å
67Y92.8Very high92.7Very high72 Ų7259.8 Ų59.828%0.28232%0.316SS..EExtended strand (participates in β ladder)trans-104.1134.9174-72.2-73000111.1A54 A58 W65 L81 Q82 A83 V143A54-Y67 HydrophobicContact CB-CD2 3.69Å; A54-Y67 HydrophobicContact CB-CE2 3.83Å; A58-Y67 HydrophobicContact CB-CE2 4.48Å; W65-Y67 AromaticContact CD1-CZ 3.86Å; W65-Y67 AromaticContact NE1-CE1 3.84Å; W65-Y67 AromaticContact NE1-CE2 3.66Å; W65-Y67 AromaticContact NE1-CZ 3.27Å; W65-Y67 VanDerWaalsContact NE1-CZ 3.27Å; W65-Y67 PolarHBondContact NE1-OH 2.82Å; W65-Y67 VanDerWaalsContact NE1-OH 3.11Å; Y67-L81 HydrophobicContact CD1-CB 3.76Å; Y67-L81 HydrophobicContact CD1-CD1 4.4Å; Y67-L81 HydrophobicContact CE1-CB 4.43Å; Y67-L81 HydrophobicContact CG-CB 4.26Å; Y67-L81 HydrophobicContact CG-CD1 4.28Å; Y67-Q82 CarbonylContact C-O 3.47Å; Y67-Q82 WeakPolarHBondContact CA-O 3.05Å; Y67-A83 HydrophobicContact CD1-CB 4.2Å; Y67-A83 HydrophobicContact CE1-CB 3.93Å; Y67-V143 PolarHBondContact OH-O 2.69Å
68I91.7Very high92.7Very high89 Ų8959.2 Ų59.246%0.45631%0.312SS..EExtended strand (participates in β ladder)trans-111.2128.3173-55.1175.1000108.1T70 Q82 N84I68-T70 PolarHBondContact O-N 2.83Å; I68-Q82 PolarHBondContact N-O 3.13Å; I68-Q82 PolarHBondContact O-N 3.47Å; I68-N84 HydrophobicContact CD1-CB 3.69Å; I68-N84 HydrophobicContact CG1-CB 4.15Å
69D87.8Confident92.6Very high84 Ų8464.7 Ų64.745%0.44933%0.334SS..EExtended strand (participates in β ladder)trans-72.4123174.8-85-46.9000111.2K79 L81D69-K79 HydrophobicContact CB-CD 4.47Å; D69-K79 WeakPolarHBondContact OD1-CD 3.44Å; D69-K79 WeakPolarHBondContact OD1-CE 3.39Å; D69-K79 IonicContact OD1-NZ 2.65Å; D69-K79 PolarHBondContact OD1-NZ 2.86Å; D69-K79 VanDerWaalsContact OD2-CE 3.26Å; D69-K79 WeakPolarHBondContact OD2-CE 3.43Å; D69-K79 IonicContact OD2-NZ 2.64Å; D69-K79 PolarHBondContact OD2-NZ 3.32Å; D69-L81 WeakPolarHBondContact OD1-CD2 3.37Å
70T89.9Confident92.5Very high43 Ų4359.8 Ų59.826%0.26431%0.308SS..EExtended strand (participates in β ladder)trans-104.3122.116664.20000110.3I68 R75 K79 I80 Q82I68-T70 PolarHBondContact O-N 2.83Å; T70-R75 PolarHBondContact O-NH2 3.15Å; T70-K79 CarbonylContact O-C 3.48Å; T70-K79 WeakPolarHBondContact O-CA 3.49Å; T70-I80 PolarHBondContact N-O 3.41Å; T70-I80 PolarHBondContact O-N 3.27Å; T70-I80 PolarHBondContact OG1-O 3.43Å; T70-Q82 HydrophobicContact CG2-CB 4.35Å; T70-Q82 HydrophobicContact CG2-CG 3.48Å; T70-Q82 VanDerWaalsContact CG2-CG 3.48Å
71Y92.5Very high92.5Very high150 Ų15056.2 Ų56.259%0.58829%0.289SS*.EExtended strand (participates in β ladder)trans-111.7128.5-179179.8-99.7000111.8Q78 K79Y71-Q78 CarbonylContact C-O 3.52Å; Y71-Q78 WeakPolarHBondContact CA-O 3.46Å; Y71-Q78 HydrophobicContact CD2-CB 4.1Å; Y71-Q78 HydrophobicContact CE2-CB 3.72Å; Y71-Q78 HydrophobicContact CE2-CG 4.46Å; Y71-K79 HydrophobicContact CD2-CG 4.47Å
72N93.7Very high92.5Very high51 Ų5156.8 Ų56.827%0.27329%0.289SS..  trans-133.5110.3171.7-177.4-21.9000109.7S74 R75 Q78N72-S74 PolarHBondContact O-N 2.65Å; N72-S74 VanDerWaalsContact O-N 3.15Å; N72-S74 PolarHBondContact OD1-N 2.54Å; N72-R75 HydrophobicContact CB-CB 3.82Å; N72-R75 PolarHBondContact O-N 3.3Å; N72-R75 VanDerWaalsContact O-N 3.15Å; N72-Q78 PolarHBondContact N-O 2.89Å; N72-Q78 WeakPolarHBondContact O-CA 3.33Å
73S92.9Very high92.5Very high56 Ų5653.4 Ų53.439%0.39227%0.272SS..THydrogen-bonded Turntrans-64.2-19.8-176.865.30000114.1Q78S73-Q78 PolarHBondContact O-NE2 3.24Å
74S92.9Very high92.5Very high44 Ų4457.3 Ų57.331%0.30829%0.293SS..THydrogen-bonded Turntrans-103.213.8-179.1-59.80000112.8N72 Y115 R116N72-S74 PolarHBondContact O-N 2.65Å; N72-S74 VanDerWaalsContact O-N 3.15Å; N72-S74 PolarHBondContact OD1-N 2.54Å; S74-Y115 CarbonylContact O-C 3.53Å; S74-Y115 WeakPolarHBondContact O-CA 3.07Å; S74-R116 PolarHBondContact O-N 2.85Å
75R92.4Very high92.6Very high14 Ų1457.8 Ų57.85%0.05330%0.297CS..EExtended strand (participates in β ladder)trans-121.7150.3179.2-171.7-173.968.1-155.7-5.7111T70 N72 P77 Q78 I80 V113 L114 Y115 E139T70-R75 PolarHBondContact O-NH2 3.15Å; N72-R75 HydrophobicContact CB-CB 3.82Å; N72-R75 PolarHBondContact O-N 3.3Å; N72-R75 VanDerWaalsContact O-N 3.15Å; R75-P77 PolarHBondContact NE-O 2.93Å; R75-P77 CarbonylContact O-C 3.42Å; R75-Q78 PolarHBondContact NH2-O 3.26Å; R75-Q78 WeakPolarHBondContact O-CA 3.44Å; R75-Q78 WeakPolarHBondContact O-CG 3.36Å; R75-Q78 PolarHBondContact O-N 3.15Å; R75-I80 VanDerWaalsContact CZ-CD1 3.47Å; R75-V113 HydrophobicContact CG-CB 3.78Å; R75-V113 HydrophobicContact CG-CG1 4.25Å; R75-V113 HydrophobicContact CG-CG2 4.13Å; R75-L114 CarbonylContact C-O 3.58Å; R75-L114 VanDerWaalsContact CA-O 3.3Å; R75-L114 WeakPolarHBondContact CA-O 3.29Å; R75-Y115 HydrophobicContact CB-CD1 4.1Å; R75-Y115 HydrophobicContact CB-CE1 4.15Å; R75-Y115 HydrophobicContact CG-CD1 4.12Å; R75-Y115 HydrophobicContact CG-CE1 3.9Å; R75-E139 WeakPolarHBondContact CD-OE1 3.37Å; R75-E139 IonicContact CZ-OE2 2.65Å; R75-E139 IonicContact NE-OE1 3.83Å; R75-E139 IonicContact NE-OE2 3.52Å; R75-E139 IonicContact NH1-OE1 3.46Å; R75-E139 PolarHBondContact NH1-OE1 2.71Å; R75-E139 IonicContact NH1-OE2 3.3Å; R75-E139 PolarHBondContact NH1-OE2 2.67Å
