A0A087Y519_POEFO Loading...

Ectodysplasin A

AlphaFold DB , UniProt , Accession A0A087Y519, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 369 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
1M33.9Very low34.8Very low248 Ų248140 Ų140100%1.22285%0.85SS**  0128.30-74.9156.6160.500107.2
2A35.3Very low34.8Very low94 Ų94144.7 Ų144.778%0.77785%0.851SS**  cis-165.7130.2-17.300000101.4
3C28.3Very low35.7Very low141 Ų141142.5 Ų142.595%0.95384%0.844SS**  trans-104.1130.4179.6-65.70000110.1
4D34.9Very low35.7Very low150 Ų150143.1 Ų143.180%0.80284%0.841SS**  trans-70.5157.4176.2-75.6-56.4000113.9
5D35.7Very low35.7Very low148 Ų148142.1 Ų142.179%0.79184%0.838SS**  trans68.8118.7143.8-86-32.9000123.5
6A36.1Very low35.6Very low91 Ų91141.5 Ų141.575%0.75284%0.835SS**  50.7127.2124.400000121.4
7S37.2Very low35.6Very low118 Ų118143.6 Ų143.683%0.82584%0.837SS**  trans-53.3165.9179.6-480000116.3
8P43.2Very low35.9Very low122 Ų122142.3 Ų142.379%0.79283%0.834SS**  -149.2169.389.133.9-13000116.9
9A35.5Very low36.1Very low93 Ų93148.2 Ų148.277%0.76984%0.841SS**  trans-7132.3164.200000121.2
10E33.1Very low36.1Very low183 Ų183144.6 Ų144.686%0.85584%0.838SS**  trans-142.1101159.3-67.9-78133.100105.6
11D29.7Very low36.4Very low152 Ų152142 Ų14281%0.81383%0.834SS**  56.8117.793.6-145.514.4000115
12F35.3Very low36.9Very low196 Ų196136.1 Ų136.186%0.8681%0.814SS**  trans-86.5142.7-180-85.3-93.6000110.2
13P46.5Very low37.1Very low117 Ų117137.7 Ų137.776%0.7682%0.818SS**  trans-130.3131.7136.830.1-15.7000112.4
14D35.7Very low38Very low151 Ų151139.6 Ų139.681%0.80782%0.815SS**  trans-51.2140.1159-78.3-48.4000110.3
15T35.2Very low38.4Very low128 Ų128138.6 Ų138.679%0.78582%0.818SS**  157.7137.8112.5-41.90000110.6
16V34.6Very low38.7Very low132 Ų132134.7 Ų134.780%0.881%0.813SS**  trans94.199.5156.4-160.60000118.2
17M35.2Very low39.5Very low177 Ų177140.3 Ų140.387%0.87282%0.821SS**  trans-64.4136.4162.9-66.9-89.5178.700112.8
18P41.2Very low40.3Very low121 Ų121144.1 Ų144.179%0.78682%0.822SS**  trans-92.2127.1156.625.2-13.1000110.8G20P18-G20 PolarHBondContact O-N 3.23Å
19R38.8Very low40.6Very low253 Ų253144.7 Ų144.796%0.95583%0.827SS**  trans-55.9114.7175.5-70.9176.4174.9-164.3-2.2111.1
20G37.4Very low41.4Very low76 Ų76150.7 Ų150.778%0.78483%0.83SS**PPolyproline II helixtrans-71.8128.1168.500000111.5P18P18-G20 PolarHBondContact O-N 3.23Å
21A41.3Very low42.3Very low92 Ų92144.9 Ų144.976%0.7682%0.82SS**PPolyproline II helixtrans-64.2148.2174.100000111.9C23A21-C23 PolarHBondContact O-N 3.38Å
22P44.8Very low43.6Very low123 Ų123148 Ų14880%0.79982%0.82SS**PPolyproline II helixtrans-74.7126.4179.128.9-31.4000110.9M24P22-M24 PolarHBondContact O-N 2.99Å
23C39.8Very low44.6Very low127 Ų127143.2 Ų143.286%0.85881%0.811SS**  trans-69.1108.9170.251.30000110.3A21 C25A21-C23 PolarHBondContact O-N 3.38Å; C23-C25 PolarHBondContact O-N 3.47Å
24M47.4Very low45.3Very low182 Ų182139.3 Ų139.390%0.89779%0.792SS**  trans-77.3107.9166.5-73.2-147.768.100109.7P22P22-M24 PolarHBondContact O-N 2.99Å
25C42.7Very low46.7Very low128 Ų128136.6 Ų136.687%0.86579%0.785SS**  trans-83.1119.2169.7-162.60000109.8C23C23-C25 PolarHBondContact O-N 3.47Å
26G41Very low48.5Very low66 Ų66133.8 Ų133.868%0.6878%0.775SS**  trans-66.6140.1-179.400000113K28G26-K28 PolarHBondContact O-N 3.19Å
27K53.8Low50.7Low210 Ų210131.6 Ų131.691%0.91376%0.762SS**SBendtrans-55.399.2172.9-67170.2177.9174.40111.5
28K53.3Low53Low198 Ų198130.6 Ų130.686%0.86175%0.752SS**  trans-174.972.2149.6-109.2168.6-177.3176.80112.5G26G26-K28 PolarHBondContact O-N 3.19Å
29C49.3Very low55.2Low133 Ų133129.6 Ų129.690%0.89974%0.74SS**  trans-125.174.3161.5-72.30000109.5G31C29-G31 PolarHBondContact O-N 3Å
30R53.3Low57.6Low219 Ų219119.4 Ų119.483%0.82671%0.714SS**  trans-90.676173.2-166.5176.7172.4-162.6-1.7108.8
31G52.7Low60.2Low62 Ų62120.8 Ų120.864%0.63970%0.703SS**  trans-95.978.3172.900000111.4C29 S33C29-G31 PolarHBondContact O-N 3Å; G31-S33 PolarHBondContact O-N 3.3Å
32R56.1Low62.7Low216 Ų216122.7 Ų122.782%0.81569%0.694SS**THydrogen-bonded Turntrans-66.52.3-178-164.4172.3177.2170.51.4114.3
33S57.4Low65Low97 Ų97121.1 Ų121.168%0.67868%0.678SS**THydrogen-bonded Turntrans-105.5-24.9-171.9-1620000115.1G31G31-S33 PolarHBondContact O-N 3.3Å
34G60.2Low67.6Low35 Ų35120.5 Ų120.536%0.36167%0.666SS.*Hα-helixtrans-78.6-43.6-176.600000113.5A36 V37 F38G34-A36 VanDerWaalsContact C-N 3.32Å; G34-A36 PolarHBondContact O-N 2.92Å; G34-V37 PolarHBondContact O-N 3.47Å; G34-F38 WeakPolarHBondContact O-CD2 3.31Å; G34-F38 PolarHBondContact O-N 3.07Å; G34-F38 VanDerWaalsContact O-N 3.07Å
35S65.1Low69.9Low94 Ų94114.4 Ų114.466%0.65764%0.642SS**Hα-helixtrans-62.8-34-174.9177.10000113.6L39S35-L39 VanDerWaalsContact O-CB 3.29Å; S35-L39 WeakPolarHBondContact O-CB 3.15Å; S35-L39 PolarHBondContact O-N 2.98Å
36A72.6Confident72.4Confident68 Ų68113.1 Ų113.156%0.56263%0.625SS**Hα-helixtrans-70.2-35.8177.600000112.5G34 G40G34-A36 VanDerWaalsContact C-N 3.32Å; G34-A36 PolarHBondContact O-N 2.92Å; A36-G40 PolarHBondContact O-N 3.22Å
37V82.4Confident75.1Confident87 Ų87114 Ų11453%0.52762%0.618SS.*Hα-helixtrans-71.5-43.8177.1177.90000110.7G34 L39 G40 L41G34-V37 PolarHBondContact O-N 3.47Å; V37-L39 VanDerWaalsContact C-N 3.35Å; V37-L39 PolarHBondContact O-N 3.17Å; V37-G40 PolarHBondContact O-N 2.95Å; V37-L41 HydrophobicContact CG1-CD1 4.3Å; V37-L41 WeakPolarHBondContact O-CG 3.4Å; V37-L41 PolarHBondContact O-N 3.3Å
38F83.2Confident77.1Confident155 Ų155109.1 Ų109.168%0.6860%0.601SS**Hα-helixtrans-62.5-40.9174.9-77.8-71.3000112.3G34 G40 L41 F42G34-F38 WeakPolarHBondContact O-CD2 3.31Å; G34-F38 PolarHBondContact O-N 3.07Å; G34-F38 VanDerWaalsContact O-N 3.07Å; F38-G40 VanDerWaalsContact C-N 3.34Å; F38-L41 PolarHBondContact O-N 3.38Å; F38-F42 VanDerWaalsContact O-CB 3.31Å; F38-F42 WeakPolarHBondContact O-CB 3.45Å; F38-F42 PolarHBondContact O-N 2.96Å
39L87.4Confident79.1Confident101 Ų101105.3 Ų105.353%0.52959%0.586SS.*Hα-helixtrans-65.3-39175-169.466.6000111.5S35 V37 F42 L43S35-L39 VanDerWaalsContact O-CB 3.29Å; S35-L39 WeakPolarHBondContact O-CB 3.15Å; S35-L39 PolarHBondContact O-N 2.98Å; V37-L39 VanDerWaalsContact C-N 3.35Å; V37-L39 PolarHBondContact O-N 3.17Å; L39-F42 PolarHBondContact O-N 3.48Å; L39-L43 HydrophobicContact CG-CD1 4.26Å; L39-L43 WeakPolarHBondContact O-CB 3.29Å; L39-L43 VanDerWaalsContact O-CG 3.27Å; L39-L43 WeakPolarHBondContact O-CG 3.34Å; L39-L43 PolarHBondContact O-N 2.91Å
40G88.9Confident81.3Confident39 Ų39101.7 Ų101.740%0.40257%0.565SS.*Hα-helixtrans-62.8-46.3175.200000113.3A36 V37 F38 F42 L43 L44A36-G40 PolarHBondContact O-N 3.22Å; V37-G40 PolarHBondContact O-N 2.95Å; F38-G40 VanDerWaalsContact C-N 3.34Å; G40-F42 VanDerWaalsContact C-N 3.34Å; G40-L43 PolarHBondContact O-N 3.44Å; G40-L44 WeakPolarHBondContact O-CB 3.34Å; G40-L44 PolarHBondContact O-N 3.39Å
41L91.5Very high83.4Confident105 Ų10595.3 Ų95.355%0.5555%0.551SS.*Hα-helixtrans-66.3-36.7176.6-68.8174.9000112.2V37 F38 L44 S45V37-L41 HydrophobicContact CG1-CD1 4.3Å; V37-L41 WeakPolarHBondContact O-CG 3.4Å; V37-L41 PolarHBondContact O-N 3.3Å; F38-L41 PolarHBondContact O-N 3.38Å; L41-L44 PolarHBondContact O-N 3.4Å; L41-S45 WeakPolarHBondContact O-CB 3.27Å; L41-S45 PolarHBondContact O-N 3.43Å
42F92.9Very high85.4Confident131 Ų13196 Ų9658%0.57554%0.543SS*.Hα-helixtrans-64.8-45.3175.3-178.2-99.3000111.7F38 L39 G40 S45 L46F38-F42 VanDerWaalsContact O-CB 3.31Å; F38-F42 WeakPolarHBondContact O-CB 3.45Å; F38-F42 PolarHBondContact O-N 2.96Å; L39-F42 PolarHBondContact O-N 3.48Å; G40-F42 VanDerWaalsContact C-N 3.34Å; F42-S45 PolarHBondContact O-N 3.43Å; F42-L46 WeakPolarHBondContact O-CB 3.45Å; F42-L46 PolarHBondContact O-N 3.38Å
43L94.6Very high87.3Confident90 Ų9090.9 Ų90.947%0.47153%0.531SS..Hα-helixtrans-65-41.1176-71171.3000111.7L39 G40 S45 L46 T47L39-L43 HydrophobicContact CG-CD1 4.26Å; L39-L43 WeakPolarHBondContact O-CB 3.29Å; L39-L43 VanDerWaalsContact O-CG 3.27Å; L39-L43 WeakPolarHBondContact O-CG 3.34Å; L39-L43 PolarHBondContact O-N 2.91Å; G40-L43 PolarHBondContact O-N 3.44Å; L43-S45 PolarHBondContact O-N 2.9Å; L43-L46 PolarHBondContact O-N 2.93Å; L43-T47 VanDerWaalsContact O-CG2 3.32Å; L43-T47 WeakPolarHBondContact O-CG2 3.25Å; L43-T47 PolarHBondContact O-N 3.12Å; L43-T47 PolarHBondContact O-OG1 3.24Å
44L94.4Very high89.2Confident114 Ų11490.8 Ų90.860%0.59753%0.526SS*.Hα-helixtrans-60.6-46.4174.7-170.9113.7000111.2G40 L41 L46 T47 L48G40-L44 WeakPolarHBondContact O-CB 3.34Å; G40-L44 PolarHBondContact O-N 3.39Å; L41-L44 PolarHBondContact O-N 3.4Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L44-L46 PolarHBondContact O-N 3.44Å; L44-T47 WeakPolarHBondContact CA-OG1 3.11Å; L44-T47 PolarHBondContact O-N 3.27Å; L44-T47 PolarHBondContact O-OG1 2.87Å; L44-L48 WeakPolarHBondContact O-CB 3.38Å; L44-L48 PolarHBondContact O-N 2.95Å
45S94.8Very high90.8Very high55 Ų5592.9 Ų92.939%0.38553%0.534SS..Hα-helixtrans-59.3-44.7175.2-177.70000111.8L41 F42 L43 T47 L48 H49L41-S45 WeakPolarHBondContact O-CB 3.27Å; L41-S45 PolarHBondContact O-N 3.43Å; F42-S45 PolarHBondContact O-N 3.43Å; L43-S45 PolarHBondContact O-N 2.9Å; S45-T47 PolarHBondContact O-N 3.1Å; S45-L48 PolarHBondContact O-N 2.95Å; S45-H49 PolarHBondContact O-N 2.92Å; S45-H49 PolarHBondContact O-ND1 2.97Å
46L95.9Very high92.3Very high100 Ų10095.3 Ų95.352%0.52453%0.53SS..Hα-helixtrans-63.6-41.9178.2-170.271.2000111.8F42 L43 L44 H49 A50F42-L46 WeakPolarHBondContact O-CB 3.45Å; F42-L46 PolarHBondContact O-N 3.38Å; L43-L46 PolarHBondContact O-N 2.93Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L44-L46 PolarHBondContact O-N 3.44Å; L46-H49 PolarHBondContact O-N 3.48Å; L46-A50 PolarHBondContact O-N 3.2Å
47T96.2Very high93.3Very high85 Ų8596.2 Ų96.252%0.52153%0.525SS..Hα-helixtrans-65.2-39.7176.356.50000112L43 L44 S45 H49 A50 V51L43-T47 VanDerWaalsContact O-CG2 3.32Å; L43-T47 WeakPolarHBondContact O-CG2 3.25Å; L43-T47 PolarHBondContact O-N 3.12Å; L43-T47 PolarHBondContact O-OG1 3.24Å; L44-T47 WeakPolarHBondContact CA-OG1 3.11Å; L44-T47 PolarHBondContact O-N 3.27Å; L44-T47 PolarHBondContact O-OG1 2.87Å; S45-T47 PolarHBondContact O-N 3.1Å; T47-H49 VanDerWaalsContact C-N 3.35Å; T47-H49 PolarHBondContact O-N 3.11Å; T47-A50 PolarHBondContact O-N 3.3Å; T47-V51 WeakPolarHBondContact O-CG2 3.37Å; T47-V51 PolarHBondContact O-N 3.18Å
48L96.2Very high93.8Very high108 Ų10897 Ų9757%0.56553%0.526SS*.Hα-helixtrans-64.3-42.3176.7-17263.9000110.9L44 S45 A50 V51 T52L44-L48 WeakPolarHBondContact O-CB 3.38Å; L44-L48 PolarHBondContact O-N 2.95Å; S45-L48 PolarHBondContact O-N 2.95Å; L48-A50 PolarHBondContact O-N 2.99Å; L48-V51 PolarHBondContact O-N 3.18Å; L48-T52 WeakPolarHBondContact O-CG2 3.37Å; L48-T52 PolarHBondContact O-N 3.49Å; L48-T52 PolarHBondContact O-OG1 2.85Å
49H96.1Very high94.3Very high118 Ų11895 Ų9555%0.54652%0.522SS..Hα-helixtrans-62.6-41.9174.7-7880.4000112.1S45 L46 T47 V51 T52 L53S45-H49 PolarHBondContact O-N 2.92Å; S45-H49 PolarHBondContact O-ND1 2.97Å; L46-H49 PolarHBondContact O-N 3.48Å; T47-H49 VanDerWaalsContact C-N 3.35Å; T47-H49 PolarHBondContact O-N 3.11Å; H49-V51 PolarHBondContact O-N 2.88Å; H49-T52 VanDerWaalsContact CA-OG1 3.3Å; H49-T52 WeakPolarHBondContact CA-OG1 3.47Å; H49-T52 PolarHBondContact O-N 3.43Å; H49-T52 PolarHBondContact O-OG1 3.34Å; H49-L53 WeakPolarHBondContact O-CB 3.46Å; H49-L53 PolarHBondContact O-N 3.21Å
50A95.9Very high94.5Very high56 Ų5697.7 Ų97.746%0.46353%0.525SS..Hα-helixtrans-61.1-44175.600000111.8L46 T47 L48 L53 V54L46-A50 PolarHBondContact O-N 3.2Å; T47-A50 PolarHBondContact O-N 3.3Å; L48-A50 PolarHBondContact O-N 2.99Å; A50-L53 PolarHBondContact O-N 2.67Å; A50-V54 WeakPolarHBondContact O-CG2 3.33Å; A50-V54 PolarHBondContact O-N 2.74Å
51V96.9Very high94.6Very high86 Ų8698.8 Ų98.852%0.52153%0.527SS..Hα-helixtrans-62-46.2175.5172.90000110.9T47 L48 H49 L53 V54 C55T47-V51 WeakPolarHBondContact O-CG2 3.37Å; T47-V51 PolarHBondContact O-N 3.18Å; L48-V51 PolarHBondContact O-N 3.18Å; H49-V51 PolarHBondContact O-N 2.88Å; V51-L53 VanDerWaalsContact C-N 3.28Å; V51-L53 PolarHBondContact O-N 3.16Å; V51-V54 PolarHBondContact O-N 3.23Å; V51-C55 PolarHBondContact O-N 2.97Å; V51-C55 PolarHBondContact O-SG 3.3Å; V51-C55 VanDerWaalsContact O-SG 3.35Å
52T95.3Very high94.6Very high77 Ų7798 Ų9847%0.47252%0.521SS..Hα-helixtrans-61.8-36.6177.656.20000112.6L48 H49 Y56L48-T52 WeakPolarHBondContact O-CG2 3.37Å; L48-T52 PolarHBondContact O-N 3.49Å; L48-T52 PolarHBondContact O-OG1 2.85Å; H49-T52 VanDerWaalsContact CA-OG1 3.3Å; H49-T52 WeakPolarHBondContact CA-OG1 3.47Å; H49-T52 PolarHBondContact O-N 3.43Å; H49-T52 PolarHBondContact O-OG1 3.34Å; T52-Y56 VanDerWaalsContact O-CB 3.3Å; T52-Y56 WeakPolarHBondContact O-CB 3.33Å; T52-Y56 PolarHBondContact O-N 3.13Å
53L95.8Very high94.4Very high107 Ų10795.6 Ų95.656%0.5652%0.516SS*.Hα-helixtrans-68.3-41.4177.4-165.2114000111.3H49 A50 V51 Y56 L57H49-L53 WeakPolarHBondContact O-CB 3.46Å; H49-L53 PolarHBondContact O-N 3.21Å; A50-L53 PolarHBondContact O-N 2.67Å; V51-L53 VanDerWaalsContact C-N 3.28Å; V51-L53 PolarHBondContact O-N 3.16Å; L53-Y56 PolarHBondContact O-N 2.8Å; L53-L57 HydrophobicContact CD2-CD1 3.95Å; L53-L57 HydrophobicContact CG-CD1 4.46Å; L53-L57 WeakPolarHBondContact O-CB 3.38Å; L53-L57 VanDerWaalsContact O-CG 3.26Å; L53-L57 WeakPolarHBondContact O-CG 3.33Å; L53-L57 PolarHBondContact O-N 2.82Å
54V96.5Very high94.1Very high96 Ų9698.6 Ų98.658%0.58253%0.525SS*.Hα-helixtrans-62.5-48.5174.8172.10000110.6A50 V51 Y56 L57 D58A50-V54 WeakPolarHBondContact O-CG2 3.33Å; A50-V54 PolarHBondContact O-N 2.74Å; V51-V54 PolarHBondContact O-N 3.23Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.49Å; V54-L57 PolarHBondContact O-N 3.47Å; V54-D58 WeakPolarHBondContact O-CB 3.42Å; V54-D58 PolarHBondContact O-N 2.87Å
55C94.9Very high93.8Very high79 Ų79100.2 Ų100.253%0.53452%0.524SS..Hα-helixtrans-60-40.2176.6-67.20000112.3V51 D58 L59V51-C55 PolarHBondContact O-N 2.97Å; V51-C55 PolarHBondContact O-SG 3.3Å; V51-C55 VanDerWaalsContact O-SG 3.35Å; C55-D58 PolarHBondContact O-N 3.45Å; C55-L59 WeakPolarHBondContact O-CB 3.41Å; C55-L59 PolarHBondContact O-N 3.36Å
56Y95.3Very high93.3Very high144 Ų144103.1 Ų103.157%0.56553%0.531SS*.Hα-helixtrans-64.4-43.9176.4174.1-99.5000112.3T52 L53 V54 D58 R60T52-Y56 VanDerWaalsContact O-CB 3.3Å; T52-Y56 WeakPolarHBondContact O-CB 3.33Å; T52-Y56 PolarHBondContact O-N 3.13Å; L53-Y56 PolarHBondContact O-N 2.8Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.49Å; Y56-D58 VanDerWaalsContact C-N 3.34Å; Y56-R60 VanDerWaalsContact O-CB 3.23Å; Y56-R60 WeakPolarHBondContact O-CB 3.49Å; Y56-R60 PolarHBondContact O-N 3.29Å
57L93.6Very high92.5Very high87 Ų87103.2 Ų103.246%0.45553%0.531SS..Hα-helixtrans-66.6-37.1178.1-70.3176.6000111.9L53 V54 R60 S61L53-L57 HydrophobicContact CD2-CD1 3.95Å; L53-L57 HydrophobicContact CG-CD1 4.46Å; L53-L57 WeakPolarHBondContact O-CB 3.38Å; L53-L57 VanDerWaalsContact O-CG 3.26Å; L53-L57 WeakPolarHBondContact O-CG 3.33Å; L53-L57 PolarHBondContact O-N 2.82Å; V54-L57 PolarHBondContact O-N 3.47Å; L57-R60 PolarHBondContact O-N 3.38Å; L57-S61 WeakPolarHBondContact O-CB 3.42Å; L57-S61 PolarHBondContact O-N 2.83Å
58D93.8Very high91.5Very high103 Ų103102.6 Ų102.655%0.55153%0.527SS*.Hα-helixtrans-65.4-50.1176.8-160.328.5000111V54 C55 Y56 R60 S61 E62V54-D58 WeakPolarHBondContact O-CB 3.42Å; V54-D58 PolarHBondContact O-N 2.87Å; C55-D58 PolarHBondContact O-N 3.45Å; Y56-D58 VanDerWaalsContact C-N 3.34Å; D58-R60 VanDerWaalsContact C-N 3.29Å; D58-R60 PolarHBondContact O-N 3.27Å; D58-S61 WeakPolarHBondContact O-CA 3.22Å; D58-S61 WeakPolarHBondContact O-CB 3.13Å; D58-S61 PolarHBondContact O-N 2.89Å; D58-S61 PolarHBondContact O-OG 2.87Å; D58-E62 PolarHBondContact O-N 3.5Å
59L92.3Very high90.5Very high114 Ų114102.5 Ų102.560%0.59752%0.524SS*.Hα-helixtrans-58.5-41.6175.4-162.579.5000111.7C55 S61 E62 V63C55-L59 WeakPolarHBondContact O-CB 3.41Å; C55-L59 PolarHBondContact O-N 3.36Å; L59-S61 VanDerWaalsContact C-N 3.32Å; L59-S61 PolarHBondContact O-N 2.93Å; L59-E62 PolarHBondContact O-N 2.73Å; L59-V63 VanDerWaalsContact O-CG2 3.29Å; L59-V63 WeakPolarHBondContact O-CG2 3.35Å; L59-V63 PolarHBondContact O-N 2.88Å
