A0A087YCV2_POEFO Loading...

Fibulin 7

AlphaFold DB , UniProt , Accession A0A087YCV2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 443 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.9Very low40.6Very low223 Ų223132.7 Ų132.7100%1.09970%0.7SS**  0-20.80-97.1177.1161.100115
2A33.9Very low40.9Very low83 Ų83132.4 Ų132.469%0.68670%0.698SS**THydrogen-bonded Turntrans-79-12.4178.900000115.9
3L34.3Very low41.2Very low159 Ų159132.2 Ų132.283%0.83270%0.697SS**Hα-helixtrans-81.7-20.7177.7-93.192.6000114.2
4S38Very low41.6Very low71 Ų71129.2 Ų129.250%0.49769%0.691SS.*Hα-helixtrans-81.6-22.1-178.269.30000113.6
5L36.8Very low41.7Very low133 Ų133129.6 Ų129.670%0.69669%0.692SS**Hα-helixtrans-77.1-36.3176.7-103.582.8000112.9S7 R8 C9L5-S7 PolarHBondContact O-N 3.49Å; L5-R8 PolarHBondContact O-N 3.24Å; L5-C9 PolarHBondContact O-N 2.83Å
6R42.8Very low41.9Very low206 Ų206128.9 Ų128.978%0.77769%0.694SS**Hα-helixtrans-67.7-34.5179.7-79.9-171.8173.5-167.4-1.6112.9L10R6-L10 PolarHBondContact O-N 3.11Å
7S39Very low42Very low80 Ų80126.3 Ų126.356%0.55969%0.694SS**Hα-helixtrans-67.7-35177.6-1670000112.2L5 V11L5-S7 PolarHBondContact O-N 3.49Å; S7-V11 WeakPolarHBondContact O-CG2 3.44Å
8R41.7Very low42.3Very low201 Ų201125.7 Ų125.776%0.75870%0.695SS**Hα-helixtrans-75.2-29.6178.6-71.5-174.3174.9-161.4-1.4114L5L5-R8 PolarHBondContact O-N 3.24Å
9C41.8Very low42.3Very low89 Ų89129.3 Ų129.360%0.60171%0.705SS**Hα-helixtrans-71.6-35.5175-990000113.3L5 L12 L13L5-C9 PolarHBondContact O-N 2.83Å; C9-L12 PolarHBondContact O-N 3.02Å; C9-L13 PolarHBondContact O-N 3.09Å
10L46.5Very low42.1Very low126 Ų126129.1 Ų129.166%0.6671%0.713SS**Hα-helixtrans-70.1-32.7178.2-103.4108.7000113R6R6-L10 PolarHBondContact O-N 3.11Å
11V48.5Very low41.8Very low89 Ų89126.3 Ų126.354%0.53971%0.713SS.*Hα-helixtrans-71.5-32.9178.2176.50000111.6S7 C14S7-V11 WeakPolarHBondContact O-CG2 3.44Å; V11-C14 PolarHBondContact O-N 3.34Å
12L43.9Very low41.7Very low129 Ų129125 Ų12568%0.67570%0.704SS**Hα-helixtrans-70.5-33.3176.9-115.890.2000113.2C9 C14 L15C9-L12 PolarHBondContact O-N 3.02Å; L12-C14 VanDerWaalsContact C-N 3.31Å; L12-C14 PolarHBondContact O-N 2.93Å; L12-L15 PolarHBondContact O-N 2.99Å
13L44.7Very low41.8Very low130 Ų130125.5 Ų125.568%0.68171%0.708SS**Hα-helixtrans-71.4-23.4177.2-95.7148.6000113.3C9 T16C9-L13 PolarHBondContact O-N 3.09Å; L13-T16 PolarHBondContact O-OG1 3.35Å
14C46.5Very low42Very low90 Ų90122.7 Ų122.761%0.60871%0.708SS**Hα-helixtrans-82.4-20.6177-73.20000113.6V11 L12V11-C14 PolarHBondContact O-N 3.34Å; L12-C14 VanDerWaalsContact C-N 3.31Å; L12-C14 PolarHBondContact O-N 2.93Å
15L42.7Very low42.4Very low135 Ų135127.5 Ų127.571%0.70773%0.727SS**Hα-helixtrans-83.2-15.7-178.8-83.3159000113.6L12L12-L15 PolarHBondContact O-N 2.99Å
16T44.8Very low42.8Very low118 Ų118130 Ų13072%0.72474%0.735SS**THydrogen-bonded Turntrans-91.5-2.9178.353.80000114.1L13L13-T16 PolarHBondContact O-OG1 3.35Å
17A45Very low43.1Very low85 Ų85125.9 Ų125.970%0.70274%0.738SS**SBendtrans-102.211-176.600000114.6
18V46.6Very low43.7Very low116 Ų116127.8 Ų127.870%0.70375%0.75SS**SBendtrans-119.855.1178.3-165.80000110.4
19H43.4Very low44.2Very low193 Ų193123.5 Ų123.589%0.89474%0.74SS**  trans-147.1106.7157.4-104.956.4000107.9
20C36.5Very low45.4Very low126 Ų126123.8 Ų123.885%0.85174%0.735SS**  trans-13899.9164.4-156.70000108.3
21G36.7Very low46Very low70 Ų70125.9 Ų125.972%0.72274%0.739SS**  trans-91.2129.2160.500000109
22H40.8Very low46.8Very low196 Ų196128.8 Ų128.891%0.90775%0.747SS**SBendtrans21.3101.8159-83.671.2000118.8
23A36Very low47.7Very low93 Ų93127.6 Ų127.677%0.76974%0.737SS**  158.5139.9114.900000111.4
24A38.6Very low48.9Very low101 Ų101124.8 Ų124.884%0.83573%0.725SS**SBendtrans75.192.4167.600000119.3
25L46.4Very low50.1Low171 Ų171123.4 Ų123.490%0.89571%0.714SS**  trans49.181.2135.1-141.494.2000119.8
26Q45.7Very low51.7Low187 Ų187118.7 Ų118.787%0.87470%0.698SS**  trans-164.7135.2134.4-117.5160.8-22.300111.8C28Q26-C28 PolarHBondContact O-N 3.45Å; Q26-C28 VanDerWaalsContact O-N 3.11Å
27S50.3Low53.1Low118 Ų118116.7 Ų116.783%0.82569%0.686SS**  trans-40.8105-177.8164.70000114.6M29S27-M29 PolarHBondContact O-N 3.15Å
28C49.6Very low54.3Low120 Ų120117.8 Ų117.881%0.81168%0.679SS**PPolyproline II helixtrans-74.2121.2166.8-66.30000110Q26Q26-C28 PolarHBondContact O-N 3.45Å; Q26-C28 VanDerWaalsContact O-N 3.11Å
29M53.6Low55.7Low111 Ų111120.5 Ų120.555%0.54768%0.676SS.*PPolyproline II helixtrans-67.2134.9173.7-66.9-165.876.900110.5S27 Q33 V34S27-M29 PolarHBondContact O-N 3.15Å; M29-Q33 HydrophobicContact CE-CB 3.9Å; M29-Q33 HydrophobicContact CE-CG 4.36Å; M29-V34 HydrophobicContact CB-CG2 4.38Å
30D65.9Low57.2Low96 Ų96118 Ų11851%0.51367%0.666SS.*PPolyproline II helixtrans-59.9145.2179.6178.631.7000111.3H32 Q33 V34D30-H32 PolarHBondContact O-N 3.49Å; D30-H32 VanDerWaalsContact O-N 3.09Å; D30-H32 WeakPolarHBondContact OD2-CB 3.39Å; D30-H32 IonicContact OD2-CD2 3.88Å; D30-H32 IonicContact OD2-CG 2.61Å; D30-Q33 WeakPolarHBondContact O-CA 3.34Å; D30-Q33 WeakPolarHBondContact O-CB 3.41Å; D30-Q33 PolarHBondContact O-N 2.98Å; D30-V34 PolarHBondContact O-N 3.03Å
31K60Low58.9Low169 Ų169117.5 Ų117.574%0.73565%0.652SS**Hα-helixtrans-55.3-32.1-178.4-173.1177.8178.61800111.5V35K31-V35 WeakPolarHBondContact O-CG2 3.46Å; K31-V35 PolarHBondContact O-N 3.34Å
32H64.3Low60.7Low151 Ų151119.1 Ų119.170%0.69964%0.641SS**Hα-helixtrans-69.3-32.8174.5-75-93.4000113.4D30 G36D30-H32 PolarHBondContact O-N 3.49Å; D30-H32 VanDerWaalsContact O-N 3.09Å; D30-H32 WeakPolarHBondContact OD2-CB 3.39Å; D30-H32 IonicContact OD2-CD2 3.88Å; D30-H32 IonicContact OD2-CG 2.61Å; H32-G36 PolarHBondContact O-N 3.23Å
33Q63.1Low62.3Low103 Ų103117.6 Ų117.648%0.48163%0.631SS.*Hα-helixtrans-70-41.3175.6-74.3-175.8-30.200111.8M29 D30 V35 G36 V37M29-Q33 HydrophobicContact CE-CB 3.9Å; M29-Q33 HydrophobicContact CE-CG 4.36Å; D30-Q33 WeakPolarHBondContact O-CA 3.34Å; D30-Q33 WeakPolarHBondContact O-CB 3.41Å; D30-Q33 PolarHBondContact O-N 2.98Å; Q33-V35 PolarHBondContact O-N 3.47Å; Q33-G36 WeakPolarHBondContact O-CA 3.38Å; Q33-G36 PolarHBondContact O-N 3.42Å; Q33-G36 VanDerWaalsContact O-N 3.15Å; Q33-V37 WeakPolarHBondContact O-CG2 3.39Å; Q33-V37 PolarHBondContact O-N 3.46Å
34V69.3Low64.2Low71 Ų71119 Ų11943%0.4362%0.62SS.*Hα-helixtrans-64.2-42178.1-179.70000111.3M29 D30 G36 V37 L38M29-V34 HydrophobicContact CB-CG2 4.38Å; D30-V34 PolarHBondContact O-N 3.03Å; V34-G36 VanDerWaalsContact C-N 3.29Å; V34-G36 PolarHBondContact O-N 3.44Å; V34-V37 PolarHBondContact O-N 3.48Å; V34-L38 HydrophobicContact CG1-CD1 4.24Å; V34-L38 WeakPolarHBondContact O-CG 3.45Å; V34-L38 PolarHBondContact O-N 2.88Å
35V72.4Confident65.6Low62 Ų62119.1 Ų119.138%0.37661%0.607SS.*Hα-helixtrans-65.1-35.2174.3175.10000111.4K31 Q33 R39K31-V35 WeakPolarHBondContact O-CG2 3.46Å; K31-V35 PolarHBondContact O-N 3.34Å; Q33-V35 PolarHBondContact O-N 3.47Å; V35-R39 WeakPolarHBondContact O-CB 3.48Å; V35-R39 WeakPolarHBondContact O-CG 3.4Å; V35-R39 PolarHBondContact O-N 3.17Å
36G76.8Confident67Low35 Ų35116.2 Ų116.236%0.36159%0.587SS.*Hα-helixtrans-60.8-49.317300000112.6H32 Q33 V34 R39 Q40H32-G36 PolarHBondContact O-N 3.23Å; Q33-G36 WeakPolarHBondContact O-CA 3.38Å; Q33-G36 PolarHBondContact O-N 3.42Å; Q33-G36 VanDerWaalsContact O-N 3.15Å; V34-G36 VanDerWaalsContact C-N 3.29Å; V34-G36 PolarHBondContact O-N 3.44Å; G36-R39 PolarHBondContact O-N 3.07Å; G36-Q40 WeakPolarHBondContact O-CB 3.48Å; G36-Q40 PolarHBondContact O-N 3.39Å
37V73.1Confident68.4Low77 Ų77108.6 Ų108.647%0.46756%0.558SS.*Hα-helixtrans-63.2-43.2178.41750000111.3Q33 V34 R39 Q40 M41Q33-V37 WeakPolarHBondContact O-CG2 3.39Å; Q33-V37 PolarHBondContact O-N 3.46Å; V34-V37 PolarHBondContact O-N 3.48Å; V37-R39 PolarHBondContact O-N 3.46Å; V37-Q40 WeakPolarHBondContact O-CB 3.4Å; V37-Q40 PolarHBondContact O-N 2.9Å; V37-M41 WeakPolarHBondContact O-CB 3.45Å; V37-M41 PolarHBondContact O-N 3.26Å
38L71.9Confident69.2Low108 Ų108107.9 Ų107.957%0.56554%0.542SS*.Hα-helixtrans-62.6-42.3177.3-73.6171.1000112.3V34 Q40 M41 E42V34-L38 HydrophobicContact CG1-CD1 4.24Å; V34-L38 WeakPolarHBondContact O-CG 3.45Å; V34-L38 PolarHBondContact O-N 2.88Å; L38-Q40 VanDerWaalsContact C-N 3.3Å; L38-Q40 PolarHBondContact O-N 3.47Å; L38-M41 PolarHBondContact O-N 2.93Å; L38-E42 WeakPolarHBondContact O-CB 3.5Å; L38-E42 PolarHBondContact O-N 2.89Å
39R75.2Confident70.4Confident172 Ų172108.3 Ų108.365%0.64953%0.532SS*.Hα-helixtrans-64.5-35.2174.5-76.6179.5177.1175.10.5112.3V35 G36 V37 K43V35-R39 WeakPolarHBondContact O-CB 3.48Å; V35-R39 WeakPolarHBondContact O-CG 3.4Å; V35-R39 PolarHBondContact O-N 3.17Å; G36-R39 PolarHBondContact O-N 3.07Å; V37-R39 PolarHBondContact O-N 3.46Å; R39-K43 WeakPolarHBondContact O-CG 3.4Å; R39-K43 PolarHBondContact O-N 3.18Å
40Q75.6Confident71.3Confident142 Ų142108.5 Ų108.566%0.66453%0.534SS*.Hα-helixtrans-70.6-39177.8-156.5173.66.100111.4G36 V37 L38 K43 F44G36-Q40 WeakPolarHBondContact O-CB 3.48Å; G36-Q40 PolarHBondContact O-N 3.39Å; V37-Q40 WeakPolarHBondContact O-CB 3.4Å; V37-Q40 PolarHBondContact O-N 2.9Å; L38-Q40 VanDerWaalsContact C-N 3.3Å; L38-Q40 PolarHBondContact O-N 3.47Å; Q40-K43 PolarHBondContact O-N 2.93Å; Q40-F44 WeakPolarHBondContact O-CB 3.33Å; Q40-F44 PolarHBondContact O-N 2.71Å
41M71.3Confident71.6Confident115 Ų115113 Ų11357%0.56754%0.544SS*.Hα-helixtrans-70.1-37.6176.5-159.6154137.200111.9V37 L38 F44 L45V37-M41 WeakPolarHBondContact O-CB 3.45Å; V37-M41 PolarHBondContact O-N 3.26Å; L38-M41 PolarHBondContact O-N 2.93Å; M41-F44 WeakPolarHBondContact O-CB 3.5Å; M41-F44 PolarHBondContact O-N 3.41Å; M41-L45 WeakPolarHBondContact O-CB 3.5Å; M41-L45 WeakPolarHBondContact O-CG 3.46Å; M41-L45 PolarHBondContact O-N 3.16Å
42E75.4Confident72.2Confident103 Ų103111.9 Ų111.948%0.48154%0.539SS..Hα-helixtrans-64.5-42.2172.4-163.8-166.9152.500111.8L38 F44 L45 K46L38-E42 WeakPolarHBondContact O-CB 3.5Å; L38-E42 PolarHBondContact O-N 2.89Å; E42-F44 VanDerWaalsContact C-N 3.32Å; E42-F44 PolarHBondContact O-N 3.48Å; E42-L45 PolarHBondContact O-N 3.07Å; E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 WeakPolarHBondContact O-CG 3.5Å; E42-K46 PolarHBondContact O-N 3.41Å; E42-K46 IonicContact OE1-NZ 3.57Å; E42-K46 PolarHBondContact OE1-NZ 2.9Å
43K73.7Confident72.8Confident164 Ų164108.4 Ų108.471%0.71353%0.529SS*.Hα-helixtrans-62.4-38.8172.7-78.6-178.4179-176.30112R39 Q40 G47R39-K43 WeakPolarHBondContact O-CG 3.4Å; R39-K43 PolarHBondContact O-N 3.18Å; Q40-K43 PolarHBondContact O-N 2.93Å; K43-G47 PolarHBondContact O-N 2.93Å
44F75.2Confident73.5Confident123 Ų123107.2 Ų107.254%0.53952%0.523SS..Hα-helixtrans-65.8-45.4176.6-178.9-97.3000112Q40 M41 E42 G47 Q48Q40-F44 WeakPolarHBondContact O-CB 3.33Å; Q40-F44 PolarHBondContact O-N 2.71Å; M41-F44 WeakPolarHBondContact O-CB 3.5Å; M41-F44 PolarHBondContact O-N 3.41Å; E42-F44 VanDerWaalsContact C-N 3.32Å; E42-F44 PolarHBondContact O-N 3.48Å; F44-G47 WeakPolarHBondContact O-CA 3.5Å; F44-G47 PolarHBondContact O-N 3.41Å; F44-Q48 HydrophobicContact CD1-CG 4.24Å; F44-Q48 HydrophobicContact CE1-CG 3.87Å; F44-Q48 HydrophobicContact CZ-CG 4.11Å; F44-Q48 WeakPolarHBondContact O-CG 3.42Å; F44-Q48 PolarHBondContact O-N 2.94Å
45L68.8Low74Confident104 Ų104105.1 Ų105.155%0.54552%0.515SS..Hα-helixtrans-64.5-43.3177.5-71.5170000111.9M41 E42 G47 Q48 E49M41-L45 WeakPolarHBondContact O-CB 3.5Å; M41-L45 WeakPolarHBondContact O-CG 3.46Å; M41-L45 PolarHBondContact O-N 3.16Å; E42-L45 PolarHBondContact O-N 3.07Å; L45-G47 VanDerWaalsContact C-N 3.29Å; L45-G47 PolarHBondContact O-N 3.01Å; L45-Q48 PolarHBondContact O-N 3.43Å; L45-Q48 VanDerWaalsContact O-N 3.16Å; L45-E49 PolarHBondContact O-N 3.33Å
46K74.9Confident74.2Confident110 Ų110106.6 Ų106.648%0.47852%0.521SS..Hα-helixtrans-60.4-38.9171.6-79.6173.6170.8163.40111.8E42 E49 I50E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 WeakPolarHBondContact O-CG 3.5Å; E42-K46 PolarHBondContact O-N 3.41Å; E42-K46 IonicContact OE1-NZ 3.57Å; E42-K46 PolarHBondContact OE1-NZ 2.9Å; K46-E49 PolarHBondContact O-N 3.38Å; K46-I50 WeakPolarHBondContact O-CD1 3.46Å; K46-I50 VanDerWaalsContact O-CG1 3.23Å; K46-I50 WeakPolarHBondContact O-CG1 3.37Å; K46-I50 PolarHBondContact O-N 3.41Å
47G76Confident74.4Confident27 Ų27112.9 Ų112.928%0.27853%0.534SS..Hα-helixtrans-63.8-38.6173.800000113.4K43 F44 L45 R51K43-G47 PolarHBondContact O-N 2.93Å; F44-G47 WeakPolarHBondContact O-CA 3.5Å; F44-G47 PolarHBondContact O-N 3.41Å; L45-G47 VanDerWaalsContact C-N 3.29Å; L45-G47 PolarHBondContact O-N 3.01Å; G47-R51 WeakPolarHBondContact O-CG 3.44Å; G47-R51 PolarHBondContact O-N 3.48Å; G47-R51 VanDerWaalsContact O-N 3.07Å
48Q67.4Low74.8Confident103 Ų103113.2 Ų113.248%0.48153%0.532SS..Hα-helixtrans-68.8-39.8175.3-69.4-126-33.500112.1F44 L45 R51 F52F44-Q48 HydrophobicContact CD1-CG 4.24Å; F44-Q48 HydrophobicContact CE1-CG 3.87Å; F44-Q48 HydrophobicContact CZ-CG 4.11Å; F44-Q48 WeakPolarHBondContact O-CG 3.42Å; F44-Q48 PolarHBondContact O-N 2.94Å; L45-Q48 PolarHBondContact O-N 3.43Å; L45-Q48 VanDerWaalsContact O-N 3.16Å; Q48-R51 PolarHBondContact O-N 3.24Å; Q48-F52 WeakPolarHBondContact O-CB 3.35Å; Q48-F52 PolarHBondContact O-N 2.91Å
49E73.6Confident74.9Confident128 Ų128114 Ų11460%0.59853%0.534SS*.Hα-helixtrans-63.4-41.9175.9-171.4174.9-171.600112L45 K46 F52 T53L45-E49 PolarHBondContact O-N 3.33Å; K46-E49 PolarHBondContact O-N 3.38Å; E49-F52 PolarHBondContact O-N 3.37Å; E49-T53 WeakPolarHBondContact O-CB 3.23Å; E49-T53 WeakPolarHBondContact O-CG2 3.47Å; E49-T53 PolarHBondContact O-N 2.87Å; E49-T53 PolarHBondContact O-OG1 2.89Å
50I73.7Confident75.1Confident115 Ų115113.3 Ų113.359%0.5954%0.536SS*.Hα-helixtrans-64.5-41.8174.6-66.7165.1000111.2K46 T53 E54K46-I50 WeakPolarHBondContact O-CD1 3.46Å; K46-I50 VanDerWaalsContact O-CG1 3.23Å; K46-I50 WeakPolarHBondContact O-CG1 3.37Å; K46-I50 PolarHBondContact O-N 3.41Å; I50-T53 VanDerWaalsContact CA-OG1 3.32Å; I50-T53 WeakPolarHBondContact CA-OG1 3.45Å; I50-T53 PolarHBondContact O-OG1 3.3Å; I50-E54 WeakPolarHBondContact O-CB 3.47Å; I50-E54 PolarHBondContact O-N 2.76Å
51R72.2Confident75.4Confident191 Ų191110.4 Ų110.472%0.72153%0.531SS*.Hα-helixtrans-67.6-36.9176.4-72.7-179.4-162.5175.14.9112.6G47 Q48 G55G47-R51 WeakPolarHBondContact O-CG 3.44Å; G47-R51 PolarHBondContact O-N 3.48Å; G47-R51 VanDerWaalsContact O-N 3.07Å; Q48-R51 PolarHBondContact O-N 3.24Å; R51-G55 PolarHBondContact O-N 2.97Å
52F72.9Confident75.9Confident145 Ų145111.7 Ų111.764%0.63653%0.534SS*.Hα-helixtrans-67.9-44.5177.8-173.8-99.7000111.3Q48 E49 G55 L56Q48-F52 WeakPolarHBondContact O-CB 3.35Å; Q48-F52 PolarHBondContact O-N 2.91Å; E49-F52 PolarHBondContact O-N 3.37Å; F52-G55 PolarHBondContact O-N 3.31Å; F52-L56 HydrophobicContact CD1-CD1 4.05Å; F52-L56 HydrophobicContact CE1-CD1 3.46Å; F52-L56 VanDerWaalsContact CE1-CD1 3.46Å; F52-L56 HydrophobicContact CZ-CD1 3.94Å; F52-L56 PolarHBondContact O-N 3.46Å
53T76.9Confident75.8Confident78 Ų78111.6 Ų111.648%0.47954%0.536SS..Hα-helixtrans-64.8-40176.244.70000112.3E49 I50 L56 R57E49-T53 WeakPolarHBondContact O-CB 3.23Å; E49-T53 WeakPolarHBondContact O-CG2 3.47Å; E49-T53 PolarHBondContact O-N 2.87Å; E49-T53 PolarHBondContact O-OG1 2.89Å; I50-T53 VanDerWaalsContact CA-OG1 3.32Å; I50-T53 WeakPolarHBondContact CA-OG1 3.45Å; I50-T53 PolarHBondContact O-OG1 3.3Å; T53-L56 WeakPolarHBondContact O-CB 3.47Å; T53-L56 PolarHBondContact O-N 3.27Å; T53-R57 PolarHBondContact O-N 3.17Å
54E78.2Confident75.8Confident79 Ų79105.8 Ų105.837%0.36952%0.519SS..Hα-helixtrans-68.5-36.8173.5-167.459.2-157.600112I50 L56 R57 I58I50-E54 WeakPolarHBondContact O-CB 3.47Å; I50-E54 PolarHBondContact O-N 2.76Å; E54-L56 VanDerWaalsContact C-N 3.31Å; E54-L56 PolarHBondContact O-N 2.87Å; E54-R57 WeakPolarHBondContact O-CB 3.41Å; E54-R57 PolarHBondContact O-N 2.94Å; E54-R57 VanDerWaalsContact O-N 3.17Å; E54-R57 IonicContact OE1-CZ 3.49Å; E54-R57 IonicContact OE1-NE 3.11Å; E54-R57 PolarHBondContact OE1-NE 2.98Å; E54-R57 IonicContact OE1-NH2 3.34Å; E54-R57 PolarHBondContact OE1-NH2 2.9Å; E54-R57 WeakPolarHBondContact OE2-CD 3.32Å; E54-R57 IonicContact OE2-NE 2.69Å; E54-R57 PolarHBondContact OE2-NE 2.92Å; E54-I58 HydrophobicContact CG-CD1 4.23Å; E54-I58 VanDerWaalsContact O-CG1 3.3Å; E54-I58 WeakPolarHBondContact O-CG1 3.49Å; E54-I58 PolarHBondContact O-N 3.48Å
55G78.4Confident75.8Confident26 Ų26103.2 Ų103.227%0.26852%0.516SS..Hα-helixtrans-59.3-41.3171.600000112.6R51 F52 I58 M59R51-G55 PolarHBondContact O-N 2.97Å; F52-G55 PolarHBondContact O-N 3.31Å; G55-I58 PolarHBondContact O-N 3.42Å; G55-M59 WeakPolarHBondContact O-CB 3.3Å; G55-M59 WeakPolarHBondContact O-CG 3.45Å; G55-M59 PolarHBondContact O-N 2.96Å
56L76.3Confident75.9Confident93 Ų93103.5 Ų103.549%0.48752%0.517SS..Hα-helixtrans-66.4-38.1174.3-120.8142000112F52 T53 E54 M59 K60F52-L56 HydrophobicContact CD1-CD1 4.05Å; F52-L56 HydrophobicContact CE1-CD1 3.46Å; F52-L56 VanDerWaalsContact CE1-CD1 3.46Å; F52-L56 HydrophobicContact CZ-CD1 3.94Å; F52-L56 PolarHBondContact O-N 3.46Å; T53-L56 WeakPolarHBondContact O-CB 3.47Å; T53-L56 PolarHBondContact O-N 3.27Å; E54-L56 VanDerWaalsContact C-N 3.31Å; E54-L56 PolarHBondContact O-N 2.87Å; L56-M59 PolarHBondContact O-N 3.39Å; L56-K60 VanDerWaalsContact O-CB 3.32Å; L56-K60 WeakPolarHBondContact O-CB 3.43Å; L56-K60 PolarHBondContact O-N 3.32Å
57R81.3Confident75.6Confident168 Ų168103.9 Ų103.963%0.63452%0.521SS*.Hα-helixtrans-64.4-44.3175.1-159.9-178.293.992.10.1111.8T53 E54 K60 S61T53-R57 PolarHBondContact O-N 3.17Å; E54-R57 WeakPolarHBondContact O-CB 3.41Å; E54-R57 PolarHBondContact O-N 2.94Å; E54-R57 VanDerWaalsContact O-N 3.17Å; E54-R57 IonicContact OE1-CZ 3.49Å; E54-R57 IonicContact OE1-NE 3.11Å; E54-R57 PolarHBondContact OE1-NE 2.98Å; E54-R57 IonicContact OE1-NH2 3.34Å; E54-R57 PolarHBondContact OE1-NH2 2.9Å; E54-R57 WeakPolarHBondContact OE2-CD 3.32Å; E54-R57 IonicContact OE2-NE 2.69Å; E54-R57 PolarHBondContact OE2-NE 2.92Å; R57-K60 PolarHBondContact O-N 2.84Å; R57-S61 WeakPolarHBondContact O-CB 3.35Å; R57-S61 PolarHBondContact O-N 2.9Å
58I81.8Confident75.2Confident84 Ų84107.6 Ų107.643%0.43153%0.534SS..Hα-helixtrans-64.5-43.9175.7-67165.5000110.5E54 G55 K60 S61 K62E54-I58 HydrophobicContact CG-CD1 4.23Å; E54-I58 VanDerWaalsContact O-CG1 3.3Å; E54-I58 WeakPolarHBondContact O-CG1 3.49Å; E54-I58 PolarHBondContact O-N 3.48Å; G55-I58 PolarHBondContact O-N 3.42Å; I58-K60 PolarHBondContact O-N 2.97Å; I58-S61 PolarHBondContact O-N 3.39Å; I58-K62 HydrophobicContact CG2-CD 4.41Å; I58-K62 WeakPolarHBondContact O-CB 3.45Å; I58-K62 WeakPolarHBondContact O-CG 3.47Å; I58-K62 PolarHBondContact O-N 2.04Å
59M75.1Confident75.1Confident125 Ų125106.2 Ų106.262%0.61654%0.536SS*.Hα-helixtrans-62-42.7175.7-80.8-169.6-81.200111.9G55 L56 K62 L63G55-M59 WeakPolarHBondContact O-CB 3.3Å; G55-M59 WeakPolarHBondContact O-CG 3.45Å; G55-M59 PolarHBondContact O-N 2.96Å; L56-M59 PolarHBondContact O-N 3.39Å; M59-K62 PolarHBondContact O-N 3.05Å; M59-L63 WeakPolarHBondContact O-CB 3.27Å; M59-L63 PolarHBondContact O-N 3.32Å
60K78.2Confident74.5Confident157 Ų157105 Ų10568%0.68354%0.538SS*.Hα-helixtrans-65.8-38176.9-164.4174.9-177179.10112.1L56 R57 I58 L63 A64L56-K60 VanDerWaalsContact O-CB 3.32Å; L56-K60 WeakPolarHBondContact O-CB 3.43Å; L56-K60 PolarHBondContact O-N 3.32Å; R57-K60 PolarHBondContact O-N 2.84Å; I58-K60 PolarHBondContact O-N 2.97Å; K60-L63 PolarHBondContact O-N 3Å; K60-A64 WeakPolarHBondContact O-CB 3.45Å; K60-A64 PolarHBondContact O-N 3.11Å
61S81.6Confident73.8Confident81 Ų81104 Ų10457%0.56654%0.54SS*.Hα-helixtrans-66.3-43.7173.8175.70000112.2R57 I58 L63 A64 S65R57-S61 WeakPolarHBondContact O-CB 3.35Å; R57-S61 PolarHBondContact O-N 2.9Å; I58-S61 PolarHBondContact O-N 3.39Å; S61-L63 VanDerWaalsContact C-N 3.34Å; S61-L63 PolarHBondContact O-N 3.08Å; S61-A64 PolarHBondContact O-N 3.26Å; S61-S65 WeakPolarHBondContact O-CB 3.03Å; S61-S65 PolarHBondContact O-N 3.4Å
62K81.8Confident72.9Confident141 Ų141103.5 Ų103.561%0.61354%0.544SS*.Hα-helixtrans-63.4-38.7173.4-77.5-174.8176.9-174.60112I58 M59 S65 L66I58-K62 HydrophobicContact CG2-CD 4.41Å; I58-K62 WeakPolarHBondContact O-CB 3.45Å; I58-K62 WeakPolarHBondContact O-CG 3.47Å; I58-K62 PolarHBondContact O-N 2.04Å; M59-K62 PolarHBondContact O-N 3.05Å; K62-S65 PolarHBondContact O-N 2.88Å; K62-L66 WeakPolarHBondContact O-CB 3.4Å; K62-L66 WeakPolarHBondContact O-CG 3.1Å; K62-L66 PolarHBondContact O-N 3.14Å
63L73.7Confident71.4Confident101 Ų101102.6 Ų102.653%0.52955%0.545SS..Hα-helixtrans-65.2-43.3175.6-17072.3000111.4M59 K60 S61 S65 L66 Q67M59-L63 WeakPolarHBondContact O-CB 3.27Å; M59-L63 PolarHBondContact O-N 3.32Å; K60-L63 PolarHBondContact O-N 3Å; S61-L63 VanDerWaalsContact C-N 3.34Å; S61-L63 PolarHBondContact O-N 3.08Å; L63-S65 VanDerWaalsContact C-N 3.34Å; L63-L66 PolarHBondContact O-N 2.84Å; L63-Q67 WeakPolarHBondContact O-CB 3.31Å; L63-Q67 WeakPolarHBondContact O-CG 3.47Å; L63-Q67 PolarHBondContact O-N 3.44Å
64A74.7Confident69.8Low43 Ų43103.9 Ų103.936%0.35555%0.554SS.*Hα-helixtrans-65.1-37.7174.900000112.1K60 S61 Q67 N68K60-A64 WeakPolarHBondContact O-CB 3.45Å; K60-A64 PolarHBondContact O-N 3.11Å; S61-A64 PolarHBondContact O-N 3.26Å; A64-Q67 PolarHBondContact O-N 2.85Å; A64-N68 WeakPolarHBondContact O-CB 3.34Å; A64-N68 PolarHBondContact O-N 3.32Å; A64-N68 PolarHBondContact O-ND2 2.95Å
65S73.3Confident68.4Low69 Ų69108 Ų10848%0.48357%0.574SS.*Hα-helixtrans-64.3-44.7172.8-175.90000111.6S61 K62 L63 N68 S69S61-S65 WeakPolarHBondContact O-CB 3.03Å; S61-S65 PolarHBondContact O-N 3.4Å; K62-S65 PolarHBondContact O-N 2.88Å; L63-S65 VanDerWaalsContact C-N 3.34Å; S65-N68 PolarHBondContact O-N 3.33Å; S65-S69 WeakPolarHBondContact O-CB 3.38Å; S65-S69 PolarHBondContact O-N 2.89Å; S65-S69 PolarHBondContact O-OG 3.46Å
66L71Confident66.6Low109 Ų109110.8 Ų110.857%0.57159%0.594SS**Hα-helixtrans-63.5-43.1176.1-83.8160.3000111.5K62 L63 N68 S69 V70K62-L66 WeakPolarHBondContact O-CB 3.4Å; K62-L66 WeakPolarHBondContact O-CG 3.1Å; K62-L66 PolarHBondContact O-N 3.14Å; L63-L66 PolarHBondContact O-N 2.84Å; L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 3.36Å; L66-S69 PolarHBondContact O-N 3.37Å; L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.5Å; L66-V70 PolarHBondContact O-N 2.93Å
67Q70.1Confident65Low119 Ų119112.5 Ų112.556%0.55660%0.603SS**Hα-helixtrans-59.8-44.3174.2-79177.8-43.700111L63 A64 S69 V70 S71L63-Q67 WeakPolarHBondContact O-CB 3.31Å; L63-Q67 WeakPolarHBondContact O-CG 3.47Å; L63-Q67 PolarHBondContact O-N 3.44Å; A64-Q67 PolarHBondContact O-N 2.85Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S69 PolarHBondContact O-N 2.89Å; Q67-V70 PolarHBondContact O-N 3.47Å; Q67-S71 WeakPolarHBondContact O-CB 3.32Å; Q67-S71 PolarHBondContact O-N 3.08Å; Q67-S71 PolarHBondContact O-OG 3.46Å
68N66.2Low63.5Low104 Ų104112.3 Ų112.356%0.55661%0.61SS**Hα-helixtrans-68-29.9176-77.3-23.2000113.6A64 S65 L66 K72A64-N68 WeakPolarHBondContact O-CB 3.34Å; A64-N68 PolarHBondContact O-N 3.32Å; A64-N68 PolarHBondContact O-ND2 2.95Å; S65-N68 PolarHBondContact O-N 3.33Å; L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 3.36Å; N68-K72 WeakPolarHBondContact O-CB 3.04Å; N68-K72 WeakPolarHBondContact O-CG 3.48Å; N68-K72 PolarHBondContact O-N 3.49Å
69S65.8Low62Low74 Ų74112.9 Ų112.952%0.51762%0.621SS.*Hα-helixtrans-71.8-36.3172.2-630000112.2S65 L66 Q67 K72S65-S69 WeakPolarHBondContact O-CB 3.38Å; S65-S69 PolarHBondContact O-N 2.89Å; S65-S69 PolarHBondContact O-OG 3.46Å; L66-S69 PolarHBondContact O-N 3.37Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S69 PolarHBondContact O-N 2.89Å; S69-K72 PolarHBondContact O-N 3.35Å
70V61.8Low60.8Low104 Ų104110.6 Ų110.663%0.6362%0.623SS**Hα-helixtrans-68.8-36.1173.51720000110.8L66 Q67 K72L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.5Å; L66-V70 PolarHBondContact O-N 2.93Å; Q67-V70 PolarHBondContact O-N 3.47Å; V70-K72 VanDerWaalsContact C-N 3.31Å; V70-K72 PolarHBondContact O-N 2.68Å
71S58.6Low59.8Low93 Ų93107.2 Ų107.265%0.6562%0.624SS**THydrogen-bonded Turntrans-76.9-10.5177-53.90000114.8Q67Q67-S71 WeakPolarHBondContact O-CB 3.32Å; Q67-S71 PolarHBondContact O-N 3.08Å; Q67-S71 PolarHBondContact O-OG 3.46Å
72K52.5Low58.9Low181 Ų181107.8 Ų107.879%0.78763%0.625SS**THydrogen-bonded Turntrans-107.76.3-179.2-82.7-172.1176.5-174.20114.3N68 S69 V70N68-K72 WeakPolarHBondContact O-CB 3.04Å; N68-K72 WeakPolarHBondContact O-CG 3.48Å; N68-K72 PolarHBondContact O-N 3.49Å; S69-K72 PolarHBondContact O-N 3.35Å; V70-K72 VanDerWaalsContact C-N 3.31Å; V70-K72 PolarHBondContact O-N 2.68Å