76L90.1Very high92.5Very high58 Ų5860 Ų6030%0.30432%0.315SS..EExtended strand (participates in β ladder)trans-116.4127.2162.5-171.680.1000109.1L41 V113 L114L41-L76 HydrophobicContact CD1-CD2 3.63Å; L41-L76 HydrophobicContact CD2-CD2 3.79Å; L41-L76 HydrophobicContact CG-CD2 4.38Å; L76-V113 WeakPolarHBondContact O-CA 3.17Å; L76-L114 HydrophobicContact CB-CB 4.18Å; L76-L114 HydrophobicContact CD2-CD1 4.17Å; L76-L114 PolarHBondContact N-O 3.46Å; L76-L114 PolarHBondContact O-N 2.86Å
77P89.9Confident92.5Very high31 Ų3157.9 Ų57.920%0.20130%0.302CS..SBendcis-68.1149.9-8.830.6-34.7000111.9L49 R75 I80L49-P77 HydrophobicContact CD1-CB 4.02Å; L49-P77 HydrophobicContact CD2-CB 3.64Å; L49-P77 HydrophobicContact CD2-CG 4.04Å; L49-P77 HydrophobicContact CG-CB 4.4Å; R75-P77 PolarHBondContact NE-O 2.93Å; R75-P77 CarbonylContact O-C 3.42Å; P77-I80 HydrophobicContact CG-CD1 4.32Å; P77-I80 HydrophobicContact CG-CG1 3.92Å
78Q91.1Very high92.6Very high86 Ų8659 Ų5940%0.40232%0.32SS..SBendtrans-71.2-39.1-178.1-71.9-179.1-4000111.5Y71 N72 S73 R75Y71-Q78 CarbonylContact C-O 3.52Å; Y71-Q78 WeakPolarHBondContact CA-O 3.46Å; Y71-Q78 HydrophobicContact CD2-CB 4.1Å; Y71-Q78 HydrophobicContact CE2-CB 3.72Å; Y71-Q78 HydrophobicContact CE2-CG 4.46Å; N72-Q78 PolarHBondContact N-O 2.89Å; N72-Q78 WeakPolarHBondContact O-CA 3.33Å; S73-Q78 PolarHBondContact O-NE2 3.24Å; R75-Q78 PolarHBondContact NH2-O 3.26Å; R75-Q78 WeakPolarHBondContact O-CA 3.44Å; R75-Q78 WeakPolarHBondContact O-CG 3.36Å; R75-Q78 PolarHBondContact O-N 3.15Å
79K90.8Very high92.7Very high120 Ų12055 Ų5552%0.52230%0.301SS..EExtended strand (participates in β ladder)trans-99135173.5-116.2-174.3-170-163.40110.5D69 T70 Y71D69-K79 HydrophobicContact CB-CD 4.47Å; D69-K79 WeakPolarHBondContact OD1-CD 3.44Å; D69-K79 WeakPolarHBondContact OD1-CE 3.39Å; D69-K79 IonicContact OD1-NZ 2.65Å; D69-K79 PolarHBondContact OD1-NZ 2.86Å; D69-K79 VanDerWaalsContact OD2-CE 3.26Å; D69-K79 WeakPolarHBondContact OD2-CE 3.43Å; D69-K79 IonicContact OD2-NZ 2.64Å; D69-K79 PolarHBondContact OD2-NZ 3.32Å; T70-K79 CarbonylContact O-C 3.48Å; T70-K79 WeakPolarHBondContact O-CA 3.49Å; Y71-K79 HydrophobicContact CD2-CG 4.47Å
80I91.1Very high93.1Very high16 Ų1651 Ų518%0.08228%0.28CS..EExtended strand (participates in β ladder)trans-134.6129.1169.1-68.5179.5000107.4T70 R75 P77 V111 V113 I141T70-I80 PolarHBondContact N-O 3.41Å; T70-I80 PolarHBondContact O-N 3.27Å; T70-I80 PolarHBondContact OG1-O 3.43Å; R75-I80 VanDerWaalsContact CZ-CD1 3.47Å; P77-I80 HydrophobicContact CG-CD1 4.32Å; P77-I80 HydrophobicContact CG-CG1 3.92Å; I80-V111 HydrophobicContact CD1-CG2 4.38Å; I80-V113 HydrophobicContact CD1-CG1 4.05Å; I80-I141 HydrophobicContact CG2-CB 4.32Å; I80-I141 HydrophobicContact CG2-CD1 4.46Å; I80-I141 HydrophobicContact CG2-CG2 3.64Å
81L90.9Very high93.4Very high55 Ų5551.9 Ų51.929%0.28828%0.283SS..EExtended strand (participates in β ladder)trans-77.5131.6173.3-61.3180000110.2Y67 D69Y67-L81 HydrophobicContact CD1-CB 3.76Å; Y67-L81 HydrophobicContact CD1-CD1 4.4Å; Y67-L81 HydrophobicContact CE1-CB 4.43Å; Y67-L81 HydrophobicContact CG-CB 4.26Å; Y67-L81 HydrophobicContact CG-CD1 4.28Å; D69-L81 WeakPolarHBondContact OD1-CD2 3.37Å
82Q94.2Very high93.3Very high38 Ų3846.4 Ų46.418%0.17826%0.263CS..EExtended strand (participates in β ladder)trans-110.6122.3171.2-68.8-80.5-9.400108.6Y67 I68 T70 T142Y67-Q82 CarbonylContact C-O 3.47Å; Y67-Q82 WeakPolarHBondContact CA-O 3.05Å; I68-Q82 PolarHBondContact N-O 3.13Å; I68-Q82 PolarHBondContact O-N 3.47Å; T70-Q82 HydrophobicContact CG2-CB 4.35Å; T70-Q82 HydrophobicContact CG2-CG 3.48Å; T70-Q82 VanDerWaalsContact CG2-CG 3.48Å; Q82-T142 PolarHBondContact OE1-OG1 2.64Å; Q82-T142 VanDerWaalsContact OE1-OG1 3.1Å
83A95.4Very high93Very high7 Ų751.1 Ų51.16%0.05829%0.288CS..EExtended strand (participates in β ladder)trans-67.8136.6169.500000110.5W65 T66 Y67 T142 G144W65-A83 HydrophobicContact CB-CB 4.34Å; W65-A83 VanDerWaalsContact CD1-CB 3.42Å; W65-A83 HydrophobicContact CG-CB 3.94Å; T66-A83 CarbonylContact O-C 3.49Å; T66-A83 WeakPolarHBondContact O-CA 3.46Å; Y67-A83 HydrophobicContact CD1-CB 4.2Å; Y67-A83 HydrophobicContact CE1-CB 3.93Å; A83-T142 HydrophobicContact CB-CG2 4.02Å; A83-T142 PolarHBondContact N-O 2.92Å; A83-T142 WeakPolarHBondContact O-CB 3.34Å; A83-T142 VanDerWaalsContact O-CG2 3.3Å; A83-T142 WeakPolarHBondContact O-CG2 3.31Å; A83-G144 VanDerWaalsContact CB-CA 3.48Å
84N96.4Very high92.6Very high83 Ų8355.1 Ų55.144%0.44430%0.3SS..EExtended strand (participates in β ladder)trans-124.8116.7174.2-177.654.9000108.8W65 T66 I68 S86W65-N84 CarbonylContact C-O 3.6Å; W65-N84 VanDerWaalsContact CA-O 3.24Å; W65-N84 WeakPolarHBondContact CA-O 3.09Å; W65-N84 VanDerWaalsContact CB-O 3.29Å; W65-N84 WeakPolarHBondContact CB-O 3.43Å; T66-N84 PolarHBondContact N-O 2.84Å; T66-N84 PolarHBondContact O-N 3.3Å; I68-N84 HydrophobicContact CD1-CB 3.69Å; I68-N84 HydrophobicContact CG1-CB 4.15Å; N84-S86 PolarHBondContact O-N 2.95Å