60R92.8Very high89.4Confident157 Ų157103.1 Ų103.159%0.59253%0.527SS*.Hα-helixtrans-64.6-37.5176.1-172.9-178.7-175.8-161.83111.8Y56 L57 D58 K64Y56-R60 VanDerWaalsContact O-CB 3.23Å; Y56-R60 WeakPolarHBondContact O-CB 3.49Å; Y56-R60 PolarHBondContact O-N 3.29Å; L57-R60 PolarHBondContact O-N 3.38Å; D58-R60 VanDerWaalsContact C-N 3.29Å; D58-R60 PolarHBondContact O-N 3.27Å; R60-K64 VanDerWaalsContact O-CB 3.31Å; R60-K64 WeakPolarHBondContact O-CB 3.41Å; R60-K64 PolarHBondContact O-N 3.09Å
61S90.3Very high88.2Confident63 Ų63107.8 Ų107.844%0.44154%0.537SS..Hα-helixtrans-67.1-39.5177.185.70000111.3L57 D58 L59 K64 R65L57-S61 WeakPolarHBondContact O-CB 3.42Å; L57-S61 PolarHBondContact O-N 2.83Å; D58-S61 WeakPolarHBondContact O-CA 3.22Å; D58-S61 WeakPolarHBondContact O-CB 3.13Å; D58-S61 PolarHBondContact O-N 2.89Å; D58-S61 PolarHBondContact O-OG 2.87Å; L59-S61 VanDerWaalsContact C-N 3.32Å; L59-S61 PolarHBondContact O-N 2.93Å; S61-K64 PolarHBondContact O-N 3.38Å; S61-R65 WeakPolarHBondContact O-CB 3.34Å; S61-R65 PolarHBondContact O-N 2.7Å
62E91.3Very high86.8Confident89 Ų89112.4 Ų112.442%0.41655%0.545SS..Hα-helixtrans-69-45.2179.3-167.3140.8-128.500111.6D58 L59 K64 R65 E66D58-E62 PolarHBondContact O-N 3.5Å; L59-E62 PolarHBondContact O-N 2.73Å; E62-K64 VanDerWaalsContact C-N 3.32Å; E62-K64 PolarHBondContact O-N 2.78Å; E62-R65 WeakPolarHBondContact O-CB 3.23Å; E62-R65 PolarHBondContact O-N 2.81Å; E62-R65 VanDerWaalsContact O-N 3.14Å; E62-R65 IonicContact OE1-CZ 2.71Å; E62-R65 IonicContact OE1-NH1 3.64Å; E62-R65 IonicContact OE1-NH2 3.45Å; E62-R65 PolarHBondContact OE1-NH2 2.76Å; E62-E66 PolarHBondContact O-N 3.06Å
63V90.4Very high85.2Confident80 Ų80112.2 Ų112.249%0.48554%0.541SS..Hα-helixtrans-60.9-41173.4171.90000111.5L59 R65 E66 I67L59-V63 VanDerWaalsContact O-CG2 3.29Å; L59-V63 WeakPolarHBondContact O-CG2 3.35Å; L59-V63 PolarHBondContact O-N 2.88Å; V63-R65 VanDerWaalsContact C-N 3.32Å; V63-R65 PolarHBondContact O-N 2.97Å; V63-E66 PolarHBondContact O-N 2.78Å; V63-I67 HydrophobicContact CG1-CD1 3.84Å; V63-I67 HydrophobicContact CG1-CG1 4.47Å; V63-I67 VanDerWaalsContact O-CG1 3.3Å; V63-I67 WeakPolarHBondContact O-CG1 3.37Å; V63-I67 PolarHBondContact O-N 2.84Å
64K88.1Confident83.4Confident152 Ų152110.2 Ų110.266%0.66154%0.536SS*.Hα-helixtrans-65.7-36176.8-170.6177.4-178.8-177.20111.8R60 S61 E62 T68R60-K64 VanDerWaalsContact O-CB 3.31Å; R60-K64 WeakPolarHBondContact O-CB 3.41Å; R60-K64 PolarHBondContact O-N 3.09Å; S61-K64 PolarHBondContact O-N 3.38Å; E62-K64 VanDerWaalsContact C-N 3.32Å; E62-K64 PolarHBondContact O-N 2.78Å; K64-T68 WeakPolarHBondContact O-CB 3.42Å; K64-T68 PolarHBondContact O-N 2.68Å; K64-T68 VanDerWaalsContact O-N 3.13Å; K64-T68 PolarHBondContact O-OG1 3.18Å
65R86.9Confident81.5Confident149 Ų149110.4 Ų110.456%0.56254%0.537SS*.Hα-helixtrans-64-44.7173.9-169.9178.969.2-151.3-3.4110.6S61 E62 V63 T68 H69S61-R65 WeakPolarHBondContact O-CB 3.34Å; S61-R65 PolarHBondContact O-N 2.7Å; E62-R65 WeakPolarHBondContact O-CB 3.23Å; E62-R65 PolarHBondContact O-N 2.81Å; E62-R65 VanDerWaalsContact O-N 3.14Å; E62-R65 IonicContact OE1-CZ 2.71Å; E62-R65 IonicContact OE1-NH1 3.64Å; E62-R65 IonicContact OE1-NH2 3.45Å; E62-R65 PolarHBondContact OE1-NH2 2.76Å; V63-R65 VanDerWaalsContact C-N 3.32Å; V63-R65 PolarHBondContact O-N 2.97Å; R65-T68 PolarHBondContact O-N 2.94Å; R65-H69 PolarHBondContact O-N 3.28Å
66E84.6Confident79.6Confident115 Ų115111.6 Ų111.654%0.53754%0.542SS..Hα-helixtrans-63.5-46.1179.6-153.963.9-161.400112.2E62 V63 T68 H69 Q70E62-E66 PolarHBondContact O-N 3.06Å; V63-E66 PolarHBondContact O-N 2.78Å; E66-T68 VanDerWaalsContact C-N 3.27Å; E66-T68 PolarHBondContact O-N 2.78Å; E66-H69 PolarHBondContact O-N 2.83Å; E66-Q70 WeakPolarHBondContact O-CB 3.32Å; E66-Q70 PolarHBondContact O-N 2.84Å
67I79.8Confident77.4Confident103 Ų103110.1 Ų110.153%0.52855%0.548SS..Hα-helixtrans-61-37.9176-67.2166.9000111.2V63 K71V63-I67 HydrophobicContact CG1-CD1 3.84Å; V63-I67 HydrophobicContact CG1-CG1 4.47Å; V63-I67 VanDerWaalsContact O-CG1 3.3Å; V63-I67 WeakPolarHBondContact O-CG1 3.37Å; V63-I67 PolarHBondContact O-N 2.84Å; I67-K71 WeakPolarHBondContact O-CB 3.42Å; I67-K71 PolarHBondContact O-N 3.07Å
68T75.8Confident75.2Confident71 Ų71114.3 Ų114.344%0.43656%0.564SS.*Hα-helixtrans-71.3-36178.8-51.90000111.5K64 R65 E66 R72K64-T68 WeakPolarHBondContact O-CB 3.42Å; K64-T68 PolarHBondContact O-N 2.68Å; K64-T68 VanDerWaalsContact O-N 3.13Å; K64-T68 PolarHBondContact O-OG1 3.18Å; R65-T68 PolarHBondContact O-N 2.94Å; E66-T68 VanDerWaalsContact C-N 3.27Å; E66-T68 PolarHBondContact O-N 2.78Å; T68-R72 PolarHBondContact O-N 3.32Å; T68-R72 VanDerWaalsContact O-N 3.11Å
69H74.3Confident72.7Confident107 Ų107113.5 Ų113.550%0.49557%0.572SS.*Hα-helixtrans-66.6-47.8174.2-161.6-78.3000110.9R65 E66 K71 R72 D73R65-H69 PolarHBondContact O-N 3.28Å; E66-H69 PolarHBondContact O-N 2.83Å; H69-K71 VanDerWaalsContact C-N 3.27Å; H69-K71 PolarHBondContact O-N 3.07Å; H69-R72 CarbonylContact O-C 3.58Å; H69-R72 WeakPolarHBondContact O-CA 3.33Å; H69-R72 WeakPolarHBondContact O-CB 3.45Å; H69-R72 PolarHBondContact O-N 2.77Å; H69-D73 IonicContact CE1-OD1 2.68Å; H69-D73 PolarHBondContact CE1-OD1 2.81Å; H69-D73 IonicContact CE1-OD2 2.78Å; H69-D73 PolarHBondContact CE1-OD2 3.49Å; H69-D73 IonicContact CG-OD2 3.64Å; H69-D73 IonicContact ND1-OD1 3.18Å; H69-D73 IonicContact ND1-OD2 3.35Å; H69-D73 PolarHBondContact ND1-OD2 2.87Å; H69-D73 PolarHBondContact O-N 3.31Å
70Q72.3Confident70.2Confident130 Ų130111.2 Ų111.261%0.60758%0.576SS**Hα-helixtrans-60.8-36.4178-155.3176.22500112E66 S74E66-Q70 WeakPolarHBondContact O-CB 3.32Å; E66-Q70 PolarHBondContact O-N 2.84Å; Q70-S74 WeakPolarHBondContact O-CB 3.48Å; Q70-S74 PolarHBondContact O-N 3.48Å; Q70-S74 PolarHBondContact O-OG 3.28Å
71K72.1Confident67.8Low155 Ų155109.5 Ų109.567%0.67458%0.583SS**Hα-helixtrans-67.2-34.8172.7-170.5174.1-178.3179.10112.6I67 H69 V75I67-K71 WeakPolarHBondContact O-CB 3.42Å; I67-K71 PolarHBondContact O-N 3.07Å; H69-K71 VanDerWaalsContact C-N 3.27Å; H69-K71 PolarHBondContact O-N 3.07Å; K71-V75 VanDerWaalsContact O-CG2 3.3Å; K71-V75 WeakPolarHBondContact O-CG2 3.31Å; K71-V75 PolarHBondContact O-N 2.94Å
72R66.9Low65.1Low183 Ų183113.9 Ų113.969%0.69160%0.601SS**Hα-helixtrans-69.3-44.8173.5-108.7-174.9-179122.1-0.8111.7T68 H69 S74 V75 V76T68-R72 PolarHBondContact O-N 3.32Å; T68-R72 VanDerWaalsContact O-N 3.11Å; H69-R72 CarbonylContact O-C 3.58Å; H69-R72 WeakPolarHBondContact O-CA 3.33Å; H69-R72 WeakPolarHBondContact O-CB 3.45Å; H69-R72 PolarHBondContact O-N 2.77Å; R72-S74 VanDerWaalsContact C-N 3.32Å; R72-S74 PolarHBondContact O-N 3.12Å; R72-V75 PolarHBondContact O-N 2.93Å; R72-V75 VanDerWaalsContact O-N 3.14Å; R72-V76 WeakPolarHBondContact O-CG2 3.48Å; R72-V76 PolarHBondContact O-N 2.84Å
73D62.5Low62.8Low72 Ų72117.7 Ų117.739%0.38562%0.623SS.*Hα-helixtrans-65.4-37.4178.6-62.4-27.7000111.5H69 V75 V76 T77H69-D73 IonicContact CE1-OD1 2.68Å; H69-D73 PolarHBondContact CE1-OD1 2.81Å; H69-D73 IonicContact CE1-OD2 2.78Å; H69-D73 PolarHBondContact CE1-OD2 3.49Å; H69-D73 IonicContact CG-OD2 3.64Å; H69-D73 IonicContact ND1-OD1 3.18Å; H69-D73 IonicContact ND1-OD2 3.35Å; H69-D73 PolarHBondContact ND1-OD2 2.87Å; H69-D73 PolarHBondContact O-N 3.31Å; D73-V75 VanDerWaalsContact C-N 3.28Å; D73-V75 PolarHBondContact O-N 2.91Å; D73-V76 PolarHBondContact O-N 3.42Å; D73-T77 WeakPolarHBondContact O-CB 3.44Å; D73-T77 PolarHBondContact O-N 2.74Å; D73-T77 PolarHBondContact O-OG1 3.29Å
74S56.3Low60.1Low65 Ų65121 Ų12146%0.45564%0.639SS.*Hα-helixtrans-62.4-34.2174.1-56.20000112.6Q70 R72 H78Q70-S74 WeakPolarHBondContact O-CB 3.48Å; Q70-S74 PolarHBondContact O-N 3.48Å; Q70-S74 PolarHBondContact O-OG 3.28Å; R72-S74 VanDerWaalsContact C-N 3.32Å; R72-S74 PolarHBondContact O-N 3.12Å; S74-H78 PolarHBondContact O-N 3.48Å
75V57.2Low57.5Low101 Ų101120.6 Ų120.661%0.61264%0.644SS**Hα-helixtrans-77-34.7176.5170.20000111.5K71 R72 D73K71-V75 VanDerWaalsContact O-CG2 3.3Å; K71-V75 WeakPolarHBondContact O-CG2 3.31Å; K71-V75 PolarHBondContact O-N 2.94Å; R72-V75 PolarHBondContact O-N 2.93Å; R72-V75 VanDerWaalsContact O-N 3.14Å; D73-V75 VanDerWaalsContact C-N 3.28Å; D73-V75 PolarHBondContact O-N 2.91Å
76V54.2Low56Low104 Ų104118.2 Ų118.263%0.6365%0.648SS**Hα-helixtrans-70.8-34.5175.2174.30000111.5R72 D73 H78 A79R72-V76 WeakPolarHBondContact O-CG2 3.48Å; R72-V76 PolarHBondContact O-N 2.84Å; D73-V76 PolarHBondContact O-N 3.42Å; V76-H78 VanDerWaalsContact C-N 3.3Å; V76-H78 PolarHBondContact O-N 2.91Å; V76-A79 PolarHBondContact O-N 3.31Å
77T49.4Very low53.4Low112 Ų112119.6 Ų119.669%0.68766%0.663SS**Hα-helixtrans-72.2-23.4179-41.60000112.6D73D73-T77 WeakPolarHBondContact O-CB 3.44Å; D73-T77 PolarHBondContact O-N 2.74Å; D73-T77 PolarHBondContact O-OG1 3.29Å
78H48.6Very low51.1Low175 Ų175117.9 Ų117.981%0.8167%0.671SS**THydrogen-bonded Turntrans-87.4-7.3174.5-97.6-72.3000114.7S74 V76S74-H78 PolarHBondContact O-N 3.48Å; V76-H78 VanDerWaalsContact C-N 3.3Å; V76-H78 PolarHBondContact O-N 2.91Å
79A41.4Very low49Very low87 Ų87121.4 Ų121.472%0.71969%0.692SS**THydrogen-bonded Turntrans-984.6177.800000113.6V76V76-A79 PolarHBondContact O-N 3.31Å
80G39.5Very low46.8Very low65 Ų65123.9 Ų123.967%0.6771%0.708SS**SBendtrans-99.45.8-172.100000116.6
81V41.4Very low45.5Very low121 Ų121122.9 Ų122.973%0.73371%0.713SS**  trans-134.794.2176.2-170.40000108.2
82D34.1Very low44.5Very low156 Ų156121.4 Ų121.483%0.83472%0.719SS**  trans179.3104.6141.3-87.4-21.1000108.6
83L42.3Very low42.7Very low168 Ų168116.1 Ų116.188%0.8872%0.722SS**  trans-142.1119.5161.2-91.5174.2000109.3
84D34.6Very low41.3Very low150 Ų150121.5 Ų121.580%0.80275%0.745SS**  trans150.7123.4147.9-78.1-24.7000106.4
85D33.7Very low40.9Very low144 Ų144123.4 Ų123.477%0.7776%0.755SS**  cis-167.4-172.632.3-138.5-3.9000109.7
86P54.1Low39.6Very low99 Ų99129.7 Ų129.764%0.64377%0.768SS**  -132.6-176.8-127.140.6-17.6000117.5
87V31.6Very low38.5Very low143 Ų143130 Ų13087%0.86777%0.769SS**  trans75.8123.1157.8-171.80000120.3
88G30.2Very low37.4Very low67 Ų67131.1 Ų131.169%0.69177%0.772SS**  trans175.276.2159.100000117.5
89V32.5Very low36.5Very low146 Ų146129.4 Ų129.489%0.88577%0.773SS**  trans58.4120.7139.4-169.90000121.5
90L28Very low35.8Very low158 Ų158128.7 Ų128.783%0.82778%0.775SS**  trans-81.6-179.1166.1-92.3164.1000112.5
91P44.9Very low35.3Very low110 Ų110131 Ų13171%0.71478%0.78SS**  cis-143.1-143.9-7.330.2-2.4000112.8
92P50.5Low34.8Very low123 Ų123135.3 Ų135.380%0.79978%0.784SS**  -126.9169.3-64.432.1-14.4000114.8
93G28.9Very low34.5Very low73 Ų73135.7 Ų135.775%0.75378%0.78SS**  trans-177.987.9163.100000116.6
94H34.1Very low33.9Very low185 Ų185131.9 Ų131.986%0.85677%0.767SS**  trans25161.2139.1-83.3-50000124.9
95P47.5Very low33.6Very low104 Ų104133.9 Ų133.968%0.67577%0.772SS**  -120.4-168-125.443.2-30000115.3
96R31.2Very low33.7Very low234 Ų234135.2 Ų135.288%0.88377%0.774SS**  trans108.3148.2164.2-66.3-172171.1165.1-2114.3
97V30.5Very low32.6Very low109 Ų109137.8 Ų137.866%0.66178%0.782SS**  cis-167.4155.30.6132.20000107
98D27Very low32.4Very low137 Ų137141.2 Ų141.273%0.73378%0.779SS**  trans0.6147.2158.3-53.8-48.4000120.4
99T28.8Very low32.4Very low138 Ų138144.9 Ų144.985%0.84778%0.778SS**  168.1154.685.3-39.10000110.1
100G27Very low32.3Very low73 Ų73145.4 Ų145.475%0.75377%0.771SS**  trans-56.8-176179.900000116.1
101S29.2Very low32.5Very low112 Ų112146.6 Ų146.678%0.78377%0.765SS**  cis-170164.836.3174.30000109.9
102R29.7Very low31.6Very low213 Ų213148.4 Ų148.480%0.80476%0.761SS**  trans-29.9143.3165.8-61.9165.5173.3178.3-3.2117.8
103H29Very low30.7Very low164 Ų164148.6 Ų148.676%0.75976%0.755SS**  162111.9116.5-94.3-71.6000108.9
104S29.5Very low30.6Very low87 Ų87155.1 Ų155.161%0.60876%0.758SS**  53.111299.670.30000114.7
105E28.7Very low30.4Very low192 Ų192157.7 Ų157.790%0.89776%0.761SS**  165.3153.3110.2-87.3-176.8173.800111.9
106E35.2Very low29.6Very low173 Ų173155.1 Ų155.181%0.80875%0.753SS**  trans-71.9162.1-176.2-76.6164.7131.900114.3
107D30.4Very low29.7Very low152 Ų152150.5 Ų150.581%0.81375%0.746SS**  trans65.1120.4152-66.1-21.4000120.8
108R27.9Very low29.8Very low215 Ų215151.3 Ų151.381%0.81175%0.746SS**  167.4125.9104.7-173.7169.4171.9173.2-1.7115.1
109E30.7Very low30Very low144 Ų144151.3 Ų151.367%0.67375%0.746SS**  trans42.3129.9146.6-64.8178.1133.400125.5
110E30.9Very low30Very low157 Ų157153.2 Ų153.273%0.73474%0.743SS**  trans33.2149.3131.2-75.2-151.4159.300126
111R31.5Very low30.3Very low184 Ų184158.2 Ų158.269%0.69475%0.747SS**  trans88.9141.6157-86.1159.7-155-108.7-0.7118.4
112F26.3Very low30.1Very low147 Ų147156 Ų15665%0.64574%0.742SS**  cis-162.8129.313.7-103.2-62.3000106.8
113L30.6Very low30Very low128 Ų128152.4 Ų152.467%0.6774%0.743SS**  65.8143.597.5-66.9-171.7000121.5
114Y27.8Very low30Very low209 Ų209153.9 Ų153.982%0.8275%0.748SS**  trans88.4130.7164.9-60.5-76.5000116.9
115R29.1Very low29.9Very low239 Ų239156.8 Ų156.890%0.90276%0.756SS**  cis-170.3155.545.8-164-179.9-152.2159.44.8107.6
116G30.6Very low30Very low50 Ų50151.6 Ų151.652%0.51574%0.742SS.*  cis168.7137.96.800000105.6
117D33.8Very low29.8Very low138 Ų138155.3 Ų155.374%0.73875%0.748SS**  95.1139.8110.2-63.4-11.4000111
118D32.1Very low29.6Very low125 Ų125151.6 Ų151.667%0.66875%0.745SS**  cis-177.4147.24.4-109.3-24.3000110.2
119D32.2Very low29.6Very low137 Ų137151.8 Ų151.873%0.73375%0.746SS**  trans57.3156.1131.8-85.1-4.5000124.2
120F28Very low29.6Very low178 Ų178150.3 Ų150.378%0.78175%0.747SS**  cis-169.4172.62.4-161.4-110.4000111.5
121H32.3Very low29.7Very low179 Ų179153 Ų15383%0.82975%0.751SS**  trans-67.8160176.7-93.3-71.9000117.7
122G24.9Very low29.4Very low66 Ų66155.1 Ų155.168%0.6876%0.759SS**  trans155.1105146.200000121
123T27.6Very low29.6Very low136 Ų136153.2 Ų153.283%0.83477%0.77SS**  trans37.1136.5140.8340000126.6
124K29.2Very low29.5Very low195 Ų195156.7 Ų156.785%0.84878%0.78SS**  trans54.9122.7141.9-82-176175.61770121.1
125D27.8Very low29.5Very low148 Ų148158.6 Ų158.679%0.79179%0.785SS**  145.1147.8109.7-136-22.5000114
126S31Very low29.6Very low84 Ų84152.4 Ų152.459%0.58778%0.779SS**  trans-36.7140.7-177.945.70000121.4
127R30.3Very low30.7Very low251 Ų251155.9 Ų155.995%0.94779%0.792SS**  167.3135.7116.9-91.1174.1-74.2177.8-3114.4
128G27.2Very low30.5Very low73 Ų73154 Ų15475%0.75380%0.796SS**  trans98.897.3138.800000118.5
129R28.2Very low30.4Very low219 Ų219158.3 Ų158.383%0.82680%0.803SS**  78.2104.8102.2-149.7-178.1-177160.60.1112.6
130T30.6Very low30.3Very low114 Ų114158.9 Ų158.970%0.69980%0.801SS**  -173.3131.883.632.10000112.1
131R31.8Very low30.4Very low213 Ų213157.5 Ų157.580%0.80481%0.808SS**  trans46.9139.2130.8-61.1-177.1174.7-168.9-1.4118.8
132R25.7Very low30.5Very low229 Ų229157.7 Ų157.786%0.86481%0.809SS**  cis175.3125.36162.6-174.9-172.8179.63106.4
133A30.9Very low30.8Very low106 Ų106161.5 Ų161.588%0.87682%0.819SS**  trans-16598.3137.900000109.1
134K29.3Very low31.3Very low201 Ų201164.2 Ų164.287%0.87482%0.822SS**  trans-89.4139.6173.8-112.5176.7176.3178.40108.5
135R26.3Very low31.5Very low250 Ų250160.9 Ų160.994%0.94382%0.824SS**  -164.7121.5119.3-107.8177.8-166.7-167.73.6111.2
136S30.8Very low31.7Very low109 Ų109161.9 Ų161.976%0.76283%0.829SS**  trans-133.3-172159.655.40000106.3
137P54.4Low31.8Very low123 Ų123161.3 Ų161.380%0.79984%0.836SS**  -119.9-163.8-107.229.9-6.7000114.1
138A30.2Very low32.1Very low99 Ų99159.1 Ų159.182%0.81883%0.833SS**  trans84144.8172.100000116.1
139R29.6Very low32.6Very low214 Ų214164 Ų16481%0.80884%0.837SS**  cis-169149.235.6-160178.3178.5174.45.1113
140E31.1Very low33.1Very low149 Ų149164.3 Ų164.370%0.69684%0.838SS**  trans19.4137.6152.8-62.7152.2-176.800123.9
141T29.9Very low33.5Very low150 Ų150168.9 Ų168.992%0.9284%0.842SS**  -155.6135.8129.6-5.60000111
142E32.9Very low34.1Very low183 Ų183168 Ų16886%0.85584%0.844SS**  trans-75.1147.3-179.4-61.5172.1151.600112
143T32.8Very low34.9Very low146 Ų146164.6 Ų164.690%0.89684%0.838SS**  trans-164.1118.6143.84.70000109.1
144E37.4Very low35.6Very low192 Ų192170.6 Ų170.690%0.89784%0.838SS**  trans-69.5143.5168.4-68.9179.5132.200110.8
145S34.1Very low36.3Very low126 Ų126169.8 Ų169.888%0.88184%0.835SS**  -175.6149.4123.344.70000113
146N32.3Very low37Very low169 Ų169167.5 Ų167.590%0.90483%0.832SS**  trans-67.9159.6-167.4-163.810.9000115.1
147G31.3Very low37.5Very low71 Ų71166.8 Ų166.873%0.73283%0.832SS**  trans153.2102.4158.600000117.8
148K37.2Very low37.1Very low206 Ų206170.7 Ų170.790%0.89684%0.837SS**  trans-62.5155.2166.7-83.4171.6170.21720113.2