73L41.7Very low58.5Low126 Ų126104.1 Ų104.166%0.6662%0.615SS**SBendtrans-61.3130163.1-87.3147.8000108.3Q75L73-Q75 PolarHBondContact O-N 2.78Å
74P43Very low59Low105 Ų105102.5 Ų102.568%0.68261%0.609SS**  trans-54.8137.5171.2-16.828.3000108.4A76P74-A76 PolarHBondContact O-N 3.35Å
75Q49.2Very low59.6Low166 Ų166100.5 Ų100.578%0.77659%0.593SS**  trans-64.176.7162-76.2178.8-45.100108.5L73L73-Q75 PolarHBondContact O-N 2.78Å
76A42Very low60.4Low84 Ų84101.3 Ų101.369%0.69460%0.596SS**  trans-107.1113.4159.900000105.9P74P74-A76 PolarHBondContact O-N 3.35Å
77D41.8Very low61.2Low128 Ų12899.9 Ų99.968%0.68460%0.595SS**  trans69.973.9-179-89.9-34.1000118.6S79D77-S79 PolarHBondContact OD1-OG 2.81Å
78Q50.7Low62.1Low165 Ų16595.6 Ų95.677%0.77158%0.576SS**  trans-90.238.7145.5-72.3-175.94.300111.4
79S49.4Very low63.2Low95 Ų9597.1 Ų97.166%0.66458%0.584SS**  trans-139.252.9174.939.60000111.9D77D77-S79 PolarHBondContact OD1-OG 2.81Å
80A50.6Low64.3Low78 Ų7896.1 Ų96.165%0.64558%0.581SS**  trans-146.988.615200000107.8
81A57.5Low65.7Low86 Ų8692.1 Ų92.171%0.71156%0.557SS**  trans-48.7131.5151.300000106.1T83A81-T83 PolarHBondContact O-N 3.13Å
82P62.3Low67.2Low92 Ų9291.2 Ų91.260%0.59756%0.555SS**  trans-51.5122179.921.6-32000106.9T84P82-T84 WeakPolarHBondContact O-CG2 3.3Å; P82-T84 PolarHBondContact O-N 2.95Å
83T73.6Confident68.8Low65 Ų6587.8 Ų87.840%0.39954%0.542SS..  trans-59106.2-173.4-49.40000108.3A81 V103 E127 G129A81-T83 PolarHBondContact O-N 3.13Å; T83-V103 VanDerWaalsContact O-CG2 3.26Å; T83-V103 WeakPolarHBondContact O-CG2 3.32Å; T83-E127 WeakPolarHBondContact CG2-O 3.25Å; T83-G129 VanDerWaalsContact CG2-CA 3.42Å; T83-G129 VanDerWaalsContact CG2-N 3.35Å
84T84.1Confident70.9Confident66 Ų6682.5 Ų82.541%0.40552%0.518SS..BIsolated β-bridgetrans-105.8131.9-179.2470000109P82 H101 F102P82-T84 WeakPolarHBondContact O-CG2 3.3Å; P82-T84 PolarHBondContact O-N 2.95Å; T84-H101 CarbonylContact C-O 3.52Å; T84-H101 WeakPolarHBondContact CA-O 3.47Å; T84-F102 HydrophobicContact CG2-CD1 3.52Å; T84-F102 HydrophobicContact CG2-CE1 3.7Å; T84-F102 HydrophobicContact CG2-CG 4.42Å
85C86.7Confident73Confident2 Ų280 Ų801%0.01450%0.501CS..PPolyproline II helixtrans-71.9153.5170.7-61.80000110.4H101 C125 W131C85-H101 PolarHBondContact N-O 3.13Å; C85-H101 WeakPolarHBondContact O-CB 3.36Å; C85-H101 PolarHBondContact O-ND1 3.36Å; C85-C125 HydrophobicContact CB-CB 3.88Å; C85-C125 WeakPolarHBondContact CB-SG 3.37Å; C85-C125 PolarHBondContact N-SG 2.03Å; C85-C125 WeakPolarHBondContact SG-CA 3.46Å; C85-C125 WeakPolarHBondContact SG-CB 3.09Å; C85-C125 CovalentContact SG-SG 2.03Å; C85-C125 PolarHBondContact SG-SG 3.22Å; C85-W131 HydrophobicContact CB-CD2 4.1Å; C85-W131 HydrophobicContact CB-CG 4.25Å; C85-W131 HydrophobicContact CB-CZ2 3.94Å; C85-W131 VanDerWaalsContact CB-NE1 3.35Å
86P89.8Confident75Confident85 Ų8575.1 Ų75.155%0.55248%0.477SS*.PPolyproline II helixtrans-60.8147.6174.524.1-33.1000110.9L88 W131P86-L88 PolarHBondContact O-N 2.86Å; P86-W131 PolarHBondContact O-NE1 2.9Å
87S87.7Confident77Confident79 Ų7971.8 Ų71.855%0.55245%0.447SS*.PPolyproline II helixtrans-62.9133.1174-178.20000109.9
88L89.7Confident78.8Confident29 Ų2967.1 Ų67.115%0.15243%0.429CS..PPolyproline II helixtrans-96139.5173.3-61.8178.4000109.8P86 K96 F109 W131P86-L88 PolarHBondContact O-N 2.86Å; L88-K96 HydrophobicContact CB-CD 4.47Å; L88-K96 WeakPolarHBondContact O-CD 3.43Å; L88-K96 WeakPolarHBondContact O-CE 3.46Å; L88-K96 PolarHBondContact O-NZ 3.08Å; L88-F109 HydrophobicContact CB-CZ 4.07Å; L88-F109 HydrophobicContact CD1-CE2 4.17Å; L88-F109 HydrophobicContact CD1-CZ 3.76Å; L88-W131 HydrophobicContact CD1-CD2 3.68Å; L88-W131 HydrophobicContact CD1-CE3 4.27Å; L88-W131 HydrophobicContact CD1-CG 3.78Å; L88-W131 HydrophobicContact CD1-CZ2 4.3Å; L88-W131 HydrophobicContact CD2-CG 4.35Å; L88-W131 HydrophobicContact CG-CD2 4.27Å; L88-W131 HydrophobicContact CG-CG 4.24Å; L88-W131 HydrophobicContact CG-CZ2 4.39Å
89D89.8Confident80Confident136 Ų13664.2 Ų64.273%0.72743%0.427SS*.PPolyproline II helixtrans-88.4160172.3-63.9-47.1000111.6
90A88.1Confident81.5Confident54 Ų5464 Ų6445%0.44641%0.414SS..PPolyproline II helixtrans-70.5137.4172.800000109.7K96A90-K96 HydrophobicContact CB-CB 3.81Å
91P90.6Very high83.1Confident19 Ų1963.2 Ų63.212%0.12340%0.397CS..PPolyproline II helixtrans-63.3149173.525.4-31.1000110.4H93 G94 F109P91-H93 PolarHBondContact O-N 2.03Å; P91-G94 CarbonylContact O-C 3.37Å; P91-G94 WeakPolarHBondContact O-CA 3.38Å; P91-G94 PolarHBondContact O-N 2.87Å; P91-F109 HydrophobicContact CG-CD1 4.19Å
92A90.2Very high84.4Confident75 Ų7563.4 Ų63.462%0.6238%0.382SS*.THydrogen-bonded Turntrans-55.9137.5171.100000109.7G94 C138A92-G94 PolarHBondContact O-N 3.34Å; A92-C138 WeakPolarHBondContact O-CB 3.41Å
93H86.6Confident85.4Confident108 Ų10861.9 Ų61.950%0.537%0.371SS..THydrogen-bonded Turntrans57.233.7-173.2-50-78.9000113.2P91 T112 Y115P91-H93 PolarHBondContact O-N 2.03Å; H93-T112 PolarHBondContact O-N 3.23Å; H93-T112 PolarHBondContact O-OG1 3.1Å; H93-Y115 HydrophobicContact CB-CD1 3.93Å; H93-Y115 HydrophobicContact CB-CD2 3.93Å; H93-Y115 HydrophobicContact CB-CE1 3.93Å; H93-Y115 HydrophobicContact CB-CE2 3.89Å; H93-Y115 HydrophobicContact CB-CG 3.95Å; H93-Y115 AromaticContact CD2-CE1 3.94Å; H93-Y115 AromaticContact CG-CE1 3.84Å; H93-Y115 AromaticContact CG-CZ 3.66Å; H93-Y115 AromaticContact ND1-CZ 3.86Å
94G86.7Confident85.6Confident15 Ų1561.1 Ų61.116%0.15538%0.376CS..EExtended strand (participates in β ladder)trans-152168.6175.400000113.2P91 A92 V110P91-G94 CarbonylContact O-C 3.37Å; P91-G94 WeakPolarHBondContact O-CA 3.38Å; P91-G94 PolarHBondContact O-N 2.87Å; A92-G94 PolarHBondContact O-N 3.34Å; G94-V110 CarbonylContact C-O 3.29Å; G94-V110 VanDerWaalsContact CA-O 3.29Å; G94-V110 WeakPolarHBondContact CA-O 3.35Å
95T86.9Confident85.5Confident53 Ų5361.2 Ų61.233%0.32537%0.371SS..EExtended strand (participates in β ladder)trans-120.8139.9-176.555.30000109.2F97 F109 V110T95-F97 VanDerWaalsContact OG1-CE2 3.26Å; T95-F97 WeakPolarHBondContact OG1-CE2 3.04Å; T95-F109 WeakPolarHBondContact O-CA 3.26Å; T95-V110 PolarHBondContact N-O 3.2Å; T95-V110 PolarHBondContact O-N 3.05Å; T95-V110 PolarHBondContact OG1-O 3.26Å; T95-V110 VanDerWaalsContact OG1-O 3.13Å
96K89.8Confident85.3Confident63 Ų6365.5 Ų65.527%0.27439%0.391SS..EExtended strand (participates in β ladder)trans-108.1125.1176.7-179-16872.5172.90109.5L88 A90 V107 F109L88-K96 HydrophobicContact CB-CD 4.47Å; L88-K96 WeakPolarHBondContact O-CD 3.43Å; L88-K96 WeakPolarHBondContact O-CE 3.46Å; L88-K96 PolarHBondContact O-NZ 3.08Å; A90-K96 HydrophobicContact CB-CB 3.81Å; K96-V107 HydrophobicContact CD-CG1 3.84Å; K96-V107 HydrophobicContact CG-CG1 3.47Å; K96-V107 VanDerWaalsContact CG-CG1 3.47Å; K96-F109 HydrophobicContact CB-CD1 4.07Å; K96-F109 HydrophobicContact CB-CE1 3.94Å; K96-F109 HydrophobicContact CD-CE1 4.02Å; K96-F109 HydrophobicContact CD-CZ 4.43Å; K96-F109 HydrophobicContact CG-CD1 4.08Å; K96-F109 HydrophobicContact CG-CE1 3.58Å; K96-F109 HydrophobicContact CG-CZ 4.18Å
97F85.8Confident85.2Confident14 Ų1461.7 Ų61.76%0.06137%0.366CS..EExtended strand (participates in β ladder)trans-106.1128.2173.6-59.3-88.7000110T95 V107 H108 V110 P355 V389 Q391 I401 V403T95-F97 VanDerWaalsContact OG1-CE2 3.26Å; T95-F97 WeakPolarHBondContact OG1-CE2 3.04Å; F97-V107 CarbonylContact O-C 3.59Å; F97-V107 WeakPolarHBondContact O-CA 3.07Å; F97-V107 WeakPolarHBondContact O-CG1 3.34Å; F97-H108 HydrophobicContact CB-CB 4.28Å; F97-H108 PolarHBondContact N-O 3.21Å; F97-H108 PolarHBondContact O-N 3.16Å; F97-V110 HydrophobicContact CD2-CG2 3.97Å; F97-V110 HydrophobicContact CE2-CB 3.93Å; F97-V110 HydrophobicContact CE2-CG2 3.58Å; F97-P355 HydrophobicContact CZ-CB 3.93Å; F97-P355 HydrophobicContact CZ-CG 4.21Å; F97-V389 HydrophobicContact CB-CG1 4.03Å; F97-V389 HydrophobicContact CB-CG2 4.35Å; F97-Q391 VanDerWaalsContact CD1-OE1 3.26Å; F97-I401 HydrophobicContact CD1-CD1 4.35Å; F97-I401 HydrophobicContact CE1-CD1 3.98Å; F97-I401 HydrophobicContact CE1-CG2 4.21Å; F97-V403 HydrophobicContact CD1-CG1 4.42Å; F97-V403 HydrophobicContact CD2-CG1 4.03Å; F97-V403 HydrophobicContact CE1-CG1 4.34Å; F97-V403 HydrophobicContact CE2-CG1 3.93Å; F97-V403 HydrophobicContact CG-CG1 4.29Å; F97-V403 HydrophobicContact CZ-CG1 4.1Å
98G78.8Confident85Confident30 Ų3058.6 Ų58.631%0.30934%0.343SS..  trans104.9121.2-175.600000112.3
99S76.6Confident85Confident104 Ų10457.9 Ų57.973%0.72734%0.339SS*.  trans-106.6-11.8179.855.70000113.5
100K79.7Confident84.8Confident90 Ų9052.3 Ų52.339%0.39131%0.31SS..  trans-90.1144-176.9-62.4-179.8-174.6168.80110.6F102 H105K100-F102 HydrophobicContact CB-CD2 4.29Å; K100-H105 HydrophobicContact CB-CB 4.27Å
101H84.8Confident84.8Confident63 Ų6350.6 Ų50.629%0.29229%0.294SS..  trans-135.435.4-175.551.178.9000111.7T84 C85 W131T84-H101 CarbonylContact C-O 3.52Å; T84-H101 WeakPolarHBondContact CA-O 3.47Å; C85-H101 PolarHBondContact N-O 3.13Å; C85-H101 WeakPolarHBondContact O-CB 3.36Å; C85-H101 PolarHBondContact O-ND1 3.36Å; H101-W131 HydrophobicContact CB-CH2 4.31Å; H101-W131 HydrophobicContact CB-CZ2 3.7Å
102F84.6Confident84.5Confident90 Ų9052.6 Ų52.640%0.39531%0.306SS..BIsolated β-bridgetrans-92155.6170.3-49.7-86.1000110.4T84 K100 G104 H105 C125T84-F102 HydrophobicContact CG2-CD1 3.52Å; T84-F102 HydrophobicContact CG2-CE1 3.7Å; T84-F102 HydrophobicContact CG2-CG 4.42Å; K100-F102 HydrophobicContact CB-CD2 4.29Å; F102-G104 PolarHBondContact O-N 3.43Å; F102-H105 WeakPolarHBondContact CB-ND1 3.29Å; F102-H105 AromaticContact CD2-CE1 3.63Å; F102-H105 AromaticContact CD2-ND1 3.63Å; F102-H105 WeakPolarHBondContact O-CB 3.04Å; F102-H105 PolarHBondContact O-N 3.47Å; F102-H105 PolarHBondContact O-ND1 3.3Å; F102-C125 VanDerWaalsContact C-SG 3.51Å; F102-C125 WeakPolarHBondContact O-CB 3.41Å
103V83.3Confident84Confident60 Ų6055.5 Ų55.536%0.36431%0.307SS..THydrogen-bonded Turntrans-44.1131.5174.9-175.20000111.6T83 H105 C125 E127T83-V103 VanDerWaalsContact O-CG2 3.26Å; T83-V103 WeakPolarHBondContact O-CG2 3.32Å; V103-H105 VanDerWaalsContact C-N 3.3Å; V103-H105 PolarHBondContact O-N 3.44Å; V103-C125 WeakPolarHBondContact CA-O 3.08Å; V103-E127 HydrophobicContact CG1-CB 4.36Å; V103-E127 HydrophobicContact CG1-CG 3.55Å
104G78.3Confident83.3Confident49 Ų4950.5 Ų50.551%0.50528%0.284SS..THydrogen-bonded Turntrans83.8-11.8179.200000115.2F102 C125F102-G104 PolarHBondContact O-N 3.43Å; G104-C125 PolarHBondContact N-O 3.32Å
105H80.4Confident83.1Confident68 Ų6852 Ų5232%0.31529%0.286SS..  trans-76.4143.7172.5-69.7119.9000111.7K100 F102 V103 V124 C125K100-H105 HydrophobicContact CB-CB 4.27Å; F102-H105 WeakPolarHBondContact CB-ND1 3.29Å; F102-H105 AromaticContact CD2-CE1 3.63Å; F102-H105 AromaticContact CD2-ND1 3.63Å; F102-H105 WeakPolarHBondContact O-CB 3.04Å; F102-H105 PolarHBondContact O-N 3.47Å; F102-H105 PolarHBondContact O-ND1 3.3Å; V103-H105 VanDerWaalsContact C-N 3.3Å; V103-H105 PolarHBondContact O-N 3.44Å; H105-V124 WeakPolarHBondContact O-CA 3.31Å; H105-C125 PolarHBondContact O-N 3.43Å
106E83.8Confident82.9Confident92 Ų9255.1 Ų55.143%0.4330%0.297SS..EExtended strand (participates in β ladder)trans-104.7146.1178.4-44.3-165.815900111.1H108 T122 R123 V124E106-H108 IonicContact OE2-CE1 2.74Å; E106-H108 PolarHBondContact OE2-CE1 3.02Å; E106-H108 IonicContact OE2-NE2 3.65Å; E106-T122 HydrophobicContact CB-CG2 4.11Å; E106-R123 CarbonylContact C-O 3.56Å; E106-R123 VanDerWaalsContact CA-O 3.26Å; E106-R123 WeakPolarHBondContact CA-O 3.5Å; E106-V124 HydrophobicContact CB-CG2 4.47Å; E106-V124 HydrophobicContact CG-CG1 4.38Å; E106-V124 HydrophobicContact CG-CG2 3.87Å
107V86.6Confident82.6Confident4 Ų454.1 Ų54.12%0.02429%0.294CS..EExtended strand (participates in β ladder)trans-125.1129.2171.8175.20000107.3K96 F97 F109 T122 R123 W131K96-V107 HydrophobicContact CD-CG1 3.84Å; K96-V107 HydrophobicContact CG-CG1 3.47Å; K96-V107 VanDerWaalsContact CG-CG1 3.47Å; F97-V107 CarbonylContact O-C 3.59Å; F97-V107 WeakPolarHBondContact O-CA 3.07Å; F97-V107 WeakPolarHBondContact O-CG1 3.34Å; V107-F109 HydrophobicContact CB-CE2 4.42Å; V107-F109 HydrophobicContact CG1-CE1 4.16Å; V107-F109 HydrophobicContact CG1-CE2 3.75Å; V107-F109 HydrophobicContact CG1-CZ 3.56Å; V107-T122 CarbonylContact O-C 3.56Å; V107-T122 WeakPolarHBondContact O-CA 3.47Å; V107-R123 PolarHBondContact N-O 2.87Å; V107-R123 PolarHBondContact O-N 3.36Å; V107-W131 HydrophobicContact CB-CH2 4.22Å; V107-W131 HydrophobicContact CB-CZ3 4.15Å; V107-W131 HydrophobicContact CG2-CH2 3.31Å; V107-W131 HydrophobicContact CG2-CZ2 4.08Å; V107-W131 HydrophobicContact CG2-CZ3 3.7Å
108H84.5Confident82.7Confident15 Ų1556.6 Ų56.67%0.06931%0.31CS..EExtended strand (participates in β ladder)trans-109.4144.7179.9-51.5-86.5000110.4F97 E106 S121 T122 V389F97-H108 HydrophobicContact CB-CB 4.28Å; F97-H108 PolarHBondContact N-O 3.21Å; F97-H108 PolarHBondContact O-N 3.16Å; E106-H108 IonicContact OE2-CE1 2.74Å; E106-H108 PolarHBondContact OE2-CE1 3.02Å; E106-H108 IonicContact OE2-NE2 3.65Å; H108-S121 CarbonylContact C-O 3.6Å; H108-S121 VanDerWaalsContact CA-O 3.31Å; H108-S121 WeakPolarHBondContact CA-O 3.1Å; H108-T122 WeakPolarHBondContact CE1-CG2 3.35Å; H108-T122 WeakPolarHBondContact ND1-CG2 3.16Å; H108-T122 PolarHBondContact ND1-OG1 3.08Å; H108-V389 HydrophobicContact CB-CG2 4.29Å; H108-V389 VanDerWaalsContact CD2-CG2 3.46Å; H108-V389 WeakPolarHBondContact CD2-CG2 3.39Å
109F88.8Confident83.1Confident13 Ų1357.1 Ų57.16%0.05732%0.315CS..EExtended strand (participates in β ladder)trans-121.8134.9179.3-62-81.9000109.1L88 P91 T95 K96 V107 L117 S121 R123 A136L88-F109 HydrophobicContact CB-CZ 4.07Å; L88-F109 HydrophobicContact CD1-CE2 4.17Å; L88-F109 HydrophobicContact CD1-CZ 3.76Å; P91-F109 HydrophobicContact CG-CD1 4.19Å; T95-F109 WeakPolarHBondContact O-CA 3.26Å; K96-F109 HydrophobicContact CB-CD1 4.07Å; K96-F109 HydrophobicContact CB-CE1 3.94Å; K96-F109 HydrophobicContact CD-CE1 4.02Å; K96-F109 HydrophobicContact CD-CZ 4.43Å; K96-F109 HydrophobicContact CG-CD1 4.08Å; K96-F109 HydrophobicContact CG-CE1 3.58Å; K96-F109 HydrophobicContact CG-CZ 4.18Å; V107-F109 HydrophobicContact CB-CE2 4.42Å; V107-F109 HydrophobicContact CG1-CE1 4.16Å; V107-F109 HydrophobicContact CG1-CE2 3.75Å; V107-F109 HydrophobicContact CG1-CZ 3.56Å; F109-L117 HydrophobicContact CB-CD1 3.73Å; F109-L117 WeakPolarHBondContact O-CD1 3.42Å; F109-S121 PolarHBondContact N-O 3.31Å; F109-R123 HydrophobicContact CE2-CB 4.45Å; F109-R123 HydrophobicContact CE2-CG 3.98Å; F109-A136 HydrophobicContact CB-CB 3.83Å; F109-A136 HydrophobicContact CD1-CB 4.44Å; F109-A136 HydrophobicContact CD2-CB 3.85Å; F109-A136 HydrophobicContact CG-CB 3.78Å
110V86.9Confident83.6Confident20 Ų2053.6 Ų53.612%0.12129%0.29CS..EExtended strand (participates in β ladder)trans-134.3129.7176.9-1750000108.2G94 T95 F97 V403G94-V110 CarbonylContact C-O 3.29Å; G94-V110 VanDerWaalsContact CA-O 3.29Å; G94-V110 WeakPolarHBondContact CA-O 3.35Å; T95-V110 PolarHBondContact N-O 3.2Å; T95-V110 PolarHBondContact O-N 3.05Å; T95-V110 PolarHBondContact OG1-O 3.26Å; T95-V110 VanDerWaalsContact OG1-O 3.13Å; F97-V110 HydrophobicContact CD2-CG2 3.97Å; F97-V110 HydrophobicContact CE2-CB 3.93Å; F97-V110 HydrophobicContact CE2-CG2 3.58Å; V110-V403 HydrophobicContact CG2-CB 3.79Å; V110-V403 HydrophobicContact CG2-CG1 4.15Å
111C87.1Confident83.7Confident17 Ų1752.2 Ų52.212%0.11529%0.293CS..EExtended strand (participates in β ladder)trans-81.3152.8176.9-60.60000111.3Y115 L117 C138C111-Y115 VanDerWaalsContact CB-O 3.31Å; C111-Y115 WeakPolarHBondContact CB-O 3.12Å; C111-L117 VanDerWaalsContact SG-CA 3.58Å; C111-C138 WeakPolarHBondContact CA-SG 3.48Å; C111-C138 HydrophobicContact CB-CB 3.77Å; C111-C138 WeakPolarHBondContact CB-SG 3.35Å; C111-C138 WeakPolarHBondContact SG-CA 3.44Å; C111-C138 WeakPolarHBondContact SG-CB 3.39Å; C111-C138 CovalentContact SG-SG 2.03Å; C111-C138 PolarHBondContact SG-SG 3.39Å
112T84.6Confident83.8Confident61 Ų6151 Ų5137%0.37429%0.289SS..PPolyproline II helixtrans-66.1159.7169.653.50000110.2H93 G114 Y115H93-T112 PolarHBondContact O-N 3.23Å; H93-T112 PolarHBondContact O-OG1 3.1Å; T112-G114 PolarHBondContact O-N 3.01Å; T112-Y115 PolarHBondContact O-N 3.33Å; T112-Y115 VanDerWaalsContact O-N 3.17Å
113Q79.2Confident84Confident136 Ų13648.2 Ų48.264%0.63628%0.276SS*.THydrogen-bonded Turntrans-53135.5177.2-171.4171.99.300111N160Q113-N160 HydrophobicContact CG-CB 4.48Å
114G72.2Confident84.2Confident3 Ų347.3 Ų47.33%0.03127%0.27CS..THydrogen-bonded Turntrans94.3-8.1-173.700000116.3T112 I141 N160T112-G114 PolarHBondContact O-N 3.01Å; G114-I141 PolarHBondContact O-N 3.19Å; G114-N160 WeakPolarHBondContact CA-OD1 3.37Å; G114-N160 PolarHBondContact N-OD1 2.97Å
115Y82Confident84.7Confident48 Ų4845 Ų4519%0.18825%0.247CC..EExtended strand (participates in β ladder)trans-121.3133.9-177.7-65.2-98.9000111H93 C111 T112 K139 D140H93-Y115 HydrophobicContact CB-CD1 3.93Å; H93-Y115 HydrophobicContact CB-CD2 3.93Å; H93-Y115 HydrophobicContact CB-CE1 3.93Å; H93-Y115 HydrophobicContact CB-CE2 3.89Å; H93-Y115 HydrophobicContact CB-CG 3.95Å; H93-Y115 AromaticContact CD2-CE1 3.94Å; H93-Y115 AromaticContact CG-CE1 3.84Å; H93-Y115 AromaticContact CG-CZ 3.66Å; H93-Y115 AromaticContact ND1-CZ 3.86Å; C111-Y115 VanDerWaalsContact CB-O 3.31Å; C111-Y115 WeakPolarHBondContact CB-O 3.12Å; T112-Y115 PolarHBondContact O-N 3.33Å; T112-Y115 VanDerWaalsContact O-N 3.17Å; Y115-K139 CarbonylContact C-O 3.22Å; Y115-K139 VanDerWaalsContact CA-O 3.28Å; Y115-K139 WeakPolarHBondContact CA-O 3.46Å; Y115-D140 HydrophobicContact CD1-CB 4.22Å; Y115-D140 HydrophobicContact CE1-CB 3.97Å
116Q82.5Confident85.1Confident118 Ų11848.4 Ų48.455%0.55126%0.257SS*.EExtended strand (participates in β ladder)trans-93.8135.7173.6178.7175.120.100110.5V118 K139 I141Q116-V118 PolarHBondContact O-N 2.86Å; Q116-K139 PolarHBondContact N-O 3.02Å; Q116-K139 PolarHBondContact O-N 2.71Å; Q116-I141 HydrophobicContact CB-CD1 3.79Å; Q116-I141 HydrophobicContact CB-CG1 3.52Å
117L85Confident85.3Confident42 Ų4251.7 Ų51.722%0.2227%0.272CS..EExtended strand (participates in β ladder)trans-75.9115.4174.9-168.4141.8000110.3F109 C111 G119 A136F109-L117 HydrophobicContact CB-CD1 3.73Å; F109-L117 WeakPolarHBondContact O-CD1 3.42Å; C111-L117 VanDerWaalsContact SG-CA 3.58Å; L117-G119 WeakPolarHBondContact CD2-O 3.05Å; L117-A136 HydrophobicContact CD1-CB 4.17Å; L117-A136 HydrophobicContact CD2-CB 4.29Å; L117-A136 HydrophobicContact CG-CB 4.24Å
118V86.8Confident85.3Confident66 Ų6656.4 Ų56.440%0.430%0.297SS..EExtended strand (participates in β ladder)trans-103.7117.1171.7-178.90000108.4Q116 V137 K139Q116-V118 PolarHBondContact O-N 2.86Å; V118-V137 PolarHBondContact N-O 2.83Å; V118-V137 PolarHBondContact O-N 2.85Å; V118-K139 HydrophobicContact CG2-CB 4.22Å; V118-K139 HydrophobicContact CG2-CD 4.04Å; V118-K139 HydrophobicContact CG2-CG 4.06Å
119G88.3Confident85.3Confident40 Ų4056.3 Ų56.341%0.41230%0.301SS..SBendtrans120.7-158.4-175.600000111.9L117L117-G119 WeakPolarHBondContact CD2-O 3.05Å
120S86.6Confident85.3Confident30 Ų3059.1 Ų59.121%0.2132%0.319CS..  trans-89.1116.5-178.4-61.80000111.4T122 G133 V134S120-T122 PolarHBondContact O-N 2.84Å; S120-G133 VanDerWaalsContact OG-CA 3.23Å; S120-G133 WeakPolarHBondContact OG-CA 3.46Å; S120-V134 WeakPolarHBondContact CB-O 2.83Å; S120-V134 PolarHBondContact N-O 3.09Å; S120-V134 VanDerWaalsContact N-O 3.08Å; S120-V134 PolarHBondContact OG-N 2.68Å
121S82.4Confident85.5Confident62 Ų6259.1 Ų59.143%0.43432%0.317SS..SBendtrans-64.4-23.2176.2590000113.1H108 F109H108-S121 CarbonylContact C-O 3.6Å; H108-S121 VanDerWaalsContact CA-O 3.31Å; H108-S121 WeakPolarHBondContact CA-O 3.1Å; F109-S121 PolarHBondContact N-O 3.31Å
122T86.5Confident85.7Confident36 Ų3659.2 Ų59.222%0.22132%0.318CS..EExtended strand (participates in β ladder)trans-131.6132.7175.3-55.90000109.3E106 V107 H108 S120E106-T122 HydrophobicContact CB-CG2 4.11Å; V107-T122 CarbonylContact O-C 3.56Å; V107-T122 WeakPolarHBondContact O-CA 3.47Å; H108-T122 WeakPolarHBondContact CE1-CG2 3.35Å; H108-T122 WeakPolarHBondContact ND1-CG2 3.16Å; H108-T122 PolarHBondContact ND1-OG1 3.08Å; S120-T122 PolarHBondContact O-N 2.84Å
123R87.5Confident85.9Confident33 Ų3358.4 Ų58.413%0.12532%0.321CS..EExtended strand (participates in β ladder)trans-124.6136.5176.1-59.9-172.973.2-172.98.2109.6E106 V107 F109 W131 S132E106-R123 CarbonylContact C-O 3.56Å; E106-R123 VanDerWaalsContact CA-O 3.26Å; E106-R123 WeakPolarHBondContact CA-O 3.5Å; V107-R123 PolarHBondContact N-O 2.87Å; V107-R123 PolarHBondContact O-N 3.36Å; F109-R123 HydrophobicContact CE2-CB 4.45Å; F109-R123 HydrophobicContact CE2-CG 3.98Å; R123-W131 HydrophobicContact CB-CE3 3.82Å; R123-W131 VanDerWaalsContact CZ-CB 3.41Å; R123-W131 WeakPolarHBondContact O-CZ3 3.5Å; R123-S132 WeakPolarHBondContact CG-O 3.41Å; R123-S132 PolarHBondContact NE-O 2.93Å
124V88.5Confident86.4Confident40 Ų4056.4 Ų56.424%0.24232%0.319CS..EExtended strand (participates in β ladder)trans-116130.6-178.1-170.90000108.8H105 E106 R126 S132H105-V124 WeakPolarHBondContact O-CA 3.31Å; E106-V124 HydrophobicContact CB-CG2 4.47Å; E106-V124 HydrophobicContact CG-CG1 4.38Å; E106-V124 HydrophobicContact CG-CG2 3.87Å; V124-R126 PolarHBondContact O-N 3.33Å; V124-S132 PolarHBondContact N-OG 2.98Å; V124-S132 WeakPolarHBondContact O-CB 3.37Å; V124-S132 PolarHBondContact O-N 2.93Å; V124-S132 PolarHBondContact O-OG 3.49Å
125C88.9Confident87.1Confident2 Ų259.7 Ų59.71%0.01434%0.341CS..BIsolated β-bridgetrans-72.2124.3176.2178.70000109.9C85 F102 V103 G104 H105 W131C85-C125 HydrophobicContact CB-CB 3.88Å; C85-C125 WeakPolarHBondContact CB-SG 3.37Å; C85-C125 PolarHBondContact N-SG 2.03Å; C85-C125 WeakPolarHBondContact SG-CA 3.46Å; C85-C125 WeakPolarHBondContact SG-CB 3.09Å; C85-C125 CovalentContact SG-SG 2.03Å; C85-C125 PolarHBondContact SG-SG 3.22Å; F102-C125 VanDerWaalsContact C-SG 3.51Å; F102-C125 WeakPolarHBondContact O-CB 3.41Å; V103-C125 WeakPolarHBondContact CA-O 3.08Å; G104-C125 PolarHBondContact N-O 3.32Å; H105-C125 PolarHBondContact O-N 3.43Å; C125-W131 HydrophobicContact CB-CD2 4.46Å; C125-W131 HydrophobicContact CB-CE3 4.06Å; C125-W131 HydrophobicContact CB-CH2 3.99Å; C125-W131 HydrophobicContact CB-CZ2 4.41Å; C125-W131 HydrophobicContact CB-CZ3 3.82Å
126R88.6Confident87.4Confident138 Ų13858.1 Ų58.152%0.52134%0.338SS..  trans-94.7163.1-177.2-66.5179.5176-162.10.5111.8V124 N128 G129 T130V124-R126 PolarHBondContact O-N 3.33Å; R126-N128 WeakPolarHBondContact CB-OD1 3.28Å; R126-N128 PolarHBondContact O-N 3.39Å; R126-N128 VanDerWaalsContact O-N 3.14Å; R126-G129 PolarHBondContact O-N 3.44Å; R126-T130 WeakPolarHBondContact CB-O 3.36Å; R126-T130 PolarHBondContact N-O 2.83Å
127E87.2Confident87.8Confident162 Ų16255.7 Ų55.776%0.75733%0.331SS*.THydrogen-bonded Turntrans-59.6-23.1178.9-72.7175.9-175.500113.8T83 V103 G129T83-E127 WeakPolarHBondContact CG2-O 3.25Å; V103-E127 HydrophobicContact CG1-CB 4.36Å; V103-E127 HydrophobicContact CG1-CG 3.55Å; E127-G129 VanDerWaalsContact C-N 3.27Å; E127-G129 PolarHBondContact O-N 3.07Å
128N87Confident88Confident102 Ų10254.3 Ų54.355%0.54533%0.325SS..THydrogen-bonded Turntrans-82.33175.870-11.6000113.8R126 T130R126-N128 WeakPolarHBondContact CB-OD1 3.28Å; R126-N128 PolarHBondContact O-N 3.39Å; R126-N128 VanDerWaalsContact O-N 3.14Å; N128-T130 VanDerWaalsContact C-N 3.31Å; N128-T130 PolarHBondContact ND2-OG1 2.04Å; N128-T130 PolarHBondContact O-N 3.11Å; N128-T130 PolarHBondContact OD1-N 3.11Å; N128-T130 PolarHBondContact OD1-OG1 3.42Å
129G84.4Confident87.8Confident14 Ų1457 Ų5714%0.14433%0.331CS..SBendtrans77.610.8-179.300000115.1T83 R126 E127T83-G129 VanDerWaalsContact CG2-CA 3.42Å; T83-G129 VanDerWaalsContact CG2-N 3.35Å; R126-G129 PolarHBondContact O-N 3.44Å; E127-G129 VanDerWaalsContact C-N 3.27Å; E127-G129 PolarHBondContact O-N 3.07Å
130T90.2Very high87.3Confident72 Ų7258.8 Ų58.844%0.44233%0.331SS..  trans-108.7151.2174.272.90000112R126 N128R126-T130 WeakPolarHBondContact CB-O 3.36Å; R126-T130 PolarHBondContact N-O 2.83Å; N128-T130 VanDerWaalsContact C-N 3.31Å; N128-T130 PolarHBondContact ND2-OG1 2.04Å; N128-T130 PolarHBondContact O-N 3.11Å; N128-T130 PolarHBondContact OD1-N 3.11Å; N128-T130 PolarHBondContact OD1-OG1 3.42Å