85C96.8Very high91.7Very high27 Ų2756.2 Ų56.218%0.18232%0.319CS..EExtended strand (participates in β ladder)trans-61.7131.1-179-47.60000109.5T87 C145C85-T87 VanDerWaalsContact C-N 3.3Å; C85-C145 WeakPolarHBondContact CA-SG 3.27Å; C85-C145 HydrophobicContact CB-CB 4.01Å; C85-C145 WeakPolarHBondContact CB-SG 3.29Å; C85-C145 PolarHBondContact N-SG 3.19Å; C85-C145 VanDerWaalsContact N-SG 3.42Å; C85-C145 WeakPolarHBondContact SG-CB 3.39Å; C85-C145 CovalentContact SG-SG 2.04Å; C85-C145 PolarHBondContact SG-SG 2.91Å
86S95.2Very high91.1Very high65 Ų6565.9 Ų65.946%0.45536%0.355SS..SBendtrans-81-16.3-175.9-56.60000112.5P64 N84P64-S86 PolarHBondContact O-N 2.82Å; N84-S86 PolarHBondContact O-N 2.95Å
87T94.6Very high91Very high26 Ų2664.7 Ų64.716%0.1636%0.356CS..  trans-133.6160.6-176.756.70000109.9P64 C85 G89 L91 E98P64-T87 HydrophobicContact CG-CG2 4.29Å; C85-T87 VanDerWaalsContact C-N 3.3Å; T87-G89 VanDerWaalsContact CB-O 3.28Å; T87-G89 WeakPolarHBondContact CB-O 3.3Å; T87-G89 PolarHBondContact OG1-O 2.83Å; T87-L91 HydrophobicContact CG2-CD2 4.29Å; T87-E98 WeakPolarHBondContact CB-OE1 3.05Å; T87-E98 HydrophobicContact CG2-CG 4.18Å; T87-E98 WeakPolarHBondContact CG2-OE1 3.44Å
88S94.1Very high91.2Very high95 Ų9567.4 Ų67.466%0.66437%0.367SS*.SBendtrans-89.2-32.3172.850.60000112.9E98 A104S88-E98 PolarHBondContact N-OE2 2.95Å; S88-E98 PolarHBondContact OG-OE2 3.11Å; S88-A104 PolarHBondContact O-N 2.86Å
89G94.5Very high91.2Very high6 Ų665.9 Ų65.96%0.06236%0.361CS..EExtended strand (participates in β ladder)trans-107.8-179.1172.500000111.8T87 E98 L102 A104T87-G89 VanDerWaalsContact CB-O 3.28Å; T87-G89 WeakPolarHBondContact CB-O 3.3Å; T87-G89 PolarHBondContact OG1-O 2.83Å; G89-E98 VanDerWaalsContact CA-OE2 3.29Å; G89-E98 WeakPolarHBondContact CA-OE2 3.23Å; G89-E98 PolarHBondContact N-OE2 3.26Å; G89-L102 VanDerWaalsContact CA-O 3.26Å; G89-L102 WeakPolarHBondContact CA-O 3.48Å; G89-A104 WeakPolarHBondContact O-CB 2.81Å
90C95.9Very high90.9Very high0 Ų065.2 Ų65.20%038%0.378CS..EExtended strand (participates in β ladder)trans-95.2143.7178.8-50.40000110.8L62 E98 D99 L102 E103 C147L62-C90 CarbonylContact O-C 3.58Å; L62-C90 WeakPolarHBondContact O-CA 3.34Å; C90-E98 CarbonylContact O-C 3.51Å; C90-E98 VanDerWaalsContact O-CA 3.31Å; C90-E98 WeakPolarHBondContact O-CA 3.32Å; C90-D99 PolarHBondContact O-N 2.91Å; C90-L102 HydrophobicContact CB-CB 3.94Å; C90-L102 HydrophobicContact CB-CD1 4.26Å; C90-L102 VanDerWaalsContact SG-CB 3.55Å; C90-E103 PolarHBondContact SG-O 2.88Å; C90-C147 HydrophobicContact CB-CB 3.99Å; C90-C147 WeakPolarHBondContact CB-SG 3.29Å; C90-C147 WeakPolarHBondContact SG-CA 3.26Å; C90-C147 WeakPolarHBondContact SG-CB 3.28Å; C90-C147 CovalentContact SG-SG 2.02Å; C90-C147 PolarHBondContact SG-SG 3.02Å
91L95.1Very high90.9Very high61 Ų6169 Ų6932%0.31940%0.402SS..EExtended strand (participates in β ladder)trans-61.4137.1171.8-60.7-178.2000110.8L62 P64 T87 G97L62-L91 WeakPolarHBondContact O-CB 3.38Å; L62-L91 PolarHBondContact O-N 3.18Å; P64-L91 HydrophobicContact CG-CD1 3.9Å; P64-L91 HydrophobicContact CG-CG 4.27Å; T87-L91 HydrophobicContact CG2-CD2 4.29Å; L91-G97 WeakPolarHBondContact CA-O 3.34Å
92N90.7Very high91.1Very high35 Ų3568.2 Ų68.219%0.18740%0.398CS..PPolyproline II helixtrans-75.5157.3170.565.251.2000111.4Q94 G95 R96 G97N92-Q94 PolarHBondContact O-N 3.08Å; N92-Q94 PolarHBondContact OD1-N 3.12Å; N92-G95 PolarHBondContact O-N 3.24Å; N92-G95 VanDerWaalsContact O-N 3.08Å; N92-G95 PolarHBondContact OD1-N 3.1Å; N92-R96 PolarHBondContact OD1-N 2.97Å; N92-G97 PolarHBondContact N-O 3.3Å; N92-G97 PolarHBondContact ND2-O 2.82Å; N92-G97 VanDerWaalsContact ND2-O 3.15Å
93L87.3Confident91.2Very high150 Ų15069.8 Ų69.879%0.78541%0.405SS*.THydrogen-bonded Turntrans-65.5-19.6-178.7-63.2178000113.6L62 G95L62-L93 HydrophobicContact CD1-CD2 4.38Å; L62-L93 HydrophobicContact CD2-CD2 3.95Å; L93-G95 VanDerWaalsContact C-N 3.31Å
94Q85Confident91.3Very high140 Ų14069.9 Ų69.965%0.65441%0.406SS*.THydrogen-bonded Turntrans-85.1-2.4176.9-61.688.714.100113.2N92 R96N92-Q94 PolarHBondContact O-N 3.08Å; N92-Q94 PolarHBondContact OD1-N 3.12Å; Q94-R96 HydrophobicContact CB-CG 4Å; Q94-R96 PolarHBondContact O-N 3.03Å
95G74.3Confident91.4Very high67 Ų6770.2 Ų70.269%0.69140%0.403SS*.SBendtrans67.619.2-178.200000114.4N92 L93 G97N92-G95 PolarHBondContact O-N 3.24Å; N92-G95 VanDerWaalsContact O-N 3.08Å; N92-G95 PolarHBondContact OD1-N 3.1Å; L93-G95 VanDerWaalsContact C-N 3.31Å; G95-G97 VanDerWaalsContact C-N 3.33Å; G95-G97 PolarHBondContact O-N 2.97Å
96R79.1Confident91.4Very high218 Ų21871.8 Ų71.882%0.82341%0.413SS*.SBendtrans-9216.9-174.1-62.9-174.3-179.3179.5-0.3114.2N92 Q94N92-R96 PolarHBondContact OD1-N 2.97Å; Q94-R96 HydrophobicContact CB-CG 4Å; Q94-R96 PolarHBondContact O-N 3.03Å