149E38.4Very low37.8Very low176 Ų176175.7 Ų175.782%0.82284%0.84SS**  trans101.5126.1139.2-145.2175.9-132.400119
150R37.3Very low38.5Very low225 Ų225176.7 Ų176.785%0.84984%0.843SS**  trans128.4143.2154.6-74.1168.9176.1-150.6-0.5110.6
151R39.3Very low39.7Very low209 Ų209175.6 Ų175.679%0.78985%0.85SS**  cis-173.7125.6-10.2166.1179.3173.6174.8-0.3103.8E153R151-E153 PolarHBondContact O-N 3.5Å
152K44.6Very low40.9Very low195 Ų195171.5 Ų171.585%0.84884%0.837SS**  trans-9110.6151.5-163.2178.5-167.3175.70114.4
153E42.6Very low42.2Very low158 Ų158168.5 Ų168.574%0.73883%0.833SS**  trans-145.1113.3153.3-111.8-179-149.800111.8R151R151-E153 PolarHBondContact O-N 3.5Å
154R46.8Very low43.8Very low232 Ų232167.6 Ų167.688%0.87583%0.83SS**  trans-68.4124.7166.6-67.3163.592-162.913.2107.7
155K42.2Very low44.8Very low184 Ų184162 Ų16280%0.882%0.823SS**  trans-128.1110.4152.5-81.2-175.9178.81690110.4A157K155-A157 PolarHBondContact O-N 2.92Å; K155-A157 VanDerWaalsContact O-N 3.17Å
156K41.3Very low46Very low202 Ų202163.9 Ų163.988%0.87882%0.822SS**  trans-55.2106.7169-86.3174.6167.51770109.3K158K156-K158 PolarHBondContact O-N 3.37Å
157A41.7Very low47.7Very low93 Ų93161.7 Ų161.777%0.76982%0.817SS**  trans-77.7110.515700000108.1K155 K159K155-A157 PolarHBondContact O-N 2.92Å; K155-A157 VanDerWaalsContact O-N 3.17Å; A157-K159 PolarHBondContact O-N 3.3Å; A157-K159 VanDerWaalsContact O-N 3.16Å
158K45.7Very low49.1Very low206 Ų206161.2 Ų161.290%0.89681%0.813SS**  trans-62111.6167.9-78.7179.2175178.70107.8K156K156-K158 PolarHBondContact O-N 3.37Å
159K45.8Very low50.4Low204 Ų204157.3 Ų157.389%0.88781%0.808SS**PPolyproline II helixtrans-71.5125.4171.3-68.7-174.9177.6-175.90108.5A157A157-K159 PolarHBondContact O-N 3.3Å; A157-K159 VanDerWaalsContact O-N 3.16Å
160R44.9Very low52.1Low234 Ų234154.8 Ų154.888%0.88381%0.808SS**PPolyproline II helixtrans-65.6149.4174.1-64.2-178.2178.7-157.9-0.7109.7
161P56.4Low53.5Low127 Ų127147.1 Ų147.183%0.82580%0.798SS**PPolyproline II helixtrans-52.6146.2171.8-24.233.9000111.5
162G55Low54.8Low63 Ų63143.4 Ų143.465%0.64980%0.801SS**PPolyproline II helixtrans-63.3153.2173.700000111.2
163P58.4Low56.2Low121 Ų121143.4 Ų143.479%0.78680%0.804SS**PPolyproline II helixtrans-59.3146.4177.326-33.1000110.3
164P66.4Low57.3Low127 Ų127138.3 Ų138.383%0.82579%0.794SS**PPolyproline II helixtrans-50.6148.7171.4-25.834.4000111.8
165G58.9Low58.4Low73 Ų73133 Ų13375%0.75379%0.79SS**PPolyproline II helixtrans-57.6150.4173.100000111.5
166L59.5Low59.9Low166 Ų166130.3 Ų130.387%0.86979%0.791SS**PPolyproline II helixtrans-58.6143176.1-66.6171.2000110
167P69.1Low61.3Low123 Ų123124 Ų12480%0.79978%0.783SS**PPolyproline II helixtrans-52.8143.1172-24.834.1000111.3
168G59Low62.6Low62 Ų62127.3 Ų127.364%0.63979%0.786SS**PPolyproline II helixtrans-61.5158.117400000112
169P65.4Low63.9Low123 Ų123123 Ų12380%0.79978%0.779SS**PPolyproline II helixtrans-60.115317627-34.4000111.2
170P73.4Confident65.2Low124 Ų124116.8 Ų116.881%0.80577%0.773SS**PPolyproline II helixtrans-53.4141.6173.1-24.433.9000111.6
171G66.4Low66.3Low63 Ų63113.3 Ų113.365%0.64977%0.77SS**PPolyproline II helixtrans-62.1157.1174.800000112.2
172P68.2Low66.9Low131 Ų131112.8 Ų112.885%0.85177%0.767SS**PPolyproline II helixtrans-60.915117726.9-34.3000111.4
173Q72.9Confident67.4Low196 Ų196113.2 Ų113.292%0.91677%0.771SS**PPolyproline II helixtrans-60136.9174.5-174.1175.13.700110.3
174G66.7Low67.5Low51 Ų51115.4 Ų115.453%0.52677%0.774SS.*PPolyproline II helixtrans-62.9159.4176.800000112.8
175P68.4Low66.9Low121 Ų121115.7 Ų115.779%0.78678%0.776SS**PPolyproline II helixtrans-63.8156179.626.9-34.1000112.2
176P74.3Confident66.7Low126 Ų126115.1 Ų115.182%0.81877%0.771SS**PPolyproline II helixtrans-55.1145.7174.3-24.233.8000112.6
177G70.1Confident66.7Low69 Ų69112.5 Ų112.571%0.71177%0.767SS**PPolyproline II helixtrans-61.9152.1175.700000112.7
178I70.5Confident66.1Low163 Ų163114.4 Ų114.484%0.83677%0.77SS**PPolyproline II helixtrans-66.5138.4179.1-54.6170.5000109.1
179P73.3Confident66Low116 Ų116117.4 Ų117.475%0.75378%0.775SS**PPolyproline II helixtrans-53.4142.6174.1-26.534.8000112.4
180G71.9Confident65.8Low73 Ų73118.5 Ų118.575%0.75378%0.78SS**PPolyproline II helixtrans-58.9148.1176.800000112.2
181I68.1Low65.3Low162 Ų162115 Ų11583%0.83177%0.766SS**PPolyproline II helixtrans-65.9132.7178.3-52.3170000108.4G183I181-G183 PolarHBondContact O-N 2.96Å
182P69.3Low65.4Low116 Ų116118.1 Ų118.175%0.75378%0.775SS**PPolyproline II helixtrans-53.9137.1174.7-26.134.5000111.7
183G64.3Low65.5Low72 Ų72118.8 Ų118.874%0.74278%0.776SS**PPolyproline II helixtrans-60.4147.6177.600000112.3I181I181-G183 PolarHBondContact O-N 2.96Å
184I60.6Low65.3Low166 Ų166111.9 Ų111.985%0.85176%0.758SS**PPolyproline II helixtrans-65.3132.4176.3-44.3169.9000108.2G186I184-G186 PolarHBondContact O-N 2.96Å; I184-G186 VanDerWaalsContact O-N 3.09Å
185P55.5Low65.7Low133 Ų133115.2 Ų115.286%0.86477%0.77SS**  trans-62.4114.2-177.5-21.331.9000111.8
186G54.5Low65.9Low62 Ų62115.5 Ų115.564%0.63977%0.772SS**  trans-144124174.700000110.8I184 N188I184-G186 PolarHBondContact O-N 2.96Å; I184-G186 VanDerWaalsContact O-N 3.09Å; G186-N188 PolarHBondContact O-N 2.81Å
187S58.9Low65.7Low111 Ų111112.4 Ų112.478%0.77676%0.763SS**THydrogen-bonded Turntrans299.4171.5-165.10000117.8V189S187-V189 PolarHBondContact O-N 2.97Å
188N56.3Low65.9Low162 Ų162114.9 Ų114.987%0.86677%0.767SS**THydrogen-bonded Turntrans56.129.5147.2-57.7-13.3000120.9G186G186-N188 PolarHBondContact O-N 2.81Å
189V57.7Low66Low125 Ų125113.2 Ų113.276%0.75877%0.767SS**  trans-139.4113.7159.6-175.60000109.2S187 G191S187-V189 PolarHBondContact O-N 2.97Å; V189-G191 PolarHBondContact O-N 3.28Å; V189-G191 VanDerWaalsContact O-N 3.13Å
190V60.7Low65.7Low147 Ų147110.6 Ų110.689%0.89176%0.761SS**  trans-64.7112.7167.1174.10000106.9
191G63.2Low65.7Low51 Ų51113.2 Ų113.253%0.52676%0.764SS.*PPolyproline II helixtrans-63.8152176.600000111.6V189V189-G191 PolarHBondContact O-N 3.28Å; V189-G191 VanDerWaalsContact O-N 3.13Å
192P67.4Low65.7Low127 Ų127114.4 Ų114.483%0.82577%0.766SS**PPolyproline II helixtrans-58.5146.5176.525.3-33.3000110.9G194P192-G194 PolarHBondContact O-N 2.82Å
193V69.8Low65.5Low145 Ų145111.3 Ų111.388%0.87976%0.755SS**PPolyproline II helixtrans-52.2129.3174.4175.70000109
194G70.6Confident65.9Low52 Ų52113.6 Ų113.654%0.53676%0.757SS.*PPolyproline II helixtrans-59.9150.8178.200000111.7P192P192-G194 PolarHBondContact O-N 2.82Å
195P73.8Confident66.5Low121 Ų121111.8 Ų111.879%0.78676%0.756SS**PPolyproline II helixtrans-60148.6179.225.8-33.7000111.1G197P195-G197 PolarHBondContact O-N 2.79Å
196P73.5Confident66.8Low126 Ų126108.4 Ų108.482%0.81875%0.745SS**PPolyproline II helixtrans-52.6140.4170.8-24.833.8000111.2
197G70Confident67.7Low61 Ų61111.6 Ų111.663%0.62975%0.754SS**PPolyproline II helixtrans-59.9153.4175.200000111.8P195P195-G197 PolarHBondContact O-N 2.79Å
198P72.9Confident68.2Low122 Ų122115.1 Ų115.179%0.79276%0.759SS**PPolyproline II helixtrans-60.4149.8177.226.4-34.1000111.1G200P198-G200 PolarHBondContact O-N 3.24Å
199P72.6Confident68.4Low128 Ų128109.9 Ų109.983%0.83174%0.743SS**PPolyproline II helixtrans-52.5139170.7-24.733.8000111.2
200G66.9Low68.8Low61 Ų61109.9 Ų109.963%0.62975%0.746SS**PPolyproline II helixtrans-59.3152.7174.600000111.7P198P198-G200 PolarHBondContact O-N 3.24Å
201P73.9Confident68.7Low127 Ų127107.1 Ų107.183%0.82574%0.738SS**PPolyproline II helixtrans-59.5146.6177.926.3-34.1000110.8G203P201-G203 PolarHBondContact O-N 2.78Å
202Q67.5Low68Low188 Ų188108.3 Ų108.388%0.87975%0.75SS**PPolyproline II helixtrans-56.5130.8171.6-173.71765.500109.1
203G64.6Low67Low50 Ų50108.7 Ų108.752%0.51575%0.75SS.*PPolyproline II helixtrans-56.7149.9175.100000111.1P201P201-G203 PolarHBondContact O-N 2.78Å
204P73.3Confident65.9Low121 Ų121107.2 Ų107.279%0.78675%0.746SS**PPolyproline II helixtrans-57.5149.1178.325.4-33.9000110.4G206P204-G206 PolarHBondContact O-N 2.93Å
205P72.1Confident64.9Low128 Ų128110.1 Ų110.183%0.83175%0.749SS**PPolyproline II helixtrans-49.3134.3169-25.433.9000109.9
206G63Low63.5Low61 Ų61114.1 Ų114.163%0.62976%0.755SS**PPolyproline II helixtrans-53.5147.7174.600000110.3P204 Q208P204-G206 PolarHBondContact O-N 2.93Å; G206-Q208 PolarHBondContact O-N 3.07Å
207P73Confident62.5Low129 Ų129111.3 Ų111.384%0.83874%0.738SS**PPolyproline II helixtrans-53.3139.2178.823.3-33.1000109.6G209P207-G209 PolarHBondContact O-N 2.84Å; P207-G209 VanDerWaalsContact O-N 3.08Å
208Q69.6Low61.9Low185 Ų185117.7 Ų117.786%0.86475%0.748SS**PPolyproline II helixtrans-53.2123.2172.3-173.8175.29.800107.6G206G206-Q208 PolarHBondContact O-N 3.07Å
209G60.8Low61.2Low52 Ų52121 Ų12154%0.53675%0.75SS.*PPolyproline II helixtrans-51.3144.3173.800000109.2P207 A211P207-G209 PolarHBondContact O-N 2.84Å; P207-G209 VanDerWaalsContact O-N 3.08Å; G209-A211 PolarHBondContact O-N 2.85Å
210P65Low61.1Low126 Ų126118.9 Ų118.982%0.81873%0.728SS**PPolyproline II helixtrans-49135.9-176.520.1-31.9000109.4G212P210-G212 PolarHBondContact O-N 2.88Å
211A58.8Low61.5Low88 Ų88123.8 Ų123.873%0.72774%0.735SS**PPolyproline II helixtrans-48.3119.8173.800000107G209 V213G209-A211 PolarHBondContact O-N 2.85Å; A211-V213 VanDerWaalsContact C-N 3.33Å; A211-V213 PolarHBondContact O-N 3.15Å
212G48.2Very low62Low76 Ų76121.6 Ų121.678%0.78472%0.721SS**  trans-54105.6178.900000106.7P210 S214P210-G212 PolarHBondContact O-N 2.88Å; G212-S214 PolarHBondContact O-N 2.81Å
213V47.8Very low63.2Low136 Ų136112.8 Ų112.882%0.82468%0.68SS**  trans-53.2114.3174.8-1060000103.9A211 D215A211-V213 VanDerWaalsContact C-N 3.33Å; A211-V213 PolarHBondContact O-N 3.15Å; V213-D215 PolarHBondContact O-N 3.09Å
214S46.3Very low64.7Low114 Ų114113 Ų11380%0.79767%0.671SS**  trans-71.561.6168.861.10000106.7G212 K216G212-S214 PolarHBondContact O-N 2.81Å; S214-K216 PolarHBondContact O-N 3.23Å
215D48.4Very low65.9Low112 Ų112107.3 Ų107.360%0.59963%0.634SS**  trans-64.6125.5166.5-168.517.2000104.8V213 S217V213-D215 PolarHBondContact O-N 3.09Å; D215-S217 WeakPolarHBondContact CB-OG 3.4Å; D215-S217 VanDerWaalsContact CG-OG 3.27Å; D215-S217 PolarHBondContact O-N 2.92Å; D215-S217 VanDerWaalsContact OD2-CB 3.29Å; D215-S217 WeakPolarHBondContact OD2-CB 3.28Å; D215-S217 PolarHBondContact OD2-OG 3.28Å
216K45.8Very low67.1Low206 Ų206103.1 Ų103.190%0.89660%0.603SS**  trans-74.624.7172.7-66.1177.3-177.91700109.7S214 K218S214-K216 PolarHBondContact O-N 3.23Å; K216-K218 PolarHBondContact O-N 2.87Å
217S52.3Low68.7Low67 Ų67100.2 Ų100.247%0.46957%0.573SS.*SBendtrans-59.3124.3161.642.70000106.6D215 K219D215-S217 WeakPolarHBondContact CB-OG 3.4Å; D215-S217 VanDerWaalsContact CG-OG 3.27Å; D215-S217 PolarHBondContact O-N 2.92Å; D215-S217 VanDerWaalsContact OD2-CB 3.29Å; D215-S217 WeakPolarHBondContact OD2-CB 3.28Å; D215-S217 PolarHBondContact OD2-OG 3.28Å; S217-K219 PolarHBondContact O-N 3.43Å
218K57.7Low69.9Low195 Ų19595.6 Ų95.685%0.84854%0.541SS*.  trans-43.2121.6168.9-64.5171.1179.9174.50106.2K216 F220K216-K218 PolarHBondContact O-N 2.87Å; K218-F220 PolarHBondContact O-N 2.84Å
219K57.9Low71.1Confident192 Ų19286.9 Ų86.984%0.83550%0.5SS*.  trans-39109.4176.8-80.3-174.5176-171.30107.8S217 Q221S217-K219 PolarHBondContact O-N 3.43Å; K219-Q221 PolarHBondContact O-N 2.92Å
220F70Confident72.6Confident82 Ų8289.2 Ų89.236%0.3650%0.497SS..  trans-61.1113.1-175.9177.6-85.9000106.7K218 P222 R358 L359 G360K218-F220 PolarHBondContact O-N 2.84Å; F220-P222 HydrophobicContact CE1-CB 4.33Å; F220-R358 HydrophobicContact CZ-CG 4.23Å; F220-R358 WeakPolarHBondContact CZ-O 3.39Å; F220-L359 WeakPolarHBondContact CE1-O 3.36Å; F220-L359 WeakPolarHBondContact CZ-O 3.3Å; F220-G360 VanDerWaalsContact CE2-CA 3.49Å
221Q75.9Confident73.6Confident164 Ų16490.1 Ų90.177%0.76649%0.49SS*.PPolyproline II helixtrans-96.2123.4171.5-69.9-168.251.200106.9K219 A223K219-Q221 PolarHBondContact O-N 2.92Å; Q221-A223 PolarHBondContact O-N 2.94Å
222P83.4Confident75Confident82 Ų8288.5 Ų88.553%0.53247%0.472SS..PPolyproline II helixtrans-59.5127.5175.723.9-31.3000108.8F220 V357 R358F220-P222 HydrophobicContact CE1-CB 4.33Å; P222-V357 HydrophobicContact CB-CG1 4.19Å; P222-R358 WeakPolarHBondContact CA-O 3.42Å
223A94Very high77Confident3 Ų388.5 Ų88.53%0.02546%0.457CS..EExtended strand (participates in β ladder)trans-91.7133.3176.100000108.6Q221 N254 V257 F258 V357 R358Q221-A223 PolarHBondContact O-N 2.94Å; A223-N254 HydrophobicContact CB-CB 3.9Å; A223-V257 HydrophobicContact CB-CB 3.64Å; A223-V257 HydrophobicContact CB-CG1 3.96Å; A223-V257 HydrophobicContact CB-CG2 3.33Å; A223-F258 HydrophobicContact CB-CE2 4.03Å; A223-F258 WeakPolarHBondContact O-CE2 3.39Å; A223-V357 CarbonylContact O-C 3.56Å; A223-V357 WeakPolarHBondContact O-CA 3.47Å; A223-R358 HydrophobicContact CB-CB 4.24Å; A223-R358 PolarHBondContact O-N 3.46Å
224V96.4Very high79.2Confident55 Ų5582.2 Ų82.233%0.33342%0.418SS..EExtended strand (participates in β ladder)trans-122.9145.8-175.8-176.20000110.1N254 S356 V357V224-N254 PolarHBondContact O-N 3.13Å; V224-S356 WeakPolarHBondContact CA-O 3.37Å; V224-V357 HydrophobicContact CG1-CG2 4.23Å; V224-V357 HydrophobicContact CG2-CG1 4.1Å; V224-V357 HydrophobicContact CG2-CG2 4.14Å
225V97.5Very high81.4Confident0 Ų081.4 Ų81.40%040%0.402CS..EExtended strand (participates in β ladder)trans-132135.3163.160.50000109.7L227 S252 I253 F258 L267 G355 S356V225-L227 HydrophobicContact CG2-CD1 4.42Å; V225-L227 HydrophobicContact CG2-CD2 3.85Å; V225-L227 HydrophobicContact CG2-CG 3.92Å; V225-S252 CarbonylContact C-O 3.58Å; V225-S252 VanDerWaalsContact CA-O 3.28Å; V225-S252 WeakPolarHBondContact CA-O 3.3Å; V225-I253 HydrophobicContact CB-CG1 4.24Å; V225-I253 HydrophobicContact CG2-CB 3.99Å; V225-I253 HydrophobicContact CG2-CD1 4.01Å; V225-I253 HydrophobicContact CG2-CG1 3.74Å; V225-F258 HydrophobicContact CB-CB 4.25Å; V225-F258 HydrophobicContact CB-CD1 4.4Å; V225-F258 HydrophobicContact CB-CD2 3.8Å; V225-F258 HydrophobicContact CB-CE2 4.2Å; V225-F258 HydrophobicContact CB-CG 3.9Å; V225-F258 HydrophobicContact CG1-CB 4.33Å; V225-F258 HydrophobicContact CG1-CD1 3.65Å; V225-F258 HydrophobicContact CG1-CD2 3.81Å; V225-F258 HydrophobicContact CG1-CE1 3.76Å; V225-F258 HydrophobicContact CG1-CE2 3.93Å; V225-F258 HydrophobicContact CG1-CG 3.66Å; V225-F258 HydrophobicContact CG1-CZ 3.89Å; V225-L267 HydrophobicContact CG1-CD1 4.21Å; V225-L267 HydrophobicContact CG1-CD2 3.66Å; V225-L267 HydrophobicContact CG2-CD1 4.15Å; V225-G355 CarbonylContact O-C 3.56Å; V225-G355 WeakPolarHBondContact O-CA 3.49Å; V225-S356 PolarHBondContact N-O 3.31Å; V225-S356 PolarHBondContact O-N 2.95Å
226H97.5Very high83.5Confident41 Ų4176.2 Ų76.219%0.1937%0.374CS..EExtended strand (participates in β ladder)trans-135117.8172.1-176.980.2000109.1Q228 V251 S252 Y278 F353H226-Q228 WeakPolarHBondContact NE2-CG 3.41Å; H226-Q228 PolarHBondContact NE2-NE2 2.98Å; H226-V251 PolarHBondContact O-N 3.27Å; H226-S252 PolarHBondContact N-O 3.04Å; H226-S252 PolarHBondContact O-N 3.23Å; H226-Y278 AromaticContact ND1-CE2 3.79Å; H226-Y278 AromaticContact ND1-CZ 3.82Å; H226-Y278 PolarHBondContact ND1-OH 3.07Å; H226-F353 AromaticContact CE1-CG 3.91Å
227L97.1Very high85.7Confident0 Ų073 Ų730%036%0.356CS..EExtended strand (participates in β ladder)trans-111.8133.1-175.7-52.2158.9000108V225 W248 K249 M250 M260 L267 F353 L354V225-L227 HydrophobicContact CG2-CD1 4.42Å; V225-L227 HydrophobicContact CG2-CD2 3.85Å; V225-L227 HydrophobicContact CG2-CG 3.92Å; L227-W248 HydrophobicContact CB-CB 4.23Å; L227-W248 HydrophobicContact CB-CD2 4.21Å; L227-W248 HydrophobicContact CB-CE3 3.93Å; L227-W248 HydrophobicContact CB-CG 4.36Å; L227-K249 WeakPolarHBondContact CA-O 3.29Å; L227-M250 HydrophobicContact CD2-CG 3.87Å; L227-M260 HydrophobicContact CD1-CE 3.11Å; L227-M260 HydrophobicContact CD2-CB 4.49Å; L227-M260 HydrophobicContact CD2-CE 3.86Å; L227-M260 HydrophobicContact CD2-CG 4.43Å; L227-M260 HydrophobicContact CG-CE 4.05Å; L227-L267 HydrophobicContact CD1-CD1 4.46Å; L227-L267 HydrophobicContact CD1-CD2 4.29Å; L227-F353 CarbonylContact O-C 3.59Å; L227-F353 WeakPolarHBondContact O-CA 3.31Å; L227-F353 WeakPolarHBondContact O-CB 3.45Å; L227-L354 WeakPolarHBondContact CA-O 3.37Å; L227-L354 HydrophobicContact CB-CB 4.41Å; L227-L354 VanDerWaalsContact CB-O 3.24Å; L227-L354 WeakPolarHBondContact CB-O 3.27Å; L227-L354 HydrophobicContact CD1-CB 4.05Å; L227-L354 HydrophobicContact CD1-CD2 3.92Å; L227-L354 HydrophobicContact CD1-CG 4.01Å; L227-L354 WeakPolarHBondContact CG-O 3.43Å; L227-L354 PolarHBondContact N-O 2.65Å; L227-L354 PolarHBondContact O-N 3.27Å