131W90.5Very high86.7Confident19 Ų1960 Ų607%0.07233%0.334CS..BIsolated β-bridgetrans-79.2136.1174-73.3102.4000110.8C85 P86 L88 H101 V107 R123 C125C85-W131 HydrophobicContact CB-CD2 4.1Å; C85-W131 HydrophobicContact CB-CG 4.25Å; C85-W131 HydrophobicContact CB-CZ2 3.94Å; C85-W131 VanDerWaalsContact CB-NE1 3.35Å; P86-W131 PolarHBondContact O-NE1 2.9Å; L88-W131 HydrophobicContact CD1-CD2 3.68Å; L88-W131 HydrophobicContact CD1-CE3 4.27Å; L88-W131 HydrophobicContact CD1-CG 3.78Å; L88-W131 HydrophobicContact CD1-CZ2 4.3Å; L88-W131 HydrophobicContact CD2-CG 4.35Å; L88-W131 HydrophobicContact CG-CD2 4.27Å; L88-W131 HydrophobicContact CG-CG 4.24Å; L88-W131 HydrophobicContact CG-CZ2 4.39Å; H101-W131 HydrophobicContact CB-CH2 4.31Å; H101-W131 HydrophobicContact CB-CZ2 3.7Å; V107-W131 HydrophobicContact CB-CH2 4.22Å; V107-W131 HydrophobicContact CB-CZ3 4.15Å; V107-W131 HydrophobicContact CG2-CH2 3.31Å; V107-W131 HydrophobicContact CG2-CZ2 4.08Å; V107-W131 HydrophobicContact CG2-CZ3 3.7Å; R123-W131 HydrophobicContact CB-CE3 3.82Å; R123-W131 VanDerWaalsContact CZ-CB 3.41Å; R123-W131 WeakPolarHBondContact O-CZ3 3.5Å; C125-W131 HydrophobicContact CB-CD2 4.46Å; C125-W131 HydrophobicContact CB-CE3 4.06Å; C125-W131 HydrophobicContact CB-CH2 3.99Å; C125-W131 HydrophobicContact CB-CZ2 4.41Å; C125-W131 HydrophobicContact CB-CZ3 3.82Å
132S90.9Very high86.4Confident19 Ų1960 Ų6013%0.13333%0.334CS..SBendtrans-63.4159.7170.4740000111.8R123 V124R123-S132 WeakPolarHBondContact CG-O 3.41Å; R123-S132 PolarHBondContact NE-O 2.93Å; V124-S132 PolarHBondContact N-OG 2.98Å; V124-S132 WeakPolarHBondContact O-CB 3.37Å; V124-S132 PolarHBondContact O-N 2.93Å; V124-S132 PolarHBondContact O-OG 3.49Å
133G87.9Confident86.1Confident44 Ų4459.7 Ų59.745%0.45433%0.331SS..SBendtrans72-17017300000114.4S120S120-G133 VanDerWaalsContact OG-CA 3.23Å; S120-G133 WeakPolarHBondContact OG-CA 3.46Å
134V90.3Very high85.9Confident95 Ų9558.9 Ų58.958%0.57633%0.33SS*.PPolyproline II helixtrans-103.4148.3-176.1-161.50000109.2S120 A136S120-V134 WeakPolarHBondContact CB-O 2.83Å; S120-V134 PolarHBondContact N-O 3.09Å; S120-V134 VanDerWaalsContact N-O 3.08Å; S120-V134 PolarHBondContact OG-N 2.68Å; V134-A136 PolarHBondContact O-N 2.78Å
135S87.4Confident85.6Confident72 Ų7260.6 Ų60.650%0.50335%0.348SS..PPolyproline II helixtrans-53.6126.1176.853.80000111.4
136A88.8Confident85.2Confident14 Ų1465.1 Ų65.112%0.11638%0.38CS..PPolyproline II helixtrans-76.5124.9176.400000110F109 L117 V134F109-A136 HydrophobicContact CB-CB 3.83Å; F109-A136 HydrophobicContact CD1-CB 4.44Å; F109-A136 HydrophobicContact CD2-CB 3.85Å; F109-A136 HydrophobicContact CG-CB 3.78Å; L117-A136 HydrophobicContact CD1-CB 4.17Å; L117-A136 HydrophobicContact CD2-CB 4.29Å; L117-A136 HydrophobicContact CG-CB 4.24Å; V134-A136 PolarHBondContact O-N 2.78Å
137V91Very high84.8Confident68 Ų6865 Ų6541%0.41239%0.39SS..EExtended strand (participates in β ladder)trans-126.8129.1174.3-1780000107.9V118 K139V118-V137 PolarHBondContact N-O 2.83Å; V118-V137 PolarHBondContact O-N 2.85Å; V137-K139 HydrophobicContact CG1-CG 4.27Å; V137-K139 PolarHBondContact O-N 3.31Å
138C88.2Confident84.6Confident13 Ų1358.1 Ų58.19%0.08836%0.359CS..EExtended strand (participates in β ladder)trans-83.6112172.5-62.70000108.1A92 C111A92-C138 WeakPolarHBondContact O-CB 3.41Å; C111-C138 WeakPolarHBondContact CA-SG 3.48Å; C111-C138 HydrophobicContact CB-CB 3.77Å; C111-C138 WeakPolarHBondContact CB-SG 3.35Å; C111-C138 WeakPolarHBondContact SG-CA 3.44Å; C111-C138 WeakPolarHBondContact SG-CB 3.39Å; C111-C138 CovalentContact SG-SG 2.03Å; C111-C138 PolarHBondContact SG-SG 3.39Å
139K83.8Confident84.7Confident122 Ų12254.2 Ų54.253%0.5334%0.339SS..EExtended strand (participates in β ladder)trans-102.3142173.2-67.6-164.6-179.7-177.10109Y115 Q116 V118 V137 I141Y115-K139 CarbonylContact C-O 3.22Å; Y115-K139 VanDerWaalsContact CA-O 3.28Å; Y115-K139 WeakPolarHBondContact CA-O 3.46Å; Q116-K139 PolarHBondContact N-O 3.02Å; Q116-K139 PolarHBondContact O-N 2.71Å; V118-K139 HydrophobicContact CG2-CB 4.22Å; V118-K139 HydrophobicContact CG2-CD 4.04Å; V118-K139 HydrophobicContact CG2-CG 4.06Å; V137-K139 HydrophobicContact CG1-CG 4.27Å; V137-K139 PolarHBondContact O-N 3.31Å; K139-I141 PolarHBondContact O-N 2.87Å
140D77.2Confident84.8Confident78 Ų7858.6 Ų58.642%0.41736%0.356SS..EExtended strand (participates in β ladder)trans-56.7136.7170.5-158-37.5000109Y115 S142Y115-D140 HydrophobicContact CD1-CB 4.22Å; Y115-D140 HydrophobicContact CE1-CB 3.97Å; D140-S142 PolarHBondContact O-N 3.45Å
141I73.7Confident84.6Confident54 Ų5458.5 Ų58.528%0.27735%0.353SS..  trans-81.2102.1176.6-58.9-180000106.1G114 Q116 K139 E143G114-I141 PolarHBondContact O-N 3.19Å; Q116-I141 HydrophobicContact CB-CD1 3.79Å; Q116-I141 HydrophobicContact CB-CG1 3.52Å; K139-I141 PolarHBondContact O-N 2.87Å; I141-E143 VanDerWaalsContact C-N 3.34Å; I141-E143 HydrophobicContact CG2-CG 4.02Å; I141-E143 PolarHBondContact O-N 3.31Å; I141-E143 VanDerWaalsContact O-OE2 3.06Å
142S76.4Confident84.2Confident62 Ų6260.8 Ų60.843%0.43438%0.382SS..  trans-70.695.2170.1170.60000108.6D140 C144 A145 E157D140-S142 PolarHBondContact O-N 3.45Å; S142-C144 PolarHBondContact O-N 3.3Å; S142-A145 WeakPolarHBondContact O-CB 3.42Å; S142-A145 PolarHBondContact O-N 2.85Å; S142-A145 PolarHBondContact OG-N 2.84Å; S142-E157 WeakPolarHBondContact CA-OE1 3.5Å; S142-E157 WeakPolarHBondContact CB-OE1 3.29Å; S142-E157 PolarHBondContact OG-OE1 3.47Å
143E80.1Confident83.9Confident31 Ų3160.6 Ų60.615%0.14538%0.383CS..G310 helixtrans-70.4-22.7178.7-62.394.2179.800111.4I141 S146 E157 N160 Q161 Y162I141-E143 VanDerWaalsContact C-N 3.34Å; I141-E143 HydrophobicContact CG2-CG 4.02Å; I141-E143 PolarHBondContact O-N 3.31Å; I141-E143 VanDerWaalsContact O-OE2 3.06Å; E143-S146 PolarHBondContact O-OG 2.83Å; E143-E157 PolarHBondContact N-OE2 3.21Å; E143-N160 VanDerWaalsContact OE1-C 3.23Å; E143-N160 VanDerWaalsContact OE1-CA 3.24Å; E143-N160 WeakPolarHBondContact OE1-CA 3.42Å; E143-Q161 PolarHBondContact OE1-N 3.25Å; E143-Q161 PolarHBondContact OE2-N 2.9Å; E143-Y162 HydrophobicContact CB-CD1 3.34Å; E143-Y162 HydrophobicContact CB-CE1 4.16Å; E143-Y162 HydrophobicContact CB-CG 3.98Å; E143-Y162 HydrophobicContact CG-CD1 4.15Å
144C82.7Confident83.9Confident16 Ų1662.8 Ų62.811%0.10839%0.388CS..G310 helixtrans-76.9-13.1175-62.50000114.7S142 S146 N147 C155 E157S142-C144 PolarHBondContact O-N 3.3Å; C144-S146 PolarHBondContact O-N 2.78Å; C144-S146 VanDerWaalsContact O-N 3.09Å; C144-N147 PolarHBondContact O-N 2.87Å; C144-C155 VanDerWaalsContact CA-SG 3.51Å; C144-C155 HydrophobicContact CB-CB 3.72Å; C144-C155 WeakPolarHBondContact CB-SG 3.46Å; C144-C155 WeakPolarHBondContact SG-CB 3.2Å; C144-C155 CovalentContact SG-SG 2.03Å; C144-C155 PolarHBondContact SG-SG 2.67Å; C144-E157 HydrophobicContact CB-CG 4.14Å; C144-E157 WeakPolarHBondContact CB-OE1 3.46Å; C144-E157 PolarHBondContact N-OE1 3.03Å
145A82.6Confident83.8Confident76 Ų7660 Ų6063%0.62837%0.372SS*.G310 helixtrans-59.6-25.2-179.300000113.7S142 N147S142-A145 WeakPolarHBondContact O-CB 3.42Å; S142-A145 PolarHBondContact O-N 2.85Å; S142-A145 PolarHBondContact OG-N 2.84Å; A145-N147 VanDerWaalsContact C-N 3.26Å; A145-N147 PolarHBondContact O-N 3.48Å
146S79.6Confident83.8Confident96 Ų9660 Ų6067%0.67137%0.369SS*.G310 helixtrans-81.80.6176.763.60000114.1E143 C144E143-S146 PolarHBondContact O-OG 2.83Å; C144-S146 PolarHBondContact O-N 2.78Å; C144-S146 VanDerWaalsContact O-N 3.09Å
147N80.3Confident83.4Confident137 Ų13763.4 Ų63.473%0.73338%0.382SS*.  trans46.459.8-168.9-63.4-55.4000112.2C144 A145 C149C144-N147 PolarHBondContact O-N 2.87Å; A145-N147 VanDerWaalsContact C-N 3.26Å; A145-N147 PolarHBondContact O-N 3.48Å; N147-C149 VanDerWaalsContact C-N 3.26Å; N147-C149 PolarHBondContact O-N 3.05Å
148P84.3Confident82.6Confident16 Ų1661.5 Ų61.510%0.10438%0.376CS..  trans-70.3-19.7-171.929.2-35.9000113.4Y162 H174P148-Y162 HydrophobicContact CB-CD2 4.33Å; P148-Y162 HydrophobicContact CB-CE2 3.58Å; P148-Y162 HydrophobicContact CG-CD2 3.59Å; P148-Y162 HydrophobicContact CG-CE1 4.39Å; P148-Y162 HydrophobicContact CG-CE2 3.35Å; P148-Y162 HydrophobicContact CG-CG 4.21Å; P148-H174 WeakPolarHBondContact O-CB 3.37Å; P148-H174 PolarHBondContact O-ND1 2.84Å
149C88.8Confident81.6Confident20 Ų2065.5 Ų65.514%0.13540%0.4CS..  trans-82.1126.3179.6-49.40000111.3N147 G153 C155 C164N147-C149 VanDerWaalsContact C-N 3.26Å; N147-C149 PolarHBondContact O-N 3.05Å; C149-G153 WeakPolarHBondContact CB-O 3.24Å; C149-C155 WeakPolarHBondContact SG-CA 3.48Å; C149-C155 WeakPolarHBondContact SG-CB 3.39Å; C149-C164 WeakPolarHBondContact CA-SG 3.36Å; C149-C164 HydrophobicContact CB-CB 3.84Å; C149-C164 WeakPolarHBondContact CB-SG 3.24Å; C149-C164 WeakPolarHBondContact SG-CA 3.43Å; C149-C164 WeakPolarHBondContact SG-CB 3.37Å; C149-C164 CovalentContact SG-SG 2.02Å; C149-C164 PolarHBondContact SG-SG 3.46Å
150Q85.4Confident80.8Confident106 Ų10663 Ų6350%0.49539%0.392SS..  trans-94.3169.7179.6-57.3-178.319.900111.1G152 G153 H174 C175Q150-G152 VanDerWaalsContact C-N 3.29Å; Q150-G152 PolarHBondContact O-N 2.82Å; Q150-G152 VanDerWaalsContact O-N 3.12Å; Q150-G153 PolarHBondContact O-N 3.45Å; Q150-H174 WeakPolarHBondContact CB-O 3.29Å; Q150-H174 PolarHBondContact N-O 2.79Å; Q150-C175 WeakPolarHBondContact O-CB 3.3Å
151N85.9Confident80.5Confident71 Ų7165.9 Ų65.938%0.3840%0.404SS..THydrogen-bonded Turntrans52.538.1169.6-53-53000115.8G153 W170 C175N151-G153 VanDerWaalsContact C-N 3.32Å; N151-G153 PolarHBondContact O-N 2.95Å; N151-W170 HydrophobicContact CB-CD2 3.48Å; N151-W170 VanDerWaalsContact CB-CD2 3.48Å; N151-W170 HydrophobicContact CB-CE3 3.69Å; N151-W170 HydrophobicContact CB-CG 4.01Å; N151-W170 HydrophobicContact CB-CH2 4Å; N151-W170 HydrophobicContact CB-CZ2 3.79Å; N151-W170 HydrophobicContact CB-CZ3 3.96Å; N151-W170 VanDerWaalsContact CG-CH2 3.44Å; N151-W170 WeakPolarHBondContact ND2-CZ3 3.4Å; N151-C175 PolarHBondContact ND2-O 3.5Å
152G82.1Confident81Confident67 Ų6766.5 Ų66.569%0.69140%0.403SS*.THydrogen-bonded Turntrans76.515.3178.900000114.6Q150Q150-G152 VanDerWaalsContact C-N 3.29Å; Q150-G152 PolarHBondContact O-N 2.82Å; Q150-G152 VanDerWaalsContact O-N 3.12Å
153G86Confident81.3Confident14 Ų1470.5 Ų70.514%0.14441%0.412CS..PPolyproline II helixtrans-64.3138.6170.600000112.3C149 Q150 N151 T165C149-G153 WeakPolarHBondContact CB-O 3.24Å; Q150-G153 PolarHBondContact O-N 3.45Å; N151-G153 VanDerWaalsContact C-N 3.32Å; N151-G153 PolarHBondContact O-N 2.95Å; G153-T165 WeakPolarHBondContact CA-O 3.49Å
154T87.6Confident81.6Confident91 Ų9169.6 Ų69.656%0.55841%0.41SS*.EExtended strand (participates in β ladder)trans-92.1121.4175.8-56.20000109.7T165T154-T165 WeakPolarHBondContact CB-OG1 3.37Å; T154-T165 PolarHBondContact N-O 2.78Å; T154-T165 PolarHBondContact O-N 3.46Å; T154-T165 PolarHBondContact O-OG1 2.88Å
155C88.2Confident81.7Confident35 Ų3572 Ų7224%0.23642%0.424CS..EExtended strand (participates in β ladder)trans-79.6128.5177.3-162.60000110.5C144 C149C144-C155 VanDerWaalsContact CA-SG 3.51Å; C144-C155 HydrophobicContact CB-CB 3.72Å; C144-C155 WeakPolarHBondContact CB-SG 3.46Å; C144-C155 WeakPolarHBondContact SG-CB 3.2Å; C144-C155 CovalentContact SG-SG 2.03Å; C144-C155 PolarHBondContact SG-SG 2.67Å; C149-C155 WeakPolarHBondContact SG-CA 3.48Å; C149-C155 WeakPolarHBondContact SG-CB 3.39Å
156V86.1Confident81.7Confident72 Ų7270.5 Ų70.544%0.43641%0.408SS..EExtended strand (participates in β ladder)trans-113.9120.9175-172.90000108.2Y162 K163 T165V156-Y162 WeakPolarHBondContact O-CA 3.4Å; V156-K163 PolarHBondContact N-O 2.81Å; V156-K163 PolarHBondContact O-N 2.79Å; V156-T165 HydrophobicContact CG2-CG2 4.05Å
157E81.1Confident81.9Confident86 Ų8668.4 Ų68.440%0.40239%0.392SS..EExtended strand (participates in β ladder)trans-67.6149.1177-68.8-75.8-170.800111.3S142 E143 C144S142-E157 WeakPolarHBondContact CA-OE1 3.5Å; S142-E157 WeakPolarHBondContact CB-OE1 3.29Å; S142-E157 PolarHBondContact OG-OE1 3.47Å; E143-E157 PolarHBondContact N-OE2 3.21Å; C144-E157 HydrophobicContact CB-CG 4.14Å; C144-E157 WeakPolarHBondContact CB-OE1 3.46Å; C144-E157 PolarHBondContact N-OE1 3.03Å
158G74.3Confident81.6Confident28 Ų2870.6 Ų70.629%0.28940%0.398SS..EExtended strand (participates in β ladder)trans-151.7170.7174.400000110.4N160 Q161G158-N160 PolarHBondContact O-N 3.14Å; G158-Q161 CarbonylContact C-O 3.58Å; G158-Q161 VanDerWaalsContact C-O 3.22Å; G158-Q161 WeakPolarHBondContact CA-O 2.91Å; G158-Q161 PolarHBondContact N-O 3.09Å
159V68.2Low81.2Confident98 Ų9875 Ų7559%0.59442%0.421SS*.THydrogen-bonded Turntrans-76109.5-178.9-175.60000109.1Q161V159-Q161 VanDerWaalsContact C-N 3.27Å; V159-Q161 PolarHBondContact O-N 3.16Å
160N65.3Low80.6Confident68 Ų6877.8 Ų77.836%0.36443%0.429SS..THydrogen-bonded Turntrans65.220.9-177.3-158.765.7000115Q113 G114 E143 G158Q113-N160 HydrophobicContact CG-CB 4.48Å; G114-N160 WeakPolarHBondContact CA-OD1 3.37Å; G114-N160 PolarHBondContact N-OD1 2.97Å; E143-N160 VanDerWaalsContact OE1-C 3.23Å; E143-N160 VanDerWaalsContact OE1-CA 3.24Å; E143-N160 WeakPolarHBondContact OE1-CA 3.42Å; G158-N160 PolarHBondContact O-N 3.14Å
161Q72.7Confident80.1Confident140 Ų14074.8 Ų74.865%0.65442%0.419SS*.EExtended strand (participates in β ladder)trans-165.4146.6-179.862.6-179.413.900110.5E143 G158 V159E143-Q161 PolarHBondContact OE1-N 3.25Å; E143-Q161 PolarHBondContact OE2-N 2.9Å; G158-Q161 CarbonylContact C-O 3.58Å; G158-Q161 VanDerWaalsContact C-O 3.22Å; G158-Q161 WeakPolarHBondContact CA-O 2.91Å; G158-Q161 PolarHBondContact N-O 3.09Å; V159-Q161 VanDerWaalsContact C-N 3.27Å; V159-Q161 PolarHBondContact O-N 3.16Å
162Y83Confident79.6Confident67 Ų6772.8 Ų72.826%0.26342%0.416SS..EExtended strand (participates in β ladder)trans-116.7153.8167.567.1-74.2000110.2E143 P148 V156 H174E143-Y162 HydrophobicContact CB-CD1 3.34Å; E143-Y162 HydrophobicContact CB-CE1 4.16Å; E143-Y162 HydrophobicContact CB-CG 3.98Å; E143-Y162 HydrophobicContact CG-CD1 4.15Å; P148-Y162 HydrophobicContact CB-CD2 4.33Å; P148-Y162 HydrophobicContact CB-CE2 3.58Å; P148-Y162 HydrophobicContact CG-CD2 3.59Å; P148-Y162 HydrophobicContact CG-CE1 4.39Å; P148-Y162 HydrophobicContact CG-CE2 3.35Å; P148-Y162 HydrophobicContact CG-CG 4.21Å; V156-Y162 WeakPolarHBondContact O-CA 3.4Å; Y162-H174 AromaticContact CZ-CE1 3.87Å; Y162-H174 PolarHBondContact OH-CE1 2.92Å; Y162-H174 PolarHBondContact OH-ND1 2.81Å; Y162-H174 PolarHBondContact OH-NE2 2.85Å
163K82.5Confident79.3Confident145 Ų14571.7 Ų71.763%0.6340%0.397SS*.EExtended strand (participates in β ladder)trans-122.7122.8173.4-175.8174.5-179.7176.40109.6V156V156-K163 PolarHBondContact N-O 2.81Å; V156-K163 PolarHBondContact O-N 2.79Å
164C86.5Confident79.1Confident13 Ų1373.6 Ų73.69%0.08840%0.403CS..EExtended strand (participates in β ladder)trans-79.8126.3168.6-630000110C149 S173C149-C164 WeakPolarHBondContact CA-SG 3.36Å; C149-C164 HydrophobicContact CB-CB 3.84Å; C149-C164 WeakPolarHBondContact CB-SG 3.24Å; C149-C164 WeakPolarHBondContact SG-CA 3.43Å; C149-C164 WeakPolarHBondContact SG-CB 3.37Å; C149-C164 CovalentContact SG-SG 2.02Å; C149-C164 PolarHBondContact SG-SG 3.46Å; C164-S173 VanDerWaalsContact CB-O 3.25Å; C164-S173 WeakPolarHBondContact CB-O 3.42Å; C164-S173 PolarHBondContact SG-O 2.82Å
165T84.8Confident79Confident66 Ų6669.3 Ų69.341%0.40538%0.376SS..EExtended strand (participates in β ladder)trans-93.2112.9167.951.30000108.4G153 T154 V156G153-T165 WeakPolarHBondContact CA-O 3.49Å; T154-T165 WeakPolarHBondContact CB-OG1 3.37Å; T154-T165 PolarHBondContact N-O 2.78Å; T154-T165 PolarHBondContact O-N 3.46Å; T154-T165 PolarHBondContact O-OG1 2.88Å; V156-T165 HydrophobicContact CG2-CG2 4.05Å
166C84Confident78.6Confident44 Ų4470.4 Ų70.430%0.29738%0.378SS..  trans-90.2142.7-173.5-550000112W170 G172 C175C166-W170 HydrophobicContact CB-CB 4.24Å; C166-W170 WeakPolarHBondContact CB-O 3.29Å; C166-G172 PolarHBondContact SG-O 3.47Å; C166-C175 WeakPolarHBondContact CA-SG 3.28Å; C166-C175 HydrophobicContact CB-CB 3.78Å; C166-C175 WeakPolarHBondContact CB-SG 3.33Å; C166-C175 WeakPolarHBondContact SG-CA 3.31Å; C166-C175 WeakPolarHBondContact SG-CB 3.34Å; C166-C175 CovalentContact SG-SG 2.04Å; C166-C175 PolarHBondContact SG-SG 3.45Å
167P83Confident78Confident52 Ų5271 Ų7134%0.33838%0.376SS..  trans-60.1160.2168.3-19.230.4000111.5N169 W170P167-N169 PolarHBondContact O-N 2.61Å; P167-W170 PolarHBondContact O-N 2.91Å
168Q72.9Confident77.6Confident183 Ų18373 Ų7386%0.85539%0.385SS*.THydrogen-bonded Turntrans-51-22.6-172.9-70.8-72.2-39.100115.8
169N76.1Confident77Confident110 Ų11074.3 Ų74.359%0.58839%0.388SS*.THydrogen-bonded Turntrans-110.713.3-178.6-60.2-17.8000113.9P167 Q178 T179P167-N169 PolarHBondContact O-N 2.61Å; N169-Q178 CarbonylContact O-C 3.45Å; N169-Q178 WeakPolarHBondContact O-CA 3.34Å; N169-Q178 WeakPolarHBondContact O-CG 3.39Å; N169-T179 WeakPolarHBondContact CA-OG1 3.47Å; N169-T179 PolarHBondContact O-N 2.87Å; N169-T179 PolarHBondContact O-OG1 3.45Å
170W77.3Confident76.3Confident77 Ų7775.6 Ų75.629%0.29239%0.387SS..EExtended strand (participates in β ladder)trans-129150.1174.1-61.790.8000112.1N151 C166 P167 C175 H177 Q178 T179N151-W170 HydrophobicContact CB-CD2 3.48Å; N151-W170 VanDerWaalsContact CB-CD2 3.48Å; N151-W170 HydrophobicContact CB-CE3 3.69Å; N151-W170 HydrophobicContact CB-CG 4.01Å; N151-W170 HydrophobicContact CB-CH2 4Å; N151-W170 HydrophobicContact CB-CZ2 3.79Å; N151-W170 HydrophobicContact CB-CZ3 3.96Å; N151-W170 VanDerWaalsContact CG-CH2 3.44Å; N151-W170 WeakPolarHBondContact ND2-CZ3 3.4Å; C166-W170 HydrophobicContact CB-CB 4.24Å; C166-W170 WeakPolarHBondContact CB-O 3.29Å; P167-W170 PolarHBondContact O-N 2.91Å; W170-C175 HydrophobicContact CB-CB 4.1Å; W170-C175 VanDerWaalsContact CE3-O 3.3Å; W170-H177 CarbonylContact C-O 3.59Å; W170-H177 VanDerWaalsContact CA-O 3.28Å; W170-H177 WeakPolarHBondContact CA-O 3.29Å; W170-H177 VanDerWaalsContact CE3-C 3.42Å; W170-Q178 HydrophobicContact CE3-CB 4.16Å; W170-Q178 VanDerWaalsContact CE3-N 3.34Å; W170-Q178 HydrophobicContact CH2-CB 4.3Å; W170-Q178 HydrophobicContact CZ3-CB 3.97Å; W170-T179 VanDerWaalsContact CA-OG1 3.26Å; W170-T179 WeakPolarHBondContact CA-OG1 3.45Å; W170-T179 PolarHBondContact N-OG1 3.41Å; W170-T179 PolarHBondContact O-OG1 2.95Å
171S75.5Confident75.7Confident43 Ų4379.6 Ų79.630%0.30141%0.414SS..EExtended strand (participates in β ladder)trans-146.9170.3-175.761.60000110.5C175 Q176 H177S171-C175 CarbonylContact O-C 3.45Å; S171-C175 WeakPolarHBondContact O-CA 3.45Å; S171-Q176 PolarHBondContact O-N 3.27Å; S171-H177 PolarHBondContact N-O 2.79Å; S171-H177 WeakPolarHBondContact O-CB 3.49Å; S171-H177 PolarHBondContact O-N 2.79Å; S171-H177 PolarHBondContact OG-O 2.88Å
172G73.4Confident74.8Confident30 Ų3075.9 Ų75.931%0.30941%0.408SS..SBendtrans95.5163.6-172.200000113.4C166 H174 C175C166-G172 PolarHBondContact SG-O 3.47Å; G172-H174 PolarHBondContact O-N 2.86Å; G172-C175 PolarHBondContact O-N 2.91Å; G172-C175 VanDerWaalsContact O-N 3.08Å
173S75.9Confident72.9Confident43 Ų4375.8 Ų75.830%0.30142%0.415SS..THydrogen-bonded Turntrans-61.2-24.6-175.555.80000114.6C164C164-S173 VanDerWaalsContact CB-O 3.25Å; C164-S173 WeakPolarHBondContact CB-O 3.42Å; C164-S173 PolarHBondContact SG-O 2.82Å
174H83.3Confident71.3Confident55 Ų5570.8 Ų70.826%0.25540%0.397SS..THydrogen-bonded Turntrans-117.613.2176.6-58.5-101000112.4P148 Q150 Y162 G172 Q176P148-H174 WeakPolarHBondContact O-CB 3.37Å; P148-H174 PolarHBondContact O-ND1 2.84Å; Q150-H174 WeakPolarHBondContact CB-O 3.29Å; Q150-H174 PolarHBondContact N-O 2.79Å; Y162-H174 AromaticContact CZ-CE1 3.87Å; Y162-H174 PolarHBondContact OH-CE1 2.92Å; Y162-H174 PolarHBondContact OH-ND1 2.81Å; Y162-H174 PolarHBondContact OH-NE2 2.85Å; G172-H174 PolarHBondContact O-N 2.86Å; H174-Q176 VanDerWaalsContact CA-OE1 3.28Å; H174-Q176 VanDerWaalsContact CB-OE1 3.3Å; H174-Q176 PolarHBondContact O-N 3.43Å
175C84.6Confident69.5Low0 Ų079.4 Ų79.40%044%0.436CS..SBendtrans56.429.7-171.5-44.90000113.4Q150 N151 C166 W170 S171 G172Q150-C175 WeakPolarHBondContact O-CB 3.3Å; N151-C175 PolarHBondContact ND2-O 3.5Å; C166-C175 WeakPolarHBondContact CA-SG 3.28Å; C166-C175 HydrophobicContact CB-CB 3.78Å; C166-C175 WeakPolarHBondContact CB-SG 3.33Å; C166-C175 WeakPolarHBondContact SG-CA 3.31Å; C166-C175 WeakPolarHBondContact SG-CB 3.34Å; C166-C175 CovalentContact SG-SG 2.04Å; C166-C175 PolarHBondContact SG-SG 3.45Å; W170-C175 HydrophobicContact CB-CB 4.1Å; W170-C175 VanDerWaalsContact CE3-O 3.3Å; S171-C175 CarbonylContact O-C 3.45Å; S171-C175 WeakPolarHBondContact O-CA 3.45Å; G172-C175 PolarHBondContact O-N 2.91Å; G172-C175 VanDerWaalsContact O-N 3.08Å
176Q80.4Confident67.8Low58 Ų5884.2 Ų84.227%0.27145%0.447SS..  trans-78.7-20.4-176.872.3-82.415.200113.1S171 H174S171-Q176 PolarHBondContact O-N 3.27Å; H174-Q176 VanDerWaalsContact CA-OE1 3.28Å; H174-Q176 VanDerWaalsContact CB-OE1 3.3Å; H174-Q176 PolarHBondContact O-N 3.43Å
177H73.5Confident66Low86 Ų8683.1 Ų83.140%0.39844%0.44SS..EExtended strand (participates in β ladder)trans-101.5126.9-178.2-57.2-69000109.4W170 S171 T179W170-H177 CarbonylContact C-O 3.59Å; W170-H177 VanDerWaalsContact CA-O 3.28Å; W170-H177 WeakPolarHBondContact CA-O 3.29Å; W170-H177 VanDerWaalsContact CE3-C 3.42Å; S171-H177 PolarHBondContact N-O 2.79Å; S171-H177 WeakPolarHBondContact O-CB 3.49Å; S171-H177 PolarHBondContact O-N 2.79Å; S171-H177 PolarHBondContact OG-O 2.88Å; H177-T179 PolarHBondContact O-N 3.05Å
178Q71.8Confident64.6Low126 Ų12685.6 Ų85.659%0.58945%0.454SS*.EExtended strand (participates in β ladder)trans-62.4131.8165.1-165.3172.72.900107.2N169 W170 Q180N169-Q178 CarbonylContact O-C 3.45Å; N169-Q178 WeakPolarHBondContact O-CA 3.34Å; N169-Q178 WeakPolarHBondContact O-CG 3.39Å; W170-Q178 HydrophobicContact CE3-CB 4.16Å; W170-Q178 VanDerWaalsContact CE3-N 3.34Å; W170-Q178 HydrophobicContact CH2-CB 4.3Å; W170-Q178 HydrophobicContact CZ3-CB 3.97Å; Q178-Q180 VanDerWaalsContact C-N 3.29Å; Q178-Q180 PolarHBondContact O-N 3.44Å
179T61.7Low63.4Low57 Ų5782.4 Ų82.435%0.3544%0.44SS..  trans-64.594.9178.8-31.20000107.3N169 W170 H177 T181N169-T179 WeakPolarHBondContact CA-OG1 3.47Å; N169-T179 PolarHBondContact O-N 2.87Å; N169-T179 PolarHBondContact O-OG1 3.45Å; W170-T179 VanDerWaalsContact CA-OG1 3.26Å; W170-T179 WeakPolarHBondContact CA-OG1 3.45Å; W170-T179 PolarHBondContact N-OG1 3.41Å; W170-T179 PolarHBondContact O-OG1 2.95Å; H177-T179 PolarHBondContact O-N 3.05Å; T179-T181 PolarHBondContact O-N 2.86Å; T179-T181 VanDerWaalsContact O-N 3.13Å
180Q54.2Low62.2Low125 Ų12584.9 Ų84.958%0.58445%0.454SS*.  trans-74.2106.7178.2-61.3-176.1-8.900106.9Q178 A182Q178-Q180 VanDerWaalsContact C-N 3.29Å; Q178-Q180 PolarHBondContact O-N 3.44Å; Q180-A182 VanDerWaalsContact CB-O 3.23Å; Q180-A182 WeakPolarHBondContact CB-O 3.42Å; Q180-A182 PolarHBondContact O-N 3.3Å
181T52.9Low61.5Low152 Ų15284.1 Ų84.193%0.93346%0.456SS*.SBendtrans-736.7166.330.60000112.4T179T179-T181 PolarHBondContact O-N 2.86Å; T179-T181 VanDerWaalsContact O-N 3.13Å
182A53.5Low61.1Low62 Ų6287.5 Ų87.551%0.51248%0.476SS..SBendtrans-133.6139.717300000109.5Q180Q180-A182 VanDerWaalsContact CB-O 3.23Å; Q180-A182 WeakPolarHBondContact CB-O 3.42Å; Q180-A182 PolarHBondContact O-N 3.3Å
183P44.3Very low60.9Low64 Ų6488 Ų8842%0.41648%0.478SS..  trans-60.1144.9-178.920.7-29.2000112.1S218P183-S218 WeakPolarHBondContact CG-OG 3.38Å
184P48.2Very low61Low41 Ų4188.8 Ų88.827%0.26648%0.476SS..  trans-66.3148.9-173.724.6-33.5000112.9W186 S187P184-W186 HydrophobicContact CG-CZ2 4.03Å; P184-W186 PolarHBondContact O-N 3.24Å; P184-S187 VanDerWaalsContact O-CB 3.3Å; P184-S187 WeakPolarHBondContact O-CB 3.49Å; P184-S187 PolarHBondContact O-N 3.18Å; P184-S187 PolarHBondContact O-OG 2.92Å
185E48.3Very low60.8Low193 Ų19387.5 Ų87.590%0.90247%0.473SS*.G310 helixtrans-56.2-14.7-174.9-88.9-172.8145.300116.4S187E185-S187 VanDerWaalsContact C-N 3.3Å
186W49.8Very low60.6Low167 Ų16791.7 Ų91.763%0.63349%0.489SS*.G310 helixtrans-81.7-7.2173.662.7-93.9000113.4P184 V188P184-W186 HydrophobicContact CG-CZ2 4.03Å; P184-W186 PolarHBondContact O-N 3.24Å; W186-V188 PolarHBondContact O-N 2.69Å
187S45.4Very low60.4Low22 Ų2299.7 Ų99.715%0.15452%0.516CS..G310 helixtrans-69.3-9.3175.272.80000113.1P184 E185 M189 Q227P184-S187 VanDerWaalsContact O-CB 3.3Å; P184-S187 WeakPolarHBondContact O-CB 3.49Å; P184-S187 PolarHBondContact O-N 3.18Å; P184-S187 PolarHBondContact O-OG 2.92Å; E185-S187 VanDerWaalsContact C-N 3.3Å; S187-M189 VanDerWaalsContact C-N 3.33Å; S187-M189 PolarHBondContact O-N 3.34Å; S187-Q227 PolarHBondContact O-NE2 3.28Å; S187-Q227 PolarHBondContact OG-NE2 2.92Å; S187-Q227 PolarHBondContact OG-OE1 2.94Å