97G88.2Confident91.6Very high32 Ų3272.2 Ų72.233%0.3341%0.41SS..SBendtrans114.1-157.7-175.900000113.2L91 N92 G95L91-G97 WeakPolarHBondContact CA-O 3.34Å; N92-G97 PolarHBondContact N-O 3.3Å; N92-G97 PolarHBondContact ND2-O 2.82Å; N92-G97 VanDerWaalsContact ND2-O 3.15Å; G95-G97 VanDerWaalsContact C-N 3.33Å; G95-G97 PolarHBondContact O-N 2.97Å
98E94Very high91.7Very high89 Ų8975.8 Ų75.842%0.41642%0.423SS..EExtended strand (participates in β ladder)trans-88.6139.9-174.8-61.6178.1-143.900111.8T87 S88 G89 C90T87-E98 WeakPolarHBondContact CB-OE1 3.05Å; T87-E98 HydrophobicContact CG2-CG 4.18Å; T87-E98 WeakPolarHBondContact CG2-OE1 3.44Å; S88-E98 PolarHBondContact N-OE2 2.95Å; S88-E98 PolarHBondContact OG-OE2 3.11Å; G89-E98 VanDerWaalsContact CA-OE2 3.29Å; G89-E98 WeakPolarHBondContact CA-OE2 3.23Å; G89-E98 PolarHBondContact N-OE2 3.26Å; C90-E98 CarbonylContact O-C 3.51Å; C90-E98 VanDerWaalsContact O-CA 3.31Å; C90-E98 WeakPolarHBondContact O-CA 3.32Å
99D91.6Very high91.8Very high54 Ų5478.2 Ų78.229%0.28942%0.418SS..EExtended strand (participates in β ladder)trans-80.9110.3165.6-175.3-17.9000108.8C90 T101 L102C90-D99 PolarHBondContact O-N 2.91Å; D99-T101 VanDerWaalsContact CG-OG1 3.29Å; D99-T101 PolarHBondContact O-N 2.91Å; D99-T101 VanDerWaalsContact O-N 3.16Å; D99-T101 WeakPolarHBondContact OD1-CB 3.36Å; D99-T101 PolarHBondContact OD1-N 2.94Å; D99-T101 PolarHBondContact OD1-OG1 2.02Å; D99-T101 PolarHBondContact OD2-OG1 3.26Å; D99-L102 HydrophobicContact CB-CD1 4.32Å; D99-L102 PolarHBondContact O-N 3.49Å
100A85.7Confident92Very high106 Ų10684.5 Ų84.588%0.87645%0.446SS*.EExtended strand (participates in β ladder)trans-67.8-9.4-178.400000113.9L102A100-L102 VanDerWaalsContact C-N 3.32Å
101T90.9Very high91.9Very high94 Ų9486 Ų8658%0.57746%0.455SS*.EExtended strand (participates in β ladder)trans-85.7-8.1176.371.40000113D99 P150D99-T101 VanDerWaalsContact CG-OG1 3.29Å; D99-T101 PolarHBondContact O-N 2.91Å; D99-T101 VanDerWaalsContact O-N 3.16Å; D99-T101 WeakPolarHBondContact OD1-CB 3.36Å; D99-T101 PolarHBondContact OD1-N 2.94Å; D99-T101 PolarHBondContact OD1-OG1 2.02Å; D99-T101 PolarHBondContact OD2-OG1 3.26Å; T101-P150 WeakPolarHBondContact O-CD 3.47Å
102L94.7Very high91.8Very high39 Ų3988.8 Ų88.820%0.20447%0.47CS..EExtended strand (participates in β ladder)trans-125.8150-175.5-57.9174.8000111G89 C90 D99 A100 V148 R149G89-L102 VanDerWaalsContact CA-O 3.26Å; G89-L102 WeakPolarHBondContact CA-O 3.48Å; C90-L102 HydrophobicContact CB-CB 3.94Å; C90-L102 HydrophobicContact CB-CD1 4.26Å; C90-L102 VanDerWaalsContact SG-CB 3.55Å; D99-L102 HydrophobicContact CB-CD1 4.32Å; D99-L102 PolarHBondContact O-N 3.49Å; A100-L102 VanDerWaalsContact C-N 3.32Å; L102-V148 WeakPolarHBondContact CA-O 3.39Å; L102-R149 HydrophobicContact CD2-CG 3.68Å
103E96.3Very high91.9Very high72 Ų7287.3 Ų87.334%0.33646%0.462SS..EExtended strand (participates in β ladder)trans-117.6134.9-179.6-61-174.9-170.400111C90 K105 V148C90-E103 PolarHBondContact SG-O 2.88Å; E103-K105 HydrophobicContact CB-CG 4.46Å; E103-K105 WeakPolarHBondContact OE2-CE 3.2Å; E103-K105 IonicContact OE2-NZ 4Å; E103-K105 PolarHBondContact OE2-NZ 2.04Å; E103-V148 HydrophobicContact CB-CG2 3.97Å; E103-V148 PolarHBondContact N-O 3.34Å; E103-V148 PolarHBondContact O-N 3.27Å
104A97Very high92.2Very high8 Ų881.2 Ų81.27%0.06643%0.43CS..EExtended strand (participates in β ladder)trans-82.6119.1167.800000109S88 G89S88-A104 PolarHBondContact O-N 2.86Å; G89-A104 WeakPolarHBondContact O-CB 2.81Å
105K97.8Very high92.6Very high90 Ų9078 Ų7839%0.39141%0.413SS..EExtended strand (participates in β ladder)trans-121.8142.1-179.8-66.7-60-173.8-158.40112.5E103 C145 T146 V148E103-K105 HydrophobicContact CB-CG 4.46Å; E103-K105 WeakPolarHBondContact OE2-CE 3.2Å; E103-K105 IonicContact OE2-NZ 4Å; E103-K105 PolarHBondContact OE2-NZ 2.04Å; K105-C145 CarbonylContact O-C 3.51Å; K105-C145 VanDerWaalsContact O-CA 3.23Å; K105-C145 WeakPolarHBondContact O-CA 3.05Å; K105-T146 PolarHBondContact N-O 3.08Å; K105-T146 PolarHBondContact O-N 3.32Å; K105-V148 HydrophobicContact CB-CG2 4.41Å; K105-V148 HydrophobicContact CG-CG2 3.61Å
106P97.9Very high93.4Very high60 Ų6079.6 Ų79.639%0.3940%0.398SS..EExtended strand (participates in β ladder)trans-68.1138.3176.428-34000111.5T142P106-T142 HydrophobicContact CB-CG2 3.42Å; P106-T142 VanDerWaalsContact CB-CG2 3.42Å
107I98.1Very high93.8Very high74 Ų7472.1 Ų72.138%0.37938%0.376SS..EExtended strand (participates in β ladder)trans-91.1118.3170-53174000108.2T142 V143 G144 T146I107-T142 WeakPolarHBondContact O-CA 3.03Å; I107-V143 HydrophobicContact CB-CG2 3.96Å; I107-V143 HydrophobicContact CG2-CG2 3.76Å; I107-V143 PolarHBondContact O-N 3.42Å; I107-G144 PolarHBondContact N-O 3.35Å; I107-T146 HydrophobicContact CD1-CG2 4.43Å; I107-T146 HydrophobicContact CG1-CG2 3.99Å