228Q97.3Very high87.6Confident32 Ų3275.1 Ų75.115%0.1536%0.359CS..EExtended strand (participates in β ladder)trans-116.3152.5-178.8-69.1-173.9-1900110.3H226 K249 V251 N349H226-Q228 WeakPolarHBondContact NE2-CG 3.41Å; H226-Q228 PolarHBondContact NE2-NE2 2.98Å; Q228-K249 HydrophobicContact CB-CB 4.48Å; Q228-K249 PolarHBondContact N-O 3.29Å; Q228-K249 WeakPolarHBondContact O-CB 3.37Å; Q228-K249 PolarHBondContact O-N 3.34Å; Q228-V251 HydrophobicContact CB-CG2 4.15Å; Q228-V251 HydrophobicContact CG-CG2 3.89Å; Q228-N349 HydrophobicContact CB-CB 4.09Å; Q228-N349 WeakPolarHBondContact CG-O 3.42Å
229G95.6Very high89.3Confident1 Ų168.6 Ų68.61%0.0133%0.333CS..  trans-64.9166.2168.800000113.3M347 T352G229-M347 CarbonylContact C-O 3.57Å; G229-M347 WeakPolarHBondContact CA-O 3.38Å; G229-T352 PolarHBondContact N-O 2.86Å
230Q92.6Very high91Very high101 Ų10160.2 Ų60.247%0.47230%0.297SS..  trans-110.638.3-177-76.5-177.575.700114.9T232 N247 W248 K249 M347Q230-T232 PolarHBondContact O-N 2.73Å; Q230-N247 WeakPolarHBondContact CG-O 3.32Å; Q230-N247 PolarHBondContact NE2-O 2.93Å; Q230-W248 PolarHBondContact NE2-O 3.22Å; Q230-K249 HydrophobicContact CG-CB 3.8Å; Q230-M347 PolarHBondContact N-O 3.23Å
231E85.1Confident92Very high145 Ų14559.6 Ų59.668%0.67830%0.303SS*.SBendtrans53.239.2175.6-63.7177.1-163.500113.7M347E231-M347 PolarHBondContact N-O 3.37Å
232T88Confident92.7Very high55 Ų5559.4 Ų59.434%0.33730%0.303SS..  trans-120.7150.8177.644.80000110.5Q230 M347Q230-T232 PolarHBondContact O-N 2.73Å; T232-M347 WeakPolarHBondContact O-CA 3.45Å; T232-M347 WeakPolarHBondContact O-CB 3.38Å; T232-M347 WeakPolarHBondContact O-CG 3.35Å; T232-M347 PolarHBondContact O-N 3.08Å
233T91.4Very high93.3Very high76 Ų7656 Ų5647%0.46628%0.282SS..EExtended strand (participates in β ladder)trans-92.1130.9167.1-550000108.5L344 I345T233-L344 HydrophobicContact CG2-CB 4.39Å; T233-I345 WeakPolarHBondContact CA-O 3.29Å
234I92.6Very high93.4Very high3 Ų356.5 Ų56.52%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-107.9127.9177.2-69.7-176.9000108.8D239 L240 L344 I345 M347I234-D239 HydrophobicContact CG2-CB 4Å; I234-L240 HydrophobicContact CD1-CD2 4.26Å; I234-L240 HydrophobicContact CG2-CD1 3.83Å; I234-L240 HydrophobicContact CG2-CD2 3.63Å; I234-L240 HydrophobicContact CG2-CG 3.64Å; I234-L344 WeakPolarHBondContact O-CA 3.44Å; I234-I345 HydrophobicContact CB-CB 4.4Å; I234-I345 PolarHBondContact N-O 3.42Å; I234-I345 PolarHBondContact O-N 3.11Å; I234-M347 HydrophobicContact CB-CG 4.47Å; I234-M347 HydrophobicContact CD1-CE 4.33Å; I234-M347 HydrophobicContact CD1-CG 3.46Å; I234-M347 VanDerWaalsContact CD1-CG 3.46Å; I234-M347 HydrophobicContact CD1-SD 3.8Å; I234-M347 HydrophobicContact CG1-CG 3.72Å
235Q93Very high93.4Very high97 Ų9753.9 Ų53.945%0.45327%0.269SS..EExtended strand (participates in β ladder)trans-92.8116.7165.5-39.6-164.636.900108.5R237 E238 D239 L344Q235-R237 VanDerWaalsContact C-N 3.34Å; Q235-R237 PolarHBondContact O-N 2.78Å; Q235-E238 HydrophobicContact CB-CB 4.37Å; Q235-E238 WeakPolarHBondContact CB-OE2 3.47Å; Q235-E238 PolarHBondContact O-N 3.27Å; Q235-D239 PolarHBondContact N-OD2 3.12Å; Q235-D239 VanDerWaalsContact O-CB 3.22Å; Q235-D239 WeakPolarHBondContact O-CB 3.06Å; Q235-D239 PolarHBondContact O-N 2.95Å; Q235-L344 HydrophobicContact CB-CD2 3.74Å; Q235-L344 HydrophobicContact CG-CD2 3.53Å
236V92.3Very high93.2Very high3 Ų357.8 Ų57.82%0.01828%0.284CS..Hα-helixtrans-60.2-42.7-167.6170.40000112.5L240 I338 E341 T343 I345V236-L240 HydrophobicContact CB-CD1 4.32Å; V236-L240 HydrophobicContact CG1-CD1 4.2Å; V236-L240 HydrophobicContact CG2-CD1 4.02Å; V236-L240 WeakPolarHBondContact O-CB 3.4Å; V236-L240 PolarHBondContact O-N 3.18Å; V236-I338 HydrophobicContact CG1-CB 4.1Å; V236-I338 HydrophobicContact CG1-CG2 4.42Å; V236-I338 HydrophobicContact CG2-CB 3.85Å; V236-I338 HydrophobicContact CG2-CG1 3.85Å; V236-I338 HydrophobicContact CG2-CG2 3.82Å; V236-E341 WeakPolarHBondContact CB-O 3.14Å; V236-T343 VanDerWaalsContact CG2-O 3.29Å; V236-T343 WeakPolarHBondContact CG2-O 3.34Å; V236-T343 PolarHBondContact N-O 2.94Å; V236-T343 VanDerWaalsContact N-O 3.13Å; V236-I345 HydrophobicContact CG2-CG1 4.07Å
237R92.3Very high93Very high139 Ų13958.7 Ų58.753%0.52529%0.29SS..Hα-helixtrans-67.2-43.9-178.2-177.9-178.8-170.7-163.95.9113.1Q235 E341 Y342Q235-R237 VanDerWaalsContact C-N 3.34Å; Q235-R237 PolarHBondContact O-N 2.78Å; R237-E341 HydrophobicContact CB-CB 4.21Å; R237-E341 WeakPolarHBondContact CB-O 3.45Å; R237-E341 PolarHBondContact N-O 2.84Å; R237-Y342 PolarHBondContact NH1-OH 3.18Å
238E92.5Very high93Very high112 Ų11259 Ų5952%0.52329%0.291SS..Hα-helixtrans-84.9-39.2-173.4-64.169.8-152.700111.6Q235Q235-E238 HydrophobicContact CB-CB 4.37Å; Q235-E238 WeakPolarHBondContact CB-OE2 3.47Å; Q235-E238 PolarHBondContact O-N 3.27Å
239D91.9Very high92.9Very high58 Ų5862.8 Ų62.831%0.3131%0.307SS..Hα-helixtrans-98.4-15.9-169.2-61.2-38.8000113.5I234 Q235 R246I234-D239 HydrophobicContact CG2-CB 4Å; Q235-D239 PolarHBondContact N-OD2 3.12Å; Q235-D239 VanDerWaalsContact O-CB 3.22Å; Q235-D239 WeakPolarHBondContact O-CB 3.06Å; Q235-D239 PolarHBondContact O-N 2.95Å; D239-R246 PolarHBondContact O-NE 3.16Å; D239-R246 VanDerWaalsContact O-NE 3.16Å; D239-R246 PolarHBondContact O-NH1 3.35Å; D239-R246 PolarHBondContact O-NH2 2.91Å
240L93.7Very high92.7Very high15 Ų1567.4 Ų67.48%0.07933%0.329CS..  trans-118.1133.1-173.6-52.3-178.4000113I234 V236 Q242 V244 L245 R246 I338I234-L240 HydrophobicContact CD1-CD2 4.26Å; I234-L240 HydrophobicContact CG2-CD1 3.83Å; I234-L240 HydrophobicContact CG2-CD2 3.63Å; I234-L240 HydrophobicContact CG2-CG 3.64Å; V236-L240 HydrophobicContact CB-CD1 4.32Å; V236-L240 HydrophobicContact CG1-CD1 4.2Å; V236-L240 HydrophobicContact CG2-CD1 4.02Å; V236-L240 WeakPolarHBondContact O-CB 3.4Å; V236-L240 PolarHBondContact O-N 3.18Å; L240-Q242 PolarHBondContact O-N 2.96Å; L240-V244 WeakPolarHBondContact CD2-O 3.32Å; L240-L245 HydrophobicContact CD1-CD2 3.77Å; L240-R246 HydrophobicContact CD2-CG 3.95Å; L240-I338 HydrophobicContact CD1-CG1 4.49Å
241S91.9Very high92.4Very high70 Ų7066.3 Ų66.349%0.4933%0.33SS..G310 helixtrans-77.1119166.754.50000109.6G243 V244S241-G243 PolarHBondContact O-N 2.82Å; S241-V244 PolarHBondContact O-N 3.29Å
242Q91.3Very high92.6Very high160 Ų16062.4 Ų62.475%0.74832%0.318SS*.G310 helixtrans56.828179.6-52.7-175.1-47.700113.9L240 V244 R337L240-Q242 PolarHBondContact O-N 2.96Å; Q242-V244 PolarHBondContact O-N 3.14Å; Q242-R337 PolarHBondContact O-NE 3.4Å
243G94.5Very high92.9Very high9 Ų961.6 Ų61.69%0.09331%0.311CS..G310 helixtrans69.511178.800000115.6S241 R337 I338S241-G243 PolarHBondContact O-N 2.82Å; G243-R337 CarbonylContact O-C 3.54Å; G243-R337 WeakPolarHBondContact O-CA 3.29Å; G243-I338 PolarHBondContact O-N 2.94Å
244V97Very high93.1Very high14 Ų1460.5 Ų60.59%0.08530%0.302CS..BIsolated β-bridgetrans-79.7121.8-177.9-179.50000111.1L240 S241 Q242 T264 I336L240-V244 WeakPolarHBondContact CD2-O 3.32Å; S241-V244 PolarHBondContact O-N 3.29Å; Q242-V244 PolarHBondContact O-N 3.14Å; V244-T264 WeakPolarHBondContact CG1-O 3.4Å; V244-I336 CarbonylContact C-O 3.59Å; V244-I336 WeakPolarHBondContact CA-O 3.42Å
245L96.1Very high93.2Very high0 Ų068.1 Ų68.10%034%0.336CS..  trans-65.6132.3179-72.4-173.7000112.1L240 W248 G265 V281 I336 I338 I345 M347L240-L245 HydrophobicContact CD1-CD2 3.77Å; L245-W248 HydrophobicContact CB-CZ2 3.87Å; L245-W248 HydrophobicContact CD1-CH2 4.35Å; L245-W248 HydrophobicContact CD1-CZ2 4.17Å; L245-W248 PolarHBondContact O-NE1 2.98Å; L245-W248 VanDerWaalsContact O-NE1 3.12Å; L245-G265 WeakPolarHBondContact O-CA 3.42Å; L245-V281 HydrophobicContact CD1-CG1 4.24Å; L245-V281 HydrophobicContact CD1-CG2 3.85Å; L245-I336 HydrophobicContact CB-CB 4.25Å; L245-I336 HydrophobicContact CD1-CB 4.02Å; L245-I336 HydrophobicContact CD1-CD1 4.38Å; L245-I336 HydrophobicContact CD1-CG2 3.64Å; L245-I336 HydrophobicContact CG-CB 4.28Å; L245-I336 HydrophobicContact CG-CG2 4.04Å; L245-I336 PolarHBondContact N-O 3.13Å; L245-I338 HydrophobicContact CD1-CD1 3.98Å; L245-I338 HydrophobicContact CD2-CD1 4.04Å; L245-I338 HydrophobicContact CD2-CG1 3.86Å; L245-I338 HydrophobicContact CG-CD1 3.92Å; L245-I338 HydrophobicContact CG-CG1 4.06Å; L245-I345 HydrophobicContact CD2-CG1 4.34Å; L245-I345 HydrophobicContact CD2-CG2 4.32Å; L245-M347 HydrophobicContact CD2-SD 4.33Å
246R94.4Very high93.2Very high83 Ų8369.7 Ų69.731%0.31335%0.347SS..  trans-125.7-165.7176.665.3-173.6-174.9-165.46111D239 L240 M347D239-R246 PolarHBondContact O-NE 3.16Å; D239-R246 VanDerWaalsContact O-NE 3.16Å; D239-R246 PolarHBondContact O-NH1 3.35Å; D239-R246 PolarHBondContact O-NH2 2.91Å; L240-R246 HydrophobicContact CD2-CG 3.95Å; R246-M347 VanDerWaalsContact O-CE 3.32Å; R246-M347 WeakPolarHBondContact O-CE 3.37Å
247N93.3Very high93.4Very high60 Ų6069.9 Ų69.932%0.32135%0.348SS..  trans65.538.6-178.3-59.1-10.8000114.2Q230Q230-N247 WeakPolarHBondContact CG-O 3.32Å; Q230-N247 PolarHBondContact NE2-O 2.93Å
248W95.9Very high93.7Very high7 Ų763.4 Ų63.43%0.02732%0.324CS..  trans-77.5128.7175.4-62.7112.9000113.2L227 Q230 L245 M260 I336 M347 T352 L354L227-W248 HydrophobicContact CB-CB 4.23Å; L227-W248 HydrophobicContact CB-CD2 4.21Å; L227-W248 HydrophobicContact CB-CE3 3.93Å; L227-W248 HydrophobicContact CB-CG 4.36Å; Q230-W248 PolarHBondContact NE2-O 3.22Å; L245-W248 HydrophobicContact CB-CZ2 3.87Å; L245-W248 HydrophobicContact CD1-CH2 4.35Å; L245-W248 HydrophobicContact CD1-CZ2 4.17Å; L245-W248 PolarHBondContact O-NE1 2.98Å; L245-W248 VanDerWaalsContact O-NE1 3.12Å; W248-M260 HydrophobicContact CB-CE 4.21Å; W248-M260 HydrophobicContact CG-CE 4.06Å; W248-I336 HydrophobicContact CH2-CD1 4Å; W248-I336 HydrophobicContact CZ2-CD1 3.96Å; W248-M347 HydrophobicContact CE3-CE 4.29Å; W248-M347 HydrophobicContact CH2-CE 4.16Å; W248-M347 HydrophobicContact CZ2-CE 4.47Å; W248-M347 HydrophobicContact CZ3-CE 4.05Å; W248-T352 HydrophobicContact CH2-CG2 3.97Å; W248-T352 HydrophobicContact CZ3-CG2 4.15Å; W248-L354 HydrophobicContact CH2-CB 4.03Å; W248-L354 HydrophobicContact CZ2-CB 4.16Å; W248-L354 HydrophobicContact CZ3-CB 4.32Å
249K94.9Very high94Very high110 Ų11065.4 Ų65.448%0.47833%0.326SS..EExtended strand (participates in β ladder)trans-85121.4164.5-172.5178.1-178.31790109.6L227 Q228 Q230 V251L227-K249 WeakPolarHBondContact CA-O 3.29Å; Q228-K249 HydrophobicContact CB-CB 4.48Å; Q228-K249 PolarHBondContact N-O 3.29Å; Q228-K249 WeakPolarHBondContact O-CB 3.37Å; Q228-K249 PolarHBondContact O-N 3.34Å; Q230-K249 HydrophobicContact CG-CB 3.8Å; K249-V251 HydrophobicContact CD-CG2 4.34Å; K249-V251 HydrophobicContact CG-CG2 4.21Å; K249-V251 PolarHBondContact O-N 2.75Å
250M91.9Very high94.2Very high98 Ų9863.4 Ų63.448%0.48332%0.315SS..EExtended strand (participates in β ladder)trans-83.693.6177.2-65.9171.9-78.400110L227 I253 M260L227-M250 HydrophobicContact CD2-CG 3.87Å; M250-I253 HydrophobicContact CB-CG2 4.41Å; M250-I253 HydrophobicContact SD-CD1 4.49Å; M250-M260 HydrophobicContact CG-CB 4.24Å; M250-M260 HydrophobicContact CG-CG 4.24Å; M250-M260 HydrophobicContact SD-CB 3.83Å; M250-M260 HydrophobicContact SD-CG 4.12Å
251V86.4Confident94.3Very high79 Ų7965.4 Ų65.448%0.47933%0.327SS..EExtended strand (participates in β ladder)trans-81.9-46.3-180179.50000111.3H226 Q228 K249H226-V251 PolarHBondContact O-N 3.27Å; Q228-V251 HydrophobicContact CB-CG2 4.15Å; Q228-V251 HydrophobicContact CG-CG2 3.89Å; K249-V251 HydrophobicContact CD-CG2 4.34Å; K249-V251 HydrophobicContact CG-CG2 4.21Å; K249-V251 PolarHBondContact O-N 2.75Å
252S88.8Confident94.3Very high62 Ų6265.7 Ų65.743%0.43433%0.327SS..EExtended strand (participates in β ladder)trans-137.5121.7176.3-178.70000108.4V225 H226V225-S252 CarbonylContact C-O 3.58Å; V225-S252 VanDerWaalsContact CA-O 3.28Å; V225-S252 WeakPolarHBondContact CA-O 3.3Å; H226-S252 PolarHBondContact N-O 3.04Å; H226-S252 PolarHBondContact O-N 3.23Å
253I94.3Very high94.3Very high38 Ų3868.4 Ų68.420%0.19533%0.33CS..EExtended strand (participates in β ladder)trans-144.6120.1176.9-171.4167.4000110.5V225 M250 K255 F258 M260V225-I253 HydrophobicContact CB-CG1 4.24Å; V225-I253 HydrophobicContact CG2-CB 3.99Å; V225-I253 HydrophobicContact CG2-CD1 4.01Å; V225-I253 HydrophobicContact CG2-CG1 3.74Å; M250-I253 HydrophobicContact CB-CG2 4.41Å; M250-I253 HydrophobicContact SD-CD1 4.49Å; I253-K255 HydrophobicContact CG2-CG 4.29Å; I253-K255 PolarHBondContact O-N 2.85Å; I253-F258 HydrophobicContact CD1-CB 4.07Å; I253-F258 HydrophobicContact CG1-CB 3.89Å; I253-M260 HydrophobicContact CD1-CB 4.23Å
254N95.6Very high94.3Very high53 Ų5370.3 Ų70.328%0.28334%0.34SS..  trans-76.6104.4165.6-174.3-42.6000109.5A223 V224 D256 V257 F258A223-N254 HydrophobicContact CB-CB 3.9Å; V224-N254 PolarHBondContact O-N 3.13Å; N254-D256 PolarHBondContact O-N 2.81Å; N254-D256 WeakPolarHBondContact OD1-CB 3.41Å; N254-D256 PolarHBondContact OD1-N 2.9Å; N254-D256 VanDerWaalsContact OD1-N 3.09Å; N254-V257 PolarHBondContact O-N 2.82Å; N254-F258 HydrophobicContact CB-CD2 4.39Å; N254-F258 PolarHBondContact O-N 2.87Å
255K94.8Very high94.3Very high164 Ų16469.6 Ų69.671%0.71334%0.336SS*.THydrogen-bonded Turntrans-69.9-15.5-174-63.1-177.5-178.6177.90114.5I253 V257 L270I253-K255 HydrophobicContact CG2-CG 4.29Å; I253-K255 PolarHBondContact O-N 2.85Å; K255-V257 VanDerWaalsContact C-N 3.31Å; K255-L270 WeakPolarHBondContact O-CD1 3.31Å
256D94.3Very high94.3Very high130 Ų13071.5 Ų71.570%0.69535%0.345SS*.THydrogen-bonded Turntrans-78.3-21.8177.1-59.9-31.2000111.6N254N254-D256 PolarHBondContact O-N 2.81Å; N254-D256 WeakPolarHBondContact OD1-CB 3.41Å; N254-D256 PolarHBondContact OD1-N 2.9Å; N254-D256 VanDerWaalsContact OD1-N 3.09Å
257V96.5Very high94.5Very high7 Ų767.6 Ų67.64%0.04233%0.33CS..THydrogen-bonded Turntrans-116.5-27.8-175.3-176.40000112.6A223 N254 K255 V269 L270 L271 Y275 R358A223-V257 HydrophobicContact CB-CB 3.64Å; A223-V257 HydrophobicContact CB-CG1 3.96Å; A223-V257 HydrophobicContact CB-CG2 3.33Å; N254-V257 PolarHBondContact O-N 2.82Å; K255-V257 VanDerWaalsContact C-N 3.31Å; V257-V269 CarbonylContact O-C 3.5Å; V257-V269 WeakPolarHBondContact O-CA 3.2Å; V257-L270 PolarHBondContact O-N 2.88Å; V257-L271 HydrophobicContact CG2-CD1 3.83Å; V257-Y275 HydrophobicContact CG1-CE1 3.99Å; V257-Y275 WeakPolarHBondContact CG1-OH 3.19Å; V257-R358 HydrophobicContact CG1-CB 4.01Å; V257-R358 HydrophobicContact CG1-CG 4.38Å
258F98Very high94.8Very high2 Ų265.8 Ų65.81%0.00932%0.321CS..EExtended strand (participates in β ladder)trans-129.1141.1-174.3-59.9-75.3000111.7A223 V225 I253 N254 L267 V268 V269 Y275A223-F258 HydrophobicContact CB-CE2 4.03Å; A223-F258 WeakPolarHBondContact O-CE2 3.39Å; V225-F258 HydrophobicContact CB-CB 4.25Å; V225-F258 HydrophobicContact CB-CD1 4.4Å; V225-F258 HydrophobicContact CB-CD2 3.8Å; V225-F258 HydrophobicContact CB-CE2 4.2Å; V225-F258 HydrophobicContact CB-CG 3.9Å; V225-F258 HydrophobicContact CG1-CB 4.33Å; V225-F258 HydrophobicContact CG1-CD1 3.65Å; V225-F258 HydrophobicContact CG1-CD2 3.81Å; V225-F258 HydrophobicContact CG1-CE1 3.76Å; V225-F258 HydrophobicContact CG1-CE2 3.93Å; V225-F258 HydrophobicContact CG1-CG 3.66Å; V225-F258 HydrophobicContact CG1-CZ 3.89Å; I253-F258 HydrophobicContact CD1-CB 4.07Å; I253-F258 HydrophobicContact CG1-CB 3.89Å; N254-F258 HydrophobicContact CB-CD2 4.39Å; N254-F258 PolarHBondContact O-N 2.87Å; F258-L267 HydrophobicContact CB-CD1 4Å; F258-L267 HydrophobicContact CD1-CD1 4.23Å; F258-L267 HydrophobicContact CD1-CD2 4.35Å; F258-L267 HydrophobicContact CD1-CG 4.37Å; F258-L267 HydrophobicContact CG-CD1 4.48Å; F258-V268 WeakPolarHBondContact CA-O 3.35Å; F258-V269 HydrophobicContact CD1-CG1 4.14Å; F258-V269 HydrophobicContact CE1-CG1 4.04Å; F258-Y275 AromaticContact CE1-CD1 3.85Å; F258-Y275 HydrophobicContact CE1-CD1 3.85Å; F258-Y275 AromaticContact CE1-CE1 3.54Å; F258-Y275 HydrophobicContact CE1-CE1 3.54Å; F258-Y275 AromaticContact CZ-CD1 3.98Å; F258-Y275 HydrophobicContact CZ-CD1 3.98Å; F258-Y275 AromaticContact CZ-CE1 3.69Å; F258-Y275 HydrophobicContact CZ-CE1 3.69Å