188V53.6Low60.7Low103 Ų10396.7 Ų96.762%0.62450%0.504SS*.  trans-92.965.6170.8-164.10000109.7W186W186-V188 PolarHBondContact O-N 2.69Å
189M47.3Very low61.2Low116 Ų11698.9 Ų98.957%0.57151%0.507SS*.  trans-80.3118.2156-76.8-157.976.100107.9S187 D191 S195S187-M189 VanDerWaalsContact C-N 3.33Å; S187-M189 PolarHBondContact O-N 3.34Å; M189-D191 HydrophobicContact CB-CB 4.19Å; M189-D191 HydrophobicContact CE-CB 4.41Å; M189-D191 PolarHBondContact O-N 3.43Å; M189-S195 PolarHBondContact O-OG 3.11Å; M189-S195 VanDerWaalsContact O-OG 3.11Å
190N52.6Low62Low163 Ų16399 Ų9987%0.87251%0.51SS*.  trans-63.623.9163.7-96.2-13.2000112.4P192N190-P192 WeakPolarHBondContact O-CD 3.45Å
191D62.1Low63.3Low61 Ų6195.7 Ų95.733%0.32650%0.504SS..  trans-84.6114.1174-168-27.1000108.8M189 A193 F194 S195M189-D191 HydrophobicContact CB-CB 4.19Å; M189-D191 HydrophobicContact CE-CB 4.41Å; M189-D191 PolarHBondContact O-N 3.43Å; D191-A193 PolarHBondContact O-N 2.68Å; D191-A193 VanDerWaalsContact OD1-CB 3.31Å; D191-A193 WeakPolarHBondContact OD1-CB 3.47Å; D191-A193 PolarHBondContact OD1-N 3.11Å; D191-F194 PolarHBondContact O-N 2.77Å; D191-S195 PolarHBondContact O-N 2.86Å
192P66.2Low64.3Low113 Ų11394.6 Ų94.673%0.73449%0.488SS*.THydrogen-bonded Turntrans-59-18.2179.6-19.931.5000114N190N190-P192 WeakPolarHBondContact O-CD 3.45Å
193A70.3Confident65.3Low41 Ų4195.2 Ų95.234%0.33949%0.485SS..THydrogen-bonded Turntrans-72.5-38.1179.200000112.4D191 P252D191-A193 PolarHBondContact O-N 2.68Å; D191-A193 VanDerWaalsContact OD1-CB 3.31Å; D191-A193 WeakPolarHBondContact OD1-CB 3.47Å; D191-A193 PolarHBondContact OD1-N 3.11Å; A193-P252 HydrophobicContact CB-CG 4.01Å; A193-P252 WeakPolarHBondContact O-CB 3.32Å; A193-P252 WeakPolarHBondContact O-CG 3.28Å
194F76.5Confident66.3Low60 Ų6099.5 Ų99.526%0.26351%0.505SS..THydrogen-bonded Turntrans-106.8-8.2-173.6-65.3-84.6000113.9D191 D228 P252D191-F194 PolarHBondContact O-N 2.77Å; F194-D228 HydrophobicContact CB-CB 4.09Å; F194-D228 HydrophobicContact CD1-CB 3.9Å; F194-D228 WeakPolarHBondContact CD1-OD2 3.36Å; F194-D228 WeakPolarHBondContact O-CB 3.37Å; F194-D228 PolarHBondContact O-N 2.76Å; F194-P252 HydrophobicContact CD1-CG 4.23Å; F194-P252 HydrophobicContact CE1-CG 3.96Å; F194-P252 HydrophobicContact CE2-CG 4.43Å; F194-P252 HydrophobicContact CZ-CG 4.07Å
195S79Confident67.3Low27 Ų27107.1 Ų107.119%0.18954%0.537CS..EExtended strand (participates in β ladder)trans-129.2124.2176.5-64.40000110.5M189 D191 C226M189-S195 PolarHBondContact O-OG 3.11Å; M189-S195 VanDerWaalsContact O-OG 3.11Å; D191-S195 PolarHBondContact O-N 2.86Å; S195-C226 WeakPolarHBondContact CA-O 2.86Å
196R80.3Confident68Low89 Ų89100.8 Ų100.834%0.33652%0.518SS..EExtended strand (participates in β ladder)trans-137.3163.2179.969.2-179.275.1-171.2-1.3112.7D212 F215 C226R196-D212 IonicContact CZ-OD2 2.78Å; R196-D212 IonicContact NH1-OD2 3.46Å; R196-D212 PolarHBondContact NH1-OD2 2.75Å; R196-F215 HydrophobicContact CG-CD1 4.25Å; R196-F215 HydrophobicContact CG-CE1 4.35Å; R196-F215 VanDerWaalsContact CZ-CE2 3.49Å; R196-F215 VanDerWaalsContact CZ-CZ 3.45Å; R196-F215 VanDerWaalsContact NE-CZ 3.32Å; R196-C226 HydrophobicContact CG-CB 3.84Å; R196-C226 PolarHBondContact N-O 2.9Å; R196-C226 WeakPolarHBondContact O-CA 3.39Å; R196-C226 WeakPolarHBondContact O-CB 3.32Å; R196-C226 PolarHBondContact O-N 2.83Å
197R76.9Confident69Low226 Ų22698.6 Ų98.685%0.85351%0.514SS*.  trans-79143.3176.2-64.5-174.3-178.7-150.5-0.8111
198P79.9Confident70.5Confident23 Ų23103.2 Ų103.215%0.14953%0.533CS..  trans-68.6151.1176.527.5-33.7000111.8C209 M217 S224 C226P198-C209 HydrophobicContact CB-CB 4.09Å; P198-C209 HydrophobicContact CG-CB 4.37Å; P198-M217 HydrophobicContact CB-CE 4.11Å; P198-S224 WeakPolarHBondContact CD-O 3.33Å; P198-S224 WeakPolarHBondContact CG-O 3.3Å; P198-C226 WeakPolarHBondContact CA-SG 3.26Å; P198-C226 VanDerWaalsContact CB-SG 3.58Å
199R81.6Confident71.7Confident171 Ų17199.5 Ų99.565%0.64551%0.512SS*.EExtended strand (participates in β ladder)trans-84.2114.7172.3-63-174.3-173.2-166.63.1108.2C209 S210 D212R199-C209 WeakPolarHBondContact O-CA 3.39Å; R199-S210 PolarHBondContact N-O 2.8Å; R199-S210 PolarHBondContact O-N 2.73Å; R199-D212 IonicContact CZ-OD1 3.35Å; R199-D212 IonicContact NE-OD1 3.14Å; R199-D212 PolarHBondContact NE-OD1 2.98Å; R199-D212 VanDerWaalsContact NE-OD1 3.14Å; R199-D212 IonicContact NH2-OD1 3.4Å; R199-D212 PolarHBondContact NH2-OD1 3.44Å; R199-D212 IonicContact NH2-OD2 3.8Å
200C80.3Confident73.4Confident61 Ų6196.7 Ų96.741%0.41250%0.503SS..EExtended strand (participates in β ladder)trans-109.5130.7-178.7-55.80000111Q207 H208 C209C200-Q207 HydrophobicContact CB-CG 4.14Å; C200-H208 CarbonylContact C-O 3.57Å; C200-H208 WeakPolarHBondContact CA-O 3.49Å; C200-C209 HydrophobicContact CB-CB 4.12Å; C200-C209 WeakPolarHBondContact CB-SG 3.28Å; C200-C209 WeakPolarHBondContact SG-CB 3.36Å; C200-C209 CovalentContact SG-SG 2.04Å; C200-C209 PolarHBondContact SG-SG 3.38Å
201A79.9Confident74.9Confident54 Ų5490.4 Ų90.445%0.44647%0.472SS..EExtended strand (participates in β ladder)trans-120.5145.117200000109.9V203 H208A201-V203 HydrophobicContact CB-CG2 4.49Å; A201-H208 PolarHBondContact N-O 2.76Å; A201-H208 PolarHBondContact O-N 3Å
202Q74.1Confident75.9Confident129 Ų12989.5 Ų89.560%0.60347%0.467SS*.EExtended strand (participates in β ladder)trans-84.3113.3174.1-72.8-67.3-41.900108.9
203V75.6Confident76.7Confident76 Ų7688.6 Ų88.646%0.46147%0.469SS..EExtended strand (participates in β ladder)trans-124.5116.1179-175.90000107.8A201 Q205 A206A201-V203 HydrophobicContact CB-CG2 4.49Å; V203-Q205 PolarHBondContact O-N 2.85Å; V203-A206 PolarHBondContact N-O 2.98Å; V203-A206 PolarHBondContact O-N 2.76Å; V203-A206 VanDerWaalsContact O-O 3.08Å
204N63.9Low77.3Confident154 Ų15487.9 Ų87.982%0.82447%0.465SS*.THydrogen-bonded Turntrans49.551.3175.4-58.3-29.3000114.5A206N204-A206 PolarHBondContact O-N 3.35Å; N204-A206 VanDerWaalsContact O-N 3.16Å
205Q69.4Low77.7Confident201 Ų20185.9 Ų85.994%0.93946%0.457SS*.THydrogen-bonded Turntrans66.65.1-179.8-55.4173.1-16.900115.6V203V203-Q205 PolarHBondContact O-N 2.85Å
206A63.3Low78Confident60 Ų6087.9 Ų87.950%0.49646%0.463SS..EExtended strand (participates in β ladder)trans-111.4139.1171.300000111.1V203 N204 H208V203-A206 PolarHBondContact N-O 2.98Å; V203-A206 PolarHBondContact O-N 2.76Å; V203-A206 VanDerWaalsContact O-O 3.08Å; N204-A206 PolarHBondContact O-N 3.35Å; N204-A206 VanDerWaalsContact O-N 3.16Å; A206-H208 PolarHBondContact O-N 2.75Å
207Q70.2Confident78Confident121 Ų12187.6 Ų87.657%0.56547%0.466SS*.EExtended strand (participates in β ladder)trans-81108.2172.9-173.6170.8-26.300109.1C200C200-Q207 HydrophobicContact CB-CG 4.14Å
208H78.4Confident78Confident118 Ų11878 Ų7855%0.54643%0.434SS..EExtended strand (participates in β ladder)trans-99.7114.9174.6-176.767.6000109.6C200 A201 A206C200-H208 CarbonylContact C-O 3.57Å; C200-H208 WeakPolarHBondContact CA-O 3.49Å; A201-H208 PolarHBondContact N-O 2.76Å; A201-H208 PolarHBondContact O-N 3Å; A206-H208 PolarHBondContact O-N 2.75Å
209C78.3Confident77.5Confident26 Ų2679.8 Ų79.818%0.17646%0.456CS..EExtended strand (participates in β ladder)trans-106.7138.9176.9-620000109.9P198 R199 C200 M217P198-C209 HydrophobicContact CB-CB 4.09Å; P198-C209 HydrophobicContact CG-CB 4.37Å; R199-C209 WeakPolarHBondContact O-CA 3.39Å; C200-C209 HydrophobicContact CB-CB 4.12Å; C200-C209 WeakPolarHBondContact CB-SG 3.28Å; C200-C209 WeakPolarHBondContact SG-CB 3.36Å; C200-C209 CovalentContact SG-SG 2.04Å; C200-C209 PolarHBondContact SG-SG 3.38Å; C209-M217 HydrophobicContact CB-CE 4.2Å; C209-M217 WeakPolarHBondContact O-CE 3.47Å
210S82.6Confident76.5Confident57 Ų5776.6 Ų76.640%0.39946%0.456SS..EExtended strand (participates in β ladder)trans-135.5153.817363.30000111.4R199R199-S210 PolarHBondContact N-O 2.8Å; R199-S210 PolarHBondContact O-N 2.73Å
211C83.6Confident75.4Confident31 Ų3178.3 Ų78.321%0.20947%0.469CS..PPolyproline II helixtrans-95.3155.3173.7-660000110.7F215 C226C211-F215 HydrophobicContact CB-CB 3.95Å; C211-C226 WeakPolarHBondContact CA-SG 3.48Å; C211-C226 HydrophobicContact CB-CB 3.79Å; C211-C226 WeakPolarHBondContact CB-SG 3.37Å; C211-C226 VanDerWaalsContact SG-CA 3.55Å; C211-C226 WeakPolarHBondContact SG-CB 3.47Å; C211-C226 CovalentContact SG-SG 2.03Å; C211-C226 PolarHBondContact SG-SG 2.81Å
212D84.1Confident74.6Confident42 Ų4282.9 Ų82.923%0.22549%0.486CS..PPolyproline II helixtrans-61.8154.9168.4-63.9-34.5000109.6R196 R199 F215R196-D212 IonicContact CZ-OD2 2.78Å; R196-D212 IonicContact NH1-OD2 3.46Å; R196-D212 PolarHBondContact NH1-OD2 2.75Å; R199-D212 IonicContact CZ-OD1 3.35Å; R199-D212 IonicContact NE-OD1 3.14Å; R199-D212 PolarHBondContact NE-OD1 2.98Å; R199-D212 VanDerWaalsContact NE-OD1 3.14Å; R199-D212 IonicContact NH2-OD1 3.4Å; R199-D212 PolarHBondContact NH2-OD1 3.44Å; R199-D212 IonicContact NH2-OD2 3.8Å; D212-F215 HydrophobicContact CB-CD2 4.22Å; D212-F215 WeakPolarHBondContact O-CB 3.47Å; D212-F215 PolarHBondContact O-N 2.85Å; D212-F215 VanDerWaalsContact O-N 3.14Å
213A83.5Confident74.3Confident94 Ų9482.4 Ų82.478%0.77749%0.487SS*.THydrogen-bonded Turntrans-56.9141.917700000111.1F215A213-F215 VanDerWaalsContact C-N 3.3Å
214G82.4Confident74.2Confident25 Ų2579.9 Ų79.926%0.25847%0.473SS..THydrogen-bonded Turntrans83.5-1.6-174.300000114.5V229G214-V229 WeakPolarHBondContact O-CB 3.42Å; G214-V229 WeakPolarHBondContact O-CG2 3.39Å; G214-V229 PolarHBondContact O-N 3.29Å
215F84.7Confident75Confident19 Ų1975.6 Ų75.68%0.08345%0.45CS..EExtended strand (participates in β ladder)trans-114.9139.5174.6-67.3-100.8000111.1R196 C211 D212 A213 C226 Q227 D228 P252R196-F215 HydrophobicContact CG-CD1 4.25Å; R196-F215 HydrophobicContact CG-CE1 4.35Å; R196-F215 VanDerWaalsContact CZ-CE2 3.49Å; R196-F215 VanDerWaalsContact CZ-CZ 3.45Å; R196-F215 VanDerWaalsContact NE-CZ 3.32Å; C211-F215 HydrophobicContact CB-CB 3.95Å; D212-F215 HydrophobicContact CB-CD2 4.22Å; D212-F215 WeakPolarHBondContact O-CB 3.47Å; D212-F215 PolarHBondContact O-N 2.85Å; D212-F215 VanDerWaalsContact O-N 3.14Å; A213-F215 VanDerWaalsContact C-N 3.3Å; F215-C226 HydrophobicContact CB-CB 3.98Å; F215-C226 HydrophobicContact CD1-CB 4.33Å; F215-C226 HydrophobicContact CG-CB 4.45Å; F215-Q227 CarbonylContact C-O 3.55Å; F215-Q227 VanDerWaalsContact CA-O 3.32Å; F215-Q227 WeakPolarHBondContact CA-O 3.44Å; F215-Q227 VanDerWaalsContact CD1-C 3.49Å; F215-D228 VanDerWaalsContact CD1-CA 3.49Å; F215-D228 HydrophobicContact CD1-CB 4.09Å; F215-D228 VanDerWaalsContact CD1-N 3.28Å; F215-D228 HydrophobicContact CE1-CB 3.68Å; F215-D228 HydrophobicContact CZ-CB 4.24Å; F215-P252 HydrophobicContact CZ-CB 4.31Å
216H84.8Confident75.7Confident69 Ų6966.1 Ų66.132%0.31941%0.405SS..EExtended strand (participates in β ladder)trans-102.7145.717276.9-70.4000110.5C226 Q227 V229H216-C226 CarbonylContact O-C 3.58Å; H216-C226 WeakPolarHBondContact O-CA 3.31Å; H216-Q227 WeakPolarHBondContact CE1-CB 3.36Å; H216-Q227 PolarHBondContact N-O 3.32Å; H216-Q227 PolarHBondContact ND1-O 3.44Å; H216-Q227 PolarHBondContact O-N 2.67Å; H216-V229 HydrophobicContact CB-CG2 3.73Å
217M80.6Confident76.7Confident82 Ų8263.8 Ų63.840%0.40438%0.384SS..EExtended strand (participates in β ladder)trans-85.4126178.4-163.4174.2-59.800109.8P198 C209P198-M217 HydrophobicContact CB-CE 4.11Å; C209-M217 HydrophobicContact CB-CE 4.2Å; C209-M217 WeakPolarHBondContact O-CE 3.47Å
218S77.1Confident77.5Confident25 Ų2558.9 Ų58.918%0.17536%0.362CS..EExtended strand (participates in β ladder)trans-129134.2177.6-175.80000109.1P183 I225P183-S218 WeakPolarHBondContact CG-OG 3.38Å; S218-I225 PolarHBondContact N-O 3.05Å; S218-I225 PolarHBondContact O-N 2.79Å; S218-I225 VanDerWaalsContact O-O 3.09Å
219G69.6Low77.9Confident60 Ų6055.5 Ų55.562%0.61935%0.349SS*.SBendtrans118.7175.9-178.900000115.1
220T60.8Low78.3Confident105 Ų10556.2 Ų56.264%0.64435%0.351SS*.  trans-90.2167.9179.550.70000111.8D222 N223 S224T220-D222 PolarHBondContact O-N 2.74Å; T220-N223 CarbonylContact O-C 3.54Å; T220-N223 PolarHBondContact O-N 2.82Å; T220-S224 PolarHBondContact O-N 2.84Å; T220-S224 PolarHBondContact O-OG 2.68Å
221S57.3Low78.5Confident96 Ų9654.9 Ų54.967%0.67134%0.339SS*.THydrogen-bonded Turntrans-48.5-31.4-173.656.40000115.1
222D61.5Low78.7Confident151 Ų15154.3 Ų54.381%0.80734%0.335SS*.THydrogen-bonded Turntrans-96.7-13.7-174.8-58.8-10.2000112.8T220T220-D222 PolarHBondContact O-N 2.74Å
223N68.9Low78.8Confident118 Ų11855.5 Ų55.563%0.63134%0.339SS*.SBendtrans-140.539.9-175.7-146.842.2000112.1T220T220-N223 CarbonylContact O-C 3.54Å; T220-N223 PolarHBondContact O-N 2.82Å
224S73.1Confident78.7Confident24 Ų2454.2 Ų54.217%0.16832%0.321CS..  trans-68.9129.2178.2-61.60000110.4P198 T220P198-S224 WeakPolarHBondContact CD-O 3.33Å; P198-S224 WeakPolarHBondContact CG-O 3.3Å; T220-S224 PolarHBondContact O-N 2.84Å; T220-S224 PolarHBondContact O-OG 2.68Å
225I80.6Confident78.7Confident64 Ų6457.5 Ų57.533%0.32833%0.327SS..EExtended strand (participates in β ladder)trans-122.5136.4178.9-61.9170.8000108.5S218 Q227S218-I225 PolarHBondContact N-O 3.05Å; S218-I225 PolarHBondContact O-N 2.79Å; S218-I225 VanDerWaalsContact O-O 3.09Å; I225-Q227 HydrophobicContact CG2-CG 4.19Å
226C83.8Confident78.3Confident1 Ų164.4 Ų64.41%0.00735%0.352CS..EExtended strand (participates in β ladder)trans-89.1113.3170.8-62.50000108.7S195 R196 P198 C211 F215 H216S195-C226 WeakPolarHBondContact CA-O 2.86Å; R196-C226 HydrophobicContact CG-CB 3.84Å; R196-C226 PolarHBondContact N-O 2.9Å; R196-C226 WeakPolarHBondContact O-CA 3.39Å; R196-C226 WeakPolarHBondContact O-CB 3.32Å; R196-C226 PolarHBondContact O-N 2.83Å; P198-C226 WeakPolarHBondContact CA-SG 3.26Å; P198-C226 VanDerWaalsContact CB-SG 3.58Å; C211-C226 WeakPolarHBondContact CA-SG 3.48Å; C211-C226 HydrophobicContact CB-CB 3.79Å; C211-C226 WeakPolarHBondContact CB-SG 3.37Å; C211-C226 VanDerWaalsContact SG-CA 3.55Å; C211-C226 WeakPolarHBondContact SG-CB 3.47Å; C211-C226 CovalentContact SG-SG 2.03Å; C211-C226 PolarHBondContact SG-SG 2.81Å; F215-C226 HydrophobicContact CB-CB 3.98Å; F215-C226 HydrophobicContact CD1-CB 4.33Å; F215-C226 HydrophobicContact CG-CB 4.45Å; H216-C226 CarbonylContact O-C 3.58Å; H216-C226 WeakPolarHBondContact O-CA 3.31Å
227Q84.3Confident77.7Confident12 Ų1265.4 Ų65.46%0.05636%0.36CS..EExtended strand (participates in β ladder)trans-103.4136.2176.7-72.8174-16.200109.3S187 F215 H216 I225 V229S187-Q227 PolarHBondContact O-NE2 3.28Å; S187-Q227 PolarHBondContact OG-NE2 2.92Å; S187-Q227 PolarHBondContact OG-OE1 2.94Å; F215-Q227 CarbonylContact C-O 3.55Å; F215-Q227 VanDerWaalsContact CA-O 3.32Å; F215-Q227 WeakPolarHBondContact CA-O 3.44Å; F215-Q227 VanDerWaalsContact CD1-C 3.49Å; H216-Q227 WeakPolarHBondContact CE1-CB 3.36Å; H216-Q227 PolarHBondContact N-O 3.32Å; H216-Q227 PolarHBondContact ND1-O 3.44Å; H216-Q227 PolarHBondContact O-N 2.67Å; I225-Q227 HydrophobicContact CG2-CG 4.19Å; Q227-V229 PolarHBondContact O-N 2.97Å
228D87.4Confident76.7Confident18 Ų1867.6 Ų67.610%0.09637%0.373CS..EExtended strand (participates in β ladder)trans-56135.8177-175.366000111.1F194 F215 N230 N250 G253F194-D228 HydrophobicContact CB-CB 4.09Å; F194-D228 HydrophobicContact CD1-CB 3.9Å; F194-D228 WeakPolarHBondContact CD1-OD2 3.36Å; F194-D228 WeakPolarHBondContact O-CB 3.37Å; F194-D228 PolarHBondContact O-N 2.76Å; F215-D228 VanDerWaalsContact CD1-CA 3.49Å; F215-D228 HydrophobicContact CD1-CB 4.09Å; F215-D228 VanDerWaalsContact CD1-N 3.28Å; F215-D228 HydrophobicContact CE1-CB 3.68Å; F215-D228 HydrophobicContact CZ-CB 4.24Å; D228-N230 PolarHBondContact O-N 3.07Å; D228-N250 PolarHBondContact OD2-ND2 3.07Å; D228-G253 WeakPolarHBondContact OD1-CA 2.99Å; D228-G253 PolarHBondContact OD1-N 3.02Å
229V86.7Confident75.8Confident47 Ų4773.4 Ų73.429%0.28540%0.397SS..  trans-88.2102.1173.6179.50000106.9G214 H216 Q227 E231 V234G214-V229 WeakPolarHBondContact O-CB 3.42Å; G214-V229 WeakPolarHBondContact O-CG2 3.39Å; G214-V229 PolarHBondContact O-N 3.29Å; H216-V229 HydrophobicContact CB-CG2 3.73Å; Q227-V229 PolarHBondContact O-N 2.97Å; V229-E231 PolarHBondContact O-N 2.85Å; V229-E231 VanDerWaalsContact O-OE2 3.04Å; V229-V234 HydrophobicContact CG1-CG2 4.06Å
230N86.8Confident75Confident40 Ų4073.1 Ų73.121%0.21439%0.394CS..  trans-69.194.4176.6-176.6-21.9000110.5D228 C232 E233 V234 N250D228-N230 PolarHBondContact O-N 3.07Å; N230-C232 PolarHBondContact O-N 2.83Å; N230-C232 VanDerWaalsContact OD1-CB 3.27Å; N230-C232 WeakPolarHBondContact OD1-CB 3.33Å; N230-C232 PolarHBondContact OD1-N 3.11Å; N230-C232 VanDerWaalsContact OD1-N 3.15Å; N230-E233 HydrophobicContact CB-CB 4.38Å; N230-E233 PolarHBondContact O-N 3.27Å; N230-E233 VanDerWaalsContact O-N 3.16Å; N230-E233 PolarHBondContact OD1-N 2.83Å; N230-E233 VanDerWaalsContact OD1-N 3.1Å; N230-V234 WeakPolarHBondContact O-CG2 3.28Å; N230-V234 PolarHBondContact O-N 2.81Å; N230-N250 WeakPolarHBondContact CA-OD1 3.46Å
231E88.2Confident75.2Confident29 Ų2970.5 Ų70.514%0.13639%0.388CS..Hα-helixtrans-66.4-28.1-176.2-5693.315600111.7V229 E233 V234 Y235 L243 N250 S254 Y255V229-E231 PolarHBondContact O-N 2.85Å; V229-E231 VanDerWaalsContact O-OE2 3.04Å; E231-E233 VanDerWaalsContact C-N 3.32Å; E231-E233 PolarHBondContact O-N 2.89Å; E231-V234 PolarHBondContact O-N 2.87Å; E231-Y235 HydrophobicContact CB-CD2 4.44Å; E231-Y235 WeakPolarHBondContact O-CD2 3.28Å; E231-Y235 PolarHBondContact O-N 2.78Å; E231-L243 HydrophobicContact CB-CD2 4.02Å; E231-N250 PolarHBondContact OE2-OD1 3.47Å; E231-S254 WeakPolarHBondContact OE1-CA 3.25Å; E231-S254 VanDerWaalsContact OE2-C 3.25Å; E231-Y255 HydrophobicContact CB-CD1 3.59Å; E231-Y255 HydrophobicContact CB-CE1 4.11Å; E231-Y255 HydrophobicContact CB-CG 4.19Å; E231-Y255 HydrophobicContact CG-CD1 3.8Å; E231-Y255 HydrophobicContact CG-CE1 4.26Å
232C87.6Confident75.9Confident19 Ų1973.5 Ų73.513%0.12839%0.389CS..Hα-helixtrans-60.3-42.9174.8-57.20000111.3N230 R236 C248N230-C232 PolarHBondContact O-N 2.83Å; N230-C232 VanDerWaalsContact OD1-CB 3.27Å; N230-C232 WeakPolarHBondContact OD1-CB 3.33Å; N230-C232 PolarHBondContact OD1-N 3.11Å; N230-C232 VanDerWaalsContact OD1-N 3.15Å; C232-R236 VanDerWaalsContact O-CB 3.24Å; C232-R236 WeakPolarHBondContact O-CB 3.45Å; C232-R236 PolarHBondContact O-N 2.76Å; C232-C248 WeakPolarHBondContact CA-SG 3.38Å; C232-C248 HydrophobicContact CB-CB 3.72Å; C232-C248 WeakPolarHBondContact CB-SG 3.26Å; C232-C248 WeakPolarHBondContact SG-CB 3.33Å; C232-C248 PolarHBondContact SG-O 3.15Å; C232-C248 CovalentContact SG-SG 2.04Å; C232-C248 PolarHBondContact SG-SG 2.92Å
233E84.8Confident77Confident67 Ų6766.9 Ų66.931%0.31335%0.353SS..Hα-helixtrans-74.8-38.8176.6-74.4-60142.700112.4N230 E231 Y235 R236 L237N230-E233 HydrophobicContact CB-CB 4.38Å; N230-E233 PolarHBondContact O-N 3.27Å; N230-E233 VanDerWaalsContact O-N 3.16Å; N230-E233 PolarHBondContact OD1-N 2.83Å; N230-E233 VanDerWaalsContact OD1-N 3.1Å; E231-E233 VanDerWaalsContact C-N 3.32Å; E231-E233 PolarHBondContact O-N 2.89Å; E233-Y235 PolarHBondContact O-N 2.75Å; E233-R236 PolarHBondContact O-N 2.97Å; E233-R236 IonicContact OE1-NE 3.8Å; E233-R236 PolarHBondContact OE1-NE 3.48Å; E233-R236 IonicContact OE2-CZ 2.88Å; E233-R236 VanDerWaalsContact OE2-CZ 3.25Å; E233-R236 IonicContact OE2-NE 3.48Å; E233-R236 PolarHBondContact OE2-NE 3.41Å; E233-R236 IonicContact OE2-NH2 3.25Å; E233-R236 PolarHBondContact OE2-NH2 2.83Å; E233-L237 VanDerWaalsContact O-CG 3.3Å; E233-L237 WeakPolarHBondContact O-CG 3.32Å; E233-L237 PolarHBondContact O-N 2.83Å; E233-L237 VanDerWaalsContact O-N 3.11Å
234V82.9Confident78Confident67 Ų6761.5 Ų61.541%0.40633%0.325SS..Hα-helixtrans-57.9-52.6177.7172.90000110.5V229 N230 E231 R236 L237 D238V229-V234 HydrophobicContact CG1-CG2 4.06Å; N230-V234 WeakPolarHBondContact O-CG2 3.28Å; N230-V234 PolarHBondContact O-N 2.81Å; E231-V234 PolarHBondContact O-N 2.87Å; V234-R236 VanDerWaalsContact C-N 3.32Å; V234-R236 PolarHBondContact O-N 3.33Å; V234-L237 PolarHBondContact O-N 3.03Å; V234-D238 PolarHBondContact O-N 2.83Å; V234-D238 VanDerWaalsContact O-N 3.16Å
235Y80.4Confident78.7Confident95 Ų9562.4 Ų62.437%0.37333%0.33SS..Hα-helixtrans-70.9-26.1179.9-83.6-89.5000113.5E231 E233 L237 L243E231-Y235 HydrophobicContact CB-CD2 4.44Å; E231-Y235 WeakPolarHBondContact O-CD2 3.28Å; E231-Y235 PolarHBondContact O-N 2.78Å; E233-Y235 PolarHBondContact O-N 2.75Å; Y235-L237 VanDerWaalsContact C-N 3.25Å; Y235-L237 PolarHBondContact O-N 2.73Å; Y235-L243 HydrophobicContact CD1-CB 4.4Å; Y235-L243 HydrophobicContact CD1-CD1 4.19Å; Y235-L243 HydrophobicContact CD2-CB 4.35Å; Y235-L243 HydrophobicContact CD2-CD1 3.76Å; Y235-L243 HydrophobicContact CD2-CD2 3.71Å; Y235-L243 HydrophobicContact CD2-CG 4.16Å; Y235-L243 HydrophobicContact CE1-CD1 4.25Å; Y235-L243 HydrophobicContact CE2-CD1 3.8Å; Y235-L243 HydrophobicContact CE2-CD2 4.36Å; Y235-L243 HydrophobicContact CG-CB 3.92Å; Y235-L243 HydrophobicContact CG-CD1 3.95Å; Y235-L243 HydrophobicContact CG-CD2 4.12Å; Y235-L243 HydrophobicContact CG-CG 4.23Å
236R78.3Confident79.1Confident163 Ų16363.1 Ų63.162%0.61533%0.331SS*.Hα-helixtrans-66-31.6173.1-164.7-176.868.570.24.7111.8C232 E233 V234C232-R236 VanDerWaalsContact O-CB 3.24Å; C232-R236 WeakPolarHBondContact O-CB 3.45Å; C232-R236 PolarHBondContact O-N 2.76Å; E233-R236 PolarHBondContact O-N 2.97Å; E233-R236 IonicContact OE1-NE 3.8Å; E233-R236 PolarHBondContact OE1-NE 3.48Å; E233-R236 IonicContact OE2-CZ 2.88Å; E233-R236 VanDerWaalsContact OE2-CZ 3.25Å; E233-R236 IonicContact OE2-NE 3.48Å; E233-R236 PolarHBondContact OE2-NE 3.41Å; E233-R236 IonicContact OE2-NH2 3.25Å; E233-R236 PolarHBondContact OE2-NH2 2.83Å; V234-R236 VanDerWaalsContact C-N 3.32Å; V234-R236 PolarHBondContact O-N 3.33Å
237L71.2Confident79.3Confident91 Ų9168.1 Ų68.148%0.47636%0.355SS..Hα-helixtrans-86.9-30.2-177.8-68.5168.3000113.3E233 V234 Y235 Q239E233-L237 VanDerWaalsContact O-CG 3.3Å; E233-L237 WeakPolarHBondContact O-CG 3.32Å; E233-L237 PolarHBondContact O-N 2.83Å; E233-L237 VanDerWaalsContact O-N 3.11Å; V234-L237 PolarHBondContact O-N 3.03Å; Y235-L237 VanDerWaalsContact C-N 3.25Å; Y235-L237 PolarHBondContact O-N 2.73Å; L237-Q239 PolarHBondContact O-N 3.25Å
238D60.2Low79.7Confident127 Ų12769.4 Ų69.468%0.67936%0.364SS*.SBendtrans-84.68.1-165.5-126.98.9000116.4V234 G240V234-D238 PolarHBondContact O-N 2.83Å; V234-D238 VanDerWaalsContact O-N 3.16Å; D238-G240 PolarHBondContact O-N 2.95Å
239Q57.6Low79.9Confident147 Ų14770.8 Ų70.869%0.68737%0.373SS*.  trans51.9-0.8-173.4-63-164.5-12.300115.9L237 G241L237-Q239 PolarHBondContact O-N 3.25Å; Q239-G241 PolarHBondContact O-N 2.77Å
240G53.3Low80.1Confident54 Ų5470.1 Ų70.156%0.55737%0.368SS*.SBendtrans-8047.3-178.300000113.7D238D238-G240 PolarHBondContact O-N 2.95Å
241G63.5Low80.2Confident50 Ų5070.4 Ų70.452%0.51537%0.371SS..  trans74.7165.2177.300000114.6Q239 L243Q239-G241 PolarHBondContact O-N 2.77Å; G241-L243 PolarHBondContact O-N 2.96Å
242K73.3Confident80.2Confident160 Ų16071.9 Ų71.970%0.69638%0.384SS*.  trans-75.2121.6173.8-68.4-176.2174.7-176.90109.2C244K242-C244 VanDerWaalsContact C-N 3.26Å; K242-C244 WeakPolarHBondContact CB-O 3.23Å; K242-C244 PolarHBondContact O-N 3.39Å
243L85.1Confident80.1Confident11 Ų1171.9 Ų71.96%0.05839%0.386CS..SBendtrans-56.3-41.2177.1-176.657.2000112.5E231 Y235 G241 Y255 R270E231-L243 HydrophobicContact CB-CD2 4.02Å; Y235-L243 HydrophobicContact CD1-CB 4.4Å; Y235-L243 HydrophobicContact CD1-CD1 4.19Å; Y235-L243 HydrophobicContact CD2-CB 4.35Å; Y235-L243 HydrophobicContact CD2-CD1 3.76Å; Y235-L243 HydrophobicContact CD2-CD2 3.71Å; Y235-L243 HydrophobicContact CD2-CG 4.16Å; Y235-L243 HydrophobicContact CE1-CD1 4.25Å; Y235-L243 HydrophobicContact CE2-CD1 3.8Å; Y235-L243 HydrophobicContact CE2-CD2 4.36Å; Y235-L243 HydrophobicContact CG-CB 3.92Å; Y235-L243 HydrophobicContact CG-CD1 3.95Å; Y235-L243 HydrophobicContact CG-CD2 4.12Å; Y235-L243 HydrophobicContact CG-CG 4.23Å; G241-L243 PolarHBondContact O-N 2.96Å; L243-Y255 HydrophobicContact CD1-CE1 4.42Å; L243-Y255 HydrophobicContact CD1-CE2 3.72Å; L243-Y255 WeakPolarHBondContact CD1-OH 3.33Å; L243-Y255 HydrophobicContact CD2-CD1 4.19Å; L243-Y255 HydrophobicContact CD2-CD2 3.59Å; L243-Y255 HydrophobicContact CD2-CE1 4.13Å; L243-Y255 HydrophobicContact CD2-CE2 3.52Å; L243-Y255 HydrophobicContact CD2-CG 3.94Å; L243-Y255 HydrophobicContact CG-CD2 3.99Å; L243-Y255 HydrophobicContact CG-CE2 3.49Å; L243-Y255 VanDerWaalsContact CG-CE2 3.49Å; L243-R270 WeakPolarHBondContact O-CD 3.47Å; L243-R270 WeakPolarHBondContact O-CG 3.47Å