108K97.8Very high93.7Very high102 Ų10274.6 Ų74.644%0.44338%0.382SS..EExtended strand (participates in β ladder)trans-96.7143.7-178.8-59.2-60.2-171.2171.90111.7E140 I141 T142K108-E140 HydrophobicContact CB-CG 4.04Å; K108-E140 HydrophobicContact CD-CG 4.19Å; K108-E140 WeakPolarHBondContact CD-OE1 3.39Å; K108-E140 HydrophobicContact CG-CG 4.41Å; K108-E140 IonicContact NZ-OE1 3.51Å; K108-I141 CarbonylContact C-O 3.6Å; K108-I141 WeakPolarHBondContact CA-O 3.48Å; K108-T142 HydrophobicContact CD-CG2 4.43Å; K108-T142 PolarHBondContact NZ-OG1 3.16Å
109Y96.8Very high93Very high145 Ų14575.6 Ų75.657%0.56939%0.385SS*.EExtended strand (participates in β ladder)trans-140.9141.2176.2-174-108.9000110.9V111 E140 I141Y109-V111 HydrophobicContact CD1-CG1 3.49Å; Y109-V111 VanDerWaalsContact CD1-CG1 3.49Å; Y109-V111 HydrophobicContact CE1-CG1 3.71Å; Y109-E140 WeakPolarHBondContact O-CA 2.96Å; Y109-I141 PolarHBondContact N-O 2.89Å; Y109-I141 WeakPolarHBondContact O-CG1 3.2Å; Y109-I141 PolarHBondContact O-N 3.36Å
110Q97.2Very high92.1Very high139 Ų13981.2 Ų81.265%0.6541%0.407SS*.EExtended strand (participates in β ladder)trans-93.3115.7176.2-70.4-17618.400110T138 E139Q110-T138 HydrophobicContact CB-CG2 3.78Å; Q110-T138 HydrophobicContact CG-CG2 4.33Å; Q110-E139 WeakPolarHBondContact CA-O 2.95Å
111V93.9Very high91.2Very high30 Ų3082.3 Ų82.318%0.18239%0.391CS..EExtended strand (participates in β ladder)trans-105.6146.5178-660000111.6I80 Y109 V113 T138 E139 I141I80-V111 HydrophobicContact CD1-CG2 4.38Å; Y109-V111 HydrophobicContact CD1-CG1 3.49Å; Y109-V111 VanDerWaalsContact CD1-CG1 3.49Å; Y109-V111 HydrophobicContact CE1-CG1 3.71Å; V111-V113 HydrophobicContact CG2-CG1 4.14Å; V111-T138 CarbonylContact O-C 3.56Å; V111-T138 VanDerWaalsContact O-CA 3.23Å; V111-T138 WeakPolarHBondContact O-CA 3.35Å; V111-T138 WeakPolarHBondContact O-CG2 3.26Å; V111-E139 HydrophobicContact CG2-CB 4.22Å; V111-E139 WeakPolarHBondContact CG2-O 3.17Å; V111-E139 PolarHBondContact N-O 2.78Å; V111-E139 PolarHBondContact O-N 2.82Å; V111-I141 HydrophobicContact CG1-CD1 3.51Å; V111-I141 HydrophobicContact CG1-CG1 3.84Å; V111-I141 HydrophobicContact CG2-CD1 4.42Å; V111-I141 HydrophobicContact CG2-CG1 4.35Å; V111-I141 HydrophobicContact CG2-CG2 3.64Å
112L94Very high89.6Confident121 Ų12184.3 Ų84.363%0.63440%0.399SS*.EExtended strand (participates in β ladder)trans-80.4136.5169.8-66.2176.4000110.6L136 G137L112-L136 HydrophobicContact CB-CD1 4.3Å; L112-L136 HydrophobicContact CD2-CD1 4.27Å; L112-G137 WeakPolarHBondContact CA-O 3.33Å
113V93.3Very high87.9Confident3 Ų384.9 Ų84.92%0.01840%0.402CS..EExtended strand (participates in β ladder)trans-135.3156.6177.9-58.40000110.5R75 L76 I80 V111 Y115 G137 E139R75-V113 HydrophobicContact CG-CB 3.78Å; R75-V113 HydrophobicContact CG-CG1 4.25Å; R75-V113 HydrophobicContact CG-CG2 4.13Å; L76-V113 WeakPolarHBondContact O-CA 3.17Å; I80-V113 HydrophobicContact CD1-CG1 4.05Å; V111-V113 HydrophobicContact CG2-CG1 4.14Å; V113-Y115 HydrophobicContact CG2-CD2 4.15Å; V113-Y115 HydrophobicContact CG2-CE1 4.19Å; V113-Y115 HydrophobicContact CG2-CE2 3.54Å; V113-G137 PolarHBondContact N-O 2.88Å; V113-G137 PolarHBondContact O-N 2.65Å; V113-E139 HydrophobicContact CG1-CB 4.46Å; V113-E139 HydrophobicContact CG1-CG 4.36Å; V113-E139 HydrophobicContact CG2-CG 3.96Å
114L92.5Very high86.1Confident22 Ų2292.5 Ų92.512%0.11543%0.434CS..EExtended strand (participates in β ladder)trans-109.2119.2172.1-62175.2000110.3L39 L41 R75 L76 F134 M135 L136L39-L114 HydrophobicContact CD1-CD1 4.42Å; L39-L114 HydrophobicContact CD1-CD2 4.06Å; L41-L114 HydrophobicContact CD2-CD1 4.11Å; R75-L114 CarbonylContact C-O 3.58Å; R75-L114 VanDerWaalsContact CA-O 3.3Å; R75-L114 WeakPolarHBondContact CA-O 3.29Å; L76-L114 HydrophobicContact CB-CB 4.18Å; L76-L114 HydrophobicContact CD2-CD1 4.17Å; L76-L114 PolarHBondContact N-O 3.46Å; L76-L114 PolarHBondContact O-N 2.86Å; L114-F134 HydrophobicContact CB-CB 4.32Å; L114-F134 HydrophobicContact CB-CD1 3.96Å; L114-F134 HydrophobicContact CB-CG 4.48Å; L114-M135 CarbonylContact C-O 3.55Å; L114-M135 WeakPolarHBondContact CA-O 3.43Å; L114-L136 HydrophobicContact CD2-CB 4.39Å; L114-L136 HydrophobicContact CD2-CD1 3.93Å
115Y93.5Very high84.5Confident73 Ų73101.4 Ų101.429%0.28647%0.471SS..EExtended strand (participates in β ladder)trans-92125.2173.5-64.4-70.6000111.6S74 R75 V113 T117 F134 M135 E139S74-Y115 CarbonylContact O-C 3.53Å; S74-Y115 WeakPolarHBondContact O-CA 3.07Å; R75-Y115 HydrophobicContact CB-CD1 4.1Å; R75-Y115 HydrophobicContact CB-CE1 4.15Å; R75-Y115 HydrophobicContact CG-CD1 4.12Å; R75-Y115 HydrophobicContact CG-CE1 3.9Å; V113-Y115 HydrophobicContact CG2-CD2 4.15Å; V113-Y115 HydrophobicContact CG2-CE1 4.19Å; V113-Y115 HydrophobicContact CG2-CE2 3.54Å; Y115-T117 PolarHBondContact O-N 2.77Å; Y115-F134 CarbonylContact O-C 3.58Å; Y115-F134 VanDerWaalsContact O-CA 3.32Å; Y115-F134 WeakPolarHBondContact O-CA 3.42Å; Y115-M135 PolarHBondContact N-O 3.38Å; Y115-M135 PolarHBondContact O-N 3.19Å; Y115-E139 WeakPolarHBondContact CE1-OE1 3.38Å; Y115-E139 VanDerWaalsContact CZ-OE1 3.32Å; Y115-E139 WeakPolarHBondContact OH-CG 3.43Å; Y115-E139 PolarHBondContact OH-OE1 2.72Å