259R97.6Very high94.9Very high154 Ų15465.4 Ų65.458%0.58132%0.32SS*.EExtended strand (participates in β ladder)trans-133.3117.5171.6-178-169.5-60.2153.21.7109.5V268 L270R259-V268 HydrophobicContact CB-CB 4.33Å; R259-V268 PolarHBondContact N-O 2.93Å; R259-V268 PolarHBondContact O-N 3.37Å; R259-L270 HydrophobicContact CB-CD1 4.35Å; R259-L270 HydrophobicContact CB-CD2 4.1Å; R259-L270 HydrophobicContact CB-CG 4.42Å
260M96.8Very high95Very high16 Ų1661.9 Ų61.98%0.07931%0.306CS..EExtended strand (participates in β ladder)trans-89.3131.5174.7169.852.174.700110.7L227 W248 M250 I253 P262 L267L227-M260 HydrophobicContact CD1-CE 3.11Å; L227-M260 HydrophobicContact CD2-CB 4.49Å; L227-M260 HydrophobicContact CD2-CE 3.86Å; L227-M260 HydrophobicContact CD2-CG 4.43Å; L227-M260 HydrophobicContact CG-CE 4.05Å; W248-M260 HydrophobicContact CB-CE 4.21Å; W248-M260 HydrophobicContact CG-CE 4.06Å; M250-M260 HydrophobicContact CG-CB 4.24Å; M250-M260 HydrophobicContact CG-CG 4.24Å; M250-M260 HydrophobicContact SD-CB 3.83Å; M250-M260 HydrophobicContact SD-CG 4.12Å; I253-M260 HydrophobicContact CD1-CB 4.23Å; M260-P262 WeakPolarHBondContact O-CD 3.44Å; M260-L267 HydrophobicContact CB-CD1 4.49Å; M260-L267 HydrophobicContact CE-CB 3.98Å; M260-L267 HydrophobicContact CE-CD1 4.44Å
261N96Very high95.2Very high58 Ų5860.5 Ų60.531%0.3130%0.3SS..EExtended strand (participates in β ladder)trans-96105.3166.9-175.5-14.1000110R263 T264 G265 E266N261-R263 PolarHBondContact O-N 2.88Å; N261-R263 PolarHBondContact OD1-N 2.84Å; N261-R263 VanDerWaalsContact OD1-N 3.11Å; N261-T264 WeakPolarHBondContact CB-OG1 3.29Å; N261-T264 WeakPolarHBondContact ND2-CG2 3.46Å; N261-T264 PolarHBondContact ND2-OG1 2.92Å; N261-T264 VanDerWaalsContact ND2-OG1 3.12Å; N261-T264 PolarHBondContact O-N 2.98Å; N261-T264 PolarHBondContact OD1-N 2.9Å; N261-G265 WeakPolarHBondContact O-CA 3.39Å; N261-G265 PolarHBondContact O-N 2.99Å; N261-E266 PolarHBondContact N-O 2.03Å
262P92.4Very high95.6Very high76 Ų7660.8 Ų60.849%0.49430%0.299SS..THydrogen-bonded Turntrans-67.7-22-174.727.8-35.2000113.5M260M260-P262 WeakPolarHBondContact O-CD 3.44Å
263R91.8Very high95.9Very high216 Ų21657.8 Ų57.882%0.81528%0.278SS*.THydrogen-bonded Turntrans-80.3-41.1-179.4-60.1-173.3-163.9-157.33.6112N261N261-R263 PolarHBondContact O-N 2.88Å; N261-R263 PolarHBondContact OD1-N 2.84Å; N261-R263 VanDerWaalsContact OD1-N 3.11Å
264T94.5Very high96Very high49 Ų4957.4 Ų57.430%0.30128%0.277SS..THydrogen-bonded Turntrans-92.4-18.9-178.364.10000113.1V244 N261 E266V244-T264 WeakPolarHBondContact CG1-O 3.4Å; N261-T264 WeakPolarHBondContact CB-OG1 3.29Å; N261-T264 WeakPolarHBondContact ND2-CG2 3.46Å; N261-T264 PolarHBondContact ND2-OG1 2.92Å; N261-T264 VanDerWaalsContact ND2-OG1 3.12Å; N261-T264 PolarHBondContact O-N 2.98Å; N261-T264 PolarHBondContact OD1-N 2.9Å; T264-E266 PolarHBondContact O-N 3.47Å; T264-E266 WeakPolarHBondContact OG1-CB 3.45Å; T264-E266 WeakPolarHBondContact OG1-CG 3.48Å; T264-E266 PolarHBondContact OG1-N 3.11Å; T264-E266 PolarHBondContact OG1-OE2 3.37Å
265G95.6Very high96.2Very high0 Ų054.9 Ų54.90%026%0.264CS..THydrogen-bonded Turntrans77.97.4-174.100000114L245 N261L245-G265 WeakPolarHBondContact O-CA 3.42Å; N261-G265 WeakPolarHBondContact O-CA 3.39Å; N261-G265 PolarHBondContact O-N 2.99Å
266E97.5Very high96.3Very high40 Ų4050.2 Ų50.219%0.18724%0.244CC..EExtended strand (participates in β ladder)trans-88129.6-177.2-61.5171.712700111.8N261 T264 K333N261-E266 PolarHBondContact N-O 2.03Å; T264-E266 PolarHBondContact O-N 3.47Å; T264-E266 WeakPolarHBondContact OG1-CB 3.45Å; T264-E266 WeakPolarHBondContact OG1-CG 3.48Å; T264-E266 PolarHBondContact OG1-N 3.11Å; T264-E266 PolarHBondContact OG1-OE2 3.37Å; E266-K333 HydrophobicContact CB-CB 4.41Å; E266-K333 HydrophobicContact CB-CD 4.21Å; E266-K333 VanDerWaalsContact CD-NZ 3.3Å; E266-K333 HydrophobicContact CG-CD 4.23Å; E266-K333 WeakPolarHBondContact OE1-CD 3.41Å; E266-K333 IonicContact OE1-NZ 2.97Å; E266-K333 PolarHBondContact OE1-NZ 2.99Å; E266-K333 IonicContact OE2-NZ 2.92Å; E266-K333 PolarHBondContact OE2-NZ 3.29Å
267L98.2Very high96.5Very high0 Ų044 Ų440%021%0.211CC..EExtended strand (participates in β ladder)trans-95.4108.7170.8175.967.4000109.7V225 L227 F258 M260 K333 I334V225-L267 HydrophobicContact CG1-CD1 4.21Å; V225-L267 HydrophobicContact CG1-CD2 3.66Å; V225-L267 HydrophobicContact CG2-CD1 4.15Å; L227-L267 HydrophobicContact CD1-CD1 4.46Å; L227-L267 HydrophobicContact CD1-CD2 4.29Å; F258-L267 HydrophobicContact CB-CD1 4Å; F258-L267 HydrophobicContact CD1-CD1 4.23Å; F258-L267 HydrophobicContact CD1-CD2 4.35Å; F258-L267 HydrophobicContact CD1-CG 4.37Å; F258-L267 HydrophobicContact CG-CD1 4.48Å; M260-L267 HydrophobicContact CB-CD1 4.49Å; M260-L267 HydrophobicContact CE-CB 3.98Å; M260-L267 HydrophobicContact CE-CD1 4.44Å; L267-K333 CarbonylContact O-C 3.44Å; L267-K333 WeakPolarHBondContact O-CA 3.44Å; L267-I334 HydrophobicContact CB-CB 4.29Å; L267-I334 HydrophobicContact CD2-CD1 4.24Å; L267-I334 PolarHBondContact N-O 3.47Å; L267-I334 PolarHBondContact O-N 2.94Å
268V98.4Very high96.6Very high22 Ų2245.3 Ų45.313%0.13322%0.215CC..EExtended strand (participates in β ladder)trans-88.2130.4179.3-170.40000110.2F258 R259 L270 Q332 K333F258-V268 WeakPolarHBondContact CA-O 3.35Å; R259-V268 HydrophobicContact CB-CB 4.33Å; R259-V268 PolarHBondContact N-O 2.93Å; R259-V268 PolarHBondContact O-N 3.37Å; V268-L270 HydrophobicContact CG1-CD2 4.37Å; V268-Q332 WeakPolarHBondContact CA-O 3.17Å; V268-K333 HydrophobicContact CG2-CG 4.24Å
269V97.9Very high96.7Very high0 Ų045.2 Ų45.20%021%0.214CC..EExtended strand (participates in β ladder)trans-86.5136.3168.6-61.20000110.4V257 F258 Y275 L328 R329 G331 Q332 I334V257-V269 CarbonylContact O-C 3.5Å; V257-V269 WeakPolarHBondContact O-CA 3.2Å; F258-V269 HydrophobicContact CD1-CG1 4.14Å; F258-V269 HydrophobicContact CE1-CG1 4.04Å; V269-Y275 HydrophobicContact CB-CE1 4.16Å; V269-Y275 HydrophobicContact CB-CE2 4.48Å; V269-Y275 HydrophobicContact CG1-CD1 4.07Å; V269-Y275 HydrophobicContact CG1-CE1 3.63Å; V269-Y275 HydrophobicContact CG1-CE2 4.44Å; V269-L328 HydrophobicContact CG1-CD1 3.85Å; V269-L328 HydrophobicContact CG2-CB 3.9Å; V269-L328 HydrophobicContact CG2-CD1 4.21Å; V269-R329 VanDerWaalsContact CG2-O 3.23Å; V269-R329 WeakPolarHBondContact CG2-O 3.49Å; V269-G331 PolarHBondContact O-N 2.69Å; V269-Q332 HydrophobicContact CG2-CB 4.14Å; V269-Q332 WeakPolarHBondContact CG2-O 3.41Å; V269-Q332 PolarHBondContact N-O 2.89Å; V269-I334 HydrophobicContact CG1-CD1 4.12Å
270L97.5Very high96.7Very high35 Ų3539.4 Ų39.418%0.18319%0.194CC..  trans-101.6-12.6-173.8-57.7-178.1000113.3K255 V257 R259 V268 S330K255-L270 WeakPolarHBondContact O-CD1 3.31Å; V257-L270 PolarHBondContact O-N 2.88Å; R259-L270 HydrophobicContact CB-CD1 4.35Å; R259-L270 HydrophobicContact CB-CD2 4.1Å; R259-L270 HydrophobicContact CB-CG 4.42Å; V268-L270 HydrophobicContact CG1-CD2 4.37Å; L270-S330 VanDerWaalsContact C-OG 3.25Å; L270-S330 WeakPolarHBondContact O-CB 3.44Å; L270-S330 PolarHBondContact O-OG 3.32Å
271L95.5Very high96.7Very high70 Ų7038.6 Ų38.637%0.36619%0.19SC..SBendtrans-129.1154.1-178.9-61.3-179.2000110.2V257 Y275V257-L271 HydrophobicContact CG2-CD1 3.83Å; L271-Y275 PolarHBondContact O-OH 2.96Å
272D95.9Very high96.7Very high84 Ų8436.8 Ų36.845%0.44918%0.179SC..  trans-71143.7168.8-66.55.4000109.6L328 R329 S330 R358D272-L328 WeakPolarHBondContact CA-O 3.45Å; D272-R329 WeakPolarHBondContact OD1-CA 3.43Å; D272-S330 PolarHBondContact OD1-N 3.45Å; D272-R358 PolarHBondContact O-NE 2.88Å; D272-R358 VanDerWaalsContact O-NE 3.13Å; D272-R358 PolarHBondContact O-NH2 3.31Å
273G95.3Very high96.6Very high0 Ų033.4 Ų33.40%016%0.157CC..EExtended strand (participates in β ladder)trans174.2178.317900000115.8Y275 L327 L328 G360G273-Y275 WeakPolarHBondContact O-CD2 3.37Å; G273-L327 WeakPolarHBondContact O-CA 3.34Å; G273-L328 PolarHBondContact N-O 3.47Å; G273-L328 PolarHBondContact O-N 3.33Å; G273-G360 WeakPolarHBondContact CA-O 3.34Å
274V96.7Very high96.2Very high30 Ų3025 Ų2518%0.18213%0.126CC..EExtended strand (participates in β ladder)trans-91.4123.2166.8-175.70000108.1V325 L359 G360V274-V325 HydrophobicContact CG1-CG1 3.43Å; V274-V325 VanDerWaalsContact CG1-CG1 3.43Å; V274-L359 HydrophobicContact CB-CB 4.46Å; V274-L359 HydrophobicContact CG1-CB 4.49Å; V274-L359 HydrophobicContact CG1-CD1 4.22Å; V274-L359 PolarHBondContact O-N 2.9Å; V274-G360 PolarHBondContact N-O 3.44Å
275Y98.1Very high95.6Very high0 Ų025.5 Ų25.50%012%0.123CC..EExtended strand (participates in β ladder)trans-118.7124.8-175.9-72.2-96.8000110.6V257 F258 V269 L271 G273 V325 S326 L328 V357 R358V257-Y275 HydrophobicContact CG1-CE1 3.99Å; V257-Y275 WeakPolarHBondContact CG1-OH 3.19Å; F258-Y275 AromaticContact CE1-CD1 3.85Å; F258-Y275 HydrophobicContact CE1-CD1 3.85Å; F258-Y275 AromaticContact CE1-CE1 3.54Å; F258-Y275 HydrophobicContact CE1-CE1 3.54Å; F258-Y275 AromaticContact CZ-CD1 3.98Å; F258-Y275 HydrophobicContact CZ-CD1 3.98Å; F258-Y275 AromaticContact CZ-CE1 3.69Å; F258-Y275 HydrophobicContact CZ-CE1 3.69Å; V269-Y275 HydrophobicContact CB-CE1 4.16Å; V269-Y275 HydrophobicContact CB-CE2 4.48Å; V269-Y275 HydrophobicContact CG1-CD1 4.07Å; V269-Y275 HydrophobicContact CG1-CE1 3.63Å; V269-Y275 HydrophobicContact CG1-CE2 4.44Å; L271-Y275 PolarHBondContact O-OH 2.96Å; G273-Y275 WeakPolarHBondContact O-CD2 3.37Å; Y275-V325 CarbonylContact O-C 3.56Å; Y275-V325 VanDerWaalsContact O-CA 3.3Å; Y275-V325 WeakPolarHBondContact O-CA 3.38Å; Y275-S326 PolarHBondContact N-O 2.94Å; Y275-S326 PolarHBondContact O-N 3.02Å; Y275-L328 HydrophobicContact CD1-CD1 4.5Å; Y275-L328 HydrophobicContact CD2-CB 3.64Å; Y275-L328 HydrophobicContact CD2-CD1 3.95Å; Y275-L328 HydrophobicContact CD2-CG 3.92Å; Y275-L328 HydrophobicContact CE2-CB 3.92Å; Y275-L328 HydrophobicContact CG-CB 4.43Å; Y275-L328 HydrophobicContact CG-CD1 3.9Å; Y275-L328 HydrophobicContact CG-CG 4.28Å; Y275-V357 CarbonylContact C-O 3.46Å; Y275-V357 WeakPolarHBondContact CA-O 3.47Å; Y275-R358 HydrophobicContact CD1-CB 4.03Å; Y275-R358 HydrophobicContact CD1-CG 4.43Å; Y275-R358 HydrophobicContact CE1-CB 3.64Å; Y275-R358 HydrophobicContact CE1-CG 3.9Å; Y275-R358 HydrophobicContact CE2-CG 4.19Å; Y275-R358 WeakPolarHBondContact OH-CD 3.2Å
276F98.4Very high94.8Very high66 Ų6625.5 Ų25.529%0.28912%0.123SC..EExtended strand (participates in β ladder)trans-82.8127.9160.6178.1-110.9000108.1Y278 A323 V325 S356 V357 L359F276-Y278 AromaticContact CD1-CD1 3.91Å; F276-Y278 HydrophobicContact CD1-CD1 3.91Å; F276-Y278 AromaticContact CE1-CD1 3.64Å; F276-Y278 HydrophobicContact CE1-CD1 3.64Å; F276-Y278 HydrophobicContact CE1-CG 4.21Å; F276-A323 HydrophobicContact CE2-CB 3.89Å; F276-A323 HydrophobicContact CZ-CB 3.75Å; F276-V325 HydrophobicContact CB-CG2 4.41Å; F276-V325 HydrophobicContact CD2-CG2 3.88Å; F276-S356 CarbonylContact O-C 3.51Å; F276-S356 WeakPolarHBondContact O-CA 3.34Å; F276-S356 WeakPolarHBondContact O-CB 3.41Å; F276-S356 PolarHBondContact O-OG 3.3Å; F276-V357 HydrophobicContact CB-CB 4.37Å; F276-V357 HydrophobicContact CD1-CG2 4.44Å; F276-V357 PolarHBondContact N-O 2.77Å; F276-V357 PolarHBondContact O-N 3.42Å; F276-L359 HydrophobicContact CB-CD1 4.1Å; F276-L359 HydrophobicContact CB-CD2 4.47Å; F276-L359 HydrophobicContact CB-CG 4.3Å
277I98.7Very high93.6Very high0 Ų026.5 Ų26.50%013%0.129CC..EExtended strand (participates in β ladder)trans-123.5132.7-178.1-53.1170000107.1V296 V298 F303 A323 G324 L328 I334 L354I277-V296 HydrophobicContact CG2-CG1 3.9Å; I277-V298 HydrophobicContact CD1-CG2 4.49Å; I277-F303 HydrophobicContact CB-CE1 4.45Å; I277-F303 HydrophobicContact CD1-CD1 4.11Å; I277-F303 HydrophobicContact CD1-CE1 3.96Å; I277-A323 CarbonylContact O-C 3.5Å; I277-A323 WeakPolarHBondContact O-CA 3.39Å; I277-A323 WeakPolarHBondContact O-CB 3.44Å; I277-G324 PolarHBondContact N-O 3.31Å; I277-G324 PolarHBondContact O-N 3.01Å; I277-L328 HydrophobicContact CD1-CD1 4.12Å; I277-I334 HydrophobicContact CD1-CD1 3.78Å; I277-I334 HydrophobicContact CD1-CG1 4.17Å; I277-I334 HydrophobicContact CG1-CD1 4.04Å; I277-I334 HydrophobicContact CG2-CG2 4.01Å; I277-L354 HydrophobicContact CG2-CD1 4.49Å
278Y98.7Very high92.5Very high33 Ų3333.6 Ų33.613%0.12916%0.16CC..EExtended strand (participates in β ladder)trans-140149.5178.165-87.9000110.5H226 F276 Y321 T322 F353 G355H226-Y278 AromaticContact ND1-CE2 3.79Å; H226-Y278 AromaticContact ND1-CZ 3.82Å; H226-Y278 PolarHBondContact ND1-OH 3.07Å; F276-Y278 AromaticContact CD1-CD1 3.91Å; F276-Y278 HydrophobicContact CD1-CD1 3.91Å; F276-Y278 AromaticContact CE1-CD1 3.64Å; F276-Y278 HydrophobicContact CE1-CD1 3.64Å; F276-Y278 HydrophobicContact CE1-CG 4.21Å; Y278-Y321 HydrophobicContact CD2-CE2 4.48Å; Y278-T322 WeakPolarHBondContact CA-O 3.33Å; Y278-F353 HydrophobicContact CD2-CD2 4.1Å; Y278-F353 AromaticContact CD2-CE2 3.99Å; Y278-F353 HydrophobicContact CD2-CE2 3.99Å; Y278-F353 HydrophobicContact CE2-CD2 4.01Å; Y278-F353 HydrophobicContact CE2-CE2 4.16Å; Y278-G355 PolarHBondContact N-O 3.08Å; Y278-G355 PolarHBondContact O-N 3.31Å
279S98.6Very high91.7Very high0 Ų034.6 Ų34.60%017%0.167CC..EExtended strand (participates in β ladder)trans-150.2151.3179.357.30000111.4Y294 V296 Y321 T322 F353S279-Y294 PolarHBondContact O-OH 2.93Å; S279-Y294 VanDerWaalsContact O-OH 3.07Å; S279-Y294 VanDerWaalsContact OG-CE2 3.31Å; S279-Y294 WeakPolarHBondContact OG-CE2 3.27Å; S279-Y294 PolarHBondContact OG-OH 2.9Å; S279-Y294 VanDerWaalsContact OG-OH 3.11Å; S279-V296 WeakPolarHBondContact OG-CG2 3.3Å; S279-Y321 WeakPolarHBondContact O-CA 3.13Å; S279-Y321 WeakPolarHBondContact O-CD2 3.21Å; S279-T322 PolarHBondContact N-O 2.94Å; S279-T322 PolarHBondContact O-N 2.73Å; S279-F353 WeakPolarHBondContact CA-O 3.3Å
280Q98.3Very high91Very high32 Ų3238.7 Ų38.715%0.1519%0.189CC..EExtended strand (participates in β ladder)trans-136.2139.7166.6-166174.4-82.200109.2T319 C320 Y321 T351 T352 F353Q280-T319 HydrophobicContact CG-CG2 4.43Å; Q280-C320 WeakPolarHBondContact CA-O 3.47Å; Q280-Y321 HydrophobicContact CB-CD2 4.08Å; Q280-Y321 HydrophobicContact CG-CD2 4.49Å; Q280-T351 WeakPolarHBondContact CG-O 3.13Å; Q280-T351 PolarHBondContact NE2-O 3.25Å; Q280-T352 CarbonylContact O-C 3.56Å; Q280-T352 VanDerWaalsContact O-CA 3.31Å; Q280-T352 WeakPolarHBondContact O-CA 3.29Å; Q280-F353 HydrophobicContact CB-CD1 4.04Å; Q280-F353 HydrophobicContact CB-CD2 3.95Å; Q280-F353 HydrophobicContact CB-CE1 3.58Å; Q280-F353 HydrophobicContact CB-CE2 3.47Å; Q280-F353 VanDerWaalsContact CB-CE2 3.47Å; Q280-F353 HydrophobicContact CB-CG 4.22Å; Q280-F353 HydrophobicContact CB-CZ 3.27Å; Q280-F353 HydrophobicContact CG-CE1 4.2Å; Q280-F353 HydrophobicContact CG-CZ 4.07Å; Q280-F353 PolarHBondContact N-O 2.94Å; Q280-F353 PolarHBondContact O-N 3.45Å; Q280-F353 VanDerWaalsContact O-O 3.14Å
281V97.3Very high90.6Very high0 Ų040.5 Ų40.50%020%0.198CC..EExtended strand (participates in β ladder)trans-130.3128.9173.7-176.80000108.6L245 Y294 C320 I336 I338 I345 T352L245-V281 HydrophobicContact CD1-CG1 4.24Å; L245-V281 HydrophobicContact CD1-CG2 3.85Å; V281-Y294 HydrophobicContact CB-CD1 3.76Å; V281-Y294 HydrophobicContact CB-CE1 3.61Å; V281-Y294 HydrophobicContact CG2-CD1 3.68Å; V281-Y294 HydrophobicContact CG2-CD2 4.34Å; V281-Y294 HydrophobicContact CG2-CE1 3.55Å; V281-Y294 HydrophobicContact CG2-CE2 4.26Å; V281-Y294 HydrophobicContact CG2-CG 4.07Å; V281-C320 PolarHBondContact N-O 2.97Å; V281-C320 VanDerWaalsContact N-O 3.08Å; V281-C320 PolarHBondContact O-N 2.85Å; V281-I336 HydrophobicContact CG2-CD1 4.15Å; V281-I336 HydrophobicContact CG2-CG2 4.05Å; V281-I338 HydrophobicContact CG1-CD1 4.23Å; V281-I345 HydrophobicContact CG1-CD1 3.75Å; V281-I345 HydrophobicContact CG1-CG1 4.38Å; V281-I345 HydrophobicContact CG1-CG2 3.56Å; V281-T352 HydrophobicContact CG1-CG2 4.48Å
282E94.9Very high90.3Very high19 Ų1937.3 Ų37.39%0.08918%0.181CC..EExtended strand (participates in β ladder)trans-90114.6171.3-172.6176.6-133.600110.6F317 N318 T319 N346 T351 T352E282-F317 HydrophobicContact CG-CD1 4.48Å; E282-N318 WeakPolarHBondContact CA-O 3.45Å; E282-T319 HydrophobicContact CB-CG2 4.09Å; E282-T319 HydrophobicContact CG-CG2 4.18Å; E282-N346 HydrophobicContact CB-CB 4.28Å; E282-N346 HydrophobicContact CG-CB 4.17Å; E282-N346 PolarHBondContact O-N 3.27Å; E282-N346 VanDerWaalsContact OE2-CB 3.31Å; E282-N346 WeakPolarHBondContact OE2-CB 3.45Å; E282-N346 VanDerWaalsContact OE2-CG 3.29Å; E282-N346 PolarHBondContact OE2-ND2 3.01Å; E282-T351 WeakPolarHBondContact CB-OG1 3.49Å; E282-T351 VanDerWaalsContact CD-CB 3.45Å; E282-T351 VanDerWaalsContact CD-OG1 3.27Å; E282-T351 VanDerWaalsContact OE2-CB 3.23Å; E282-T351 WeakPolarHBondContact OE2-CB 3.41Å; E282-T351 PolarHBondContact OE2-OG1 3.37Å; E282-T352 PolarHBondContact N-OG1 2.98Å