244C88.9Confident80.3Confident6 Ų671.3 Ų71.34%0.04139%0.39CS..SBendtrans-119.1144.7175-58.20000109K242 H246 E247 C248 C257K242-C244 VanDerWaalsContact C-N 3.26Å; K242-C244 WeakPolarHBondContact CB-O 3.23Å; K242-C244 PolarHBondContact O-N 3.39Å; C244-H246 PolarHBondContact O-N 3.01Å; C244-E247 WeakPolarHBondContact CB-O 3.26Å; C244-C248 HydrophobicContact CB-CB 4.17Å; C244-C248 VanDerWaalsContact SG-CB 3.5Å; C244-C257 VanDerWaalsContact CA-SG 3.5Å; C244-C257 HydrophobicContact CB-CB 3.56Å; C244-C257 WeakPolarHBondContact CB-SG 3.49Å; C244-C257 WeakPolarHBondContact SG-CA 3.43Å; C244-C257 WeakPolarHBondContact SG-CB 3.14Å; C244-C257 CovalentContact SG-SG 2.02Å; C244-C257 PolarHBondContact SG-SG 3.33Å
245V88.5Confident80.8Confident42 Ų4270.6 Ų70.626%0.25538%0.38SS..SBendtrans-61.8-36.1177165.80000111.7R270 F443V245-R270 PolarHBondContact N-O 2.97Å; V245-F443 HydrophobicContact CG1-CB 3.47Å; V245-F443 VanDerWaalsContact CG1-CB 3.47Å; V245-F443 HydrophobicContact CG1-CD1 3.63Å; V245-F443 HydrophobicContact CG1-CD2 3.64Å; V245-F443 HydrophobicContact CG1-CE1 4.24Å; V245-F443 HydrophobicContact CG1-CE2 4.25Å; V245-F443 HydrophobicContact CG1-CG 3.29Å
246H87.7Confident81.3Confident79 Ų7970.4 Ų70.437%0.36638%0.383SS..SBendtrans-116.8-94.2178.4-171.456.9000113.4C244 P260 Y441 F443C244-H246 PolarHBondContact O-N 3.01Å; H246-P260 VanDerWaalsContact CD2-CD 3.45Å; H246-P260 WeakPolarHBondContact CD2-CD 3.42Å; H246-Y441 AromaticContact CE1-CE1 3.87Å; H246-F443 HydrophobicContact CB-CE1 3.8Å; H246-F443 HydrophobicContact CB-CZ 4.01Å; H246-F443 AromaticContact CG-CE1 3.99Å; H246-F443 AromaticContact ND1-CE1 3.72Å
247E89.7Confident82.1Confident107 Ų10762.9 Ų62.950%0.536%0.355SS..EExtended strand (participates in β ladder)trans-108138.1-173.9179.6177.5-151.600110C244 V249 C257 S258C244-E247 WeakPolarHBondContact CB-O 3.26Å; E247-V249 HydrophobicContact CG-CG2 4.2Å; E247-C257 WeakPolarHBondContact O-CA 3.45Å; E247-S258 VanDerWaalsContact CB-OG 3.28Å; E247-S258 WeakPolarHBondContact CB-OG 3.1Å; E247-S258 WeakPolarHBondContact CG-OG 3.37Å; E247-S258 PolarHBondContact N-O 2.88Å; E247-S258 PolarHBondContact O-N 2.8Å; E247-S258 PolarHBondContact OE2-OG 2.81Å
248C91.7Very high83.2Confident38 Ų3859.9 Ų59.926%0.25734%0.341SS..EExtended strand (participates in β ladder)trans-111.2124.2175.3-174.70000108.4C232 C244C232-C248 WeakPolarHBondContact CA-SG 3.38Å; C232-C248 HydrophobicContact CB-CB 3.72Å; C232-C248 WeakPolarHBondContact CB-SG 3.26Å; C232-C248 WeakPolarHBondContact SG-CB 3.33Å; C232-C248 PolarHBondContact SG-O 3.15Å; C232-C248 CovalentContact SG-SG 2.04Å; C232-C248 PolarHBondContact SG-SG 2.92Å; C244-C248 HydrophobicContact CB-CB 4.17Å; C244-C248 VanDerWaalsContact SG-CB 3.5Å
249V92Very high84.8Confident47 Ų4755.2 Ų55.229%0.28532%0.318SS..EExtended strand (participates in β ladder)trans-113.4114.3-179.8-176.90000108.6E247 Y255 H256E247-V249 HydrophobicContact CG-CG2 4.2Å; V249-Y255 WeakPolarHBondContact O-CA 3.03Å; V249-H256 VanDerWaalsContact CB-CE1 3.47Å; V249-H256 WeakPolarHBondContact CB-CE1 3.47Å; V249-H256 VanDerWaalsContact CG1-CE1 3.44Å; V249-H256 WeakPolarHBondContact CG1-CE1 3.46Å; V249-H256 PolarHBondContact N-O 3.37Å; V249-H256 PolarHBondContact O-N 3.24Å; V249-H256 PolarHBondContact O-ND1 3.03Å
250N89.5Confident86.4Confident33 Ų3348.8 Ų48.818%0.17629%0.29CS..EExtended strand (participates in β ladder)trans-71.1133.3176.5-167.450.3000110.5D228 N230 E231 S254D228-N250 PolarHBondContact OD2-ND2 3.07Å; N230-N250 WeakPolarHBondContact CA-OD1 3.46Å; E231-N250 PolarHBondContact OE2-OD1 3.47Å; N250-S254 PolarHBondContact OD1-O 3.37Å
251V90.4Very high88.2Confident46 Ų4651.5 Ų51.528%0.27930%0.3SS..EExtended strand (participates in β ladder)trans-130155.3176.4-64.70000109.6G253 S254 H256V251-G253 PolarHBondContact O-N 3.36Å; V251-S254 CarbonylContact C-O 3.53Å; V251-S254 VanDerWaalsContact CG2-C 3.46Å; V251-S254 VanDerWaalsContact CG2-O 3.23Å; V251-S254 WeakPolarHBondContact CG2-O 3.03Å; V251-S254 PolarHBondContact N-O 2.98Å; V251-S254 CarbonylContact O-C 3.54Å; V251-S254 PolarHBondContact O-N 3.4Å; V251-H256 WeakPolarHBondContact CG1-ND1 3.46Å
252P87.4Confident89.4Confident61 Ų6150.2 Ų50.240%0.39629%0.287SS..THydrogen-bonded Turntrans-54.4114.5179.6-32.339.4000114.2A193 F194 F215 S254A193-P252 HydrophobicContact CB-CG 4.01Å; A193-P252 WeakPolarHBondContact O-CB 3.32Å; A193-P252 WeakPolarHBondContact O-CG 3.28Å; F194-P252 HydrophobicContact CD1-CG 4.23Å; F194-P252 HydrophobicContact CE1-CG 3.96Å; F194-P252 HydrophobicContact CE2-CG 4.43Å; F194-P252 HydrophobicContact CZ-CG 4.07Å; F215-P252 HydrophobicContact CZ-CB 4.31Å; P252-S254 VanDerWaalsContact C-N 3.34Å
253G85.8Confident90.4Very high18 Ų1844 Ų4419%0.18626%0.259CS..THydrogen-bonded Turntrans80.45.6-179.800000115.2D228 V251D228-G253 WeakPolarHBondContact OD1-CA 2.99Å; D228-G253 PolarHBondContact OD1-N 3.02Å; V251-G253 PolarHBondContact O-N 3.36Å
254S89.9Confident90.7Very high55 Ų5548.5 Ų48.539%0.38528%0.278SS..EExtended strand (participates in β ladder)trans-166.7-168.9-179.8-1540000113.1E231 N250 V251 P252E231-S254 WeakPolarHBondContact OE1-CA 3.25Å; E231-S254 VanDerWaalsContact OE2-C 3.25Å; N250-S254 PolarHBondContact OD1-O 3.37Å; V251-S254 CarbonylContact C-O 3.53Å; V251-S254 VanDerWaalsContact CG2-C 3.46Å; V251-S254 VanDerWaalsContact CG2-O 3.23Å; V251-S254 WeakPolarHBondContact CG2-O 3.03Å; V251-S254 PolarHBondContact N-O 2.98Å; V251-S254 CarbonylContact O-C 3.54Å; V251-S254 PolarHBondContact O-N 3.4Å; P252-S254 VanDerWaalsContact C-N 3.34Å
255Y91.5Very high91Very high53 Ų5351.7 Ų51.721%0.20830%0.295CS..EExtended strand (participates in β ladder)trans-139.6162.7169.866.5-77.2000108.9E231 L243 V249 R270E231-Y255 HydrophobicContact CB-CD1 3.59Å; E231-Y255 HydrophobicContact CB-CE1 4.11Å; E231-Y255 HydrophobicContact CB-CG 4.19Å; E231-Y255 HydrophobicContact CG-CD1 3.8Å; E231-Y255 HydrophobicContact CG-CE1 4.26Å; L243-Y255 HydrophobicContact CD1-CE1 4.42Å; L243-Y255 HydrophobicContact CD1-CE2 3.72Å; L243-Y255 WeakPolarHBondContact CD1-OH 3.33Å; L243-Y255 HydrophobicContact CD2-CD1 4.19Å; L243-Y255 HydrophobicContact CD2-CD2 3.59Å; L243-Y255 HydrophobicContact CD2-CE1 4.13Å; L243-Y255 HydrophobicContact CD2-CE2 3.52Å; L243-Y255 HydrophobicContact CD2-CG 3.94Å; L243-Y255 HydrophobicContact CG-CD2 3.99Å; L243-Y255 HydrophobicContact CG-CE2 3.49Å; L243-Y255 VanDerWaalsContact CG-CE2 3.49Å; V249-Y255 WeakPolarHBondContact O-CA 3.03Å; Y255-R270 PolarHBondContact OH-NH2 2.04Å
256H92.8Very high91.3Very high91 Ų9152.5 Ų52.542%0.42130%0.297SS..EExtended strand (participates in β ladder)trans-136.3151.3163.568.5-70.9000110.1V249 V251V249-H256 VanDerWaalsContact CB-CE1 3.47Å; V249-H256 WeakPolarHBondContact CB-CE1 3.47Å; V249-H256 VanDerWaalsContact CG1-CE1 3.44Å; V249-H256 WeakPolarHBondContact CG1-CE1 3.46Å; V249-H256 PolarHBondContact N-O 3.37Å; V249-H256 PolarHBondContact O-N 3.24Å; V249-H256 PolarHBondContact O-ND1 3.03Å; V251-H256 WeakPolarHBondContact CG1-ND1 3.46Å
257C94.6Very high91.5Very high5 Ų555.3 Ų55.33%0.03432%0.322CS..EExtended strand (participates in β ladder)trans-90.2138.8175.1-57.70000110.1C244 E247 L265 G269C244-C257 VanDerWaalsContact CA-SG 3.5Å; C244-C257 HydrophobicContact CB-CB 3.56Å; C244-C257 WeakPolarHBondContact CB-SG 3.49Å; C244-C257 WeakPolarHBondContact SG-CA 3.43Å; C244-C257 WeakPolarHBondContact SG-CB 3.14Å; C244-C257 CovalentContact SG-SG 2.02Å; C244-C257 PolarHBondContact SG-SG 3.33Å; E247-C257 WeakPolarHBondContact O-CA 3.45Å; C257-L265 HydrophobicContact CB-CD1 3.89Å; C257-L265 WeakPolarHBondContact O-CD2 3.48Å; C257-G269 VanDerWaalsContact CB-O 3.25Å; C257-G269 WeakPolarHBondContact CB-O 3.44Å; C257-G269 PolarHBondContact SG-O 3.4Å
258S93.3Very high91.6Very high27 Ų2754 Ų5419%0.18932%0.319CS..EExtended strand (participates in β ladder)trans-115.214117355.90000110.4E247E247-S258 VanDerWaalsContact CB-OG 3.28Å; E247-S258 WeakPolarHBondContact CB-OG 3.1Å; E247-S258 WeakPolarHBondContact CG-OG 3.37Å; E247-S258 PolarHBondContact N-O 2.88Å; E247-S258 PolarHBondContact O-N 2.8Å; E247-S258 PolarHBondContact OE2-OG 2.81Å
259C93.8Very high91.6Very high29 Ų2953.6 Ų53.620%0.19632%0.321CS..PPolyproline II helixtrans-101.3150.5177.5-66.20000110.4C272C259-C272 WeakPolarHBondContact CA-SG 3.33Å; C259-C272 HydrophobicContact CB-CB 3.88Å; C259-C272 WeakPolarHBondContact CB-SG 3.34Å; C259-C272 WeakPolarHBondContact SG-CA 3.44Å; C259-C272 WeakPolarHBondContact SG-CB 3.19Å; C259-C272 CovalentContact SG-SG 2.04Å; C259-C272 PolarHBondContact SG-SG 3.45Å
260P92Very high91.5Very high13 Ų1356.1 Ų56.18%0.08433%0.326CS..PPolyproline II helixtrans-67.7168.117723.1-22.2000111.2H246 G262 Y263 Y441 F443H246-P260 VanDerWaalsContact CD2-CD 3.45Å; H246-P260 WeakPolarHBondContact CD2-CD 3.42Å; P260-G262 PolarHBondContact O-N 2.85Å; P260-Y263 HydrophobicContact CB-CD2 4.41Å; P260-Y263 HydrophobicContact CG-CD2 3.67Å; P260-Y263 HydrophobicContact CG-CE2 4.14Å; P260-Y263 HydrophobicContact CG-CG 4.23Å; P260-Y263 WeakPolarHBondContact O-CB 3.49Å; P260-Y263 PolarHBondContact O-N 2.82Å; P260-Y441 HydrophobicContact CB-CE1 3.77Å; P260-Y441 HydrophobicContact CB-CE2 4.06Å; P260-Y441 VanDerWaalsContact CB-CZ 3.45Å; P260-Y441 WeakPolarHBondContact CB-OH 3.39Å; P260-Y441 HydrophobicContact CG-CD1 4.17Å; P260-Y441 HydrophobicContact CG-CD2 4.34Å; P260-Y441 HydrophobicContact CG-CE1 3.8Å; P260-Y441 HydrophobicContact CG-CE2 3.99Å; P260-Y441 HydrophobicContact CG-CG 4.44Å; P260-F443 HydrophobicContact CG-CZ 3.72Å
261S90.1Very high91.6Very high110 Ų11056.3 Ų56.377%0.76933%0.329SS*.THydrogen-bonded Turntrans-55.3137.3175.5-63.30000111.1Y263S261-Y263 VanDerWaalsContact C-N 3.32Å
262G89.9Confident91.7Very high24 Ų2455 Ų5525%0.24732%0.322CS..THydrogen-bonded Turntrans85.5-0.6-17500000114.4P260 V275P260-G262 PolarHBondContact O-N 2.85Å; G262-V275 WeakPolarHBondContact O-CB 3.37Å; G262-V275 WeakPolarHBondContact O-CG2 3.4Å; G262-V275 PolarHBondContact O-N 2.81Å
263Y93Very high91.9Very high28 Ų2856.1 Ų56.111%0.1132%0.322CS..EExtended strand (participates in β ladder)trans-122152.3176.6-65.4-100.1000111.4P260 S261 C272 E273 D274 G295 G296 Y441 F443P260-Y263 HydrophobicContact CB-CD2 4.41Å; P260-Y263 HydrophobicContact CG-CD2 3.67Å; P260-Y263 HydrophobicContact CG-CE2 4.14Å; P260-Y263 HydrophobicContact CG-CG 4.23Å; P260-Y263 WeakPolarHBondContact O-CB 3.49Å; P260-Y263 PolarHBondContact O-N 2.82Å; S261-Y263 VanDerWaalsContact C-N 3.32Å; Y263-C272 HydrophobicContact CD1-CB 4.29Å; Y263-E273 CarbonylContact C-O 3.51Å; Y263-E273 VanDerWaalsContact CA-O 3.3Å; Y263-E273 WeakPolarHBondContact CA-O 3.15Å; Y263-D274 HydrophobicContact CD1-CB 4.07Å; Y263-D274 HydrophobicContact CE1-CB 3.82Å; Y263-G295 VanDerWaalsContact OH-C 3.22Å; Y263-G295 VanDerWaalsContact OH-CA 3.31Å; Y263-G295 WeakPolarHBondContact OH-CA 3.44Å; Y263-G296 PolarHBondContact OH-N 3.05Å; Y263-Y441 AromaticContact CE2-CD2 3.72Å; Y263-Y441 HydrophobicContact CE2-CD2 3.72Å; Y263-Y441 AromaticContact CE2-CE2 3.87Å; Y263-Y441 HydrophobicContact CE2-CE2 3.87Å; Y263-F443 AromaticContact CD1-CE2 3.85Å; Y263-F443 HydrophobicContact CD1-CE2 3.85Å; Y263-F443 HydrophobicContact CE1-CD2 4.39Å; Y263-F443 AromaticContact CE1-CE2 3.72Å; Y263-F443 HydrophobicContact CE1-CE2 3.72Å; Y263-F443 HydrophobicContact CG-CE2 4.4Å
264K92.7Very high92.2Very high106 Ų10657 Ų5746%0.46132%0.323SS..EExtended strand (participates in β ladder)trans-119.3148.2174.359.9175.3177.7162.40110.5C272 E273 V275K264-C272 WeakPolarHBondContact O-CA 3.36Å; K264-E273 WeakPolarHBondContact CE-OE2 3.46Å; K264-E273 HydrophobicContact CG-CB 4.37Å; K264-E273 PolarHBondContact N-O 3.14Å; K264-E273 IonicContact NZ-OE2 2.79Å; K264-E273 PolarHBondContact NZ-OE2 3.39Å; K264-E273 PolarHBondContact O-N 3Å; K264-V275 HydrophobicContact CB-CG2 4.07Å; K264-V275 HydrophobicContact CD-CG2 4.39Å; K264-V275 HydrophobicContact CG-CG2 4.02Å
265L94.6Very high92.3Very high73 Ų7356.3 Ų56.338%0.38232%0.315SS..EExtended strand (participates in β ladder)trans-74.6131.7176.5-163.870.1000109.9C257C257-L265 HydrophobicContact CB-CD1 3.89Å; C257-L265 WeakPolarHBondContact O-CD2 3.48Å
266L94.1Very high92.4Very high59 Ų5955.9 Ų55.931%0.30932%0.317SS..  trans-74.2165.3175.9-80.3170.5000111.3D268 G269 S271 E273L266-D268 WeakPolarHBondContact CB-OD1 3.37Å; L266-D268 PolarHBondContact O-N 2.92Å; L266-G269 PolarHBondContact O-N 2.98Å; L266-S271 WeakPolarHBondContact CB-O 3.31Å; L266-S271 PolarHBondContact N-O 2.82Å; L266-E273 HydrophobicContact CD1-CB 4.18Å; L266-E273 HydrophobicContact CD2-CB 3.96Å; L266-E273 HydrophobicContact CG-CB 3.9Å
267P93.8Very high92.4Very high138 Ų13852.7 Ų52.790%0.89630%0.302SS*.THydrogen-bonded Turntrans-61.2-15.6179.9-23.934.5000114.6G269P267-G269 PolarHBondContact O-N 3.28Å
268D91.8Very high92.3Very high80 Ų8053.5 Ų53.543%0.42831%0.307SS..THydrogen-bonded Turntrans-71.7-11.1172.970.7-20.5000112.9L266 R270 S271L266-D268 WeakPolarHBondContact CB-OD1 3.37Å; L266-D268 PolarHBondContact O-N 2.92Å; D268-R270 PolarHBondContact O-N 2.85Å; D268-R270 PolarHBondContact OD1-N 3.44Å; D268-R270 VanDerWaalsContact OD1-N 3.12Å; D268-S271 PolarHBondContact OD1-N 3.14Å; D268-S271 WeakPolarHBondContact OD2-CB 3.37Å; D268-S271 PolarHBondContact OD2-N 2.94Å; D268-S271 VanDerWaalsContact OD2-N 3.14Å; D268-S271 PolarHBondContact OD2-OG 3.05Å
269G90.6Very high92.3Very high29 Ų2958.7 Ų58.730%0.29933%0.332SS..SBendtrans68.611.8-179.500000113.8C257 L266 P267C257-G269 VanDerWaalsContact CB-O 3.25Å; C257-G269 WeakPolarHBondContact CB-O 3.44Å; C257-G269 PolarHBondContact SG-O 3.4Å; L266-G269 PolarHBondContact O-N 2.98Å; P267-G269 PolarHBondContact O-N 3.28Å
270R90.3Very high92Very high101 Ų10160.3 Ų60.338%0.38134%0.344SS..SBendtrans-134.7-32.3-171.7-68179.8176.4-175.8-2.6114L243 V245 Y255 D268L243-R270 WeakPolarHBondContact O-CD 3.47Å; L243-R270 WeakPolarHBondContact O-CG 3.47Å; V245-R270 PolarHBondContact N-O 2.97Å; Y255-R270 PolarHBondContact OH-NH2 2.04Å; D268-R270 PolarHBondContact O-N 2.85Å; D268-R270 PolarHBondContact OD1-N 3.44Å; D268-R270 VanDerWaalsContact OD1-N 3.12Å
271S91.1Very high91.5Very high36 Ų3666.4 Ų66.425%0.25237%0.371SS..  trans-97.3146.7-176.1-58.80000111.7L266 D268L266-S271 WeakPolarHBondContact CB-O 3.31Å; L266-S271 PolarHBondContact N-O 2.82Å; D268-S271 PolarHBondContact OD1-N 3.14Å; D268-S271 WeakPolarHBondContact OD2-CB 3.37Å; D268-S271 PolarHBondContact OD2-N 2.94Å; D268-S271 VanDerWaalsContact OD2-N 3.14Å; D268-S271 PolarHBondContact OD2-OG 3.05Å
272C92.3Very high91.3Very high18 Ų1868.2 Ų68.212%0.12237%0.366CS..EExtended strand (participates in β ladder)trans-106.4128.6178-63.30000109.8C259 Y263 K264 F443C259-C272 WeakPolarHBondContact CA-SG 3.33Å; C259-C272 HydrophobicContact CB-CB 3.88Å; C259-C272 WeakPolarHBondContact CB-SG 3.34Å; C259-C272 WeakPolarHBondContact SG-CA 3.44Å; C259-C272 WeakPolarHBondContact SG-CB 3.19Å; C259-C272 CovalentContact SG-SG 2.04Å; C259-C272 PolarHBondContact SG-SG 3.45Å; Y263-C272 HydrophobicContact CD1-CB 4.29Å; K264-C272 WeakPolarHBondContact O-CA 3.36Å; C272-F443 HydrophobicContact CB-CD2 4.33Å; C272-F443 HydrophobicContact CB-CE2 3.72Å; C272-F443 HydrophobicContact CB-CZ 4.31Å
273E91.2Very high91.1Very high85 Ų8568.6 Ų68.640%0.39736%0.361SS..EExtended strand (participates in β ladder)trans-109.5135.3172.7-176.1179-135.700109.3Y263 K264 L266Y263-E273 CarbonylContact C-O 3.51Å; Y263-E273 VanDerWaalsContact CA-O 3.3Å; Y263-E273 WeakPolarHBondContact CA-O 3.15Å; K264-E273 WeakPolarHBondContact CE-OE2 3.46Å; K264-E273 HydrophobicContact CG-CB 4.37Å; K264-E273 PolarHBondContact N-O 3.14Å; K264-E273 IonicContact NZ-OE2 2.79Å; K264-E273 PolarHBondContact NZ-OE2 3.39Å; K264-E273 PolarHBondContact O-N 3Å; L266-E273 HydrophobicContact CD1-CB 4.18Å; L266-E273 HydrophobicContact CD2-CB 3.96Å; L266-E273 HydrophobicContact CG-CB 3.9Å
274D92.3Very high90.9Very high38 Ų3874.5 Ų74.520%0.20339%0.394CS..EExtended strand (participates in β ladder)trans-62.2138.3175.9-175.970.5000111.2Y263 D276 N293 G296Y263-D274 HydrophobicContact CD1-CB 4.07Å; Y263-D274 HydrophobicContact CE1-CB 3.82Å; D274-D276 PolarHBondContact O-N 2.84Å; D274-N293 PolarHBondContact OD2-ND2 2.86Å; D274-G296 PolarHBondContact OD1-N 3.46Å
275V92.4Very high90.9Very high39 Ų3970.6 Ų70.624%0.23638%0.38CS..  trans-89.9102.9177.6178.40000108.5G262 K264 E277G262-V275 WeakPolarHBondContact O-CB 3.37Å; G262-V275 WeakPolarHBondContact O-CG2 3.4Å; G262-V275 PolarHBondContact O-N 2.81Å; K264-V275 HydrophobicContact CB-CG2 4.07Å; K264-V275 HydrophobicContact CD-CG2 4.39Å; K264-V275 HydrophobicContact CG-CG2 4.02Å; V275-E277 PolarHBondContact O-N 2.99Å; V275-E277 VanDerWaalsContact O-OE2 3.08Å
276D93.7Very high90.8Very high45 Ų4571.5 Ų71.524%0.24139%0.392CS..  trans-68.998.8177.3-168.2-34.8000111.3D274 C278 L279 S280D274-D276 PolarHBondContact O-N 2.84Å; D276-C278 VanDerWaalsContact C-N 3.26Å; D276-C278 PolarHBondContact O-N 3.47Å; D276-C278 WeakPolarHBondContact OD1-CA 3.45Å; D276-C278 VanDerWaalsContact OD1-CB 3.24Å; D276-C278 WeakPolarHBondContact OD1-CB 3.04Å; D276-C278 PolarHBondContact OD1-N 2.95Å; D276-L279 HydrophobicContact CB-CB 4.16Å; D276-L279 HydrophobicContact CB-CD1 4.07Å; D276-L279 HydrophobicContact CB-CG 4.23Å; D276-L279 VanDerWaalsContact CG-CG 3.5Å; D276-L279 PolarHBondContact OD1-N 2.87Å; D276-L279 VanDerWaalsContact OD2-CD1 3.28Å; D276-L279 WeakPolarHBondContact OD2-CD1 3.41Å; D276-L279 WeakPolarHBondContact OD2-CG 3.02Å; D276-S280 VanDerWaalsContact O-CB 3.3Å; D276-S280 WeakPolarHBondContact O-CB 3.36Å; D276-S280 PolarHBondContact O-N 2.02Å; D276-S280 PolarHBondContact O-OG 3.35Å
277E93.5Very high90.4Very high24 Ų2480.9 Ų80.911%0.11242%0.424CS..THydrogen-bonded Turntrans-74.1-20.6179.3-55.492.3165.700112.7V275 Q281 K282 H283 N293 G297 F298V275-E277 PolarHBondContact O-N 2.99Å; V275-E277 VanDerWaalsContact O-OE2 3.08Å; E277-Q281 PolarHBondContact O-N 2.03Å; E277-Q281 VanDerWaalsContact O-N 3.11Å; E277-K282 HydrophobicContact CB-CB 4.32Å; E277-K282 PolarHBondContact O-N 3.46Å; E277-H283 HydrophobicContact CB-CB 4.41Å; E277-H283 PolarHBondContact O-CD2 3.25Å; E277-H283 PolarHBondContact O-N 2.87Å; E277-N293 PolarHBondContact OE2-OD1 3.47Å; E277-G297 WeakPolarHBondContact OE1-CA 3.34Å; E277-F298 HydrophobicContact CB-CB 4.32Å; E277-F298 HydrophobicContact CB-CD1 3.57Å; E277-F298 HydrophobicContact CB-CE1 4.26Å; E277-F298 HydrophobicContact CB-CG 4.14Å; E277-F298 HydrophobicContact CG-CD1 3.81Å; E277-F298 HydrophobicContact CG-CE1 4.41Å; E277-F298 PolarHBondContact OE2-N 2.84Å
278C92.6Very high90Very high21 Ų2177.5 Ų77.514%0.14241%0.414CS..THydrogen-bonded Turntrans-69.5-44.6175.5-590000110.7D276 Q281 C291 I292 N293D276-C278 VanDerWaalsContact C-N 3.26Å; D276-C278 PolarHBondContact O-N 3.47Å; D276-C278 WeakPolarHBondContact OD1-CA 3.45Å; D276-C278 VanDerWaalsContact OD1-CB 3.24Å; D276-C278 WeakPolarHBondContact OD1-CB 3.04Å; D276-C278 PolarHBondContact OD1-N 2.95Å; C278-Q281 PolarHBondContact O-NE2 3.24Å; C278-Q281 VanDerWaalsContact O-NE2 3.08Å; C278-C291 WeakPolarHBondContact CA-SG 3.35Å; C278-C291 HydrophobicContact CB-CB 3.76Å; C278-C291 WeakPolarHBondContact CB-SG 3.38Å; C278-C291 WeakPolarHBondContact SG-CB 3Å; C278-C291 CovalentContact SG-SG 2.04Å; C278-C291 PolarHBondContact SG-SG 3.03Å; C278-I292 VanDerWaalsContact SG-C 3.5Å; C278-N293 PolarHBondContact SG-N 2.92Å; C278-N293 VanDerWaalsContact SG-N 3.41Å
279L92.2Very high90Very high136 Ų13675.9 Ų75.971%0.71241%0.407SS*.THydrogen-bonded Turntrans-70.4-37.1173.5-68.4178.6000111.8D276 Q281D276-L279 HydrophobicContact CB-CB 4.16Å; D276-L279 HydrophobicContact CB-CD1 4.07Å; D276-L279 HydrophobicContact CB-CG 4.23Å; D276-L279 VanDerWaalsContact CG-CG 3.5Å; D276-L279 PolarHBondContact OD1-N 2.87Å; D276-L279 VanDerWaalsContact OD2-CD1 3.28Å; D276-L279 WeakPolarHBondContact OD2-CD1 3.41Å; D276-L279 WeakPolarHBondContact OD2-CG 3.02Å; L279-Q281 PolarHBondContact O-N 2.73Å
280S87.3Confident90.1Very high63 Ų6375.8 Ų75.844%0.44140%0.402SS..THydrogen-bonded Turntrans-77.5-2.7-178.9-56.20000114.2D276 K282D276-S280 VanDerWaalsContact O-CB 3.3Å; D276-S280 WeakPolarHBondContact O-CB 3.36Å; D276-S280 PolarHBondContact O-N 2.02Å; D276-S280 PolarHBondContact O-OG 3.35Å; S280-K282 PolarHBondContact O-N 2.79Å; S280-K282 VanDerWaalsContact O-N 3.11Å
281Q82.3Confident90.3Very high141 Ų14172.5 Ų72.566%0.65939%0.394SS*.THydrogen-bonded Turntrans55.624-175.8-62.9-68.7-68.100114E277 C278 L279 H283E277-Q281 PolarHBondContact O-N 2.03Å; E277-Q281 VanDerWaalsContact O-N 3.11Å; C278-Q281 PolarHBondContact O-NE2 3.24Å; C278-Q281 VanDerWaalsContact O-NE2 3.08Å; L279-Q281 PolarHBondContact O-N 2.73Å; Q281-H283 VanDerWaalsContact C-N 3.35Å; Q281-H283 PolarHBondContact NE2-NE2 2.84Å
282K85.7Confident90.5Very high149 Ų14972.1 Ų72.165%0.64839%0.388SS*.  trans-92.20.8177.1-69.3-179-178.4176.70112.9E277 S280 N284E277-K282 HydrophobicContact CB-CB 4.32Å; E277-K282 PolarHBondContact O-N 3.46Å; S280-K282 PolarHBondContact O-N 2.79Å; S280-K282 VanDerWaalsContact O-N 3.11Å; K282-N284 VanDerWaalsContact C-N 3.31Å; K282-N284 PolarHBondContact O-N 3.25Å
283H85.5Confident90.5Very high31 Ų3173.4 Ų73.414%0.14439%0.394CS..  trans-74.3-9.4-172.362.782.8000115.2E277 Q281 C285 C291 F298E277-H283 HydrophobicContact CB-CB 4.41Å; E277-H283 PolarHBondContact O-CD2 3.25Å; E277-H283 PolarHBondContact O-N 2.87Å; Q281-H283 VanDerWaalsContact C-N 3.35Å; Q281-H283 PolarHBondContact NE2-NE2 2.84Å; H283-C285 VanDerWaalsContact ND1-CB 3.3Å; H283-C285 WeakPolarHBondContact ND1-CB 3.45Å; H283-C285 PolarHBondContact ND1-N 3.12Å; H283-C285 PolarHBondContact ND1-SG 3.23Å; H283-C285 PolarHBondContact O-N 2.95Å; H283-C291 HydrophobicContact CB-CB 4.42Å; H283-C291 WeakPolarHBondContact CB-SG 3.42Å; H283-C291 VanDerWaalsContact CG-SG 3.53Å; H283-F298 VanDerWaalsContact CA-CZ 3.49Å; H283-F298 HydrophobicContact CB-CD1 4.26Å; H283-F298 HydrophobicContact CB-CD2 3.57Å; H283-F298 HydrophobicContact CB-CE1 4.35Å; H283-F298 HydrophobicContact CB-CE2 3.72Å; H283-F298 HydrophobicContact CB-CG 3.87Å; H283-F298 HydrophobicContact CB-CZ 4.1Å; H283-F298 WeakPolarHBondContact O-CE2 3.23Å; H283-F298 WeakPolarHBondContact O-CZ 3.4Å
284N89.4Confident90.5Very high152 Ų15270.2 Ų70.281%0.81338%0.38SS*.  trans42.531.6176.7-72.1-5000115.6K282K282-N284 VanDerWaalsContact C-N 3.31Å; K282-N284 PolarHBondContact O-N 3.25Å
285C91.4Very high90.2Very high25 Ų2569.3 Ų69.317%0.16938%0.381CS..PPolyproline II helixtrans-72.8141.9-174.7-710000110.8H283 T289 C300H283-C285 VanDerWaalsContact ND1-CB 3.3Å; H283-C285 WeakPolarHBondContact ND1-CB 3.45Å; H283-C285 PolarHBondContact ND1-N 3.12Å; H283-C285 PolarHBondContact ND1-SG 3.23Å; H283-C285 PolarHBondContact O-N 2.95Å; C285-T289 WeakPolarHBondContact CB-OG1 3.42Å; C285-C300 WeakPolarHBondContact CA-SG 3.36Å; C285-C300 HydrophobicContact CB-CB 3.84Å; C285-C300 WeakPolarHBondContact CB-SG 3.03Å; C285-C300 WeakPolarHBondContact SG-CB 3.38Å; C285-C300 CovalentContact SG-SG 2.03Å; C285-C300 PolarHBondContact SG-SG 2.97Å
286S92.9Very high90Very high91 Ų9168.7 Ų68.764%0.63638%0.382SS*.PPolyproline II helixtrans-61148.3176.7-70.80000111.7G288 T289S286-G288 PolarHBondContact O-N 2.86Å; S286-T289 PolarHBondContact N-OG1 2.58Å; S286-T289 PolarHBondContact O-N 2.96Å; S286-T289 VanDerWaalsContact O-N 3.08Å; S286-T289 PolarHBondContact O-OG1 2.92Å
287R86.1Confident89.8Confident257 Ų25767.2 Ų67.297%0.9738%0.378SS*.THydrogen-bonded Turntrans-56.8131.2178.1-62.5179.699125.40.8110.2
288G85.6Confident89.8Confident66 Ų6669.5 Ų69.568%0.6839%0.387SS*.THydrogen-bonded Turntrans90.2-2.4-178.100000115.1S286S286-G288 PolarHBondContact O-N 2.86Å
289T92.3Very high89.7Confident46 Ų4672.3 Ų72.328%0.28240%0.395SS..  trans-97.9151.8169.666.50000110.7C285 S286 N302C285-T289 WeakPolarHBondContact CB-OG1 3.42Å; S286-T289 PolarHBondContact N-OG1 2.58Å; S286-T289 PolarHBondContact O-N 2.96Å; S286-T289 VanDerWaalsContact O-N 3.08Å; S286-T289 PolarHBondContact O-OG1 2.92Å; T289-N302 HydrophobicContact CG2-CB 4.15Å
290S93Very high89.8Confident28 Ų2868.4 Ų68.420%0.19638%0.378CS..EExtended strand (participates in β ladder)trans-105.3137176-59.80000110C300 V301S290-C300 WeakPolarHBondContact O-CA 3.25Å; S290-V301 PolarHBondContact N-O 2.95Å; S290-V301 PolarHBondContact O-N 2.85Å