116R90.8Very high82.6Confident100 Ų100100.5 Ų100.538%0.37749%0.488SS..EExtended strand (participates in β ladder)trans-77117171.3-172.6176.766.5-176.9-0.8109.2S74 Y132 F134S74-R116 PolarHBondContact O-N 2.85Å; R116-Y132 HydrophobicContact CG-CD1 3.59Å; R116-Y132 HydrophobicContact CG-CE1 4.33Å; R116-Y132 HydrophobicContact CG-CG 4.06Å; R116-F134 HydrophobicContact CB-CD1 4.14Å; R116-F134 HydrophobicContact CB-CE1 3.77Å; R116-F134 HydrophobicContact CB-CZ 4.45Å; R116-F134 HydrophobicContact CG-CE1 4.21Å; R116-F134 HydrophobicContact CG-CZ 4.43Å
117T88.3Confident80.7Confident61 Ų61105.8 Ų105.837%0.37450%0.504SS..EExtended strand (participates in β ladder)trans-125.8154.8176.7-175.10000111.9Y115 Y132 I133 M135Y115-T117 PolarHBondContact O-N 2.77Å; T117-Y132 WeakPolarHBondContact O-CA 3.37Å; T117-I133 HydrophobicContact CG2-CD1 3.83Å; T117-I133 HydrophobicContact CG2-CG1 3.37Å; T117-I133 PolarHBondContact N-O 3.38Å; T117-I133 PolarHBondContact O-N 3.09Å; T117-M135 HydrophobicContact CG2-CG 3.62Å
118L85.8Confident78.9Confident84 Ų84110.5 Ų110.544%0.4452%0.522SS..EExtended strand (participates in β ladder)trans-86.3114.2178.3-76171.4000110.3N130 Y132L118-N130 HydrophobicContact CD2-CB 4.17Å; L118-Y132 HydrophobicContact CD2-CD1 3.59Å; L118-Y132 HydrophobicContact CD2-CE1 3.21Å; L118-Y132 HydrophobicContact CD2-CE2 4.32Å; L118-Y132 HydrophobicContact CD2-CG 4.3Å; L118-Y132 HydrophobicContact CG-CD1 4.12Å; L118-Y132 HydrophobicContact CG-CE1 3.72Å
119K78.5Confident77.3Confident110 Ų110111.6 Ų111.648%0.47853%0.529SS..EExtended strand (participates in β ladder)trans-89.6110.2167.1-164.5175.6-169.5165.40109K121 K131 I133K119-K121 PolarHBondContact O-N 3.46Å; K119-K131 WeakPolarHBondContact CB-O 3.09Å; K119-K131 PolarHBondContact N-O 3Å; K119-K131 PolarHBondContact O-N 2.94Å; K119-I133 HydrophobicContact CB-CD1 4.14Å; K119-I133 HydrophobicContact CB-CG1 4.22Å; K119-I133 HydrophobicContact CB-CG2 3.88Å; K119-I133 HydrophobicContact CD-CD1 4.22Å; K119-I133 HydrophobicContact CD-CG2 4.01Å; K119-I133 HydrophobicContact CG-CD1 4.48Å
120K72.8Confident76Confident173 Ų173109.6 Ų109.675%0.75253%0.528SS*.EExtended strand (participates in β ladder)trans-71.6117.1169.4-66.4-179.2-178.2174.20108.3
121K66.4Low75.1Confident128 Ų128110 Ų11056%0.55753%0.528SS*.EExtended strand (participates in β ladder)trans-107.3121.7171.4-159.9179.7-178.5-173.70108.9K119 N123 Q129K119-K121 PolarHBondContact O-N 3.46Å; K121-N123 PolarHBondContact O-N 2.92Å; K121-Q129 PolarHBondContact N-O 2.98Å; K121-Q129 PolarHBondContact O-N 3.18Å
122N58.2Low74.5Confident136 Ų136114.9 Ų114.973%0.72754%0.544SS*.EExtended strand (participates in β ladder)trans-79.5107166.4-67.5-17.8000106.9
123N58.6Low74.1Confident52 Ų52111.5 Ų111.528%0.27853%0.526SS..  trans-75.3145.3168.5-79.9-33.2000109K121 K125 G126 Q129K121-N123 PolarHBondContact O-N 2.92Å; N123-K125 PolarHBondContact O-N 2.65Å; N123-G126 PolarHBondContact O-N 3.3Å; N123-Q129 PolarHBondContact ND2-OE1 3.04Å
124K59.2Low73.9Confident231 Ų231116.2 Ų116.2100%1.00455%0.546SS*.THydrogen-bonded Turntrans-55.2-10.3177-69.1-175.1177-1780114.3
125K63.2Low73.7Confident195 Ų195119.4 Ų119.485%0.84856%0.562SS**THydrogen-bonded Turntrans-102.218.7176.1-64.2-173.1175.8-176.80114.1N123 K127N123-K125 PolarHBondContact O-N 2.65Å; K125-K127 PolarHBondContact O-N 3.08Å
126G57.9Low73.6Confident72 Ų72121.6 Ų121.674%0.74258%0.578SS**SBendtrans73.1-12.5175.200000116.6N123 K128N123-G126 PolarHBondContact O-N 3.3Å; G126-K128 PolarHBondContact O-N 3.21Å
127K59.2Low73.7Confident170 Ų170117.7 Ų117.774%0.73957%0.568SS**  trans-74.4114.7173.6-76.5-175.5176.6179.20111K125 Q129K125-K127 PolarHBondContact O-N 3.08Å; K127-Q129 PolarHBondContact O-N 3.34Å
128K59.5Low74.1Confident174 Ų174118.4 Ų118.476%0.75757%0.573SS**EExtended strand (participates in β ladder)trans-67.9114.5168.2-69.8175.7-178168.20108.4G126G126-K128 PolarHBondContact O-N 3.21Å
129Q63.3Low74.5Confident125 Ų125116.1 Ų116.158%0.58456%0.56SS**EExtended strand (participates in β ladder)trans-107.8118.5173.3-154.8171.114.900108.2K121 N123 K127K121-Q129 PolarHBondContact N-O 2.98Å; K121-Q129 PolarHBondContact O-N 3.18Å; N123-Q129 PolarHBondContact ND2-OE1 3.04Å; K127-Q129 PolarHBondContact O-N 3.34Å
130N70.1Confident75.4Confident103 Ų103116.5 Ų116.555%0.55156%0.563SS**EExtended strand (participates in β ladder)trans-80.3117.7176-71.8-15.9000108.3L118L118-N130 HydrophobicContact CD2-CB 4.17Å
131K79.1Confident76.5Confident146 Ų146109.1 Ų109.164%0.63553%0.532SS*.EExtended strand (participates in β ladder)trans-116.4129.2173.1-174.9174-179.3175.90109.3K119K119-K131 WeakPolarHBondContact CB-O 3.09Å; K119-K131 PolarHBondContact N-O 3Å; K119-K131 PolarHBondContact O-N 2.94Å
132Y81.4Confident78Confident134 Ų134103.3 Ų103.353%0.52551%0.507SS..EExtended strand (participates in β ladder)trans-72.8136.5170.6-67.4-72.5000110.5R116 T117 L118R116-Y132 HydrophobicContact CG-CD1 3.59Å; R116-Y132 HydrophobicContact CG-CE1 4.33Å; R116-Y132 HydrophobicContact CG-CG 4.06Å; T117-Y132 WeakPolarHBondContact O-CA 3.37Å; L118-Y132 HydrophobicContact CD2-CD1 3.59Å; L118-Y132 HydrophobicContact CD2-CE1 3.21Å; L118-Y132 HydrophobicContact CD2-CE2 4.32Å; L118-Y132 HydrophobicContact CD2-CG 4.3Å; L118-Y132 HydrophobicContact CG-CD1 4.12Å; L118-Y132 HydrophobicContact CG-CE1 3.72Å