283V91.8Very high90.2Very high5 Ų533.9 Ų33.93%0.0316%0.164CC..EExtended strand (participates in β ladder)trans-89.7124.2174.4-179.40000107.6L286 A292 I310 N318 T343 I345V283-L286 HydrophobicContact CG1-CD1 3.29Å; V283-A292 HydrophobicContact CB-CB 4.33Å; V283-A292 HydrophobicContact CG1-CB 3.92Å; V283-A292 HydrophobicContact CG2-CB 3.89Å; V283-I310 HydrophobicContact CG1-CD1 4.04Å; V283-N318 PolarHBondContact N-O 3.05Å; V283-N318 PolarHBondContact O-N 2.97Å; V283-T343 HydrophobicContact CG1-CG2 3.9Å; V283-I345 HydrophobicContact CG2-CD1 4.07Å
284Y82.7Confident90.3Very high40 Ų4034 Ų3416%0.15716%0.164CC..EExtended strand (participates in β ladder)trans-94.9-36.5-178.3174.8-124000112.5R315 K316 F317 L344Y284-R315 HydrophobicContact CE1-CG 4.14Å; Y284-R315 HydrophobicContact CE2-CB 4.02Å; Y284-R315 HydrophobicContact CE2-CG 4.21Å; Y284-R315 VanDerWaalsContact OH-CD 3.22Å; Y284-R315 WeakPolarHBondContact OH-CD 3.24Å; Y284-R315 PolarHBondContact OH-NH1 2.8Å; Y284-K316 CarbonylContact C-O 3.6Å; Y284-K316 PolarHBondContact O-N 2.88Å; Y284-K316 VanDerWaalsContact O-N 3.12Å; Y284-K316 VanDerWaalsContact O-O 3.11Å; Y284-F317 AromaticContact CD2-CD1 3.75Å; Y284-F317 HydrophobicContact CD2-CD1 3.75Å; Y284-F317 AromaticContact CD2-CE1 3.28Å; Y284-F317 HydrophobicContact CD2-CE1 3.28Å; Y284-F317 HydrophobicContact CD2-CE2 4.11Å; Y284-F317 HydrophobicContact CD2-CG 4.35Å; Y284-F317 AromaticContact CD2-CZ 3.51Å; Y284-F317 HydrophobicContact CD2-CZ 3.51Å; Y284-F317 HydrophobicContact CE2-CD1 4.36Å; Y284-F317 AromaticContact CE2-CE1 3.56Å; Y284-F317 HydrophobicContact CE2-CE1 3.56Å; Y284-F317 AromaticContact CE2-CE2 3.82Å; Y284-F317 HydrophobicContact CE2-CE2 3.82Å; Y284-F317 AromaticContact CE2-CZ 3.25Å; Y284-F317 HydrophobicContact CE2-CZ 3.25Å; Y284-F317 HydrophobicContact CG-CE1 4.37Å; Y284-L344 HydrophobicContact CD1-CB 4.28Å; Y284-L344 HydrophobicContact CD1-CD1 4.29Å; Y284-L344 PolarHBondContact N-O 2.93Å
285Y82.2Confident90.4Very high59 Ų5933.3 Ų33.323%0.23116%0.16CC..EExtended strand (participates in β ladder)trans-162138.8-173.7-179.8-97.7000110N287 R315 L344Y285-N287 HydrophobicContact CE1-CB 4.02Å; Y285-R315 HydrophobicContact CD2-CG 4.08Å; Y285-L344 HydrophobicContact CD1-CD1 3.89Å; Y285-L344 HydrophobicContact CD1-CG 4.1Å; Y285-L344 HydrophobicContact CG-CD1 4.25Å; Y285-L344 PolarHBondContact O-N 3.32Å
286L78.9Confident90.4Very high1 Ų133.3 Ų33.31%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-121.2148.3158.9-8787.4000110.5V283 T289 I291 A292 I310 H340 T343V283-L286 HydrophobicContact CG1-CD1 3.29Å; L286-T289 WeakPolarHBondContact CD2-OG1 3.44Å; L286-I291 VanDerWaalsContact CD2-O 3.27Å; L286-I291 WeakPolarHBondContact CD2-O 3.14Å; L286-A292 HydrophobicContact CD1-CB 3.46Å; L286-A292 VanDerWaalsContact CD1-CB 3.46Å; L286-A292 HydrophobicContact CD2-CB 4.45Å; L286-I310 HydrophobicContact CB-CD1 3.84Å; L286-I310 HydrophobicContact CD1-CD1 3.32Å; L286-I310 HydrophobicContact CD1-CG1 4.19Å; L286-I310 HydrophobicContact CG-CD1 4.15Å; L286-H340 HydrophobicContact CD2-CB 4.13Å; L286-T343 HydrophobicContact CD1-CG2 3.58Å; L286-T343 WeakPolarHBondContact CD2-OG1 3.29Å; L286-T343 HydrophobicContact CG-CG2 3.96Å; L286-T343 VanDerWaalsContact CG-OG1 3.29Å; L286-T343 WeakPolarHBondContact CG-OG1 3.41Å
287N72.2Confident90.4Very high60 Ų6030.4 Ų30.432%0.32115%0.147SC..SBendtrans-104.1146.7163.9-155.6-2000110.1Y285 T289 Y342Y285-N287 HydrophobicContact CE1-CB 4.02Å; N287-T289 PolarHBondContact O-N 3.44Å; N287-Y342 PolarHBondContact N-O 2.87Å
288F75.2Confident90.4Very high149 Ų14931.1 Ų31.165%0.65415%0.152SC*.SBendtrans67.9-9.2172-44.3-72000118.7Y342F288-Y342 HydrophobicContact CD2-CD2 4.12Å; F288-Y342 HydrophobicContact CD2-CG 4.07Å; F288-Y342 HydrophobicContact CE2-CD1 4.32Å; F288-Y342 HydrophobicContact CE2-CG 4.23Å
289T80.8Confident90.3Very high43 Ų4332.7 Ų32.726%0.26416%0.162SC..  trans-139.5146.3173.969.20000112.2L286 N287 I291 T312L286-T289 WeakPolarHBondContact CD2-OG1 3.44Å; N287-T289 PolarHBondContact O-N 3.44Å; T289-I291 VanDerWaalsContact C-N 3.28Å; T289-I291 PolarHBondContact OG1-O 2.89Å; T289-I291 VanDerWaalsContact OG1-O 3.07Å; T289-T312 WeakPolarHBondContact O-CG2 3.33Å
290D84.1Confident90Very high86 Ų8637.3 Ų37.346%0.4620%0.195SC..SBendtrans-92.211.7174.965-30.8000112.6S309 I310 T312D290-S309 CarbonylContact O-C 3.59Å; D290-S309 WeakPolarHBondContact O-CA 3.5Å; D290-S309 PolarHBondContact O-OG 3.46Å; D290-I310 CarbonylContact C-O 2.96Å; D290-I310 WeakPolarHBondContact CA-O 3.07Å; D290-I310 WeakPolarHBondContact CB-O 3.11Å; D290-I310 PolarHBondContact O-N 3Å; D290-T312 HydrophobicContact CB-CG2 4.06Å
291I87.6Confident89.9Confident74 Ų7439.6 Ų39.638%0.37921%0.214SC..EExtended strand (participates in β ladder)trans-126.9122.2-179.2-60.1175.2000108.1L286 T289 T307 H340L286-I291 VanDerWaalsContact CD2-O 3.27Å; L286-I291 WeakPolarHBondContact CD2-O 3.14Å; T289-I291 VanDerWaalsContact C-N 3.28Å; T289-I291 PolarHBondContact OG1-O 2.89Å; T289-I291 VanDerWaalsContact OG1-O 3.07Å; I291-T307 HydrophobicContact CG2-CG2 3.37Å; I291-H340 PolarHBondContact O-CD2 3.17Å; I291-H340 VanDerWaalsContact O-CD2 3.28Å; I291-H340 PolarHBondContact O-NE2 3.27Å
292A89.8Confident89.9Confident2 Ų243.4 Ų43.42%0.01724%0.239CC..EExtended strand (participates in β ladder)trans-104131.3168.500000109.1V283 L286 T307 C308 I310V283-A292 HydrophobicContact CB-CB 4.33Å; V283-A292 HydrophobicContact CG1-CB 3.92Å; V283-A292 HydrophobicContact CG2-CB 3.89Å; L286-A292 HydrophobicContact CD1-CB 3.46Å; L286-A292 VanDerWaalsContact CD1-CB 3.46Å; L286-A292 HydrophobicContact CD2-CB 4.45Å; A292-T307 CarbonylContact O-C 3.55Å; A292-T307 WeakPolarHBondContact O-CA 3.17Å; A292-C308 PolarHBondContact N-O 2.98Å; A292-C308 PolarHBondContact O-N 2.97Å; A292-I310 HydrophobicContact CB-CG2 4.43Å
293S94.8Very high90.1Very high12 Ų1245.7 Ų45.78%0.08425%0.248CC..EExtended strand (participates in β ladder)trans-142.8147.6178.8-171.70000111.7R305 C306 T307 A339S293-R305 WeakPolarHBondContact OG-CG 3.47Å; S293-C306 WeakPolarHBondContact CA-O 3.48Å; S293-C306 WeakPolarHBondContact CB-O 3.12Å; S293-C306 PolarHBondContact OG-O 3.46Å; S293-T307 PolarHBondContact OG-OG1 3.22Å; S293-A339 VanDerWaalsContact O-CB 3.29Å; S293-A339 WeakPolarHBondContact O-CB 3.23Å; S293-A339 PolarHBondContact O-N 3.38Å
294Y97.4Very high90.4Very high3 Ų346.8 Ų46.81%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-140.1155.1167.672.9-100.2000110.4S279 V281 V296 R305 C306 C320 T322 I336 R337S279-Y294 PolarHBondContact O-OH 2.93Å; S279-Y294 VanDerWaalsContact O-OH 3.07Å; S279-Y294 VanDerWaalsContact OG-CE2 3.31Å; S279-Y294 WeakPolarHBondContact OG-CE2 3.27Å; S279-Y294 PolarHBondContact OG-OH 2.9Å; S279-Y294 VanDerWaalsContact OG-OH 3.11Å; V281-Y294 HydrophobicContact CB-CD1 3.76Å; V281-Y294 HydrophobicContact CB-CE1 3.61Å; V281-Y294 HydrophobicContact CG2-CD1 3.68Å; V281-Y294 HydrophobicContact CG2-CD2 4.34Å; V281-Y294 HydrophobicContact CG2-CE1 3.55Å; V281-Y294 HydrophobicContact CG2-CE2 4.26Å; V281-Y294 HydrophobicContact CG2-CG 4.07Å; Y294-V296 HydrophobicContact CE2-CG2 4.08Å; Y294-R305 WeakPolarHBondContact O-CA 3.26Å; Y294-C306 HydrophobicContact CD1-CB 3.99Å; Y294-C306 HydrophobicContact CD2-CB 4.5Å; Y294-C306 HydrophobicContact CE1-CB 3.49Å; Y294-C306 VanDerWaalsContact CE1-CB 3.49Å; Y294-C306 HydrophobicContact CE2-CB 4.03Å; Y294-C306 HydrophobicContact CG-CB 4.48Å; Y294-C306 PolarHBondContact N-O 2.92Å; Y294-C306 VanDerWaalsContact N-O 3.07Å; Y294-C306 PolarHBondContact O-N 2.66Å; Y294-C320 HydrophobicContact CD1-CB 4.47Å; Y294-C320 HydrophobicContact CE1-CB 3.87Å; Y294-C320 WeakPolarHBondContact CE1-O 3.44Å; Y294-C320 PolarHBondContact OH-O 3.23Å; Y294-T322 HydrophobicContact CE2-CG2 4.01Å; Y294-I336 HydrophobicContact CD2-CG2 3.65Å; Y294-I336 HydrophobicContact CE2-CG2 4.33Å; Y294-I336 HydrophobicContact CG-CG2 4.04Å; Y294-R337 CarbonylContact C-O 3.52Å; Y294-R337 VanDerWaalsContact CA-O 3.28Å; Y294-R337 WeakPolarHBondContact CA-O 3.35Å; Y294-R337 WeakPolarHBondContact CB-O 3.42Å
295D98.3Very high91.1Very high15 Ų1552 Ų528%0.0827%0.274CS..EExtended strand (participates in β ladder)trans-110.8134.6175.5-68.9-44.2000110.8M297 P302 L304 R305 I336 R337D295-M297 HydrophobicContact CB-SD 3.53Å; D295-M297 VanDerWaalsContact CB-SD 3.53Å; D295-P302 HydrophobicContact CB-CB 4.22Å; D295-L304 CarbonylContact C-O 3.6Å; D295-L304 VanDerWaalsContact CA-O 3.29Å; D295-L304 WeakPolarHBondContact CA-O 3.3Å; D295-R305 WeakPolarHBondContact OD1-CB 3.22Å; D295-R305 WeakPolarHBondContact OD1-CG 3.46Å; D295-R305 IonicContact OD1-CZ 3.94Å; D295-R305 IonicContact OD1-NE 3.93Å; D295-R305 PolarHBondContact OD1-NE 2.9Å; D295-R305 IonicContact OD1-NH2 3.14Å; D295-R305 PolarHBondContact OD1-NH2 3.43Å; D295-R305 IonicContact OD2-CZ 2.69Å; D295-R305 IonicContact OD2-NE 2.57Å; D295-R305 IonicContact OD2-NH2 3.66Å; D295-R305 PolarHBondContact OD2-NH2 2.98Å; D295-I336 CarbonylContact O-C 3.58Å; D295-I336 WeakPolarHBondContact O-CA 3.31Å; D295-R337 PolarHBondContact N-O 2.72Å; D295-R337 PolarHBondContact O-N 3.13Å
296V98.6Very high91.9Very high0 Ų049.8 Ų49.80%027%0.266CS..EExtended strand (participates in β ladder)trans-81.7112.5159.4-1760000106.6I277 S279 Y294 F303 L304 T322 I334 S335I277-V296 HydrophobicContact CG2-CG1 3.9Å; S279-V296 WeakPolarHBondContact OG-CG2 3.3Å; Y294-V296 HydrophobicContact CE2-CG2 4.08Å; V296-F303 WeakPolarHBondContact O-CB 3.36Å; V296-F303 PolarHBondContact O-N 2.75Å; V296-L304 HydrophobicContact CB-CB 4.01Å; V296-L304 HydrophobicContact CB-CD1 4.48Å; V296-L304 HydrophobicContact CG2-CB 4.09Å; V296-L304 HydrophobicContact CG2-CD1 4.38Å; V296-L304 PolarHBondContact N-O 2.98Å; V296-L304 PolarHBondContact O-N 2.84Å; V296-T322 HydrophobicContact CG2-CG2 3.95Å; V296-I334 HydrophobicContact CG1-CG2 3.97Å; V296-S335 CarbonylContact C-O 3.58Å
297M98.4Very high92.7Very high5 Ų553.7 Ų53.73%0.02529%0.29CS..EExtended strand (participates in β ladder)trans-91.6137.2-178.9-51.7-60.6-65.700110D295 S300 S301 P302 I334 S335 R337D295-M297 HydrophobicContact CB-SD 3.53Å; D295-M297 VanDerWaalsContact CB-SD 3.53Å; M297-S300 VanDerWaalsContact CE-O 3.25Å; M297-S300 WeakPolarHBondContact CE-O 3.17Å; M297-S301 WeakPolarHBondContact CA-O 3.34Å; M297-P302 HydrophobicContact CE-CB 4.38Å; M297-P302 HydrophobicContact SD-CB 4.06Å; M297-I334 VanDerWaalsContact O-CA 3.31Å; M297-I334 WeakPolarHBondContact O-CA 3.28Å; M297-S335 PolarHBondContact N-O 2.93Å; M297-S335 PolarHBondContact O-N 3.14Å; M297-R337 HydrophobicContact CG-CB 3.74Å; M297-R337 HydrophobicContact SD-CB 4.11Å
298V98.2Very high93.5Very high16 Ų1652 Ų5210%0.09728%0.283CS..EExtended strand (participates in β ladder)trans-110.1116.5161176.80000107.2I277 S300 S301 F303 L328 K333I277-V298 HydrophobicContact CD1-CG2 4.49Å; V298-S300 PolarHBondContact O-N 3.36Å; V298-S300 VanDerWaalsContact O-N 3.1Å; V298-S301 PolarHBondContact N-O 2.57Å; V298-S301 PolarHBondContact O-N 3.48Å; V298-F303 HydrophobicContact CB-CB 4.42Å; V298-F303 HydrophobicContact CG2-CB 3.76Å; V298-F303 HydrophobicContact CG2-CD1 4.16Å; V298-F303 HydrophobicContact CG2-CG 4.1Å; V298-L328 HydrophobicContact CB-CD2 4.48Å; V298-L328 HydrophobicContact CG1-CD2 3.52Å; V298-L328 HydrophobicContact CG2-CD2 4.09Å; V298-K333 CarbonylContact C-O 3.47Å; V298-K333 WeakPolarHBondContact CA-O 3.36Å
299D95.9Very high94.1Very high65 Ų6549.2 Ų49.235%0.34828%0.282SS..THydrogen-bonded Turntrans52.5-108.3-164.6-57.7-42.4000111Q332 K333D299-Q332 WeakPolarHBondContact OD1-CA 3.17Å; D299-Q332 WeakPolarHBondContact OD2-CG 3.31Å; D299-Q332 PolarHBondContact OD2-NE2 2.76Å; D299-K333 PolarHBondContact N-O 2.66Å; D299-K333 PolarHBondContact OD1-N 2.58Å
300S92.8Very high94.2Very high98 Ų9847.5 Ų47.569%0.68527%0.271SS*.THydrogen-bonded Turntrans-109.63.3177-61.10000113.4M297 V298M297-S300 VanDerWaalsContact CE-O 3.25Å; M297-S300 WeakPolarHBondContact CE-O 3.17Å; V298-S300 PolarHBondContact O-N 3.36Å; V298-S300 VanDerWaalsContact O-N 3.1Å
301S96.3Very high93.8Very high80 Ų8048.8 Ų48.856%0.55928%0.275SS*.EExtended strand (participates in β ladder)trans-104.5131.8-175.3-62.10000111M297 V298 F303M297-S301 WeakPolarHBondContact CA-O 3.34Å; V298-S301 PolarHBondContact N-O 2.57Å; V298-S301 PolarHBondContact O-N 3.48Å; S301-F303 PolarHBondContact O-N 3.27Å
302P97.6Very high93.2Very high80 Ų8048.6 Ų48.652%0.51928%0.277SS..EExtended strand (participates in β ladder)trans-66.6128174.128-32.6000109.7D295 M297D295-P302 HydrophobicContact CB-CB 4.22Å; M297-P302 HydrophobicContact CE-CB 4.38Å; M297-P302 HydrophobicContact SD-CB 4.06Å
303F98.3Very high92.3Very high66 Ų6650.5 Ų50.529%0.28930%0.297SS..EExtended strand (participates in β ladder)trans-104.2-50178.7166.4-126.6000111.7I277 V296 V298 S301I277-F303 HydrophobicContact CB-CE1 4.45Å; I277-F303 HydrophobicContact CD1-CD1 4.11Å; I277-F303 HydrophobicContact CD1-CE1 3.96Å; V296-F303 WeakPolarHBondContact O-CB 3.36Å; V296-F303 PolarHBondContact O-N 2.75Å; V298-F303 HydrophobicContact CB-CB 4.42Å; V298-F303 HydrophobicContact CG2-CB 3.76Å; V298-F303 HydrophobicContact CG2-CD1 4.16Å; V298-F303 HydrophobicContact CG2-CG 4.1Å; S301-F303 PolarHBondContact O-N 3.27Å
304L98.4Very high91.3Very high29 Ų2955.5 Ų55.515%0.15232%0.319CS..EExtended strand (participates in β ladder)trans-125.2149175-57.6165.7000109.2D295 V296 T322 A323D295-L304 CarbonylContact C-O 3.6Å; D295-L304 VanDerWaalsContact CA-O 3.29Å; D295-L304 WeakPolarHBondContact CA-O 3.3Å; V296-L304 HydrophobicContact CB-CB 4.01Å; V296-L304 HydrophobicContact CB-CD1 4.48Å; V296-L304 HydrophobicContact CG2-CB 4.09Å; V296-L304 HydrophobicContact CG2-CD1 4.38Å; V296-L304 PolarHBondContact N-O 2.98Å; V296-L304 PolarHBondContact O-N 2.84Å; L304-T322 HydrophobicContact CB-CG2 3.91Å; L304-T322 HydrophobicContact CD1-CG2 4.34Å; L304-A323 VanDerWaalsContact CD1-C 3.47Å
305R98.2Very high90.2Very high149 Ų14963.5 Ų63.556%0.56235%0.349SS*.EExtended strand (participates in β ladder)trans-123.4136.9171.5-178.7165.3-70.6167.7-2109.7S293 Y294 D295S293-R305 WeakPolarHBondContact OG-CG 3.47Å; Y294-R305 WeakPolarHBondContact O-CA 3.26Å; D295-R305 WeakPolarHBondContact OD1-CB 3.22Å; D295-R305 WeakPolarHBondContact OD1-CG 3.46Å; D295-R305 IonicContact OD1-CZ 3.94Å; D295-R305 IonicContact OD1-NE 3.93Å; D295-R305 PolarHBondContact OD1-NE 2.9Å; D295-R305 IonicContact OD1-NH2 3.14Å; D295-R305 PolarHBondContact OD1-NH2 3.43Å; D295-R305 IonicContact OD2-CZ 2.69Å; D295-R305 IonicContact OD2-NE 2.57Å; D295-R305 IonicContact OD2-NH2 3.66Å; D295-R305 PolarHBondContact OD2-NH2 2.98Å
306C97.9Very high89.2Confident12 Ų1266.9 Ų66.98%0.08136%0.363CS..EExtended strand (participates in β ladder)trans-110.8134.6164.3-1610000108.4S293 Y294 C320 Y321 T322S293-C306 WeakPolarHBondContact CA-O 3.48Å; S293-C306 WeakPolarHBondContact CB-O 3.12Å; S293-C306 PolarHBondContact OG-O 3.46Å; Y294-C306 HydrophobicContact CD1-CB 3.99Å; Y294-C306 HydrophobicContact CD2-CB 4.5Å; Y294-C306 HydrophobicContact CE1-CB 3.49Å; Y294-C306 VanDerWaalsContact CE1-CB 3.49Å; Y294-C306 HydrophobicContact CE2-CB 4.03Å; Y294-C306 HydrophobicContact CG-CB 4.48Å; Y294-C306 PolarHBondContact N-O 2.92Å; Y294-C306 VanDerWaalsContact N-O 3.07Å; Y294-C306 PolarHBondContact O-N 2.66Å; C306-C320 VanDerWaalsContact C-SG 3.53Å; C306-C320 HydrophobicContact CB-CB 4.1Å; C306-C320 WeakPolarHBondContact CB-SG 3.47Å; C306-C320 WeakPolarHBondContact SG-CA 3.45Å; C306-C320 WeakPolarHBondContact SG-CB 3.46Å; C306-C320 CovalentContact SG-SG 2.03Å; C306-C320 PolarHBondContact SG-SG 2.71Å; C306-Y321 PolarHBondContact SG-N 3.38Å; C306-Y321 VanDerWaalsContact SG-N 3.37Å; C306-Y321 PolarHBondContact SG-O 3.37Å; C306-Y321 VanDerWaalsContact SG-O 3.37Å; C306-T322 HydrophobicContact CB-CG2 4.1Å
307T95.1Very high88.5Confident83 Ų8372.6 Ų72.651%0.50939%0.388SS..EExtended strand (participates in β ladder)trans-136126177.2-52.30000108.5I291 A292 S293 C320I291-T307 HydrophobicContact CG2-CG2 3.37Å; A292-T307 CarbonylContact O-C 3.55Å; A292-T307 WeakPolarHBondContact O-CA 3.17Å; S293-T307 PolarHBondContact OG-OG1 3.22Å; T307-C320 PolarHBondContact N-SG 3.29Å