291C94.4Very high90.1Very high32 Ų3266.3 Ų66.322%0.21636%0.363CS..EExtended strand (participates in β ladder)trans-84.1132.5178.4-170.80000110.4C278 H283C278-C291 WeakPolarHBondContact CA-SG 3.35Å; C278-C291 HydrophobicContact CB-CB 3.76Å; C278-C291 WeakPolarHBondContact CB-SG 3.38Å; C278-C291 WeakPolarHBondContact SG-CB 3Å; C278-C291 CovalentContact SG-SG 2.04Å; C278-C291 PolarHBondContact SG-SG 3.03Å; H283-C291 HydrophobicContact CB-CB 4.42Å; H283-C291 WeakPolarHBondContact CB-SG 3.42Å; H283-C291 VanDerWaalsContact CG-SG 3.53Å
292I94.1Very high90.7Very high27 Ų2763.2 Ų63.214%0.13835%0.351CS..EExtended strand (participates in β ladder)trans-117.9121.4172.2-58.8-60.7000107.6C278 T294 F298 R299 V301 F320 Y345 L437C278-I292 VanDerWaalsContact SG-C 3.5Å; I292-T294 HydrophobicContact CG2-CG2 4.45Å; I292-F298 CarbonylContact O-C 3.49Å; I292-F298 WeakPolarHBondContact O-CA 3.38Å; I292-R299 PolarHBondContact N-O 2.71Å; I292-R299 PolarHBondContact O-N 2.98Å; I292-V301 HydrophobicContact CD1-CG2 4.2Å; I292-V301 HydrophobicContact CG1-CG1 4.2Å; I292-V301 HydrophobicContact CG1-CG2 3.54Å; I292-F320 HydrophobicContact CD1-CE1 3.98Å; I292-F320 HydrophobicContact CD1-CZ 3.72Å; I292-Y345 HydrophobicContact CD1-CD2 3.82Å; I292-Y345 HydrophobicContact CD1-CG 4.21Å; I292-Y345 HydrophobicContact CG1-CD2 3.94Å; I292-Y345 HydrophobicContact CG1-CG 3.98Å; I292-Y345 HydrophobicContact CG2-CG 4.22Å; I292-L437 HydrophobicContact CG2-CD1 4.42Å
293N92.3Very high91.1Very high45 Ų4556.6 Ų56.624%0.24132%0.323CS..EExtended strand (participates in β ladder)trans-73.3138.2175.4-166.740.7000110.4D274 E277 C278 G297D274-N293 PolarHBondContact OD2-ND2 2.86Å; E277-N293 PolarHBondContact OE2-OD1 3.47Å; C278-N293 PolarHBondContact SG-N 2.92Å; C278-N293 VanDerWaalsContact SG-N 3.41Å; N293-G297 PolarHBondContact OD1-O 3.28Å
294T90.6Very high91.4Very high18 Ų1862 Ų6211%0.1135%0.348CS..EExtended strand (participates in β ladder)trans-133.4158.5-178.361.10000110I292 G296 G297 R299 L437I292-T294 HydrophobicContact CG2-CG2 4.45Å; T294-G296 PolarHBondContact O-N 3.03Å; T294-G297 CarbonylContact C-O 3.5Å; T294-G297 VanDerWaalsContact C-O 3.29Å; T294-G297 VanDerWaalsContact CA-O 3.28Å; T294-G297 WeakPolarHBondContact CA-O 3.33Å; T294-G297 WeakPolarHBondContact CB-O 3.48Å; T294-G297 PolarHBondContact N-O 2.88Å; T294-G297 PolarHBondContact O-N 3.48Å; T294-G297 VanDerWaalsContact O-N 3.11Å; T294-G297 PolarHBondContact OG1-O 3.02Å; T294-R299 HydrophobicContact CG2-CB 4.49Å; T294-R299 HydrophobicContact CG2-CG 3.99Å; T294-L437 HydrophobicContact CG2-CD1 3.51Å
295G87.5Confident91.7Very high20 Ų2056.1 Ų56.121%0.20632%0.319CS..THydrogen-bonded Turntrans-62.9111.4177.800000111.6Y263 S347Y263-G295 VanDerWaalsContact OH-C 3.22Å; Y263-G295 VanDerWaalsContact OH-CA 3.31Å; Y263-G295 WeakPolarHBondContact OH-CA 3.44Å; G295-S347 PolarHBondContact N-OG 3.45Å
296G86.7Confident91.7Very high26 Ų2657.3 Ų57.327%0.26833%0.326SS..THydrogen-bonded Turntrans87.611.3-179.700000115.2Y263 D274 T294Y263-G296 PolarHBondContact OH-N 3.05Å; D274-G296 PolarHBondContact OD1-N 3.46Å; T294-G296 PolarHBondContact O-N 3.03Å
297G90.6Very high91.7Very high14 Ų1464 Ų6414%0.14434%0.338CS..EExtended strand (participates in β ladder)trans170-163.1177.600000114E277 N293 T294E277-G297 WeakPolarHBondContact OE1-CA 3.34Å; N293-G297 PolarHBondContact OD1-O 3.28Å; T294-G297 CarbonylContact C-O 3.5Å; T294-G297 VanDerWaalsContact C-O 3.29Å; T294-G297 VanDerWaalsContact CA-O 3.28Å; T294-G297 WeakPolarHBondContact CA-O 3.33Å; T294-G297 WeakPolarHBondContact CB-O 3.48Å; T294-G297 PolarHBondContact N-O 2.88Å; T294-G297 PolarHBondContact O-N 3.48Å; T294-G297 VanDerWaalsContact O-N 3.11Å; T294-G297 PolarHBondContact OG1-O 3.02Å
298F92.5Very high91.9Very high71 Ų7156.3 Ų56.331%0.31132%0.323SS..EExtended strand (participates in β ladder)trans-133.8162.6179.767.5-82.7000111.8E277 H283 I292E277-F298 HydrophobicContact CB-CB 4.32Å; E277-F298 HydrophobicContact CB-CD1 3.57Å; E277-F298 HydrophobicContact CB-CE1 4.26Å; E277-F298 HydrophobicContact CB-CG 4.14Å; E277-F298 HydrophobicContact CG-CD1 3.81Å; E277-F298 HydrophobicContact CG-CE1 4.41Å; E277-F298 PolarHBondContact OE2-N 2.84Å; H283-F298 VanDerWaalsContact CA-CZ 3.49Å; H283-F298 HydrophobicContact CB-CD1 4.26Å; H283-F298 HydrophobicContact CB-CD2 3.57Å; H283-F298 HydrophobicContact CB-CE1 4.35Å; H283-F298 HydrophobicContact CB-CE2 3.72Å; H283-F298 HydrophobicContact CB-CG 3.87Å; H283-F298 HydrophobicContact CB-CZ 4.1Å; H283-F298 WeakPolarHBondContact O-CE2 3.23Å; H283-F298 WeakPolarHBondContact O-CZ 3.4Å; I292-F298 CarbonylContact O-C 3.49Å; I292-F298 WeakPolarHBondContact O-CA 3.38Å
299R91.8Very high92Very high80 Ų8060.4 Ų60.430%0.30232%0.324SS..EExtended strand (participates in β ladder)trans-132.1128.4173.7-61.1-158-58.4-162.642.2111.9I292 T294 E411 L437I292-R299 PolarHBondContact N-O 2.71Å; I292-R299 PolarHBondContact O-N 2.98Å; T294-R299 HydrophobicContact CG2-CB 4.49Å; T294-R299 HydrophobicContact CG2-CG 3.99Å; R299-E411 IonicContact CZ-OE2 2.74Å; R299-E411 IonicContact NH1-OE2 3.65Å; R299-E411 IonicContact NH2-OE1 2.73Å; R299-E411 PolarHBondContact NH2-OE1 3.26Å; R299-E411 IonicContact NH2-OE2 3.94Å; R299-E411 PolarHBondContact NH2-OE2 2.92Å; R299-L437 VanDerWaalsContact CZ-CD1 3.49Å; R299-L437 VanDerWaalsContact CZ-CD2 3.46Å
300C93.9Very high91.8Very high55 Ų5561.7 Ų61.737%0.37235%0.347SS..EExtended strand (participates in β ladder)trans-85117.3172.4-47.80000108.9C285 S290C285-C300 WeakPolarHBondContact CA-SG 3.36Å; C285-C300 HydrophobicContact CB-CB 3.84Å; C285-C300 WeakPolarHBondContact CB-SG 3.03Å; C285-C300 WeakPolarHBondContact SG-CB 3.38Å; C285-C300 CovalentContact SG-SG 2.03Å; C285-C300 PolarHBondContact SG-SG 2.97Å; S290-C300 WeakPolarHBondContact O-CA 3.25Å
301V94Very high91.6Very high19 Ų1965 Ų6512%0.11536%0.362CS..EExtended strand (participates in β ladder)trans-118.1145.6179.9-57.30000110.1S290 I292 F320 Y345S290-V301 PolarHBondContact N-O 2.95Å; S290-V301 PolarHBondContact O-N 2.85Å; I292-V301 HydrophobicContact CD1-CG2 4.2Å; I292-V301 HydrophobicContact CG1-CG1 4.2Å; I292-V301 HydrophobicContact CG1-CG2 3.54Å; V301-F320 HydrophobicContact CG2-CE1 3.72Å; V301-F320 HydrophobicContact CG2-CZ 4.3Å; V301-Y345 HydrophobicContact CB-CE1 4.32Å; V301-Y345 HydrophobicContact CB-CE2 4.38Å; V301-Y345 HydrophobicContact CG1-CD1 4.37Å; V301-Y345 HydrophobicContact CG1-CE1 3.79Å; V301-Y345 HydrophobicContact CG2-CD2 4.38Å; V301-Y345 HydrophobicContact CG2-CE1 4.46Å; V301-Y345 HydrophobicContact CG2-CE2 3.76Å
302N94.1Very high91.5Very high75 Ų7565 Ų6540%0.40136%0.36SS..  trans-135.683.5167177.534.1000107.6T289 E304 K316T289-N302 HydrophobicContact CG2-CB 4.15Å; N302-E304 PolarHBondContact O-N 3.35Å; N302-K316 PolarHBondContact OD1-NZ 2.65Å
303P93.9Very high91.5Very high10 Ų1065.8 Ų65.87%0.06537%0.367CS..PPolyproline II helixtrans-65.5131.5179.626.1-31.7000109.6K316 P319 F320 F343P303-K316 PolarHBondContact O-NZ 2.85Å; P303-P319 VanDerWaalsContact CG-O 3.31Å; P303-P319 WeakPolarHBondContact CG-O 3.26Å; P303-F320 HydrophobicContact CG-CD1 3.83Å; P303-F320 HydrophobicContact CG-CE1 4.31Å; P303-F343 HydrophobicContact CB-CB 3.98Å; P303-F343 HydrophobicContact CB-CD1 3.65Å; P303-F343 HydrophobicContact CB-CD2 3.66Å; P303-F343 HydrophobicContact CB-CE1 3.96Å; P303-F343 HydrophobicContact CB-CE2 3.98Å; P303-F343 HydrophobicContact CB-CG 3.48Å; P303-F343 VanDerWaalsContact CB-CG 3.48Å; P303-F343 HydrophobicContact CB-CZ 4.12Å; P303-F343 HydrophobicContact CG-CB 4.03Å; P303-F343 HydrophobicContact CG-CD2 4.02Å; P303-F343 HydrophobicContact CG-CG 3.98Å
304E93Very high91.6Very high144 Ų14465.4 Ų65.467%0.67336%0.363SS*.PPolyproline II helixtrans-100.2144.5179.3-64.3-171.2170.200110.7N302 F343N302-E304 PolarHBondContact O-N 3.35Å; E304-F343 WeakPolarHBondContact O-CZ 3.31Å
305C94.1Very high91.9Very high29 Ų2967.8 Ų67.820%0.19638%0.377CS..PPolyproline II helixtrans-69.2151172.8-570000110.4R307 C322C305-R307 PolarHBondContact O-N 3.43Å; C305-C322 WeakPolarHBondContact CA-SG 3.17Å; C305-C322 HydrophobicContact CB-CB 3.88Å; C305-C322 WeakPolarHBondContact CB-SG 3.37Å; C305-C322 WeakPolarHBondContact SG-CB 3.23Å; C305-C322 CovalentContact SG-SG 2.03Å; C305-C322 PolarHBondContact SG-SG 2.86Å
306P93.1Very high92.2Very high51 Ų5170.8 Ų70.833%0.33139%0.385SS..PPolyproline II helixtrans-55.7141.1175.9-22.832.3000111.7Y314 M341P306-Y314 HydrophobicContact CB-CD2 4.11Å; P306-Y314 HydrophobicContact CB-CE2 4.3Å; P306-Y314 HydrophobicContact CG-CD2 4.22Å; P306-Y314 HydrophobicContact CG-CE2 4.31Å; P306-M341 HydrophobicContact CG-CE 3.66Å; P306-M341 HydrophobicContact CG-SD 3.47Å; P306-M341 WeakPolarHBondContact CG-SD 3.47Å
307R92.3Very high92.6Very high231 Ų23173 Ų7387%0.87239%0.393SS*.PPolyproline II helixtrans-58.8144.9176.4-65.3-176-179.1176.40.5110.3C305 H309C305-R307 PolarHBondContact O-N 3.43Å; R307-H309 PolarHBondContact O-N 2.04Å
308S89.4Confident92.8Very high95 Ų9574.3 Ų74.366%0.66440%0.4SS*.PPolyproline II helixtrans-59.9131.9176.154.50000110.5I312S308-I312 CarbonylContact C-O 3.54Å; S308-I312 VanDerWaalsContact CA-O 3.27Å; S308-I312 WeakPolarHBondContact CA-O 3.48Å
309H89.4Confident92.8Very high152 Ų15274.1 Ų74.170%0.70441%0.406SS*.BIsolated β-bridgetrans-137.1114.8179-172.574.4000110.1R307 N311 I312R307-H309 PolarHBondContact O-N 2.04Å; H309-N311 PolarHBondContact O-N 2.74Å; H309-I312 PolarHBondContact N-O 3Å; H309-I312 WeakPolarHBondContact O-CB 3.22Å; H309-I312 PolarHBondContact O-N 3.41Å
310G86.9Confident93Very high73 Ų7373.1 Ų73.175%0.75340%0.404SS*.THydrogen-bonded Turntrans56.8-126.2-173.300000111.7I312G310-I312 VanDerWaalsContact C-N 3.25Å; G310-I312 PolarHBondContact O-N 2.88Å
311N89.1Confident93.1Very high98 Ų9874.1 Ų74.152%0.52440%0.403SS..THydrogen-bonded Turntrans-82.74.9178.8-65-18.1000113.9H309 P328H309-N311 PolarHBondContact O-N 2.74Å; N311-P328 HydrophobicContact CB-CG 4.17Å
312I92Very high93.2Very high33 Ų3373.2 Ų73.217%0.16940%0.398CS..BIsolated β-bridgetrans-101.4120.6-177.5-54169.8000108.6S308 H309 G310 Y314 R324 C334 A337S308-I312 CarbonylContact C-O 3.54Å; S308-I312 VanDerWaalsContact CA-O 3.27Å; S308-I312 WeakPolarHBondContact CA-O 3.48Å; H309-I312 PolarHBondContact N-O 3Å; H309-I312 WeakPolarHBondContact O-CB 3.22Å; H309-I312 PolarHBondContact O-N 3.41Å; G310-I312 VanDerWaalsContact C-N 3.25Å; G310-I312 PolarHBondContact O-N 2.88Å; I312-Y314 HydrophobicContact CG2-CD2 4.22Å; I312-Y314 HydrophobicContact CG2-CE2 3.46Å; I312-Y314 VanDerWaalsContact CG2-CE2 3.46Å; I312-R324 HydrophobicContact CG2-CG 4.36Å; I312-C334 HydrophobicContact CG1-CB 3.92Å; I312-A337 HydrophobicContact CD1-CB 3.96Å; I312-A337 HydrophobicContact CG1-CB 4.45Å; I312-A337 HydrophobicContact CG2-CB 4.22Å
313S94Very high93.3Very high42 Ų4273.4 Ų73.429%0.29440%0.396SS..  trans-137149.7172.556.50000110.3R324 N325S313-R324 WeakPolarHBondContact O-CA 3.34Å; S313-R324 WeakPolarHBondContact O-CG 3.5Å; S313-N325 PolarHBondContact O-N 3.36Å; S313-N325 WeakPolarHBondContact OG-CB 3.31Å; S313-N325 PolarHBondContact OG-ND2 3.28Å
314Y95.4Very high93.3Very high37 Ų3774.7 Ų74.715%0.14540%0.4CS..EExtended strand (participates in β ladder)trans-122.7145.3-178.5-70.4-86.3000110.1P306 I312 C322 E323 R324 P338 M341P306-Y314 HydrophobicContact CB-CD2 4.11Å; P306-Y314 HydrophobicContact CB-CE2 4.3Å; P306-Y314 HydrophobicContact CG-CD2 4.22Å; P306-Y314 HydrophobicContact CG-CE2 4.31Å; I312-Y314 HydrophobicContact CG2-CD2 4.22Å; I312-Y314 HydrophobicContact CG2-CE2 3.46Å; I312-Y314 VanDerWaalsContact CG2-CE2 3.46Å; Y314-C322 HydrophobicContact CD1-CB 4.42Å; Y314-E323 CarbonylContact C-O 3.57Å; Y314-E323 WeakPolarHBondContact CA-O 3.2Å; Y314-R324 HydrophobicContact CD1-CB 3.93Å; Y314-R324 HydrophobicContact CD1-CG 4.39Å; Y314-R324 HydrophobicContact CE1-CB 3.58Å; Y314-R324 HydrophobicContact CE1-CG 3.96Å; Y314-P338 VanDerWaalsContact CE1-O 3.32Å; Y314-P338 WeakPolarHBondContact CE1-O 3.42Å; Y314-P338 WeakPolarHBondContact OH-CD 3.05Å; Y314-P338 PolarHBondContact OH-O 3.46Å; Y314-M341 HydrophobicContact CD1-SD 4.48Å; Y314-M341 HydrophobicContact CE1-CG 4.34Å; Y314-M341 HydrophobicContact CE1-SD 3.99Å
315V95.3Very high93.3Very high68 Ų6870.7 Ų70.741%0.41238%0.383SS..EExtended strand (participates in β ladder)trans-118.2141.2171.564.80000109.3T317 C322 E323V315-T317 HydrophobicContact CG1-CG2 4.29Å; V315-T317 PolarHBondContact O-N 3.18Å; V315-C322 CarbonylContact O-C 3.58Å; V315-C322 VanDerWaalsContact O-CA 3.31Å; V315-C322 WeakPolarHBondContact O-CA 3.47Å; V315-E323 PolarHBondContact N-O 3.13Å; V315-E323 PolarHBondContact O-N 2.74Å
316K94.7Very high93.2Very high84 Ų8475.5 Ų75.537%0.36541%0.414SS..EExtended strand (participates in β ladder)trans-79.1112.4176.2-168.9163.5179.4161.80108.5N302 P303 S318 P319N302-K316 PolarHBondContact OD1-NZ 2.65Å; P303-K316 PolarHBondContact O-NZ 2.85Å; K316-S318 VanDerWaalsContact CE-O 3.26Å; K316-S318 WeakPolarHBondContact CE-O 3.45Å; K316-S318 WeakPolarHBondContact CG-O 3.08Å; K316-P319 VanDerWaalsContact CE-CA 3.49Å; K316-P319 WeakPolarHBondContact CE-O 3.44Å; K316-P319 PolarHBondContact NZ-O 2.88Å; K316-P319 VanDerWaalsContact NZ-O 3.13Å
317T94.4Very high93.1Very high71 Ų7174.1 Ų74.144%0.43641%0.405SS..EExtended strand (participates in β ladder)trans-94.5-24.6179.853.80000112.1V315 Q321 E323V315-T317 HydrophobicContact CG1-CG2 4.29Å; V315-T317 PolarHBondContact O-N 3.18Å; T317-Q321 PolarHBondContact N-O 3.21Å; T317-Q321 PolarHBondContact OG1-O 3.48Å; T317-E323 HydrophobicContact CG2-CB 3.67Å
318S94.6Very high92.9Very high43 Ų4366 Ų6630%0.30138%0.383SS..EExtended strand (participates in β ladder)trans-147170.5171.686.40000110.2K316 F320 Q321K316-S318 VanDerWaalsContact CE-O 3.26Å; K316-S318 WeakPolarHBondContact CE-O 3.45Å; K316-S318 WeakPolarHBondContact CG-O 3.08Å; S318-F320 PolarHBondContact O-N 2.88Å; S318-F320 PolarHBondContact OG-N 2.75Å; S318-Q321 PolarHBondContact N-O 3.1Å; S318-Q321 PolarHBondContact O-N 2.74Å; S318-Q321 WeakPolarHBondContact OG-CB 3.29Å; S318-Q321 PolarHBondContact OG-N 2.88Å; S318-Q321 VanDerWaalsContact OG-N 3.1Å
319P93.5Very high92.5Very high66 Ų6669.5 Ų69.543%0.42939%0.39SS..THydrogen-bonded Turntrans-51.8-29.1176.4-28.436.5000114.1P303 K316P303-P319 VanDerWaalsContact CG-O 3.31Å; P303-P319 WeakPolarHBondContact CG-O 3.26Å; K316-P319 VanDerWaalsContact CE-CA 3.49Å; K316-P319 WeakPolarHBondContact CE-O 3.44Å; K316-P319 PolarHBondContact NZ-O 2.88Å; K316-P319 VanDerWaalsContact NZ-O 3.13Å
320F95.9Very high92.4Very high59 Ų5969.9 Ų69.926%0.25940%0.397SS..THydrogen-bonded Turntrans-121.613.1-175.3-59.8-72.1000113.7I292 V301 P303 S318 S342 F343 Y345I292-F320 HydrophobicContact CD1-CE1 3.98Å; I292-F320 HydrophobicContact CD1-CZ 3.72Å; V301-F320 HydrophobicContact CG2-CE1 3.72Å; V301-F320 HydrophobicContact CG2-CZ 4.3Å; P303-F320 HydrophobicContact CG-CD1 3.83Å; P303-F320 HydrophobicContact CG-CE1 4.31Å; S318-F320 PolarHBondContact O-N 2.88Å; S318-F320 PolarHBondContact OG-N 2.75Å; F320-S342 CarbonylContact O-C 3.58Å; F320-S342 VanDerWaalsContact O-CA 3.28Å; F320-S342 WeakPolarHBondContact O-CA 3.48Å; F320-F343 HydrophobicContact CD1-CB 4.41Å; F320-F343 WeakPolarHBondContact O-CD2 3.37Å; F320-F343 PolarHBondContact O-N 3.31Å; F320-Y345 HydrophobicContact CD1-CD2 4.44Å; F320-Y345 AromaticContact CD1-CE2 3.95Å; F320-Y345 HydrophobicContact CD1-CE2 3.95Å; F320-Y345 HydrophobicContact CE1-CD2 4.13Å; F320-Y345 AromaticContact CE1-CE2 3.76Å; F320-Y345 HydrophobicContact CE1-CE2 3.76Å
321Q95.8Very high92.5Very high76 Ų7666.9 Ų66.936%0.35537%0.365SS..EExtended strand (participates in β ladder)trans-138.5136.1-176.9-167.1174.3-7.400112.3T317 S318 M341T317-Q321 PolarHBondContact N-O 3.21Å; T317-Q321 PolarHBondContact OG1-O 3.48Å; S318-Q321 PolarHBondContact N-O 3.1Å; S318-Q321 PolarHBondContact O-N 2.74Å; S318-Q321 WeakPolarHBondContact OG-CB 3.29Å; S318-Q321 PolarHBondContact OG-N 2.88Å; S318-Q321 VanDerWaalsContact OG-N 3.1Å; Q321-M341 CarbonylContact C-O 3.52Å; Q321-M341 WeakPolarHBondContact CA-O 3.32Å
322C96.1Very high92.4Very high1 Ų171.6 Ų71.61%0.00738%0.376CS..EExtended strand (participates in β ladder)trans-119.3141.8172.4-56.50000109.8C305 Y314 V315 T340 M341C305-C322 WeakPolarHBondContact CA-SG 3.17Å; C305-C322 HydrophobicContact CB-CB 3.88Å; C305-C322 WeakPolarHBondContact CB-SG 3.37Å; C305-C322 WeakPolarHBondContact SG-CB 3.23Å; C305-C322 CovalentContact SG-SG 2.03Å; C305-C322 PolarHBondContact SG-SG 2.86Å; Y314-C322 HydrophobicContact CD1-CB 4.42Å; V315-C322 CarbonylContact O-C 3.58Å; V315-C322 VanDerWaalsContact O-CA 3.31Å; V315-C322 WeakPolarHBondContact O-CA 3.47Å; C322-T340 CarbonylContact O-C 3.58Å; C322-T340 WeakPolarHBondContact O-CA 3.41Å; C322-M341 HydrophobicContact CB-CB 4.28Å; C322-M341 PolarHBondContact N-O 3.15Å; C322-M341 PolarHBondContact O-N 3.08Å
323E95.4Very high92.3Very high78 Ų7873.9 Ų73.936%0.36439%0.394SS..EExtended strand (participates in β ladder)trans-120.5140.1172.4-171.3164.8-175.400109.8Y314 V315 T317 T340Y314-E323 CarbonylContact C-O 3.57Å; Y314-E323 WeakPolarHBondContact CA-O 3.2Å; V315-E323 PolarHBondContact N-O 3.13Å; V315-E323 PolarHBondContact O-N 2.74Å; T317-E323 HydrophobicContact CG2-CB 3.67Å; E323-T340 HydrophobicContact CG-CG2 4.49Å
324R94.5Very high92.2Very high37 Ų3771.9 Ų71.914%0.1438%0.381CS..EExtended strand (participates in β ladder)trans-76.4135.8177.3-166.4-172.362.7-131.514.2109.6I312 S313 Y314 C327 C334 A337 P338 K339I312-R324 HydrophobicContact CG2-CG 4.36Å; S313-R324 WeakPolarHBondContact O-CA 3.34Å; S313-R324 WeakPolarHBondContact O-CG 3.5Å; Y314-R324 HydrophobicContact CD1-CB 3.93Å; Y314-R324 HydrophobicContact CD1-CG 4.39Å; Y314-R324 HydrophobicContact CE1-CB 3.58Å; Y314-R324 HydrophobicContact CE1-CG 3.96Å; R324-C327 PolarHBondContact NE-SG 3.47Å; R324-C334 VanDerWaalsContact CZ-O 3.26Å; R324-C334 PolarHBondContact NE-O 3.26Å; R324-C334 PolarHBondContact NH1-O 3.45Å; R324-A337 PolarHBondContact NH1-O 2.83Å; R324-P338 WeakPolarHBondContact CB-O 3.48Å; R324-P338 PolarHBondContact NH1-O 3.14Å; R324-P338 VanDerWaalsContact NH1-O 3.09Å; R324-K339 PolarHBondContact N-O 3.41Å; R324-K339 VanDerWaalsContact NH1-CA 3.32Å
325N92.9Very high91.9Very high61 Ų6173.7 Ų73.733%0.32639%0.39SS..PPolyproline II helixtrans-64.1157.4171.6-70.5-35.9000111.6S313 C327S313-N325 PolarHBondContact O-N 3.36Å; S313-N325 WeakPolarHBondContact OG-CB 3.31Å; S313-N325 PolarHBondContact OG-ND2 3.28Å; N325-C327 PolarHBondContact O-N 3.34Å
326P92.5Very high91.7Very high129 Ų12974.5 Ų74.584%0.83839%0.392SS*.PPolyproline II helixtrans-51.7131177.1-27.735.6000112.4
327C90.1Very high91.5Very high22 Ų2271 Ų7115%0.14938%0.379CS..PPolyproline II helixtrans-83.9145179.7-66.50000111.4R324 N325 C334R324-C327 PolarHBondContact NE-SG 3.47Å; N325-C327 PolarHBondContact O-N 3.34Å; C327-C334 VanDerWaalsContact CA-SG 3.56Å; C327-C334 HydrophobicContact CB-CB 3.7Å; C327-C334 WeakPolarHBondContact CB-SG 3.38Å; C327-C334 WeakPolarHBondContact SG-CB 3.41Å; C327-C334 PolarHBondContact SG-O 3.49Å; C327-C334 CovalentContact SG-SG 2.04Å; C327-C334 PolarHBondContact SG-SG 2.03Å
328P89.4Confident91.5Very high62 Ų6268.9 Ų68.940%0.40337%0.366SS..PPolyproline II helixtrans-60140.6163.7-19.231.6000110.8N311 D330 S331 H335N311-P328 HydrophobicContact CB-CG 4.17Å; P328-D330 PolarHBondContact O-N 2.87Å; P328-D330 VanDerWaalsContact O-N 3.11Å; P328-S331 WeakPolarHBondContact O-CB 3.45Å; P328-S331 PolarHBondContact O-N 3.36Å; P328-H335 PolarHBondContact O-NE2 2.83Å
329M79.9Confident91.4Very high168 Ų16871.2 Ų71.283%0.82837%0.37SS*.THydrogen-bonded Turntrans-53.7-34.9-175-68.5-65-68.500114
330D87.4Confident91.5Very high159 Ų15969.2 Ų69.285%0.8536%0.357SS*.THydrogen-bonded Turntrans-86.5-8.3-175.7-54.9-41.6000113.1P328 R332P328-D330 PolarHBondContact O-N 2.87Å; P328-D330 VanDerWaalsContact O-N 3.11Å; D330-R332 PolarHBondContact O-N 3.42Å; D330-R332 VanDerWaalsContact O-N 3.08Å
331S88.6Confident91.4Very high11 Ų1167 Ų678%0.07735%0.348CS..  trans-88.580.3-172.2-168.80000112P328 S333 C334 H335P328-S331 WeakPolarHBondContact O-CB 3.45Å; P328-S331 PolarHBondContact O-N 3.36Å; S331-S333 PolarHBondContact O-N 3.16Å; S331-S333 PolarHBondContact OG-OG 2.97Å; S331-C334 WeakPolarHBondContact O-CB 3.38Å; S331-C334 PolarHBondContact O-N 3.18Å; S331-C334 WeakPolarHBondContact OG-CB 3.35Å; S331-H335 PolarHBondContact O-CD2 3.07Å; S331-H335 PolarHBondContact O-N 3.4Å; S331-H335 VanDerWaalsContact O-N 3.08Å
332R88.2Confident91.4Very high197 Ų19764.7 Ų64.774%0.74334%0.34SS*.Hα-helixtrans-52.9-40176.6-174.8176.6178-176.8-1112.9D330 C334 H335 L336D330-R332 PolarHBondContact O-N 3.42Å; D330-R332 VanDerWaalsContact O-N 3.08Å; R332-C334 VanDerWaalsContact C-N 3.33Å; R332-C334 PolarHBondContact O-N 3.42Å; R332-H335 PolarHBondContact O-N 3.14Å; R332-L336 HydrophobicContact CG-CD1 4.03Å; R332-L336 HydrophobicContact CG-CG 4.43Å; R332-L336 WeakPolarHBondContact O-CG 3.27Å; R332-L336 PolarHBondContact O-N 3.45Å
333S90.5Very high91.4Very high80 Ų8065.2 Ų65.256%0.55934%0.342SS*.Hα-helixtrans-61.1-39.3177.551.20000112.6S331 A337S331-S333 PolarHBondContact O-N 3.16Å; S331-S333 PolarHBondContact OG-OG 2.97Å; S333-A337 PolarHBondContact O-N 3.29Å; S333-A337 VanDerWaalsContact O-N 3.16Å
334C90.6Very high91.4Very high1 Ų164.4 Ų64.41%0.00734%0.338CS..Hα-helixtrans-70.1-42.2176.3-173.50000112.1I312 R324 C327 S331 R332 L336 A337I312-C334 HydrophobicContact CG1-CB 3.92Å; R324-C334 VanDerWaalsContact CZ-O 3.26Å; R324-C334 PolarHBondContact NE-O 3.26Å; R324-C334 PolarHBondContact NH1-O 3.45Å; C327-C334 VanDerWaalsContact CA-SG 3.56Å; C327-C334 HydrophobicContact CB-CB 3.7Å; C327-C334 WeakPolarHBondContact CB-SG 3.38Å; C327-C334 WeakPolarHBondContact SG-CB 3.41Å; C327-C334 PolarHBondContact SG-O 3.49Å; C327-C334 CovalentContact SG-SG 2.04Å; C327-C334 PolarHBondContact SG-SG 2.03Å; S331-C334 WeakPolarHBondContact O-CB 3.38Å; S331-C334 PolarHBondContact O-N 3.18Å; S331-C334 WeakPolarHBondContact OG-CB 3.35Å; R332-C334 VanDerWaalsContact C-N 3.33Å; R332-C334 PolarHBondContact O-N 3.42Å; C334-L336 VanDerWaalsContact C-N 3.27Å; C334-L336 PolarHBondContact O-N 3.07Å; C334-A337 VanDerWaalsContact O-CB 3.29Å; C334-A337 WeakPolarHBondContact O-CB 3.16Å; C334-A337 PolarHBondContact O-N 3.17Å; C334-A337 VanDerWaalsContact O-N 3.13Å
335H89.1Confident91.4Very high75 Ų7564.6 Ų64.635%0.34734%0.339SS..Hα-helixtrans-61.7-36.5177-75.4-75.2000112.3P328 S331 R332 F426P328-H335 PolarHBondContact O-NE2 2.83Å; S331-H335 PolarHBondContact O-CD2 3.07Å; S331-H335 PolarHBondContact O-N 3.4Å; S331-H335 VanDerWaalsContact O-N 3.08Å; R332-H335 PolarHBondContact O-N 3.14Å; H335-F426 WeakPolarHBondContact O-CE1 3.24Å
336L90.6Very high91.4Very high85 Ų8563.7 Ų63.745%0.44533%0.334SS..Hα-helixtrans-77.7-16.4176.3-67.4174.8000114.2R332 C334 F426R332-L336 HydrophobicContact CG-CD1 4.03Å; R332-L336 HydrophobicContact CG-CG 4.43Å; R332-L336 WeakPolarHBondContact O-CG 3.27Å; R332-L336 PolarHBondContact O-N 3.45Å; C334-L336 VanDerWaalsContact C-N 3.27Å; C334-L336 PolarHBondContact O-N 3.07Å; L336-F426 HydrophobicContact CD2-CD1 4.16Å; L336-F426 HydrophobicContact CD2-CE1 4.19Å
337A91.9Very high91.3Very high11 Ų1160 Ų609%0.09131%0.311CS..SBendtrans-63.6159.5176.200000110.8I312 R324 S333 C334 K339I312-A337 HydrophobicContact CD1-CB 3.96Å; I312-A337 HydrophobicContact CG1-CB 4.45Å; I312-A337 HydrophobicContact CG2-CB 4.22Å; R324-A337 PolarHBondContact NH1-O 2.83Å; S333-A337 PolarHBondContact O-N 3.29Å; S333-A337 VanDerWaalsContact O-N 3.16Å; C334-A337 VanDerWaalsContact O-CB 3.29Å; C334-A337 WeakPolarHBondContact O-CB 3.16Å; C334-A337 PolarHBondContact O-N 3.17Å; C334-A337 VanDerWaalsContact O-N 3.13Å; A337-K339 PolarHBondContact O-N 2.95Å
338P94Very high91.4Very high26 Ų2660 Ų6017%0.16931%0.31CS..  trans-56.9130.6171.9-25.534.8000110.9Y314 R324 M341 K429 V431Y314-P338 VanDerWaalsContact CE1-O 3.32Å; Y314-P338 WeakPolarHBondContact CE1-O 3.42Å; Y314-P338 WeakPolarHBondContact OH-CD 3.05Å; Y314-P338 PolarHBondContact OH-O 3.46Å; R324-P338 WeakPolarHBondContact CB-O 3.48Å; R324-P338 PolarHBondContact NH1-O 3.14Å; R324-P338 VanDerWaalsContact NH1-O 3.09Å; P338-M341 HydrophobicContact CB-CG 3.81Å; P338-M341 HydrophobicContact CB-SD 4.28Å; P338-M341 HydrophobicContact CG-SD 4.48Å; P338-K429 CarbonylContact C-O 3.59Å; P338-K429 WeakPolarHBondContact CA-O 3.24Å; P338-V431 HydrophobicContact CB-CB 4.37Å; P338-V431 HydrophobicContact CB-CG2 3.87Å; P338-V431 HydrophobicContact CG-CB 4.43Å; P338-V431 HydrophobicContact CG-CG2 3.59Å