133I85.5Confident79.7Confident50 Ų5099.6 Ų99.626%0.25649%0.489SS..EExtended strand (participates in β ladder)trans-124.1155167.665.2171.2000108.7T117 K119 M135T117-I133 HydrophobicContact CG2-CD1 3.83Å; T117-I133 HydrophobicContact CG2-CG1 3.37Å; T117-I133 PolarHBondContact N-O 3.38Å; T117-I133 PolarHBondContact O-N 3.09Å; K119-I133 HydrophobicContact CB-CD1 4.14Å; K119-I133 HydrophobicContact CB-CG1 4.22Å; K119-I133 HydrophobicContact CB-CG2 3.88Å; K119-I133 HydrophobicContact CD-CD1 4.22Å; K119-I133 HydrophobicContact CD-CG2 4.01Å; K119-I133 HydrophobicContact CG-CD1 4.48Å; I133-M135 HydrophobicContact CD1-CG 4.48Å; I133-M135 HydrophobicContact CD1-SD 3.92Å
134F88Confident81.5Confident102 Ų10297.2 Ų97.245%0.44748%0.477SS..EExtended strand (participates in β ladder)trans-102133.5171.4-70.7-81000109.8L114 Y115 R116L114-F134 HydrophobicContact CB-CB 4.32Å; L114-F134 HydrophobicContact CB-CD1 3.96Å; L114-F134 HydrophobicContact CB-CG 4.48Å; Y115-F134 CarbonylContact O-C 3.58Å; Y115-F134 VanDerWaalsContact O-CA 3.32Å; Y115-F134 WeakPolarHBondContact O-CA 3.42Å; R116-F134 HydrophobicContact CB-CD1 4.14Å; R116-F134 HydrophobicContact CB-CE1 3.77Å; R116-F134 HydrophobicContact CB-CZ 4.45Å; R116-F134 HydrophobicContact CG-CE1 4.21Å; R116-F134 HydrophobicContact CG-CZ 4.43Å
135M89.8Confident83.3Confident89 Ų8986.4 Ų86.444%0.43843%0.431SS..EExtended strand (participates in β ladder)trans-110.8130.6173.8-63.9-61.5-62.900108.4L114 Y115 T117 I133L114-M135 CarbonylContact C-O 3.55Å; L114-M135 WeakPolarHBondContact CA-O 3.43Å; Y115-M135 PolarHBondContact N-O 3.38Å; Y115-M135 PolarHBondContact O-N 3.19Å; T117-M135 HydrophobicContact CG2-CG 3.62Å; I133-M135 HydrophobicContact CD1-CG 4.48Å; I133-M135 HydrophobicContact CD1-SD 3.92Å
136L91.1Very high85Confident119 Ų11980.1 Ų80.162%0.62341%0.408SS*.EExtended strand (participates in β ladder)trans-68.9133.9171.7-174.265.8000109.2L112 L114L112-L136 HydrophobicContact CB-CD1 4.3Å; L112-L136 HydrophobicContact CD2-CD1 4.27Å; L114-L136 HydrophobicContact CD2-CB 4.39Å; L114-L136 HydrophobicContact CD2-CD1 3.93Å
137G92.4Very high86.8Confident17 Ų1778.5 Ų78.518%0.17539%0.386CS..EExtended strand (participates in β ladder)trans-143178.5174.100000111.2L112 V113L112-G137 WeakPolarHBondContact CA-O 3.33Å; V113-G137 PolarHBondContact N-O 2.88Å; V113-G137 PolarHBondContact O-N 2.65Å
138T95.5Very high88.5Confident77 Ų7772.9 Ų72.947%0.47237%0.365SS..EExtended strand (participates in β ladder)trans-128.6140178.4-51.20000108.7Q110 V111Q110-T138 HydrophobicContact CB-CG2 3.78Å; Q110-T138 HydrophobicContact CG-CG2 4.33Å; V111-T138 CarbonylContact O-C 3.56Å; V111-T138 VanDerWaalsContact O-CA 3.23Å; V111-T138 WeakPolarHBondContact O-CA 3.35Å; V111-T138 WeakPolarHBondContact O-CG2 3.26Å
139E95.6Very high90.2Very high35 Ų3572.3 Ų72.316%0.16436%0.358CS..EExtended strand (participates in β ladder)trans-124.5144.1170-71.7-172.9-177.900110.2R75 Q110 V111 V113 Y115R75-E139 WeakPolarHBondContact CD-OE1 3.37Å; R75-E139 IonicContact CZ-OE2 2.65Å; R75-E139 IonicContact NE-OE1 3.83Å; R75-E139 IonicContact NE-OE2 3.52Å; R75-E139 IonicContact NH1-OE1 3.46Å; R75-E139 PolarHBondContact NH1-OE1 2.71Å; R75-E139 IonicContact NH1-OE2 3.3Å; R75-E139 PolarHBondContact NH1-OE2 2.67Å; Q110-E139 WeakPolarHBondContact CA-O 2.95Å; V111-E139 HydrophobicContact CG2-CB 4.22Å; V111-E139 WeakPolarHBondContact CG2-O 3.17Å; V111-E139 PolarHBondContact N-O 2.78Å; V111-E139 PolarHBondContact O-N 2.82Å; V113-E139 HydrophobicContact CG1-CB 4.46Å; V113-E139 HydrophobicContact CG1-CG 4.36Å; V113-E139 HydrophobicContact CG2-CG 3.96Å; Y115-E139 WeakPolarHBondContact CE1-OE1 3.38Å; Y115-E139 VanDerWaalsContact CZ-OE1 3.32Å; Y115-E139 WeakPolarHBondContact OH-CG 3.43Å; Y115-E139 PolarHBondContact OH-OE1 2.72Å
140E96.8Very high91.5Very high118 Ų11870.4 Ų70.455%0.55136%0.357SS*.EExtended strand (participates in β ladder)trans-84.1128.8167.7-172.3-1769500109.4K108 Y109K108-E140 HydrophobicContact CB-CG 4.04Å; K108-E140 HydrophobicContact CD-CG 4.19Å; K108-E140 WeakPolarHBondContact CD-OE1 3.39Å; K108-E140 HydrophobicContact CG-CG 4.41Å; K108-E140 IonicContact NZ-OE1 3.51Å; Y109-E140 WeakPolarHBondContact O-CA 2.96Å
141I95.9Very high92.5Very high18 Ų1870.2 Ų70.29%0.09236%0.36CS..EExtended strand (participates in β ladder)trans-124.9154.3177.769.1161.8000110.4I80 K108 Y109 V111 V143I80-I141 HydrophobicContact CG2-CB 4.32Å; I80-I141 HydrophobicContact CG2-CD1 4.46Å; I80-I141 HydrophobicContact CG2-CG2 3.64Å; K108-I141 CarbonylContact C-O 3.6Å; K108-I141 WeakPolarHBondContact CA-O 3.48Å; Y109-I141 PolarHBondContact N-O 2.89Å; Y109-I141 WeakPolarHBondContact O-CG1 3.2Å; Y109-I141 PolarHBondContact O-N 3.36Å; V111-I141 HydrophobicContact CG1-CD1 3.51Å; V111-I141 HydrophobicContact CG1-CG1 3.84Å; V111-I141 HydrophobicContact CG2-CD1 4.42Å; V111-I141 HydrophobicContact CG2-CG1 4.35Å; V111-I141 HydrophobicContact CG2-CG2 3.64Å; I141-V143 HydrophobicContact CD1-CG1 3.74Å; I141-V143 HydrophobicContact CG1-CG1 3.95Å