308C90.3Very high88.1Confident26 Ų2674.9 Ų74.918%0.17640%0.4CS..EExtended strand (participates in β ladder)trans-127.5144.3172.657.20000110A292 C320A292-C308 PolarHBondContact N-O 2.98Å; A292-C308 PolarHBondContact O-N 2.97Å; C308-C320 HydrophobicContact CB-CB 4.47Å
309S88.1Confident87.9Confident89 Ų8977.7 Ų77.762%0.62242%0.417SS*.EExtended strand (participates in β ladder)trans-85.2135.7171.7-179.80000109.3D290D290-S309 CarbonylContact O-C 3.59Å; D290-S309 WeakPolarHBondContact O-CA 3.5Å; D290-S309 PolarHBondContact O-OG 3.46Å
310I81.3Confident87.9Confident7 Ų775 Ų754%0.03640%0.403CS..  trans-133.8149.8177.672.9163.1000110.5V283 L286 D290 A292 T312 N318V283-I310 HydrophobicContact CG1-CD1 4.04Å; L286-I310 HydrophobicContact CB-CD1 3.84Å; L286-I310 HydrophobicContact CD1-CD1 3.32Å; L286-I310 HydrophobicContact CD1-CG1 4.19Å; L286-I310 HydrophobicContact CG-CD1 4.15Å; D290-I310 CarbonylContact C-O 2.96Å; D290-I310 WeakPolarHBondContact CA-O 3.07Å; D290-I310 WeakPolarHBondContact CB-O 3.11Å; D290-I310 PolarHBondContact O-N 3Å; A292-I310 HydrophobicContact CB-CG2 4.43Å; I310-T312 PolarHBondContact O-N 3.28Å; I310-N318 HydrophobicContact CG2-CB 4.06Å; I310-N318 WeakPolarHBondContact CG2-ND2 3.09Å
311E77.7Confident88.1Confident114 Ų11475.9 Ų75.953%0.53339%0.393SS..  trans-76.1123.4176.8-169.1173.8177.200110.6K316E311-K316 HydrophobicContact CB-CD 4.2Å; E311-K316 VanDerWaalsContact OE2-CE 3.28Å; E311-K316 WeakPolarHBondContact OE2-CE 3.46Å; E311-K316 IonicContact OE2-NZ 3.63Å; E311-K316 PolarHBondContact OE2-NZ 3.23Å
312T74.8Confident88.2Confident70 Ų7073.2 Ų73.243%0.42937%0.373SS..THydrogen-bonded Turntrans-65.4144.6-178.548.20000112.8T289 D290 I310 Q314T289-T312 WeakPolarHBondContact O-CG2 3.33Å; D290-T312 HydrophobicContact CB-CG2 4.06Å; I310-T312 PolarHBondContact O-N 3.28Å; T312-Q314 PolarHBondContact O-N 2.92Å
313G69.7Low88.3Confident42 Ų4271 Ų7143%0.43336%0.362SS..THydrogen-bonded Turntrans78.6-3.9170.300000115
314Q73.8Confident88.3Confident116 Ų11668.6 Ų68.654%0.54236%0.355SS..SBendtrans-111.1145.3172.2-67.3-63.4-42.300110.6T312 K316T312-Q314 PolarHBondContact O-N 2.92Å; Q314-K316 HydrophobicContact CB-CG 4.38Å; Q314-K316 PolarHBondContact O-N 2.8Å
315R74Confident88.3Confident172 Ų17271.1 Ų71.165%0.64937%0.371SS*.  trans-77.3107.2171.7-73.9166.9172.8-151.312.8108.2Y284 Y285Y284-R315 HydrophobicContact CE1-CG 4.14Å; Y284-R315 HydrophobicContact CE2-CB 4.02Å; Y284-R315 HydrophobicContact CE2-CG 4.21Å; Y284-R315 VanDerWaalsContact OH-CD 3.22Å; Y284-R315 WeakPolarHBondContact OH-CD 3.24Å; Y284-R315 PolarHBondContact OH-NH1 2.8Å; Y285-R315 HydrophobicContact CD2-CG 4.08Å
316K78.8Confident88.2Confident85 Ų8565.3 Ų65.337%0.3735%0.354SS..  trans-131.6125.4178.4-70.4-164.3180-175.40109.8Y284 E311 Q314 N318Y284-K316 CarbonylContact C-O 3.6Å; Y284-K316 PolarHBondContact O-N 2.88Å; Y284-K316 VanDerWaalsContact O-N 3.12Å; Y284-K316 VanDerWaalsContact O-O 3.11Å; E311-K316 HydrophobicContact CB-CD 4.2Å; E311-K316 VanDerWaalsContact OE2-CE 3.28Å; E311-K316 WeakPolarHBondContact OE2-CE 3.46Å; E311-K316 IonicContact OE2-NZ 3.63Å; E311-K316 PolarHBondContact OE2-NZ 3.23Å; Q314-K316 HydrophobicContact CB-CG 4.38Å; Q314-K316 PolarHBondContact O-N 2.8Å; K316-N318 PolarHBondContact O-N 3.36Å
317F82.2Confident88.1Confident121 Ų12169.6 Ų69.653%0.53138%0.375SS..  trans-81113.4176.2-60.7-90.6000109.2E282 Y284E282-F317 HydrophobicContact CG-CD1 4.48Å; Y284-F317 AromaticContact CD2-CD1 3.75Å; Y284-F317 HydrophobicContact CD2-CD1 3.75Å; Y284-F317 AromaticContact CD2-CE1 3.28Å; Y284-F317 HydrophobicContact CD2-CE1 3.28Å; Y284-F317 HydrophobicContact CD2-CE2 4.11Å; Y284-F317 HydrophobicContact CD2-CG 4.35Å; Y284-F317 AromaticContact CD2-CZ 3.51Å; Y284-F317 HydrophobicContact CD2-CZ 3.51Å; Y284-F317 HydrophobicContact CE2-CD1 4.36Å; Y284-F317 AromaticContact CE2-CE1 3.56Å; Y284-F317 HydrophobicContact CE2-CE1 3.56Å; Y284-F317 AromaticContact CE2-CE2 3.82Å; Y284-F317 HydrophobicContact CE2-CE2 3.82Å; Y284-F317 AromaticContact CE2-CZ 3.25Å; Y284-F317 HydrophobicContact CE2-CZ 3.25Å; Y284-F317 HydrophobicContact CG-CE1 4.37Å
318N90Very high88.2Confident52 Ų5265.8 Ų65.828%0.27835%0.352SS..EExtended strand (participates in β ladder)trans-128.2124.9174.5-70.2-82.4000109.4E282 V283 I310 K316E282-N318 WeakPolarHBondContact CA-O 3.45Å; V283-N318 PolarHBondContact N-O 3.05Å; V283-N318 PolarHBondContact O-N 2.97Å; I310-N318 HydrophobicContact CG2-CB 4.06Å; I310-N318 WeakPolarHBondContact CG2-ND2 3.09Å; K316-N318 PolarHBondContact O-N 3.36Å
319T94.3Very high88.6Confident75 Ų7573.1 Ų73.146%0.4638%0.376SS..EExtended strand (participates in β ladder)trans-89.3131.8171.251.60000109.7Q280 E282Q280-T319 HydrophobicContact CG-CG2 4.43Å; E282-T319 HydrophobicContact CB-CG2 4.09Å; E282-T319 HydrophobicContact CG-CG2 4.18Å
320C95.8Very high89Confident8 Ų872.1 Ų72.15%0.05437%0.368CS..EExtended strand (participates in β ladder)trans-115.2113.3173.6-159.60000108.5Q280 V281 Y294 C306 T307 C308Q280-C320 WeakPolarHBondContact CA-O 3.47Å; V281-C320 PolarHBondContact N-O 2.97Å; V281-C320 VanDerWaalsContact N-O 3.08Å; V281-C320 PolarHBondContact O-N 2.85Å; Y294-C320 HydrophobicContact CD1-CB 4.47Å; Y294-C320 HydrophobicContact CE1-CB 3.87Å; Y294-C320 WeakPolarHBondContact CE1-O 3.44Å; Y294-C320 PolarHBondContact OH-O 3.23Å; C306-C320 VanDerWaalsContact C-SG 3.53Å; C306-C320 HydrophobicContact CB-CB 4.1Å; C306-C320 WeakPolarHBondContact CB-SG 3.47Å; C306-C320 WeakPolarHBondContact SG-CA 3.45Å; C306-C320 WeakPolarHBondContact SG-CB 3.46Å; C306-C320 CovalentContact SG-SG 2.03Å; C306-C320 PolarHBondContact SG-SG 2.71Å; T307-C320 PolarHBondContact N-SG 3.29Å; C308-C320 HydrophobicContact CB-CB 4.47Å
321Y98.2Very high89.8Confident118 Ų11873.9 Ų73.946%0.46339%0.389SS..EExtended strand (participates in β ladder)trans-106.9138.6-178.7177.9-85.1000111.3Y278 S279 Q280 C306 A323 F353Y278-Y321 HydrophobicContact CD2-CE2 4.48Å; S279-Y321 WeakPolarHBondContact O-CA 3.13Å; S279-Y321 WeakPolarHBondContact O-CD2 3.21Å; Q280-Y321 HydrophobicContact CB-CD2 4.08Å; Q280-Y321 HydrophobicContact CG-CD2 4.49Å; C306-Y321 PolarHBondContact SG-N 3.38Å; C306-Y321 VanDerWaalsContact SG-N 3.37Å; C306-Y321 PolarHBondContact SG-O 3.37Å; C306-Y321 VanDerWaalsContact SG-O 3.37Å; Y321-A323 HydrophobicContact CE1-CB 3.93Å; Y321-F353 HydrophobicContact CD2-CE2 4.17Å; Y321-F353 HydrophobicContact CD2-CZ 4.25Å; Y321-F353 HydrophobicContact CE2-CE2 4.08Å; Y321-F353 HydrophobicContact CE2-CZ 4.42Å
322T98.6Very high90.7Very high24 Ų2470.5 Ų70.515%0.14737%0.373CS..EExtended strand (participates in β ladder)trans-146154.6168.8-166.80000111.1Y278 S279 Y294 V296 L304 C306Y278-T322 WeakPolarHBondContact CA-O 3.33Å; S279-T322 PolarHBondContact N-O 2.94Å; S279-T322 PolarHBondContact O-N 2.73Å; Y294-T322 HydrophobicContact CE2-CG2 4.01Å; V296-T322 HydrophobicContact CG2-CG2 3.95Å; L304-T322 HydrophobicContact CB-CG2 3.91Å; L304-T322 HydrophobicContact CD1-CG2 4.34Å; C306-T322 HydrophobicContact CB-CG2 4.1Å
323A98.7Very high91.9Very high34 Ų3470.6 Ų70.628%0.28137%0.367SS..EExtended strand (participates in β ladder)trans-154.5156.4177.400000111.8F276 I277 L304 Y321F276-A323 HydrophobicContact CE2-CB 3.89Å; F276-A323 HydrophobicContact CZ-CB 3.75Å; I277-A323 CarbonylContact O-C 3.5Å; I277-A323 WeakPolarHBondContact O-CA 3.39Å; I277-A323 WeakPolarHBondContact O-CB 3.44Å; L304-A323 VanDerWaalsContact CD1-C 3.47Å; Y321-A323 HydrophobicContact CE1-CB 3.93Å
324G98.4Very high93.2Very high14 Ų1468.6 Ų68.614%0.14435%0.347CS..EExtended strand (participates in β ladder)trans-170169.6-179.100000112.8I277I277-G324 PolarHBondContact N-O 3.31Å; I277-G324 PolarHBondContact O-N 3.01Å
325V98.1Very high94.4Very high82 Ų8263.3 Ų63.350%0.49732%0.322SS..EExtended strand (participates in β ladder)trans-111.7134.2178.7-179.80000109.4V274 Y275 F276V274-V325 HydrophobicContact CG1-CG1 3.43Å; V274-V325 VanDerWaalsContact CG1-CG1 3.43Å; Y275-V325 CarbonylContact O-C 3.56Å; Y275-V325 VanDerWaalsContact O-CA 3.3Å; Y275-V325 WeakPolarHBondContact O-CA 3.38Å; F276-V325 HydrophobicContact CB-CG2 4.41Å; F276-V325 HydrophobicContact CD2-CG2 3.88Å
326S96Very high95.6Very high27 Ų2755.1 Ų55.119%0.18929%0.292CS..EExtended strand (participates in β ladder)trans-139.8150.8175.8-170.50000111.5Y275Y275-S326 PolarHBondContact N-O 2.94Å; Y275-S326 PolarHBondContact O-N 3.02Å
327L97.1Very high96.5Very high102 Ų10254.7 Ų54.753%0.53429%0.288SS..EExtended strand (participates in β ladder)trans-82.7123.3166.9-69.194.2000108.4G273 A362 P363G273-L327 WeakPolarHBondContact O-CA 3.34Å; L327-A362 HydrophobicContact CD2-CB 4.01Å; L327-P363 HydrophobicContact CD2-CG 3.94Å
328L97.2Very high97.1Very high3 Ų349.4 Ų49.42%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-119.4144.2176.5-56.5179.3000110.8V269 D272 G273 Y275 I277 V298 Q332 I334V269-L328 HydrophobicContact CG1-CD1 3.85Å; V269-L328 HydrophobicContact CG2-CB 3.9Å; V269-L328 HydrophobicContact CG2-CD1 4.21Å; D272-L328 WeakPolarHBondContact CA-O 3.45Å; G273-L328 PolarHBondContact N-O 3.47Å; G273-L328 PolarHBondContact O-N 3.33Å; Y275-L328 HydrophobicContact CD1-CD1 4.5Å; Y275-L328 HydrophobicContact CD2-CB 3.64Å; Y275-L328 HydrophobicContact CD2-CD1 3.95Å; Y275-L328 HydrophobicContact CD2-CG 3.92Å; Y275-L328 HydrophobicContact CE2-CB 3.92Å; Y275-L328 HydrophobicContact CG-CB 4.43Å; Y275-L328 HydrophobicContact CG-CD1 3.9Å; Y275-L328 HydrophobicContact CG-CG 4.28Å; I277-L328 HydrophobicContact CD1-CD1 4.12Å; V298-L328 HydrophobicContact CB-CD2 4.48Å; V298-L328 HydrophobicContact CG1-CD2 3.52Å; V298-L328 HydrophobicContact CG2-CD2 4.09Å; L328-Q332 VanDerWaalsContact CA-OE1 3.31Å; L328-I334 HydrophobicContact CD1-CD1 3.73Å; L328-I334 HydrophobicContact CD1-CG1 4.01Å
329R96.9Very high97.3Very high181 Ų18149.3 Ų49.368%0.68327%0.271SS*.  trans-94.9152.8169.7-63.3-172.3-125.5-88.30.8110.7V269 D272 G331 Q332V269-R329 VanDerWaalsContact CG2-O 3.23Å; V269-R329 WeakPolarHBondContact CG2-O 3.49Å; D272-R329 WeakPolarHBondContact OD1-CA 3.43Å; R329-G331 PolarHBondContact O-N 2.9Å; R329-Q332 HydrophobicContact CB-CG 4.33Å; R329-Q332 WeakPolarHBondContact O-CB 3.28Å; R329-Q332 WeakPolarHBondContact O-CG 3.47Å; R329-Q332 PolarHBondContact O-N 3.04Å; R329-Q332 VanDerWaalsContact O-N 3.09Å
330S97.2Very high97.1Very high67 Ų6748.6 Ų48.647%0.46926%0.263SS..THydrogen-bonded Turntrans-50.9132.6171.2-174.70000110.7L270 D272L270-S330 VanDerWaalsContact C-OG 3.25Å; L270-S330 WeakPolarHBondContact O-CB 3.44Å; L270-S330 PolarHBondContact O-OG 3.32Å; D272-S330 PolarHBondContact OD1-N 3.45Å
331G97.5Very high96.8Very high45 Ų4554 Ų5446%0.46429%0.287SS..THydrogen-bonded Turntrans92.7-15.7-177.900000114.8V269 R329V269-G331 PolarHBondContact O-N 2.69Å; R329-G331 PolarHBondContact O-N 2.9Å
332Q98.4Very high96.3Very high42 Ų4253.2 Ų53.220%0.19628%0.284CS..  trans-66.8149.9175.9-67.1-165.3-81.300111.6V268 V269 D299 L328 R329V268-Q332 WeakPolarHBondContact CA-O 3.17Å; V269-Q332 HydrophobicContact CG2-CB 4.14Å; V269-Q332 WeakPolarHBondContact CG2-O 3.41Å; V269-Q332 PolarHBondContact N-O 2.89Å; D299-Q332 WeakPolarHBondContact OD1-CA 3.17Å; D299-Q332 WeakPolarHBondContact OD2-CG 3.31Å; D299-Q332 PolarHBondContact OD2-NE2 2.76Å; L328-Q332 VanDerWaalsContact CA-OE1 3.31Å; R329-Q332 HydrophobicContact CB-CG 4.33Å; R329-Q332 WeakPolarHBondContact O-CB 3.28Å; R329-Q332 WeakPolarHBondContact O-CG 3.47Å; R329-Q332 PolarHBondContact O-N 3.04Å; R329-Q332 VanDerWaalsContact O-N 3.09Å
333K98.4Very high95.9Very high72 Ų7252.2 Ų52.231%0.31328%0.278SS..EExtended strand (participates in β ladder)trans-117136.1-172.5-50.7-171.7-171.8176.80111.5E266 L267 V268 V298 D299E266-K333 HydrophobicContact CB-CB 4.41Å; E266-K333 HydrophobicContact CB-CD 4.21Å; E266-K333 VanDerWaalsContact CD-NZ 3.3Å; E266-K333 HydrophobicContact CG-CD 4.23Å; E266-K333 WeakPolarHBondContact OE1-CD 3.41Å; E266-K333 IonicContact OE1-NZ 2.97Å; E266-K333 PolarHBondContact OE1-NZ 2.99Å; E266-K333 IonicContact OE2-NZ 2.92Å; E266-K333 PolarHBondContact OE2-NZ 3.29Å; L267-K333 CarbonylContact O-C 3.44Å; L267-K333 WeakPolarHBondContact O-CA 3.44Å; V268-K333 HydrophobicContact CG2-CG 4.24Å; V298-K333 CarbonylContact C-O 3.47Å; V298-K333 WeakPolarHBondContact CA-O 3.36Å; D299-K333 PolarHBondContact N-O 2.66Å; D299-K333 PolarHBondContact OD1-N 2.58Å
334I98.6Very high95.6Very high0 Ų052.3 Ų52.30%027%0.273CS..EExtended strand (participates in β ladder)trans-106.8132.8172.6-54.2164000107.9L267 V269 I277 V296 M297 L328 L354L267-I334 HydrophobicContact CB-CB 4.29Å; L267-I334 HydrophobicContact CD2-CD1 4.24Å; L267-I334 PolarHBondContact N-O 3.47Å; L267-I334 PolarHBondContact O-N 2.94Å; V269-I334 HydrophobicContact CG1-CD1 4.12Å; I277-I334 HydrophobicContact CD1-CD1 3.78Å; I277-I334 HydrophobicContact CD1-CG1 4.17Å; I277-I334 HydrophobicContact CG1-CD1 4.04Å; I277-I334 HydrophobicContact CG2-CG2 4.01Å; V296-I334 HydrophobicContact CG1-CG2 3.97Å; M297-I334 VanDerWaalsContact O-CA 3.31Å; M297-I334 WeakPolarHBondContact O-CA 3.28Å; L328-I334 HydrophobicContact CD1-CD1 3.73Å; L328-I334 HydrophobicContact CD1-CG1 4.01Å; I334-L354 HydrophobicContact CG2-CD1 4.31Å
335S98.4Very high95.4Very high5 Ų551.6 Ų51.64%0.03527%0.266CS..EExtended strand (participates in β ladder)trans-147.2162.9173.264.50000111.3V296 M297V296-S335 CarbonylContact C-O 3.58Å; M297-S335 PolarHBondContact N-O 2.93Å; M297-S335 PolarHBondContact O-N 3.14Å
336I98.3Very high95.2Very high0 Ų048.9 Ų48.90%025%0.249CC..EExtended strand (participates in β ladder)trans-105.2126172-62.5175.1000107.9V244 L245 W248 V281 Y294 D295 I338 L354V244-I336 CarbonylContact C-O 3.59Å; V244-I336 WeakPolarHBondContact CA-O 3.42Å; L245-I336 HydrophobicContact CB-CB 4.25Å; L245-I336 HydrophobicContact CD1-CB 4.02Å; L245-I336 HydrophobicContact CD1-CD1 4.38Å; L245-I336 HydrophobicContact CD1-CG2 3.64Å; L245-I336 HydrophobicContact CG-CB 4.28Å; L245-I336 HydrophobicContact CG-CG2 4.04Å; L245-I336 PolarHBondContact N-O 3.13Å; W248-I336 HydrophobicContact CH2-CD1 4Å; W248-I336 HydrophobicContact CZ2-CD1 3.96Å; V281-I336 HydrophobicContact CG2-CD1 4.15Å; V281-I336 HydrophobicContact CG2-CG2 4.05Å; Y294-I336 HydrophobicContact CD2-CG2 3.65Å; Y294-I336 HydrophobicContact CE2-CG2 4.33Å; Y294-I336 HydrophobicContact CG-CG2 4.04Å; D295-I336 CarbonylContact O-C 3.58Å; D295-I336 WeakPolarHBondContact O-CA 3.31Å; I336-I338 HydrophobicContact CG2-CD1 4.29Å; I336-L354 HydrophobicContact CD1-CB 4Å; I336-L354 HydrophobicContact CD1-CD1 4.15Å; I336-L354 HydrophobicContact CD1-CG 4.45Å; I336-L354 HydrophobicContact CG1-CD1 4.19Å; I336-L354 HydrophobicContact CG1-CD2 4.42Å
337R97.8Very high95.1Very high76 Ų7647.6 Ų47.629%0.28724%0.24SC..EExtended strand (participates in β ladder)trans-113.3122.4174.4-178.9178.5-69.9177.90.5109.9Q242 G243 Y294 D295 M297Q242-R337 PolarHBondContact O-NE 3.4Å; G243-R337 CarbonylContact O-C 3.54Å; G243-R337 WeakPolarHBondContact O-CA 3.29Å; Y294-R337 CarbonylContact C-O 3.52Å; Y294-R337 VanDerWaalsContact CA-O 3.28Å; Y294-R337 WeakPolarHBondContact CA-O 3.35Å; Y294-R337 WeakPolarHBondContact CB-O 3.42Å; D295-R337 PolarHBondContact N-O 2.72Å; D295-R337 PolarHBondContact O-N 3.13Å; M297-R337 HydrophobicContact CG-CB 3.74Å; M297-R337 HydrophobicContact SD-CB 4.11Å
338I96.1Very high94.9Very high10 Ų1044.2 Ų44.25%0.05122%0.224CC..EExtended strand (participates in β ladder)trans-76132.9173.1-50.2-56.2000109.1V236 L240 G243 L245 V281 I336 T343 I345V236-I338 HydrophobicContact CG1-CB 4.1Å; V236-I338 HydrophobicContact CG1-CG2 4.42Å; V236-I338 HydrophobicContact CG2-CB 3.85Å; V236-I338 HydrophobicContact CG2-CG1 3.85Å; V236-I338 HydrophobicContact CG2-CG2 3.82Å; L240-I338 HydrophobicContact CD1-CG1 4.49Å; G243-I338 PolarHBondContact O-N 2.94Å; L245-I338 HydrophobicContact CD1-CD1 3.98Å; L245-I338 HydrophobicContact CD2-CD1 4.04Å; L245-I338 HydrophobicContact CD2-CG1 3.86Å; L245-I338 HydrophobicContact CG-CD1 3.92Å; L245-I338 HydrophobicContact CG-CG1 4.06Å; V281-I338 HydrophobicContact CG1-CD1 4.23Å; I336-I338 HydrophobicContact CG2-CD1 4.29Å; I338-T343 HydrophobicContact CG2-CG2 4.34Å; I338-I345 HydrophobicContact CD1-CD1 4Å; I338-I345 HydrophobicContact CD1-CG1 4.18Å; I338-I345 HydrophobicContact CG1-CD1 4.35Å; I338-I345 HydrophobicContact CG1-CG1 4.16Å