339K93.4Very high91.4Very high91 Ų9158.9 Ų58.940%0.39630%0.303SS..SBendtrans-75.5-44.1172.4-176.7179.8178.2-177.70110.2R324 A337 A428 K429R324-K339 PolarHBondContact N-O 3.41Å; R324-K339 VanDerWaalsContact NH1-CA 3.32Å; A337-K339 PolarHBondContact O-N 2.95Å; K339-A428 HydrophobicContact CB-CB 4.37Å; K339-A428 HydrophobicContact CD-CB 4.06Å; K339-K429 PolarHBondContact N-O 3.24Å
340T93.9Very high91.5Very high24 Ų2452.2 Ų52.215%0.14727%0.273CS..EExtended strand (participates in β ladder)trans-127.3146.8173.667.90000110.4C322 E323 H430 V431C322-T340 CarbonylContact O-C 3.58Å; C322-T340 WeakPolarHBondContact O-CA 3.41Å; E323-T340 HydrophobicContact CG-CG2 4.49Å; T340-H430 PolarHBondContact OG1-ND1 2.83Å; T340-V431 PolarHBondContact O-N 2.96Å
341M94.9Very high91.3Very high14 Ų1448.4 Ų48.47%0.06926%0.255CS..EExtended strand (participates in β ladder)trans-128.3134.3171.9-59.8-179.263.200108.7P306 Y314 Q321 C322 P338 V431P306-M341 HydrophobicContact CG-CE 3.66Å; P306-M341 HydrophobicContact CG-SD 3.47Å; P306-M341 WeakPolarHBondContact CG-SD 3.47Å; Y314-M341 HydrophobicContact CD1-SD 4.48Å; Y314-M341 HydrophobicContact CE1-CG 4.34Å; Y314-M341 HydrophobicContact CE1-SD 3.99Å; Q321-M341 CarbonylContact C-O 3.52Å; Q321-M341 WeakPolarHBondContact CA-O 3.32Å; C322-M341 HydrophobicContact CB-CB 4.28Å; C322-M341 PolarHBondContact N-O 3.15Å; C322-M341 PolarHBondContact O-N 3.08Å; P338-M341 HydrophobicContact CB-CG 3.81Å; P338-M341 HydrophobicContact CB-SD 4.28Å; P338-M341 HydrophobicContact CG-SD 4.48Å; M341-V431 CarbonylContact C-O 3.59Å; M341-V431 VanDerWaalsContact CA-O 3.25Å; M341-V431 WeakPolarHBondContact CA-O 3.31Å; M341-V431 HydrophobicContact CG-CB 4.35Å
342S95.6Very high91.1Very high27 Ų2750 Ų5019%0.18926%0.262CS..EExtended strand (participates in β ladder)trans-128.4148.9177.7570000110.9F320 H344 V431 A432 R433F320-S342 CarbonylContact O-C 3.58Å; F320-S342 VanDerWaalsContact O-CA 3.28Å; F320-S342 WeakPolarHBondContact O-CA 3.48Å; S342-H344 WeakPolarHBondContact CB-NE2 3Å; S342-H344 PolarHBondContact OG-NE2 2.99Å; S342-V431 PolarHBondContact N-O 2.86Å; S342-A432 CarbonylContact O-C 3.59Å; S342-A432 WeakPolarHBondContact O-CA 3.39Å; S342-R433 PolarHBondContact O-N 3.29Å
343F95.6Very high91Very high12 Ų1247.4 Ų47.45%0.05326%0.259CS..EExtended strand (participates in β ladder)trans-116.5125-179-58.6-93.4000109.1P303 E304 F320 Y345 R433P303-F343 HydrophobicContact CB-CB 3.98Å; P303-F343 HydrophobicContact CB-CD1 3.65Å; P303-F343 HydrophobicContact CB-CD2 3.66Å; P303-F343 HydrophobicContact CB-CE1 3.96Å; P303-F343 HydrophobicContact CB-CE2 3.98Å; P303-F343 HydrophobicContact CB-CG 3.48Å; P303-F343 VanDerWaalsContact CB-CG 3.48Å; P303-F343 HydrophobicContact CB-CZ 4.12Å; P303-F343 HydrophobicContact CG-CB 4.03Å; P303-F343 HydrophobicContact CG-CD2 4.02Å; P303-F343 HydrophobicContact CG-CG 3.98Å; E304-F343 WeakPolarHBondContact O-CZ 3.31Å; F320-F343 HydrophobicContact CD1-CB 4.41Å; F320-F343 WeakPolarHBondContact O-CD2 3.37Å; F320-F343 PolarHBondContact O-N 3.31Å; F343-Y345 HydrophobicContact CB-CE2 4.24Å; F343-R433 WeakPolarHBondContact CA-O 3.01Å; F343-R433 HydrophobicContact CD1-CB 4.03Å; F343-R433 HydrophobicContact CD1-CG 4.29Å; F343-R433 HydrophobicContact CE1-CB 4.42Å
344H95.3Very high90.7Very high60 Ų6045.4 Ų45.428%0.27824%0.243SC..EExtended strand (participates in β ladder)trans-126142-176.8-59.6-88000109.1S342 F359 R433 V434 H435S342-H344 WeakPolarHBondContact CB-NE2 3Å; S342-H344 PolarHBondContact OG-NE2 2.99Å; H344-F359 HydrophobicContact CB-CE2 4.21Å; H344-F359 AromaticContact CD2-CE2 3.79Å; H344-F359 AromaticContact CD2-CZ 3.63Å; H344-F359 AromaticContact CE1-CE2 3.75Å; H344-F359 AromaticContact CE1-CZ 3.87Å; H344-F359 AromaticContact CG-CE2 3.58Å; H344-F359 AromaticContact CG-CZ 3.93Å; H344-F359 AromaticContact ND1-CE2 3.57Å; H344-F359 AromaticContact NE2-CE2 3.88Å; H344-F359 AromaticContact NE2-CZ 3.58Å; H344-R433 PolarHBondContact N-O 2.83Å; H344-V434 HydrophobicContact CB-CG2 4.4Å; H344-H435 PolarHBondContact O-N 3.32Å
345Y94.6Very high90.5Very high41 Ų4148.5 Ų48.516%0.16126%0.263CS..EExtended strand (participates in β ladder)trans-126.4121.9179.9-60.3-94.4000108.4I292 V301 F320 F343 H435I292-Y345 HydrophobicContact CD1-CD2 3.82Å; I292-Y345 HydrophobicContact CD1-CG 4.21Å; I292-Y345 HydrophobicContact CG1-CD2 3.94Å; I292-Y345 HydrophobicContact CG1-CG 3.98Å; I292-Y345 HydrophobicContact CG2-CG 4.22Å; V301-Y345 HydrophobicContact CB-CE1 4.32Å; V301-Y345 HydrophobicContact CB-CE2 4.38Å; V301-Y345 HydrophobicContact CG1-CD1 4.37Å; V301-Y345 HydrophobicContact CG1-CE1 3.79Å; V301-Y345 HydrophobicContact CG2-CD2 4.38Å; V301-Y345 HydrophobicContact CG2-CE1 4.46Å; V301-Y345 HydrophobicContact CG2-CE2 3.76Å; F320-Y345 HydrophobicContact CD1-CD2 4.44Å; F320-Y345 AromaticContact CD1-CE2 3.95Å; F320-Y345 HydrophobicContact CD1-CE2 3.95Å; F320-Y345 HydrophobicContact CE1-CD2 4.13Å; F320-Y345 AromaticContact CE1-CE2 3.76Å; F320-Y345 HydrophobicContact CE1-CE2 3.76Å; F343-Y345 HydrophobicContact CB-CE2 4.24Å; Y345-H435 CarbonylContact C-O 3.56Å; Y345-H435 WeakPolarHBondContact CA-O 3.43Å; Y345-H435 HydrophobicContact CD1-CB 3.47Å; Y345-H435 VanDerWaalsContact CD1-CB 3.47Å; Y345-H435 AromaticContact CD1-CG 3.81Å; Y345-H435 HydrophobicContact CE1-CB 3.82Å; Y345-H435 AromaticContact CE1-CD2 3.61Å; Y345-H435 AromaticContact CE1-CG 3.59Å; Y345-H435 HydrophobicContact CG-CB 4.23Å; Y345-H435 AromaticContact CZ-CD2 3.92Å
346L93.3Very high90.6Very high42 Ų4245.8 Ų45.822%0.2225%0.254CS..EExtended strand (participates in β ladder)trans-119.1118.4-176.7-58.7178.4000108.9L358 F359 V434 H435 L437L346-L358 HydrophobicContact CD1-CB 4.03Å; L346-L358 WeakPolarHBondContact CD1-O 3.02Å; L346-F359 HydrophobicContact CD1-CB 4.42Å; L346-V434 HydrophobicContact CD1-CG1 3.52Å; L346-V434 HydrophobicContact CG-CG1 4Å; L346-H435 PolarHBondContact N-O 3.04Å; L346-L437 PolarHBondContact O-N 3.13Å
347S91.3Very high90.6Very high51 Ų5145.5 Ų45.536%0.35726%0.256SS..EExtended strand (participates in β ladder)trans-88.9123.6172.7-174.50000109.6G295 L437G295-S347 PolarHBondContact N-OG 3.45Å; S347-L437 WeakPolarHBondContact CA-O 3.15Å
348L90.9Very high90.6Very high24 Ų2446.2 Ų46.213%0.12626%0.258CS..EExtended strand (participates in β ladder)trans-127.1145.2-178.2-58-179.7000111.3L352 L358 V436 L437 V438 S439L348-L352 HydrophobicContact CD1-CD2 3.96Å; L348-L352 HydrophobicContact CD2-CD2 4.16Å; L348-L352 HydrophobicContact CG-CD2 4.48Å; L348-L358 HydrophobicContact CD1-CD1 3.84Å; L348-L358 HydrophobicContact CD1-CD2 3.68Å; L348-L358 HydrophobicContact CD1-CG 4.42Å; L348-L358 HydrophobicContact CD2-CD2 4.04Å; L348-V436 HydrophobicContact CD1-CG1 3.39Å; L348-V436 HydrophobicContact CG-CG1 4.06Å; L348-L437 PolarHBondContact N-O 2.88Å; L348-V438 CarbonylContact O-C 3.38Å; L348-V438 WeakPolarHBondContact O-CA 3.06Å; L348-S439 PolarHBondContact O-N 2.89Å
349P88.8Confident90.6Very high38 Ų3846.4 Ų46.425%0.24726%0.256CS..  trans-73.1160.6169.932-35000111.5T351 L352P349-T351 VanDerWaalsContact C-N 3.3Å; P349-T351 PolarHBondContact O-N 3.45Å; P349-L352 HydrophobicContact CG-CD1 4.41Å
350S83.4Confident90.6Very high28 Ų2849.7 Ų49.720%0.19627%0.266CS..THydrogen-bonded Turntrans-70.5-18.3-179.857.50000115L406 S439 Y441 S442S350-L406 VanDerWaalsContact O-O 3.04Å; S350-S439 WeakPolarHBondContact CB-O 3.4Å; S350-Y441 WeakPolarHBondContact CB-O 3.26Å; S350-Y441 PolarHBondContact N-O 2.98Å; S350-Y441 PolarHBondContact OG-O 3.12Å; S350-S442 WeakPolarHBondContact OG-CA 3.42Å; S350-S442 PolarHBondContact OG-N 2.85Å
351T82.4Confident90.4Very high78 Ų7849.4 Ų49.448%0.47926%0.263SS..THydrogen-bonded Turntrans-112.431.9-17853.20000112.6P349 Q353 S442P349-T351 VanDerWaalsContact C-N 3.3Å; P349-T351 PolarHBondContact O-N 3.45Å; T351-Q353 PolarHBondContact O-N 3.11Å; T351-S442 WeakPolarHBondContact OG1-CA 3.45Å; T351-S442 WeakPolarHBondContact OG1-CB 3.36Å; T351-S442 PolarHBondContact OG1-O 2.95Å
352L85.8Confident90Very high45 Ų4551.7 Ų51.724%0.23628%0.284CS..  trans-58.5126175.2-167.870.3000110.2L348 P349 T354 A356 L358 L402L348-L352 HydrophobicContact CD1-CD2 3.96Å; L348-L352 HydrophobicContact CD2-CD2 4.16Å; L348-L352 HydrophobicContact CG-CD2 4.48Å; P349-L352 HydrophobicContact CG-CD1 4.41Å; L352-T354 PolarHBondContact O-N 3.28Å; L352-A356 HydrophobicContact CD2-CB 3.85Å; L352-A356 HydrophobicContact CG-CB 4.18Å; L352-L358 HydrophobicContact CD2-CD2 3.83Å; L352-L402 HydrophobicContact CD2-CD2 3.96Å
353Q84.9Confident89.1Confident143 Ų14351.5 Ų51.567%0.66828%0.282SS*.  trans-67.9130.9177.3-66.2-175.7-1.300110T351 A356T351-Q353 PolarHBondContact O-N 3.11Å; Q353-A356 WeakPolarHBondContact O-CB 3.49Å
354T83.6Confident87.5Confident38 Ų3856.1 Ų56.123%0.23332%0.322CS..SBendtrans-107.6142.3177.353.60000110.8L352 L402 Q405L352-T354 PolarHBondContact O-N 3.28Å; T354-L402 HydrophobicContact CG2-CD2 3.86Å; T354-L402 HydrophobicContact CG2-CG 3.94Å; T354-Q405 HydrophobicContact CG2-CG 4.07Å
355P87.5Confident85.6Confident66 Ų6655.1 Ų55.143%0.42932%0.324SS..SBendcis-80.11406.131-34.1000114F97 I401 L402F97-P355 HydrophobicContact CZ-CB 3.93Å; F97-P355 HydrophobicContact CZ-CG 4.21Å; P355-I401 HydrophobicContact CB-CG2 3.96Å; P355-L402 VanDerWaalsContact CA-O 3.25Å; P355-L402 WeakPolarHBondContact CA-O 3.35Å
356A89.8Confident83.4Confident17 Ų1755.7 Ų55.714%0.1434%0.338CS..EExtended strand (participates in β ladder)trans-127.1130.9178.600000112.2L352 Q353 L358 I401 L402L352-A356 HydrophobicContact CD2-CB 3.85Å; L352-A356 HydrophobicContact CG-CB 4.18Å; Q353-A356 WeakPolarHBondContact O-CB 3.49Å; A356-L358 HydrophobicContact CB-CD2 4.3Å; A356-L358 PolarHBondContact O-N 3.22Å; A356-I401 CarbonylContact O-C 3.47Å; A356-I401 WeakPolarHBondContact O-CA 3.49Å; A356-L402 PolarHBondContact N-O 2.82Å; A356-L402 PolarHBondContact O-N 3Å
357T92.1Very high81.1Confident80 Ų8060.4 Ų60.449%0.49137%0.371SS..EExtended strand (participates in β ladder)trans-77.7113.3172.945.80000109.6E399 I401T357-E399 HydrophobicContact CG2-CB 4.48Å; T357-I401 HydrophobicContact CG2-CD1 4.47Å; T357-I401 HydrophobicContact CG2-CG1 4.06Å
358L92.4Very high79Confident26 Ų2662.1 Ų62.114%0.13640%0.397CS..EExtended strand (participates in β ladder)trans-96.5-34.1-174.8-62.1-171.4000113.2L346 L348 L352 A356 F388 L400 L402 V436L346-L358 HydrophobicContact CD1-CB 4.03Å; L346-L358 WeakPolarHBondContact CD1-O 3.02Å; L348-L358 HydrophobicContact CD1-CD1 3.84Å; L348-L358 HydrophobicContact CD1-CD2 3.68Å; L348-L358 HydrophobicContact CD1-CG 4.42Å; L348-L358 HydrophobicContact CD2-CD2 4.04Å; L352-L358 HydrophobicContact CD2-CD2 3.83Å; A356-L358 HydrophobicContact CB-CD2 4.3Å; A356-L358 PolarHBondContact O-N 3.22Å; L358-F388 HydrophobicContact CD1-CD1 4.24Å; L358-F388 HydrophobicContact CD1-CE1 3.81Å; L358-L400 PolarHBondContact N-O 2.9Å; L358-L402 HydrophobicContact CD1-CB 3.81Å; L358-L402 HydrophobicContact CD2-CB 4.38Å; L358-L402 HydrophobicContact CG-CB 3.97Å; L358-V436 HydrophobicContact CD1-CG2 4.27Å
359F93.6Very high77.4Confident30 Ų3070.8 Ų70.813%0.13243%0.428CS..EExtended strand (participates in β ladder)trans-151.1145.4-171.7-176.8-107.7000111H344 L346 M361 E399 L400 V416 A432 V434H344-F359 HydrophobicContact CB-CE2 4.21Å; H344-F359 AromaticContact CD2-CE2 3.79Å; H344-F359 AromaticContact CD2-CZ 3.63Å; H344-F359 AromaticContact CE1-CE2 3.75Å; H344-F359 AromaticContact CE1-CZ 3.87Å; H344-F359 AromaticContact CG-CE2 3.58Å; H344-F359 AromaticContact CG-CZ 3.93Å; H344-F359 AromaticContact ND1-CE2 3.57Å; H344-F359 AromaticContact NE2-CE2 3.88Å; H344-F359 AromaticContact NE2-CZ 3.58Å; L346-F359 HydrophobicContact CD1-CB 4.42Å; F359-M361 HydrophobicContact CD1-CG 3.81Å; F359-M361 HydrophobicContact CE1-CG 3.21Å; F359-M361 HydrophobicContact CE1-SD 3.91Å; F359-M361 HydrophobicContact CZ-CG 4.1Å; F359-E399 CarbonylContact O-C 3.56Å; F359-E399 WeakPolarHBondContact O-CA 3.39Å; F359-L400 HydrophobicContact CB-CB 3.95Å; F359-L400 HydrophobicContact CB-CD2 4.2Å; F359-L400 PolarHBondContact N-O 2.85Å; F359-L400 PolarHBondContact O-N 2.93Å; F359-V416 HydrophobicContact CD1-CG2 4.21Å; F359-V416 HydrophobicContact CE1-CG2 4.3Å; F359-A432 HydrophobicContact CE1-CB 3.68Å; F359-A432 HydrophobicContact CZ-CB 3.89Å; F359-V434 HydrophobicContact CB-CG2 4.49Å; F359-V434 HydrophobicContact CD1-CG2 3.87Å; F359-V434 HydrophobicContact CD2-CG2 4.36Å; F359-V434 HydrophobicContact CE1-CG2 4.07Å; F359-V434 HydrophobicContact CG-CG2 4Å; F359-V434 HydrophobicContact CZ-CG2 4.46Å
360R92.3Very high75.9Confident160 Ų16075.9 Ų75.960%0.60446%0.459SS*.EExtended strand (participates in β ladder)trans-123.2135.2177.6-63.6-169.5163156.6-4.7110.1T397 G398 E399R360-T397 HydrophobicContact CB-CG2 4.44Å; R360-G398 CarbonylContact C-O 3.58Å; R360-G398 WeakPolarHBondContact CA-O 3.46Å; R360-E399 HydrophobicContact CG-CG 4.12Å; R360-E399 IonicContact CZ-OE1 3.47Å; R360-E399 IonicContact NE-OE1 3.76Å; R360-E399 PolarHBondContact NE-OE1 3.21Å; R360-E399 IonicContact NH2-OE1 2.84Å; R360-E399 PolarHBondContact NH2-OE1 3.32Å
361M90.4Very high74.7Confident18 Ų1875.6 Ų75.69%0.08946%0.46CS..EExtended strand (participates in β ladder)trans-116.9126.8172-65.1-174.674.400108.9F359 F377 M390 T397 G398 V416 M418 A432F359-M361 HydrophobicContact CD1-CG 3.81Å; F359-M361 HydrophobicContact CE1-CG 3.21Å; F359-M361 HydrophobicContact CE1-SD 3.91Å; F359-M361 HydrophobicContact CZ-CG 4.1Å; M361-F377 HydrophobicContact CB-CE1 4.28Å; M361-M390 HydrophobicContact CB-CE 4.34Å; M361-M390 HydrophobicContact CG-CE 4.38Å; M361-M390 HydrophobicContact SD-CE 4.23Å; M361-T397 CarbonylContact O-C 3.44Å; M361-T397 WeakPolarHBondContact O-CA 3.01Å; M361-G398 PolarHBondContact N-O 2.79Å; M361-G398 PolarHBondContact O-N 3.27Å; M361-V416 HydrophobicContact SD-CB 3.92Å; M361-V416 HydrophobicContact SD-CG2 4.06Å; M361-M418 HydrophobicContact CE-CB 3.93Å; M361-A432 HydrophobicContact CE-CB 3.84Å; M361-A432 HydrophobicContact SD-CB 3.99Å
362A86.8Confident73.8Confident62 Ų6273 Ų7351%0.51245%0.445SS..EExtended strand (participates in β ladder)trans-136.7156.6175.700000110.9Q396 T397A362-Q396 VanDerWaalsContact CA-O 3.29Å; A362-Q396 WeakPolarHBondContact CA-O 3.3Å; A362-T397 HydrophobicContact CB-CG2 4.47Å
363T77.4Confident72.8Confident22 Ų2277.6 Ų77.614%0.13547%0.465CS..  trans-84.8136.5167.653.80000110.4A365 P372 L375 Q396 M418T363-A365 VanDerWaalsContact C-N 3.28Å; T363-A365 PolarHBondContact O-N 2.81Å; T363-P372 HydrophobicContact CG2-CG 4.14Å; T363-L375 HydrophobicContact CG2-CD1 3.75Å; T363-L375 HydrophobicContact CG2-CD2 3.79Å; T363-L375 HydrophobicContact CG2-CG 4.41Å; T363-Q396 PolarHBondContact N-O 2.86Å; T363-M418 HydrophobicContact CG2-CE 3.55Å; T363-M418 HydrophobicContact CG2-SD 3.77Å
364A61.4Low72.5Confident109 Ų10973 Ų7390%0.90145%0.449SS*.  trans-76.182.5168.700000108.8A366A364-A366 PolarHBondContact O-N 2.92Å
365A55.2Low72.6Confident39 Ų3971.5 Ų71.532%0.32244%0.439SS..  trans-70.6113.6167.800000108.3T363T363-A365 VanDerWaalsContact C-N 3.28Å; T363-A365 PolarHBondContact O-N 2.81Å
366A48.6Very low72.5Confident54 Ų5475.2 Ų75.245%0.44644%0.444SS..  trans-59.8142.1171.800000109.8A364 G368 R369A364-A366 PolarHBondContact O-N 2.92Å; A366-G368 PolarHBondContact O-N 3.16Å; A366-G368 VanDerWaalsContact O-N 3.09Å; A366-R369 PolarHBondContact O-N 3.19Å; A366-R369 VanDerWaalsContact O-N 3.16Å
367P43.9Very low72.5Confident140 Ų14075.9 Ų75.991%0.90944%0.444SS*.THydrogen-bonded Turntrans-52.8120.7175.7-21.930.7000110.3
368G48.5Very low72.3Confident88 Ų8872.9 Ų72.991%0.90743%0.43SS*.THydrogen-bonded Turntrans93.20.6176.500000117.1A366A366-G368 PolarHBondContact O-N 3.16Å; A366-G368 VanDerWaalsContact O-N 3.09Å
369R56.8Low72Confident205 Ų20574 Ų7477%0.77444%0.435SS*.SBendtrans-94.4137.3163.4-75.7-169.6179.1-162.90.8110A366 G371A366-R369 PolarHBondContact O-N 3.19Å; A366-R369 VanDerWaalsContact O-N 3.16Å; R369-G371 VanDerWaalsContact C-N 3.35Å; R369-G371 PolarHBondContact O-N 3.11Å
370T57.7Low71.5Confident146 Ų14675.2 Ų75.290%0.89645%0.451SS*.  trans-59.9103.5162.949.60000106.5
371G57.3Low70.9Confident21 Ų2169 Ų6922%0.21644%0.436CS..  trans-55.9167.717400000110.6R369 E373R369-G371 VanDerWaalsContact C-N 3.35Å; R369-G371 PolarHBondContact O-N 3.11Å; G371-E373 PolarHBondContact O-N 3.27Å
372P63.5Low69.9Low25 Ų2570 Ų7016%0.16245%0.452CS..  trans-51.4133.2-179.416.8-28.7000111.6T363 S374 L375 E420T363-P372 HydrophobicContact CG2-CG 4.14Å; P372-S374 PolarHBondContact O-N 3.35Å; P372-L375 HydrophobicContact CB-CD2 4.01Å; P372-L375 HydrophobicContact CG-CD2 3.63Å; P372-L375 HydrophobicContact CG-CG 4.19Å; P372-E420 HydrophobicContact CB-CG 3.42Å; P372-E420 VanDerWaalsContact CB-CG 3.42Å; P372-E420 VanDerWaalsContact CB-OE1 3.29Å; P372-E420 WeakPolarHBondContact CB-OE1 3.36Å; P372-E420 HydrophobicContact CG-CG 3.88Å; P372-E420 WeakPolarHBondContact CG-OE1 3.28Å
373E64.4Low69Low141 Ų14169.2 Ų69.266%0.65944%0.439SS*.SBendtrans-63.4-28.7-177.1-63.8-168.4136.800111.7G371 D423G371-E373 PolarHBondContact O-N 3.27Å; E373-D423 PolarHBondContact OE2-N 2.84Å
374S78.5Confident68Low47 Ų4773.5 Ų73.533%0.32947%0.469SS..EExtended strand (participates in β ladder)trans-149.4127.5-179.9-170.50000112.8P372 Y421P372-S374 PolarHBondContact O-N 3.35Å; S374-Y421 PolarHBondContact N-O 2.78Å; S374-Y421 PolarHBondContact O-N 3.25Å
375L85.8Confident68Low6 Ų678 Ų783%0.03146%0.463CS..EExtended strand (participates in β ladder)trans-108.2141.9169.9-62.8-178000110.3T363 P372 F377 Q396 M418 S419 E420T363-L375 HydrophobicContact CG2-CD1 3.75Å; T363-L375 HydrophobicContact CG2-CD2 3.79Å; T363-L375 HydrophobicContact CG2-CG 4.41Å; P372-L375 HydrophobicContact CB-CD2 4.01Å; P372-L375 HydrophobicContact CG-CD2 3.63Å; P372-L375 HydrophobicContact CG-CG 4.19Å; L375-F377 HydrophobicContact CB-CE2 3.84Å; L375-F377 HydrophobicContact CB-CZ 3.91Å; L375-F377 HydrophobicContact CD1-CE2 4.41Å; L375-F377 HydrophobicContact CD1-CZ 3.79Å; L375-Q396 VanDerWaalsContact CD1-O 3.28Å; L375-Q396 WeakPolarHBondContact CD1-O 3.46Å; L375-M418 HydrophobicContact CD1-SD 4.24Å; L375-S419 WeakPolarHBondContact CA-O 3.23Å; L375-E420 HydrophobicContact CD2-CB 4.19Å; L375-E420 HydrophobicContact CD2-CG 4.09Å
376R86.6Confident68.7Low143 Ų14376.4 Ų76.454%0.5445%0.451SS..EExtended strand (participates in β ladder)trans-118.9131.7169.8-64.5-170.6177.1-138.5-3109.6M418 S419 Y421R376-M418 CarbonylContact O-C 3.53Å; R376-M418 WeakPolarHBondContact O-CA 3.49Å; R376-S419 PolarHBondContact N-O 3.09Å; R376-S419 PolarHBondContact O-N 2.91Å; R376-Y421 HydrophobicContact CB-CE2 4.12Å; R376-Y421 HydrophobicContact CG-CD2 4.14Å; R376-Y421 HydrophobicContact CG-CE2 3.7Å
377F89.2Confident70.3Confident31 Ų3174.7 Ų74.714%0.13644%0.435CS..EExtended strand (participates in β ladder)trans-112.9146.4176.4-55.8-83.4000109.7M361 L375 M390 R392 G398 E417 M418M361-F377 HydrophobicContact CB-CE1 4.28Å; L375-F377 HydrophobicContact CB-CE2 3.84Å; L375-F377 HydrophobicContact CB-CZ 3.91Å; L375-F377 HydrophobicContact CD1-CE2 4.41Å; L375-F377 HydrophobicContact CD1-CZ 3.79Å; F377-M390 HydrophobicContact CB-CE 3.78Å; F377-M390 HydrophobicContact CB-CG 3.64Å; F377-M390 HydrophobicContact CD1-CE 3.58Å; F377-M390 HydrophobicContact CE1-CE 4.46Å; F377-M390 HydrophobicContact CG-CE 3.94Å; F377-R392 HydrophobicContact CD2-CB 4.32Å; F377-R392 HydrophobicContact CD2-CG 4.34Å; F377-R392 HydrophobicContact CE2-CG 4.17Å; F377-G398 VanDerWaalsContact CZ-N 3.26Å; F377-E417 WeakPolarHBondContact CA-O 3.36Å; F377-M418 HydrophobicContact CD1-CB 4Å; F377-M418 HydrophobicContact CD1-CG 3.88Å; F377-M418 HydrophobicContact CE1-CB 4.08Å; F377-M418 HydrophobicContact CE1-CG 3.54Å; F377-M418 HydrophobicContact CE1-SD 3.71Å; F377-M418 HydrophobicContact CZ-CG 4.3Å; F377-M418 HydrophobicContact CZ-SD 4.32Å
378G87.1Confident72.4Confident18 Ų1868.1 Ų68.119%0.18639%0.392CS..EExtended strand (participates in β ladder)trans-162.2174.2178.800000112.2E417G378-E417 PolarHBondContact N-O 3.46Å; G378-E417 PolarHBondContact O-N 3.28Å
379I87.4Confident74.2Confident48 Ų4864.6 Ų64.625%0.24635%0.353CS..EExtended strand (participates in β ladder)trans-108.8120.3171.1-57.3173.4000107.2N383 F388 M390 L400 V414 D415 V416I379-N383 HydrophobicContact CD1-CB 4.25Å; I379-N383 HydrophobicContact CG2-CB 3.87Å; I379-F388 HydrophobicContact CD1-CB 4.16Å; I379-F388 WeakPolarHBondContact CD1-O 2.99Å; I379-M390 HydrophobicContact CD1-CB 4.41Å; I379-M390 HydrophobicContact CG1-CB 3.92Å; I379-L400 HydrophobicContact CD1-CD1 4.42Å; I379-V414 HydrophobicContact CG2-CG1 3.72Å; I379-D415 CarbonylContact C-O 3.53Å; I379-D415 WeakPolarHBondContact CA-O 3.33Å; I379-D415 WeakPolarHBondContact CG2-O 3.4Å; I379-V416 HydrophobicContact CG1-CG1 4.09Å
380A83.1Confident75.7Confident57 Ų5756.1 Ų56.147%0.47132%0.322SS..EExtended strand (participates in β ladder)trans-85.9-26-177.600000112.7D415 E417A380-D415 HydrophobicContact CB-CB 4.17Å; A380-D415 PolarHBondContact N-O 2.87Å; A380-E417 HydrophobicContact CB-CB 4.34Å; A380-E417 HydrophobicContact CB-CG 4.2Å; A380-E417 WeakPolarHBondContact CB-OE2 3.05Å
381G79.5Confident77Confident29 Ų2952.8 Ų52.830%0.29930%0.297SS..EExtended strand (participates in β ladder)trans-174163-177.800000113.1D415G381-D415 PolarHBondContact O-N 3.37Å
382G68.5Low78.4Confident40 Ų4057.2 Ų57.241%0.41231%0.307SS..  trans85.30.2175.600000116.4S384 S413G382-S384 PolarHBondContact O-N 3.41Å; G382-S413 WeakPolarHBondContact CA-O 3.08Å
383N68.1Low79.3Confident45 Ų4559.2 Ų59.224%0.24132%0.322CS..  trans-9362.9175.6-169.525.2000112I379 R385 G386 T387 F388I379-N383 HydrophobicContact CD1-CB 4.25Å; I379-N383 HydrophobicContact CG2-CB 3.87Å; N383-R385 PolarHBondContact O-N 3.42Å; N383-G386 WeakPolarHBondContact OD1-CA 3.34Å; N383-G386 PolarHBondContact OD1-N 2.78Å; N383-T387 PolarHBondContact OD1-N 3.45Å; N383-T387 VanDerWaalsContact OD1-N 3.15Å; N383-F388 PolarHBondContact ND2-O 2.72Å; N383-F388 PolarHBondContact OD1-N 2.03Å
384S56.4Low80.2Confident111 Ų11156.2 Ų56.278%0.77631%0.31SS*.THydrogen-bonded Turntrans-64.4-8.6-171.249.10000115.2G382G382-S384 PolarHBondContact O-N 3.41Å
385R61.9Low80.2Confident203 Ų20364 Ų6477%0.76633%0.332SS*.THydrogen-bonded Turntrans-152.420.2-171.8-60.4-171.8-178-176.70.9116.4N383 T387 Q404N383-R385 PolarHBondContact O-N 3.42Å; R385-T387 PolarHBondContact O-N 3.24Å; R385-Q404 PolarHBondContact O-NE2 3.47Å
386G69.4Low80Confident6 Ų667.3 Ų67.36%0.06235%0.348CS..SBendtrans65.125-176.900000113.5N383 F388 V403 Q404N383-G386 WeakPolarHBondContact OD1-CA 3.34Å; N383-G386 PolarHBondContact OD1-N 2.78Å; G386-F388 VanDerWaalsContact C-N 3.29Å; G386-V403 WeakPolarHBondContact O-CG2 3.46Å; G386-Q404 PolarHBondContact O-NE2 2.95Å
387T82Confident80Confident19 Ų1961.5 Ų61.512%0.11733%0.328CS..  trans-70.6-31179.6-55.60000111.3N383 R385 L402 V403 Q404 L406N383-T387 PolarHBondContact OD1-N 3.45Å; N383-T387 VanDerWaalsContact OD1-N 3.15Å; R385-T387 PolarHBondContact O-N 3.24Å; T387-L402 HydrophobicContact CG2-CD1 3.78Å; T387-V403 VanDerWaalsContact O-CG2 3.23Å; T387-V403 WeakPolarHBondContact O-CG2 3.03Å; T387-V403 PolarHBondContact O-N 2.88Å; T387-Q404 HydrophobicContact CG2-CB 4.33Å; T387-L406 HydrophobicContact CG2-CD2 3.51Å
388F88.3Confident80.1Confident2 Ų260 Ų601%0.00932%0.321CS..EExtended strand (participates in β ladder)trans-119.8142.6178.3-53.7-89.1000110L358 I379 N383 G386 L400 I401 L402 L406 I412 V414 V436L358-F388 HydrophobicContact CD1-CD1 4.24Å; L358-F388 HydrophobicContact CD1-CE1 3.81Å; I379-F388 HydrophobicContact CD1-CB 4.16Å; I379-F388 WeakPolarHBondContact CD1-O 2.99Å; N383-F388 PolarHBondContact ND2-O 2.72Å; N383-F388 PolarHBondContact OD1-N 2.03Å; G386-F388 VanDerWaalsContact C-N 3.29Å; F388-L400 HydrophobicContact CB-CD1 3.79Å; F388-L400 HydrophobicContact CD1-CD1 4.43Å; F388-L400 HydrophobicContact CD1-CG 4.44Å; F388-L400 HydrophobicContact CG-CD1 4.45Å; F388-I401 CarbonylContact C-O 3.57Å; F388-I401 WeakPolarHBondContact CA-O 3.47Å; F388-L402 HydrophobicContact CD1-CD1 3.94Å; F388-L402 HydrophobicContact CE1-CD1 3.55Å; F388-L402 HydrophobicContact CZ-CD1 4.02Å; F388-L406 HydrophobicContact CZ-CD1 4.36Å; F388-I412 HydrophobicContact CE2-CG2 3.8Å; F388-I412 HydrophobicContact CZ-CD1 4.44Å; F388-I412 HydrophobicContact CZ-CG2 4.16Å; F388-V414 HydrophobicContact CD1-CG2 4.36Å; F388-V414 HydrophobicContact CD2-CG2 3.42Å; F388-V414 VanDerWaalsContact CD2-CG2 3.42Å; F388-V414 HydrophobicContact CE1-CG2 4.36Å; F388-V414 HydrophobicContact CE2-CG2 3.44Å; F388-V414 VanDerWaalsContact CE2-CG2 3.44Å; F388-V414 HydrophobicContact CG-CG2 3.91Å; F388-V414 HydrophobicContact CZ-CG2 3.92Å; F388-V436 HydrophobicContact CE1-CG2 4.19Å; F388-V436 HydrophobicContact CZ-CG2 4.34Å