142T96.9Very high92.9Very high7 Ų770 Ų704%0.04337%0.37CS..EExtended strand (participates in β ladder)trans-98.1117.6172.6-41.70000108.1Q82 A83 P106 I107 K108Q82-T142 PolarHBondContact OE1-OG1 2.64Å; Q82-T142 VanDerWaalsContact OE1-OG1 3.1Å; A83-T142 HydrophobicContact CB-CG2 4.02Å; A83-T142 PolarHBondContact N-O 2.92Å; A83-T142 WeakPolarHBondContact O-CB 3.34Å; A83-T142 VanDerWaalsContact O-CG2 3.3Å; A83-T142 WeakPolarHBondContact O-CG2 3.31Å; P106-T142 HydrophobicContact CB-CG2 3.42Å; P106-T142 VanDerWaalsContact CB-CG2 3.42Å; I107-T142 WeakPolarHBondContact O-CA 3.03Å; K108-T142 HydrophobicContact CD-CG2 4.43Å; K108-T142 PolarHBondContact NZ-OG1 3.16Å
143V95.2Very high93Very high58 Ų5868.4 Ų68.435%0.35237%0.37SS..EExtended strand (participates in β ladder)trans-96.2-19.4-174.8-640000113.2Y67 I107 I141Y67-V143 PolarHBondContact OH-O 2.69Å; I107-V143 HydrophobicContact CB-CG2 3.96Å; I107-V143 HydrophobicContact CG2-CG2 3.76Å; I107-V143 PolarHBondContact O-N 3.42Å; I141-V143 HydrophobicContact CD1-CG1 3.74Å; I141-V143 HydrophobicContact CG1-CG1 3.95Å
144G96.3Very high93.1Very high2 Ų271.2 Ų71.22%0.02139%0.391CS..EExtended strand (participates in β ladder)trans179.7-169.3179.100000110.7A83 I107A83-G144 VanDerWaalsContact CB-CA 3.48Å; I107-G144 PolarHBondContact N-O 3.35Å
145C97.4Very high92.6Very high4 Ų475.7 Ų75.73%0.02741%0.414CS..EExtended strand (participates in β ladder)trans-125.7149.1172.4-58.30000110.1S63 W65 C85 K105S63-C145 VanDerWaalsContact OG-C 3.27Å; S63-C145 PolarHBondContact OG-O 3.2Å; S63-C145 VanDerWaalsContact OG-O 3.12Å; W65-C145 HydrophobicContact CB-CB 4.41Å; W65-C145 HydrophobicContact CE3-CB 3.89Å; W65-C145 WeakPolarHBondContact CZ3-O 3.49Å; C85-C145 WeakPolarHBondContact CA-SG 3.27Å; C85-C145 HydrophobicContact CB-CB 4.01Å; C85-C145 WeakPolarHBondContact CB-SG 3.29Å; C85-C145 PolarHBondContact N-SG 3.19Å; C85-C145 VanDerWaalsContact N-SG 3.42Å; C85-C145 WeakPolarHBondContact SG-CB 3.39Å; C85-C145 CovalentContact SG-SG 2.04Å; C85-C145 PolarHBondContact SG-SG 2.91Å; K105-C145 CarbonylContact O-C 3.51Å; K105-C145 VanDerWaalsContact O-CA 3.23Å; K105-C145 WeakPolarHBondContact O-CA 3.05Å
146T97.5Very high91.5Very high62 Ų6284.3 Ų84.338%0.3845%0.453SS..EExtended strand (participates in β ladder)trans-125.5155.7174.6-170.40000110.4S63 K105 I107 V148S63-T146 WeakPolarHBondContact OG-CA 3.24Å; S63-T146 PolarHBondContact OG-N 2.84Å; K105-T146 PolarHBondContact N-O 3.08Å; K105-T146 PolarHBondContact O-N 3.32Å; I107-T146 HydrophobicContact CD1-CG2 4.43Å; I107-T146 HydrophobicContact CG1-CG2 3.99Å; T146-V148 HydrophobicContact CG2-CG1 3.93Å
147C96.2Very high91.5Very high39 Ų3982.6 Ų82.626%0.26444%0.444SS..EExtended strand (participates in β ladder)trans-87.9130.7172.4-168.50000110.1S63 C90S63-C147 PolarHBondContact OG-N 3.15Å; C90-C147 HydrophobicContact CB-CB 3.99Å; C90-C147 WeakPolarHBondContact CB-SG 3.29Å; C90-C147 WeakPolarHBondContact SG-CA 3.26Å; C90-C147 WeakPolarHBondContact SG-CB 3.28Å; C90-C147 CovalentContact SG-SG 2.02Å; C90-C147 PolarHBondContact SG-SG 3.02Å
148V96.1Very high91.5Very high52 Ų5286.1 Ų86.132%0.31546%0.458SS..EExtended strand (participates in β ladder)trans-128.8155.4178.3-55.80000111.2L102 E103 K105 T146L102-V148 WeakPolarHBondContact CA-O 3.39Å; E103-V148 HydrophobicContact CB-CG2 3.97Å; E103-V148 PolarHBondContact N-O 3.34Å; E103-V148 PolarHBondContact O-N 3.27Å; K105-V148 HydrophobicContact CB-CG2 4.41Å; K105-V148 HydrophobicContact CG-CG2 3.61Å; T146-V148 HydrophobicContact CG2-CG1 3.93Å
149R94.8Very high91.3Very high162 Ų16286.6 Ų86.661%0.61146%0.458SS*.  trans-86144.1165.3-69.6177.4175.4146.2-2.7109L102 T151L102-R149 HydrophobicContact CD2-CG 3.68Å; R149-T151 WeakPolarHBondContact CB-O 3.47Å; R149-T151 PolarHBondContact O-N 3.46Å
150P90.2Very high91Very high85 Ų8589.6 Ų89.655%0.55248%0.475SS*.SBendtrans-66.2-18.8175.826.8-34.1000112.4T101T101-P150 WeakPolarHBondContact O-CD 3.47Å
151T90.3Very high90.6Very high99 Ų9987.8 Ų87.861%0.60747%0.47SS*.SBendtrans-115.7140176.955.30000111.5R149R149-T151 WeakPolarHBondContact CB-O 3.47Å; R149-T151 PolarHBondContact O-N 3.46Å
152V88.3Confident90.3Very high142 Ų14292.5 Ų92.586%0.86150%0.495SS*.  trans-75.5129.8174.6179.30000108.8
153I84.2Confident89.8Confident99 Ų9998.6 Ų98.651%0.50853%0.528SS..  trans-106117.7172.3-51.1-168.2000107.8
154P86Confident89.4Confident109 Ų109101.7 Ų101.771%0.70854%0.541SS*.  trans-59.2140.6173.2-20.532.1000110.6
155Q77.8Confident88.8Confident197 Ų197110 Ų11092%0.92159%0.585SS**  trans-87.8123.5169.5-58.9-171.4-66.400107.6
156E67.1Low88Confident270 Ų270119.6 Ų119.6100%1.26264%0.635SS**  trans-79.30171.1-67.3-175.7166.600111.6

Retrieved 156 of 156 residues in 27.7 ms (Link to these results)