339A93.1Very high94.7Very high50 Ų5045.5 Ų45.541%0.41323%0.23SC..SBendtrans-75.9-30.2-174.600000113.2S293S293-A339 VanDerWaalsContact O-CB 3.29Å; S293-A339 WeakPolarHBondContact O-CB 3.23Å; S293-A339 PolarHBondContact O-N 3.38Å
340H90.6Very high94.4Very high60 Ų6043.3 Ų43.328%0.27823%0.228SC..  trans-113.1129-175-59.2-69.4000111.2L286 I291 Y342 T343L286-H340 HydrophobicContact CD2-CB 4.13Å; I291-H340 PolarHBondContact O-CD2 3.17Å; I291-H340 VanDerWaalsContact O-CD2 3.28Å; I291-H340 PolarHBondContact O-NE2 3.27Å; H340-Y342 PolarHBondContact O-N 3.44Å; H340-T343 WeakPolarHBondContact CB-OG1 3.38Å; H340-T343 PolarHBondContact O-OG1 3.16Å
341E89.5Confident94.3Very high122 Ų12241.5 Ų41.557%0.5721%0.214SC*.THydrogen-bonded Turntrans-72.7-27.6-174.8-62.1-177.717100113.2V236 R237 T343V236-E341 WeakPolarHBondContact CB-O 3.14Å; R237-E341 HydrophobicContact CB-CB 4.21Å; R237-E341 WeakPolarHBondContact CB-O 3.45Å; R237-E341 PolarHBondContact N-O 2.84Å; E341-T343 VanDerWaalsContact C-N 3.27Å; E341-T343 PolarHBondContact O-N 2.97Å
342Y88.4Confident94.3Very high102 Ų10239.3 Ų39.340%0.419%0.192SC..THydrogen-bonded Turntrans-92.828.6-178.8-59-74.6000113.4R237 N287 F288 H340R237-Y342 PolarHBondContact NH1-OH 3.18Å; N287-Y342 PolarHBondContact N-O 2.87Å; F288-Y342 HydrophobicContact CD2-CD2 4.12Å; F288-Y342 HydrophobicContact CD2-CG 4.07Å; F288-Y342 HydrophobicContact CE2-CD1 4.32Å; F288-Y342 HydrophobicContact CE2-CG 4.23Å; H340-Y342 PolarHBondContact O-N 3.44Å
343T89.8Confident94.3Very high2 Ų238.7 Ų38.71%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-96.3139.2177.6-56.70000111.3V236 V283 L286 I338 H340 E341 I345V236-T343 VanDerWaalsContact CG2-O 3.29Å; V236-T343 WeakPolarHBondContact CG2-O 3.34Å; V236-T343 PolarHBondContact N-O 2.94Å; V236-T343 VanDerWaalsContact N-O 3.13Å; V283-T343 HydrophobicContact CG1-CG2 3.9Å; L286-T343 HydrophobicContact CD1-CG2 3.58Å; L286-T343 WeakPolarHBondContact CD2-OG1 3.29Å; L286-T343 HydrophobicContact CG-CG2 3.96Å; L286-T343 VanDerWaalsContact CG-OG1 3.29Å; L286-T343 WeakPolarHBondContact CG-OG1 3.41Å; I338-T343 HydrophobicContact CG2-CG2 4.34Å; H340-T343 WeakPolarHBondContact CB-OG1 3.38Å; H340-T343 PolarHBondContact O-OG1 3.16Å; E341-T343 VanDerWaalsContact C-N 3.27Å; E341-T343 PolarHBondContact O-N 2.97Å; T343-I345 HydrophobicContact CG2-CD1 3.49Å; T343-I345 VanDerWaalsContact CG2-CD1 3.49Å; T343-I345 HydrophobicContact CG2-CG1 4.27Å
344L91.8Very high94.3Very high36 Ų3635.3 Ų35.319%0.18817%0.174CC..EExtended strand (participates in β ladder)trans-102124.8167.5-58.2-174.9000110.2T233 I234 Q235 Y284 Y285T233-L344 HydrophobicContact CG2-CB 4.39Å; I234-L344 WeakPolarHBondContact O-CA 3.44Å; Q235-L344 HydrophobicContact CB-CD2 3.74Å; Q235-L344 HydrophobicContact CG-CD2 3.53Å; Y284-L344 HydrophobicContact CD1-CB 4.28Å; Y284-L344 HydrophobicContact CD1-CD1 4.29Å; Y284-L344 PolarHBondContact N-O 2.93Å; Y285-L344 HydrophobicContact CD1-CD1 3.89Å; Y285-L344 HydrophobicContact CD1-CG 4.1Å; Y285-L344 HydrophobicContact CG-CD1 4.25Å; Y285-L344 PolarHBondContact O-N 3.32Å
345I93.9Very high94.3Very high0 Ų035.3 Ų35.30%017%0.174CC..EExtended strand (participates in β ladder)trans-107.5133-179.4-55.8-58.9000109.5T233 I234 V236 L245 V281 V283 I338 T343 M347T233-I345 WeakPolarHBondContact CA-O 3.29Å; I234-I345 HydrophobicContact CB-CB 4.4Å; I234-I345 PolarHBondContact N-O 3.42Å; I234-I345 PolarHBondContact O-N 3.11Å; V236-I345 HydrophobicContact CG2-CG1 4.07Å; L245-I345 HydrophobicContact CD2-CG1 4.34Å; L245-I345 HydrophobicContact CD2-CG2 4.32Å; V281-I345 HydrophobicContact CG1-CD1 3.75Å; V281-I345 HydrophobicContact CG1-CG1 4.38Å; V281-I345 HydrophobicContact CG1-CG2 3.56Å; V283-I345 HydrophobicContact CG2-CD1 4.07Å; I338-I345 HydrophobicContact CD1-CD1 4Å; I338-I345 HydrophobicContact CD1-CG1 4.18Å; I338-I345 HydrophobicContact CG1-CD1 4.35Å; I338-I345 HydrophobicContact CG1-CG1 4.16Å; T343-I345 HydrophobicContact CG2-CD1 3.49Å; T343-I345 VanDerWaalsContact CG2-CD1 3.49Å; T343-I345 HydrophobicContact CG2-CG1 4.27Å; I345-M347 HydrophobicContact CG2-CG 4.47Å; I345-M347 HydrophobicContact CG2-SD 3.81Å
346N93.9Very high94.2Very high24 Ų2435 Ų3513%0.12817%0.172CC..EExtended strand (participates in β ladder)trans-93113.3172.8-168.510.7000109.9E282 T348 T352E282-N346 HydrophobicContact CB-CB 4.28Å; E282-N346 HydrophobicContact CG-CB 4.17Å; E282-N346 PolarHBondContact O-N 3.27Å; E282-N346 VanDerWaalsContact OE2-CB 3.31Å; E282-N346 WeakPolarHBondContact OE2-CB 3.45Å; E282-N346 VanDerWaalsContact OE2-CG 3.29Å; E282-N346 PolarHBondContact OE2-ND2 3.01Å; N346-T348 VanDerWaalsContact C-N 3.29Å; N346-T348 WeakPolarHBondContact ND2-CG2 3.04Å; N346-T348 PolarHBondContact O-N 3.23Å; N346-T348 VanDerWaalsContact OD1-CG2 3.27Å; N346-T348 WeakPolarHBondContact OD1-CG2 3.23Å; N346-T352 WeakPolarHBondContact O-CB 3.4Å; N346-T352 PolarHBondContact O-OG1 3.14Å
347M94.3Very high94.2Very high0 Ų036.4 Ų36.40%018%0.18CC..  trans-91.139.2-176.9-60.2-68.6-63.100112.2G229 Q230 E231 T232 I234 L245 R246 W248 I345 T352G229-M347 CarbonylContact C-O 3.57Å; G229-M347 WeakPolarHBondContact CA-O 3.38Å; Q230-M347 PolarHBondContact N-O 3.23Å; E231-M347 PolarHBondContact N-O 3.37Å; T232-M347 WeakPolarHBondContact O-CA 3.45Å; T232-M347 WeakPolarHBondContact O-CB 3.38Å; T232-M347 WeakPolarHBondContact O-CG 3.35Å; T232-M347 PolarHBondContact O-N 3.08Å; I234-M347 HydrophobicContact CB-CG 4.47Å; I234-M347 HydrophobicContact CD1-CE 4.33Å; I234-M347 HydrophobicContact CD1-CG 3.46Å; I234-M347 VanDerWaalsContact CD1-CG 3.46Å; I234-M347 HydrophobicContact CD1-SD 3.8Å; I234-M347 HydrophobicContact CG1-CG 3.72Å; L245-M347 HydrophobicContact CD2-SD 4.33Å; R246-M347 VanDerWaalsContact O-CE 3.32Å; R246-M347 WeakPolarHBondContact O-CE 3.37Å; W248-M347 HydrophobicContact CE3-CE 4.29Å; W248-M347 HydrophobicContact CH2-CE 4.16Å; W248-M347 HydrophobicContact CZ2-CE 4.47Å; W248-M347 HydrophobicContact CZ3-CE 4.05Å; I345-M347 HydrophobicContact CG2-CG 4.47Å; I345-M347 HydrophobicContact CG2-SD 3.81Å; M347-T352 HydrophobicContact CE-CG2 3.99Å; M347-T352 HydrophobicContact SD-CG2 3.62Å
348T93.3Very high94.2Very high31 Ų3134.1 Ų34.119%0.1917%0.171CC..  trans-67.1152.2173.384.60000110.8N346 H350 T351 T352N346-T348 VanDerWaalsContact C-N 3.29Å; N346-T348 WeakPolarHBondContact ND2-CG2 3.04Å; N346-T348 PolarHBondContact O-N 3.23Å; N346-T348 VanDerWaalsContact OD1-CG2 3.27Å; N346-T348 WeakPolarHBondContact OD1-CG2 3.23Å; T348-H350 VanDerWaalsContact C-N 3.26Å; T348-H350 PolarHBondContact O-N 3.14Å; T348-T351 PolarHBondContact O-N 3.45Å; T348-T351 WeakPolarHBondContact OG1-CB 3.48Å; T348-T351 WeakPolarHBondContact OG1-CG2 3.41Å; T348-T351 PolarHBondContact OG1-N 2.71Å; T348-T351 PolarHBondContact OG1-OG1 2.64Å; T348-T352 PolarHBondContact O-N 2.89Å; T348-T352 VanDerWaalsContact O-N 3.13Å
349N92.4Very high94.1Very high30 Ų3037.9 Ų37.916%0.1619%0.191CC..THydrogen-bonded Turntrans-63-26.7-175.560.1-7.2000114.5Q228Q228-N349 HydrophobicContact CB-CB 4.09Å; Q228-N349 WeakPolarHBondContact CG-O 3.42Å
350H91.4Very high94Very high135 Ų13536.3 Ų36.363%0.62518%0.179SC*.THydrogen-bonded Turntrans-100.4-20.2-176.2-58.2-48.9000113.4T348T348-H350 VanDerWaalsContact C-N 3.26Å; T348-H350 PolarHBondContact O-N 3.14Å
351T94.6Very high94Very high29 Ų2940.6 Ų40.618%0.17820%0.2CC..THydrogen-bonded Turntrans-104-26.3-174.868.50000113Q280 E282 T348Q280-T351 WeakPolarHBondContact CG-O 3.13Å; Q280-T351 PolarHBondContact NE2-O 3.25Å; E282-T351 WeakPolarHBondContact CB-OG1 3.49Å; E282-T351 VanDerWaalsContact CD-CB 3.45Å; E282-T351 VanDerWaalsContact CD-OG1 3.27Å; E282-T351 VanDerWaalsContact OE2-CB 3.23Å; E282-T351 WeakPolarHBondContact OE2-CB 3.41Å; E282-T351 PolarHBondContact OE2-OG1 3.37Å; T348-T351 PolarHBondContact O-N 3.45Å; T348-T351 WeakPolarHBondContact OG1-CB 3.48Å; T348-T351 WeakPolarHBondContact OG1-CG2 3.41Å; T348-T351 PolarHBondContact OG1-N 2.71Å; T348-T351 PolarHBondContact OG1-OG1 2.64Å
352T97.4Very high93.7Very high0 Ų036.5 Ų36.50%019%0.187CC..SBendtrans-125.2117.9177.8-64.80000111.6G229 W248 Q280 V281 E282 N346 M347 T348G229-T352 PolarHBondContact N-O 2.86Å; W248-T352 HydrophobicContact CH2-CG2 3.97Å; W248-T352 HydrophobicContact CZ3-CG2 4.15Å; Q280-T352 CarbonylContact O-C 3.56Å; Q280-T352 VanDerWaalsContact O-CA 3.31Å; Q280-T352 WeakPolarHBondContact O-CA 3.29Å; V281-T352 HydrophobicContact CG1-CG2 4.48Å; E282-T352 PolarHBondContact N-OG1 2.98Å; N346-T352 WeakPolarHBondContact O-CB 3.4Å; N346-T352 PolarHBondContact O-OG1 3.14Å; M347-T352 HydrophobicContact CE-CG2 3.99Å; M347-T352 HydrophobicContact SD-CG2 3.62Å; T348-T352 PolarHBondContact O-N 2.89Å; T348-T352 VanDerWaalsContact O-N 3.13Å
353F97.9Very high93.3Very high29 Ų2936.1 Ų36.113%0.12720%0.197CC..EExtended strand (participates in β ladder)trans-151.9155.6-176.452.4-101.3000113.1H226 L227 Y278 S279 Q280 Y321H226-F353 AromaticContact CE1-CG 3.91Å; L227-F353 CarbonylContact O-C 3.59Å; L227-F353 WeakPolarHBondContact O-CA 3.31Å; L227-F353 WeakPolarHBondContact O-CB 3.45Å; Y278-F353 HydrophobicContact CD2-CD2 4.1Å; Y278-F353 AromaticContact CD2-CE2 3.99Å; Y278-F353 HydrophobicContact CD2-CE2 3.99Å; Y278-F353 HydrophobicContact CE2-CD2 4.01Å; Y278-F353 HydrophobicContact CE2-CE2 4.16Å; S279-F353 WeakPolarHBondContact CA-O 3.3Å; Q280-F353 HydrophobicContact CB-CD1 4.04Å; Q280-F353 HydrophobicContact CB-CD2 3.95Å; Q280-F353 HydrophobicContact CB-CE1 3.58Å; Q280-F353 HydrophobicContact CB-CE2 3.47Å; Q280-F353 VanDerWaalsContact CB-CE2 3.47Å; Q280-F353 HydrophobicContact CB-CG 4.22Å; Q280-F353 HydrophobicContact CB-CZ 3.27Å; Q280-F353 HydrophobicContact CG-CE1 4.2Å; Q280-F353 HydrophobicContact CG-CZ 4.07Å; Q280-F353 PolarHBondContact N-O 2.94Å; Q280-F353 PolarHBondContact O-N 3.45Å; Q280-F353 VanDerWaalsContact O-O 3.14Å; Y321-F353 HydrophobicContact CD2-CE2 4.17Å; Y321-F353 HydrophobicContact CD2-CZ 4.25Å; Y321-F353 HydrophobicContact CE2-CE2 4.08Å; Y321-F353 HydrophobicContact CE2-CZ 4.42Å
354L98.3Very high92.3Very high0 Ų041.5 Ų41.50%024%0.235CC..EExtended strand (participates in β ladder)trans-131.1134.5171.8173.963.3000108.6L227 W248 I277 I334 I336L227-L354 WeakPolarHBondContact CA-O 3.37Å; L227-L354 HydrophobicContact CB-CB 4.41Å; L227-L354 VanDerWaalsContact CB-O 3.24Å; L227-L354 WeakPolarHBondContact CB-O 3.27Å; L227-L354 HydrophobicContact CD1-CB 4.05Å; L227-L354 HydrophobicContact CD1-CD2 3.92Å; L227-L354 HydrophobicContact CD1-CG 4.01Å; L227-L354 WeakPolarHBondContact CG-O 3.43Å; L227-L354 PolarHBondContact N-O 2.65Å; L227-L354 PolarHBondContact O-N 3.27Å; W248-L354 HydrophobicContact CH2-CB 4.03Å; W248-L354 HydrophobicContact CZ2-CB 4.16Å; W248-L354 HydrophobicContact CZ3-CB 4.32Å; I277-L354 HydrophobicContact CG2-CD1 4.49Å; I334-L354 HydrophobicContact CG2-CD1 4.31Å; I336-L354 HydrophobicContact CD1-CB 4Å; I336-L354 HydrophobicContact CD1-CD1 4.15Å; I336-L354 HydrophobicContact CD1-CG 4.45Å; I336-L354 HydrophobicContact CG1-CD1 4.19Å; I336-L354 HydrophobicContact CG1-CD2 4.42Å
355G98.1Very high90.7Very high0 Ų044.7 Ų44.70%027%0.266CS..EExtended strand (participates in β ladder)trans-148.4163175.600000113.9V225 Y278V225-G355 CarbonylContact O-C 3.56Å; V225-G355 WeakPolarHBondContact O-CA 3.49Å; Y278-G355 PolarHBondContact N-O 3.08Å; Y278-G355 PolarHBondContact O-N 3.31Å
356S98.2Very high88.7Confident0 Ų047.4 Ų47.40%029%0.294CS..EExtended strand (participates in β ladder)trans-150.6149.6175.8-173.90000111.9V224 V225 F276V224-S356 WeakPolarHBondContact CA-O 3.37Å; V225-S356 PolarHBondContact N-O 3.31Å; V225-S356 PolarHBondContact O-N 2.95Å; F276-S356 CarbonylContact O-C 3.51Å; F276-S356 WeakPolarHBondContact O-CA 3.34Å; F276-S356 WeakPolarHBondContact O-CB 3.41Å; F276-S356 PolarHBondContact O-OG 3.3Å
357V97.8Very high86.5Confident28 Ų2855.9 Ų55.917%0.1733%0.333CS..EExtended strand (participates in β ladder)trans-126.6122.7175.5-1750000108.8P222 A223 V224 Y275 F276 L359P222-V357 HydrophobicContact CB-CG1 4.19Å; A223-V357 CarbonylContact O-C 3.56Å; A223-V357 WeakPolarHBondContact O-CA 3.47Å; V224-V357 HydrophobicContact CG1-CG2 4.23Å; V224-V357 HydrophobicContact CG2-CG1 4.1Å; V224-V357 HydrophobicContact CG2-CG2 4.14Å; Y275-V357 CarbonylContact C-O 3.46Å; Y275-V357 WeakPolarHBondContact CA-O 3.47Å; F276-V357 HydrophobicContact CB-CB 4.37Å; F276-V357 HydrophobicContact CD1-CG2 4.44Å; F276-V357 PolarHBondContact N-O 2.77Å; F276-V357 PolarHBondContact O-N 3.42Å; V357-L359 HydrophobicContact CB-CD2 4.42Å; V357-L359 HydrophobicContact CG1-CD2 3.94Å; V357-L359 PolarHBondContact O-N 3.46Å
358R96.8Very high84Confident29 Ų2963.8 Ų63.811%0.10938%0.375CS..EExtended strand (participates in β ladder)trans-78.8110.6168.1-170.7-179.3177-111.1-2.1108.3F220 P222 A223 V257 D272 Y275F220-R358 HydrophobicContact CZ-CG 4.23Å; F220-R358 WeakPolarHBondContact CZ-O 3.39Å; P222-R358 WeakPolarHBondContact CA-O 3.42Å; A223-R358 HydrophobicContact CB-CB 4.24Å; A223-R358 PolarHBondContact O-N 3.46Å; V257-R358 HydrophobicContact CG1-CB 4.01Å; V257-R358 HydrophobicContact CG1-CG 4.38Å; D272-R358 PolarHBondContact O-NE 2.88Å; D272-R358 VanDerWaalsContact O-NE 3.13Å; D272-R358 PolarHBondContact O-NH2 3.31Å; Y275-R358 HydrophobicContact CD1-CB 4.03Å; Y275-R358 HydrophobicContact CD1-CG 4.43Å; Y275-R358 HydrophobicContact CE1-CB 3.64Å; Y275-R358 HydrophobicContact CE1-CG 3.9Å; Y275-R358 HydrophobicContact CE2-CG 4.19Å; Y275-R358 WeakPolarHBondContact OH-CD 3.2Å
359L94.9Very high81.3Confident89 Ų8969.2 Ų69.247%0.46644%0.437SS..EExtended strand (participates in β ladder)trans-84.9-29.1-174.9-62.2177000113.2F220 V274 F276 V357F220-L359 WeakPolarHBondContact CE1-O 3.36Å; F220-L359 WeakPolarHBondContact CZ-O 3.3Å; V274-L359 HydrophobicContact CB-CB 4.46Å; V274-L359 HydrophobicContact CG1-CB 4.49Å; V274-L359 HydrophobicContact CG1-CD1 4.22Å; V274-L359 PolarHBondContact O-N 2.9Å; F276-L359 HydrophobicContact CB-CD1 4.1Å; F276-L359 HydrophobicContact CB-CD2 4.47Å; F276-L359 HydrophobicContact CB-CG 4.3Å; V357-L359 HydrophobicContact CB-CD2 4.42Å; V357-L359 HydrophobicContact CG1-CD2 3.94Å; V357-L359 PolarHBondContact O-N 3.46Å
360G90.8Very high80.7Confident16 Ų1671.2 Ų71.217%0.16545%0.451CS..EExtended strand (participates in β ladder)trans-178.1179.7-173.900000112.7F220 G273 V274F220-G360 VanDerWaalsContact CE2-CA 3.49Å; G273-G360 WeakPolarHBondContact CA-O 3.34Å; V274-G360 PolarHBondContact N-O 3.44Å
361E90.6Very high80.2Confident150 Ų15067.8 Ų67.870%0.70144%0.442SS*.PPolyproline II helixtrans-67.8150.3164.9-64.7-175.3170.400110.2
362A83.1Confident79.4Confident37 Ų3770 Ų7031%0.30646%0.457SS..PPolyproline II helixtrans-67.4135.2173.200000108.6L327 S364L327-A362 HydrophobicContact CD2-CB 4.01Å; A362-S364 PolarHBondContact O-N 3.49Å; A362-S364 VanDerWaalsContact O-N 3.14Å
363P80Confident78.3Confident94 Ų9474.1 Ų74.161%0.6148%0.484SS*.PPolyproline II helixtrans-54.4124.7170.219.5-29.9000108.8L327 A365L327-P363 HydrophobicContact CD2-CG 3.94Å; P363-A365 PolarHBondContact O-N 3.09Å; P363-A365 VanDerWaalsContact O-N 3.16Å
364S70Confident77.1Confident115 Ų11576.9 Ų76.980%0.80451%0.506SS*.PPolyproline II helixtrans-55.3121.5171.612.10000107.4A362 G366A362-S364 PolarHBondContact O-N 3.49Å; A362-S364 VanDerWaalsContact O-N 3.14Å; S364-G366 PolarHBondContact O-N 3.36Å
365A58Low75.7Confident103 Ų10382.1 Ų82.185%0.85154%0.54SS*.  trans-53.4113.6168.500000106.8P363 Q367P363-A365 PolarHBondContact O-N 3.09Å; P363-A365 VanDerWaalsContact O-N 3.16Å; A365-Q367 PolarHBondContact O-N 3.3Å
366G50.6Low74.1Confident56 Ų5687.9 Ų87.958%0.57758%0.578SS**  trans-55.7135.6-165.700000112.4S364 N368S364-G366 PolarHBondContact O-N 3.36Å; G366-N368 PolarHBondContact O-N 3.13Å
367Q47.9Very low72.2Confident202 Ų20294.7 Ų94.794%0.94462%0.623SS**  trans-53.596.6140.7-81.2172.8-38.400107A365 G369A365-Q367 PolarHBondContact O-N 3.3Å; Q367-G369 PolarHBondContact O-N 3.18Å
368N41.4Very low70.1Confident166 Ų166100.3 Ų100.389%0.88866%0.661SS**  trans-77.698.8157.7-74.4-11.4000105.8G366G366-N368 PolarHBondContact O-N 3.13Å
369G37.1Very low67.7Low146 Ų146106.7 Ų106.7100%1.50571%0.711SS**  trans-88.50166.800000111.3Q367Q367-G369 PolarHBondContact O-N 3.18Å

Retrieved 369 of 369 residues in 259.9 ms (Link to these results)