389V87.5Confident80.3Confident14 Ų1460.1 Ų60.19%0.08532%0.317CS..EExtended strand (participates in β ladder)trans-124.5137.3171.5-176.90000109.1F97 H108 I401 V403F97-V389 HydrophobicContact CB-CG1 4.03Å; F97-V389 HydrophobicContact CB-CG2 4.35Å; H108-V389 HydrophobicContact CB-CG2 4.29Å; H108-V389 VanDerWaalsContact CD2-CG2 3.46Å; H108-V389 WeakPolarHBondContact CD2-CG2 3.39Å; V389-I401 PolarHBondContact N-O 3.33Å; V389-I401 PolarHBondContact O-N 3.18Å; V389-V403 HydrophobicContact CB-CG1 4.29Å; V389-V403 HydrophobicContact CG2-CB 4.5Å; V389-V403 HydrophobicContact CG2-CG1 3.84Å; V389-V403 HydrophobicContact CG2-CG2 3.84Å
390M87.5Confident80.5Confident26 Ų2657.9 Ų57.913%0.12831%0.305CS..EExtended strand (participates in β ladder)trans-98117171.1-170.165.1179.300108.9M361 F377 I379 E399 L400 V416M361-M390 HydrophobicContact CB-CE 4.34Å; M361-M390 HydrophobicContact CG-CE 4.38Å; M361-M390 HydrophobicContact SD-CE 4.23Å; F377-M390 HydrophobicContact CB-CE 3.78Å; F377-M390 HydrophobicContact CB-CG 3.64Å; F377-M390 HydrophobicContact CD1-CE 3.58Å; F377-M390 HydrophobicContact CE1-CE 4.46Å; F377-M390 HydrophobicContact CG-CE 3.94Å; I379-M390 HydrophobicContact CD1-CB 4.41Å; I379-M390 HydrophobicContact CG1-CB 3.92Å; M390-E399 WeakPolarHBondContact CA-O 3.32Å; M390-E399 VanDerWaalsContact SD-C 3.5Å; M390-E399 VanDerWaalsContact SD-O 3.35Å; M390-L400 HydrophobicContact SD-CB 4.23Å; M390-V416 HydrophobicContact CB-CG1 4.44Å; M390-V416 HydrophobicContact CE-CG1 4.47Å; M390-V416 HydrophobicContact CG-CG1 4.22Å; M390-V416 HydrophobicContact SD-CG1 3.63Å
391Q85.8Confident80.9Confident77 Ų7755.7 Ų55.736%0.3629%0.286SS..EExtended strand (participates in β ladder)trans-120.7142.3-178.7-179167.7-12.800111F97 G398 E399 I401F97-Q391 VanDerWaalsContact CD1-OE1 3.26Å; Q391-G398 CarbonylContact O-C 3.57Å; Q391-G398 WeakPolarHBondContact O-CA 3.38Å; Q391-E399 PolarHBondContact N-O 3.4Å; Q391-E399 PolarHBondContact O-N 3.17Å; Q391-I401 HydrophobicContact CB-CD1 3.96Å
392R85Confident81.4Confident113 Ų11354.4 Ų54.443%0.42627%0.272SS..EExtended strand (participates in β ladder)trans-78122.9171.1-174.4178-171.5172.88.8109.3F377 D394 R395F377-R392 HydrophobicContact CD2-CB 4.32Å; F377-R392 HydrophobicContact CD2-CG 4.34Å; F377-R392 HydrophobicContact CE2-CG 4.17Å; R392-D394 WeakPolarHBondContact CD-O 3.24Å; R392-D394 WeakPolarHBondContact CG-O 3.36Å; R392-D394 PolarHBondContact NE-O 2.91Å; R392-R395 PolarHBondContact NH2-O 2.93Å
393S84.3Confident82.2Confident68 Ų6852.8 Ų52.848%0.47625%0.254SS..  trans-90.9-45.9177.1177.40000111.3T397 E399S393-T397 PolarHBondContact N-O 3.31Å; S393-E399 VanDerWaalsContact CB-CD 3.49Å
394D81.7Confident82.9Confident78 Ų7854.3 Ų54.342%0.41726%0.26SS..SBendtrans-138.4-167.9175.569.639.7000111.5R392 Q396 T397R392-D394 WeakPolarHBondContact CD-O 3.24Å; R392-D394 WeakPolarHBondContact CG-O 3.36Å; R392-D394 PolarHBondContact NE-O 2.91Å; D394-Q396 VanDerWaalsContact C-N 3.25Å; D394-Q396 PolarHBondContact O-N 3.28Å; D394-Q396 WeakPolarHBondContact OD1-CA 3.28Å; D394-Q396 PolarHBondContact OD1-N 3.01Å; D394-T397 VanDerWaalsContact CG-CB 3.47Å; D394-T397 VanDerWaalsContact CG-OG1 3.25Å; D394-T397 PolarHBondContact N-O 3.36Å; D394-T397 WeakPolarHBondContact OD1-CA 3.41Å; D394-T397 VanDerWaalsContact OD1-CB 3.26Å; D394-T397 WeakPolarHBondContact OD1-CB 3.3Å; D394-T397 PolarHBondContact OD1-N 3.26Å; D394-T397 PolarHBondContact OD1-OG1 2.68Å; D394-T397 VanDerWaalsContact OD1-OG1 3.05Å; D394-T397 VanDerWaalsContact OD2-CB 3.32Å; D394-T397 WeakPolarHBondContact OD2-CB 3.42Å; D394-T397 PolarHBondContact OD2-OG1 2.83Å
395R78.9Confident84.1Confident211 Ų21155.7 Ų55.780%0.79625%0.254SS*.SBendtrans-65.6-27.1-179.3-73.7-167.6179.4-170.92114.1R392R392-R395 PolarHBondContact NH2-O 2.93Å
396Q82.2Confident85.2Confident75 Ų7546.8 Ų46.835%0.3522%0.221SC..SBendtrans-114.5-10.9-172.4-64.7-174.9-1900113.6A362 T363 L375 D394A362-Q396 VanDerWaalsContact CA-O 3.29Å; A362-Q396 WeakPolarHBondContact CA-O 3.3Å; T363-Q396 PolarHBondContact N-O 2.86Å; L375-Q396 VanDerWaalsContact CD1-O 3.28Å; L375-Q396 WeakPolarHBondContact CD1-O 3.46Å; D394-Q396 VanDerWaalsContact C-N 3.25Å; D394-Q396 PolarHBondContact O-N 3.28Å; D394-Q396 WeakPolarHBondContact OD1-CA 3.28Å; D394-Q396 PolarHBondContact OD1-N 3.01Å
397T86.7Confident85.8Confident20 Ų2056.9 Ų56.912%0.12326%0.258CS..EExtended strand (participates in β ladder)trans-122.7131.9-169.1-49.40000111.8R360 M361 A362 S393 D394R360-T397 HydrophobicContact CB-CG2 4.44Å; M361-T397 CarbonylContact O-C 3.44Å; M361-T397 WeakPolarHBondContact O-CA 3.01Å; A362-T397 HydrophobicContact CB-CG2 4.47Å; S393-T397 PolarHBondContact N-O 3.31Å; D394-T397 VanDerWaalsContact CG-CB 3.47Å; D394-T397 VanDerWaalsContact CG-OG1 3.25Å; D394-T397 PolarHBondContact N-O 3.36Å; D394-T397 WeakPolarHBondContact OD1-CA 3.41Å; D394-T397 VanDerWaalsContact OD1-CB 3.26Å; D394-T397 WeakPolarHBondContact OD1-CB 3.3Å; D394-T397 PolarHBondContact OD1-N 3.26Å; D394-T397 PolarHBondContact OD1-OG1 2.68Å; D394-T397 VanDerWaalsContact OD1-OG1 3.05Å; D394-T397 VanDerWaalsContact OD2-CB 3.32Å; D394-T397 WeakPolarHBondContact OD2-CB 3.42Å; D394-T397 PolarHBondContact OD2-OG1 2.83Å
398G90Very high85.6Confident0 Ų057.3 Ų57.30%027%0.266CS..EExtended strand (participates in β ladder)trans-117.4145.3168.100000110.9R360 M361 F377 Q391R360-G398 CarbonylContact C-O 3.58Å; R360-G398 WeakPolarHBondContact CA-O 3.46Å; M361-G398 PolarHBondContact N-O 2.79Å; M361-G398 PolarHBondContact O-N 3.27Å; F377-G398 VanDerWaalsContact CZ-N 3.26Å; Q391-G398 CarbonylContact O-C 3.57Å; Q391-G398 WeakPolarHBondContact O-CA 3.38Å
399E92.4Very high85.6Confident21 Ų2162.2 Ų62.210%0.09830%0.298CS..EExtended strand (participates in β ladder)trans-121.2131.6-176.5-55.6-172.7144.200110.2T357 F359 R360 M390 Q391 S393 I401T357-E399 HydrophobicContact CG2-CB 4.48Å; F359-E399 CarbonylContact O-C 3.56Å; F359-E399 WeakPolarHBondContact O-CA 3.39Å; R360-E399 HydrophobicContact CG-CG 4.12Å; R360-E399 IonicContact CZ-OE1 3.47Å; R360-E399 IonicContact NE-OE1 3.76Å; R360-E399 PolarHBondContact NE-OE1 3.21Å; R360-E399 IonicContact NH2-OE1 2.84Å; R360-E399 PolarHBondContact NH2-OE1 3.32Å; M390-E399 WeakPolarHBondContact CA-O 3.32Å; M390-E399 VanDerWaalsContact SD-C 3.5Å; M390-E399 VanDerWaalsContact SD-O 3.35Å; Q391-E399 PolarHBondContact N-O 3.4Å; Q391-E399 PolarHBondContact O-N 3.17Å; S393-E399 VanDerWaalsContact CB-CD 3.49Å; E399-I401 HydrophobicContact CB-CG1 4.32Å
400L92.3Very high85.6Confident0 Ų065.2 Ų65.20%031%0.311CS..EExtended strand (participates in β ladder)trans-86.9119.5168-177.264.6000108.3L358 F359 I379 F388 M390 V414 V416 V434L358-L400 PolarHBondContact N-O 2.9Å; F359-L400 HydrophobicContact CB-CB 3.95Å; F359-L400 HydrophobicContact CB-CD2 4.2Å; F359-L400 PolarHBondContact N-O 2.85Å; F359-L400 PolarHBondContact O-N 2.93Å; I379-L400 HydrophobicContact CD1-CD1 4.42Å; F388-L400 HydrophobicContact CB-CD1 3.79Å; F388-L400 HydrophobicContact CD1-CD1 4.43Å; F388-L400 HydrophobicContact CD1-CG 4.44Å; F388-L400 HydrophobicContact CG-CD1 4.45Å; M390-L400 HydrophobicContact SD-CB 4.23Å; L400-V414 HydrophobicContact CD1-CG1 4.45Å; L400-V416 HydrophobicContact CD1-CG1 3.83Å; L400-V416 HydrophobicContact CD2-CG2 4.45Å; L400-V434 HydrophobicContact CD2-CB 4.34Å; L400-V434 HydrophobicContact CD2-CG1 4.34Å; L400-V434 HydrophobicContact CD2-CG2 4.31Å
401I90.2Very high85.6Confident11 Ų1168.7 Ų68.76%0.05633%0.327CS..EExtended strand (participates in β ladder)trans-115.7127.9-174.9-53.7178.5000108.8F97 P355 A356 T357 F388 V389 Q391 E399 V403F97-I401 HydrophobicContact CD1-CD1 4.35Å; F97-I401 HydrophobicContact CE1-CD1 3.98Å; F97-I401 HydrophobicContact CE1-CG2 4.21Å; P355-I401 HydrophobicContact CB-CG2 3.96Å; A356-I401 CarbonylContact O-C 3.47Å; A356-I401 WeakPolarHBondContact O-CA 3.49Å; T357-I401 HydrophobicContact CG2-CD1 4.47Å; T357-I401 HydrophobicContact CG2-CG1 4.06Å; F388-I401 CarbonylContact C-O 3.57Å; F388-I401 WeakPolarHBondContact CA-O 3.47Å; V389-I401 PolarHBondContact N-O 3.33Å; V389-I401 PolarHBondContact O-N 3.18Å; Q391-I401 HydrophobicContact CB-CD1 3.96Å; E399-I401 HydrophobicContact CB-CG1 4.32Å; I401-V403 HydrophobicContact CG2-CG1 4.11Å
402L89.6Confident85.8Confident2 Ų266.5 Ų66.51%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-79.6117.7167.2-176.171.1000109L352 T354 P355 A356 L358 T387 F388 Q404 L406L352-L402 HydrophobicContact CD2-CD2 3.96Å; T354-L402 HydrophobicContact CG2-CD2 3.86Å; T354-L402 HydrophobicContact CG2-CG 3.94Å; P355-L402 VanDerWaalsContact CA-O 3.25Å; P355-L402 WeakPolarHBondContact CA-O 3.35Å; A356-L402 PolarHBondContact N-O 2.82Å; A356-L402 PolarHBondContact O-N 3Å; L358-L402 HydrophobicContact CD1-CB 3.81Å; L358-L402 HydrophobicContact CD2-CB 4.38Å; L358-L402 HydrophobicContact CG-CB 3.97Å; T387-L402 HydrophobicContact CG2-CD1 3.78Å; F388-L402 HydrophobicContact CD1-CD1 3.94Å; F388-L402 HydrophobicContact CE1-CD1 3.55Å; F388-L402 HydrophobicContact CZ-CD1 4.02Å; L402-Q404 VanDerWaalsContact CD1-O 3.31Å; L402-Q404 WeakPolarHBondContact CD1-O 3.25Å; L402-Q404 WeakPolarHBondContact CG-O 3.41Å; L402-L406 HydrophobicContact CD1-CD1 3.81Å; L402-L406 HydrophobicContact CD1-CD2 4.07Å; L402-L406 HydrophobicContact CD1-CG 3.78Å; L402-L406 HydrophobicContact CD2-CD1 4.11Å; L402-L406 HydrophobicContact CD2-CG 4.08Å
403V86.1Confident86.1Confident7 Ų763.7 Ų63.74%0.04232%0.315CS..  trans-107.3-13.3-177-69.20000113.3F97 V110 G386 T387 V389 I401F97-V403 HydrophobicContact CD1-CG1 4.42Å; F97-V403 HydrophobicContact CD2-CG1 4.03Å; F97-V403 HydrophobicContact CE1-CG1 4.34Å; F97-V403 HydrophobicContact CE2-CG1 3.93Å; F97-V403 HydrophobicContact CG-CG1 4.29Å; F97-V403 HydrophobicContact CZ-CG1 4.1Å; V110-V403 HydrophobicContact CG2-CB 3.79Å; V110-V403 HydrophobicContact CG2-CG1 4.15Å; G386-V403 WeakPolarHBondContact O-CG2 3.46Å; T387-V403 VanDerWaalsContact O-CG2 3.23Å; T387-V403 WeakPolarHBondContact O-CG2 3.03Å; T387-V403 PolarHBondContact O-N 2.88Å; V389-V403 HydrophobicContact CB-CG1 4.29Å; V389-V403 HydrophobicContact CG2-CB 4.5Å; V389-V403 HydrophobicContact CG2-CG1 3.84Å; V389-V403 HydrophobicContact CG2-CG2 3.84Å; I401-V403 HydrophobicContact CG2-CG1 4.11Å
404Q82.6Confident86.5Confident76 Ų7660.5 Ų60.536%0.35529%0.293SS..SBendtrans-125.9138.7177.2-65.9176.147.600109.9R385 G386 T387 L402R385-Q404 PolarHBondContact O-NE2 3.47Å; G386-Q404 PolarHBondContact O-NE2 2.95Å; T387-Q404 HydrophobicContact CG2-CB 4.33Å; L402-Q404 VanDerWaalsContact CD1-O 3.31Å; L402-Q404 WeakPolarHBondContact CD1-O 3.25Å; L402-Q404 WeakPolarHBondContact CG-O 3.41Å
405Q82.4Confident87.1Confident141 Ų14158.1 Ų58.166%0.65928%0.28SS*.PPolyproline II helixtrans-62.2139.5177.6-71.7180-16.700111.3T354T354-Q405 HydrophobicContact CG2-CG 4.07Å
406L84.2Confident87.8Confident15 Ų1548.1 Ų48.18%0.07924%0.242CC..PPolyproline II helixtrans-101.6124.1178.7-62.8179.7000109.6S350 T387 F388 L402 I412 V436 V438S350-L406 VanDerWaalsContact O-O 3.04Å; T387-L406 HydrophobicContact CG2-CD2 3.51Å; F388-L406 HydrophobicContact CZ-CD1 4.36Å; L402-L406 HydrophobicContact CD1-CD1 3.81Å; L402-L406 HydrophobicContact CD1-CD2 4.07Å; L402-L406 HydrophobicContact CD1-CG 3.78Å; L402-L406 HydrophobicContact CD2-CD1 4.11Å; L402-L406 HydrophobicContact CD2-CG 4.08Å; L406-I412 HydrophobicContact CD1-CD1 4.13Å; L406-I412 HydrophobicContact CD2-CD1 3.54Å; L406-I412 HydrophobicContact CG-CD1 4.43Å; L406-V436 HydrophobicContact CD1-CG1 3.97Å; L406-V438 HydrophobicContact CB-CG1 4.32Å; L406-V438 HydrophobicContact CB-CG2 3.92Å; L406-V438 HydrophobicContact CD1-CG2 3.69Å; L406-V438 HydrophobicContact CG-CG2 4.44Å
407R82.1Confident88.3Confident219 Ų21946.6 Ų46.683%0.82624%0.235SC*.PPolyproline II helixtrans-84.5125.2170.8-65.5-174.1-178.8178.8-0.2109.5Q410R407-Q410 VanDerWaalsContact O-CG 3.28Å; R407-Q410 WeakPolarHBondContact O-CG 3.43Å; R407-Q410 PolarHBondContact O-NE2 2.94Å
408G78.8Confident88.5Confident28 Ų2846.1 Ų46.129%0.28923%0.232SC..SBendtrans-82.9168.5174.300000112.9
409P86.6Confident88.6Confident105 Ų10546.6 Ų46.668%0.68224%0.235SC*.SBendcis-83.1127.8-11.631.9-31000111.1V438 P440P409-V438 WeakPolarHBondContact CA-O 3.36Å; P409-P440 HydrophobicContact CB-CB 4.24Å; P409-P440 HydrophobicContact CG-CB 4.43Å
410Q88Confident88.4Confident76 Ų7648 Ų4836%0.35524%0.242SC..EExtended strand (participates in β ladder)trans-152153.2175.463.9-178.6-13.100111.6R407 I412 V438R407-Q410 VanDerWaalsContact O-CG 3.28Å; R407-Q410 WeakPolarHBondContact O-CG 3.43Å; R407-Q410 PolarHBondContact O-NE2 2.94Å; Q410-I412 HydrophobicContact CG-CD1 4.29Å; Q410-I412 HydrophobicContact CG-CG1 4.34Å; Q410-V438 HydrophobicContact CG-CB 4.07Å; Q410-V438 HydrophobicContact CG-CG2 3.95Å; Q410-V438 PolarHBondContact N-O 2.81Å; Q410-V438 PolarHBondContact O-N 3.46Å
411E88.7Confident88.1Confident99 Ų9950.8 Ų50.846%0.46325%0.252SS..EExtended strand (participates in β ladder)trans-113.1130.2170.3175.1169.5-178.300109.8R299 H435 V436 L437R299-E411 IonicContact CZ-OE2 2.74Å; R299-E411 IonicContact NH1-OE2 3.65Å; R299-E411 IonicContact NH2-OE1 2.73Å; R299-E411 PolarHBondContact NH2-OE1 3.26Å; R299-E411 IonicContact NH2-OE2 3.94Å; R299-E411 PolarHBondContact NH2-OE2 2.92Å; E411-H435 IonicContact OE1-CG 2.76Å; E411-H435 IonicContact OE1-ND1 3.12Å; E411-H435 PolarHBondContact OE1-ND1 2.04Å; E411-H435 VanDerWaalsContact OE1-ND1 3.11Å; E411-V436 WeakPolarHBondContact CA-O 3.08Å; E411-L437 HydrophobicContact CB-CD2 4.32Å; E411-L437 HydrophobicContact CG-CD2 3.72Å
412I89.9Confident87.8Confident31 Ų3151.5 Ų51.516%0.15926%0.26CS..EExtended strand (participates in β ladder)trans-127.8125.5178.9-53.4170.9000108.6F388 L406 Q410 V414 V436F388-I412 HydrophobicContact CE2-CG2 3.8Å; F388-I412 HydrophobicContact CZ-CD1 4.44Å; F388-I412 HydrophobicContact CZ-CG2 4.16Å; L406-I412 HydrophobicContact CD1-CD1 4.13Å; L406-I412 HydrophobicContact CD2-CD1 3.54Å; L406-I412 HydrophobicContact CG-CD1 4.43Å; Q410-I412 HydrophobicContact CG-CD1 4.29Å; Q410-I412 HydrophobicContact CG-CG1 4.34Å; I412-V414 HydrophobicContact CG2-CG2 4.2Å; I412-V436 PolarHBondContact N-O 2.88Å; I412-V436 PolarHBondContact O-N 3.16Å
413S91.3Very high87.5Confident55 Ų5557.8 Ų57.839%0.38529%0.294SS..EExtended strand (participates in β ladder)trans-101.9127.7173.2610000110.6G382 V434G382-S413 WeakPolarHBondContact CA-O 3.08Å; S413-V434 CarbonylContact C-O 3.55Å; S413-V434 WeakPolarHBondContact CA-O 3.17Å
414V92.8Very high87.2Confident0 Ų068.9 Ų68.90%034%0.335CS..EExtended strand (participates in β ladder)trans-122.7126.1175.8-175.40000109.3I379 F388 L400 I412 V434I379-V414 HydrophobicContact CG2-CG1 3.72Å; F388-V414 HydrophobicContact CD1-CG2 4.36Å; F388-V414 HydrophobicContact CD2-CG2 3.42Å; F388-V414 VanDerWaalsContact CD2-CG2 3.42Å; F388-V414 HydrophobicContact CE1-CG2 4.36Å; F388-V414 HydrophobicContact CE2-CG2 3.44Å; F388-V414 VanDerWaalsContact CE2-CG2 3.44Å; F388-V414 HydrophobicContact CG-CG2 3.91Å; F388-V414 HydrophobicContact CZ-CG2 3.92Å; L400-V414 HydrophobicContact CD1-CG1 4.45Å; I412-V414 HydrophobicContact CG2-CG2 4.2Å; V414-V434 PolarHBondContact N-O 3Å; V414-V434 PolarHBondContact O-N 2.97Å
415D93.3Very high87.4Confident29 Ų2967.8 Ų67.816%0.15534%0.336CS..EExtended strand (participates in β ladder)trans-93.6107.4175.4-74.1-2.7000108.6I379 A380 G381 V431 R433I379-D415 CarbonylContact C-O 3.53Å; I379-D415 WeakPolarHBondContact CA-O 3.33Å; I379-D415 WeakPolarHBondContact CG2-O 3.4Å; A380-D415 HydrophobicContact CB-CB 4.17Å; A380-D415 PolarHBondContact N-O 2.87Å; G381-D415 PolarHBondContact O-N 3.37Å; D415-V431 HydrophobicContact CB-CG1 4.44Å; D415-R433 WeakPolarHBondContact OD1-CB 3.41Å; D415-R433 WeakPolarHBondContact OD1-CG 3.5Å; D415-R433 IonicContact OD1-CZ 3.82Å; D415-R433 IonicContact OD1-NE 3.48Å; D415-R433 PolarHBondContact OD1-NE 2.91Å; D415-R433 IonicContact OD1-NH2 3.24Å; D415-R433 IonicContact OD2-CZ 3.99Å; D415-R433 IonicContact OD2-NE 3.69Å; D415-R433 PolarHBondContact OD2-NE 2.03Å; D415-R433 IonicContact OD2-NH2 2.71Å; D415-R433 PolarHBondContact OD2-NH2 2.91Å
416V93.3Very high87.6Confident0 Ų063.9 Ų63.90%032%0.317CS..EExtended strand (participates in β ladder)trans-96.1137.9173.8-100.70000110.5F359 M361 I379 M390 L400 V431 A432 V434F359-V416 HydrophobicContact CD1-CG2 4.21Å; F359-V416 HydrophobicContact CE1-CG2 4.3Å; M361-V416 HydrophobicContact SD-CB 3.92Å; M361-V416 HydrophobicContact SD-CG2 4.06Å; I379-V416 HydrophobicContact CG1-CG1 4.09Å; M390-V416 HydrophobicContact CB-CG1 4.44Å; M390-V416 HydrophobicContact CE-CG1 4.47Å; M390-V416 HydrophobicContact CG-CG1 4.22Å; M390-V416 HydrophobicContact SD-CG1 3.63Å; L400-V416 HydrophobicContact CD1-CG1 3.83Å; L400-V416 HydrophobicContact CD2-CG2 4.45Å; V416-V431 CarbonylContact O-C 3.57Å; V416-V431 WeakPolarHBondContact O-CA 3.46Å; V416-A432 HydrophobicContact CG2-CB 4.11Å; V416-A432 VanDerWaalsContact CG2-O 3.29Å; V416-A432 WeakPolarHBondContact CG2-O 3.38Å; V416-A432 PolarHBondContact N-O 2.95Å; V416-A432 PolarHBondContact O-N 2.95Å; V416-V434 HydrophobicContact CG2-CG2 3.72Å
417E92.6Very high87.8Confident44 Ų4468 Ų6821%0.20634%0.336CS..EExtended strand (participates in β ladder)trans-120.2144.4-178.861172.4-134.100112.5F377 G378 A380 K429 H430 V431F377-E417 WeakPolarHBondContact CA-O 3.36Å; G378-E417 PolarHBondContact N-O 3.46Å; G378-E417 PolarHBondContact O-N 3.28Å; A380-E417 HydrophobicContact CB-CB 4.34Å; A380-E417 HydrophobicContact CB-CG 4.2Å; A380-E417 WeakPolarHBondContact CB-OE2 3.05Å; E417-K429 IonicContact OE1-NZ 3.57Å; E417-K429 WeakPolarHBondContact OE2-CE 3.05Å; E417-K429 IonicContact OE2-NZ 2.97Å; E417-K429 PolarHBondContact OE2-NZ 2.02Å; E417-H430 CarbonylContact C-O 3.59Å; E417-H430 VanDerWaalsContact CA-O 3.31Å; E417-H430 WeakPolarHBondContact CA-O 3.01Å; E417-V431 HydrophobicContact CB-CG2 4.3Å
418M92Very high88.1Confident10 Ų1058 Ų585%0.04930%0.3CS..EExtended strand (participates in β ladder)trans-126.4120.7172179.8-173.375.900108.9M361 T363 L375 R376 F377 K429 H430M361-M418 HydrophobicContact CE-CB 3.93Å; T363-M418 HydrophobicContact CG2-CE 3.55Å; T363-M418 HydrophobicContact CG2-SD 3.77Å; L375-M418 HydrophobicContact CD1-SD 4.24Å; R376-M418 CarbonylContact O-C 3.53Å; R376-M418 WeakPolarHBondContact O-CA 3.49Å; F377-M418 HydrophobicContact CD1-CB 4Å; F377-M418 HydrophobicContact CD1-CG 3.88Å; F377-M418 HydrophobicContact CE1-CB 4.08Å; F377-M418 HydrophobicContact CE1-CG 3.54Å; F377-M418 HydrophobicContact CE1-SD 3.71Å; F377-M418 HydrophobicContact CZ-CG 4.3Å; F377-M418 HydrophobicContact CZ-SD 4.32Å; M418-K429 CarbonylContact O-C 3.56Å; M418-K429 WeakPolarHBondContact O-CA 3.33Å; M418-H430 HydrophobicContact CB-CB 4.44Å; M418-H430 HydrophobicContact CE-CB 4.08Å; M418-H430 VanDerWaalsContact CE-CD2 3.46Å; M418-H430 WeakPolarHBondContact CE-CD2 3.06Å; M418-H430 PolarHBondContact N-O 2.54Å; M418-H430 PolarHBondContact O-N 3.33Å
419S90.8Very high88.7Confident10 Ų1058.9 Ų58.97%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-109.5130.6176.3-61.10000110.8L375 R376 A428L375-S419 WeakPolarHBondContact CA-O 3.23Å; R376-S419 PolarHBondContact N-O 3.09Å; R376-S419 PolarHBondContact O-N 2.91Å; S419-A428 WeakPolarHBondContact CA-O 3.4Å
420E89.3Confident89.1Confident51 Ų5155.4 Ų55.424%0.23827%0.27CS..EExtended strand (participates in β ladder)trans-99.4134.3-177.9-170.4179.1-173.500110.8P372 L375 Q427 A428P372-E420 HydrophobicContact CB-CG 3.42Å; P372-E420 VanDerWaalsContact CB-CG 3.42Å; P372-E420 VanDerWaalsContact CB-OE1 3.29Å; P372-E420 WeakPolarHBondContact CB-OE1 3.36Å; P372-E420 HydrophobicContact CG-CG 3.88Å; P372-E420 WeakPolarHBondContact CG-OE1 3.28Å; L375-E420 HydrophobicContact CD2-CB 4.19Å; L375-E420 HydrophobicContact CD2-CG 4.09Å; E420-Q427 HydrophobicContact CB-CB 4.29Å; E420-Q427 HydrophobicContact CG-CB 4.23Å; E420-Q427 PolarHBondContact O-N 3.21Å; E420-A428 PolarHBondContact N-O 2.74Å
421Y85.8Confident89.4Confident57 Ų5752.3 Ų52.322%0.22426%0.256CS..EExtended strand (participates in β ladder)trans-129.6136.8176.5-62.2-98.6000111S374 R376 S425 F426S374-Y421 PolarHBondContact N-O 2.78Å; S374-Y421 PolarHBondContact O-N 3.25Å; R376-Y421 HydrophobicContact CB-CE2 4.12Å; R376-Y421 HydrophobicContact CG-CD2 4.14Å; R376-Y421 HydrophobicContact CG-CE2 3.7Å; Y421-S425 VanDerWaalsContact CA-O 3.24Å; Y421-S425 WeakPolarHBondContact CA-O 3.02Å; Y421-F426 HydrophobicContact CD1-CB 4.25Å; Y421-F426 HydrophobicContact CE1-CB 3.94Å; Y421-F426 HydrophobicContact CE1-CD2 4.27Å
422A84.4Confident89.7Confident27 Ų2747.6 Ų47.622%0.22323%0.234CC..EExtended strand (participates in β ladder)trans-128.3132.1170.900000108.4R424 S425 Q427A422-R424 PolarHBondContact O-N 3.35Å; A422-R424 VanDerWaalsContact O-N 3.14Å; A422-S425 PolarHBondContact N-O 2.99Å; A422-S425 WeakPolarHBondContact O-CB 3.43Å; A422-S425 PolarHBondContact O-N 2.71Å; A422-S425 PolarHBondContact O-OG 3.39Å; A422-Q427 HydrophobicContact CB-CG 3.69Å
423D83.4Confident89.9Confident133 Ų13349.8 Ų49.871%0.71124%0.241SC*.THydrogen-bonded Turntrans5237.9-177.2-60.2-47.9000113.1E373 S425E373-D423 PolarHBondContact OE2-N 2.84Å; D423-S425 PolarHBondContact O-N 3.37Å
424R80Confident90.1Very high240 Ų24047.2 Ų47.291%0.90622%0.222SC*.THydrogen-bonded Turntrans61.65.6-174.2-51.2-178.9176.5-161.9-1.3115.5A422A422-R424 PolarHBondContact O-N 3.35Å; A422-R424 VanDerWaalsContact O-N 3.14Å
425S84.9Confident90.1Very high53 Ų5348.5 Ų48.537%0.37123%0.228SC..EExtended strand (participates in β ladder)trans-93.4139.5173.970.80000110.8Y421 A422 D423 Q427Y421-S425 VanDerWaalsContact CA-O 3.24Å; Y421-S425 WeakPolarHBondContact CA-O 3.02Å; A422-S425 PolarHBondContact N-O 2.99Å; A422-S425 WeakPolarHBondContact O-CB 3.43Å; A422-S425 PolarHBondContact O-N 2.71Å; A422-S425 PolarHBondContact O-OG 3.39Å; D423-S425 PolarHBondContact O-N 3.37Å; S425-Q427 PolarHBondContact O-N 3.08Å; S425-Q427 PolarHBondContact OG-NE2 2.04Å
426F87.7Confident90.1Very high59 Ų5947.1 Ų47.126%0.25922%0.221SC..EExtended strand (participates in β ladder)trans-68.6129175.9171.6-91.5000109.9H335 L336 Y421 A428 K429H335-F426 WeakPolarHBondContact O-CE1 3.24Å; L336-F426 HydrophobicContact CD2-CD1 4.16Å; L336-F426 HydrophobicContact CD2-CE1 4.19Å; Y421-F426 HydrophobicContact CD1-CB 4.25Å; Y421-F426 HydrophobicContact CE1-CB 3.94Å; Y421-F426 HydrophobicContact CE1-CD2 4.27Å; F426-A428 WeakPolarHBondContact CE2-O 3.42Å; F426-K429 HydrophobicContact CE2-CB 3.94Å; F426-K429 HydrophobicContact CZ-CB 3.67Å
427Q88.3Confident90Very high103 Ų10347.4 Ų47.448%0.48122%0.222SC..EExtended strand (participates in β ladder)trans-104.7-56.5-178.3-64.4-61.2-45.100111.4E420 A422 S425E420-Q427 HydrophobicContact CB-CB 4.29Å; E420-Q427 HydrophobicContact CG-CB 4.23Å; E420-Q427 PolarHBondContact O-N 3.21Å; A422-Q427 HydrophobicContact CB-CG 3.69Å; S425-Q427 PolarHBondContact O-N 3.08Å; S425-Q427 PolarHBondContact OG-NE2 2.04Å
428A89.3Confident89.9Confident8 Ų845.7 Ų45.77%0.06622%0.215CC..EExtended strand (participates in β ladder)trans-154.3158.3-176.100000111.5K339 S419 E420 F426K339-A428 HydrophobicContact CB-CB 4.37Å; K339-A428 HydrophobicContact CD-CB 4.06Å; S419-A428 WeakPolarHBondContact CA-O 3.4Å; E420-A428 PolarHBondContact N-O 2.74Å; F426-A428 WeakPolarHBondContact CE2-O 3.42Å
429K91.5Very high89.7Confident47 Ų4745.6 Ų45.620%0.20422%0.215CC..EExtended strand (participates in β ladder)trans-123.5137.5171.9179.2172.4-176.71690109.2P338 K339 E417 M418 F426P338-K429 CarbonylContact C-O 3.59Å; P338-K429 WeakPolarHBondContact CA-O 3.24Å; K339-K429 PolarHBondContact N-O 3.24Å; E417-K429 IonicContact OE1-NZ 3.57Å; E417-K429 WeakPolarHBondContact OE2-CE 3.05Å; E417-K429 IonicContact OE2-NZ 2.97Å; E417-K429 PolarHBondContact OE2-NZ 2.02Å; M418-K429 CarbonylContact O-C 3.56Å; M418-K429 WeakPolarHBondContact O-CA 3.33Å; F426-K429 HydrophobicContact CE2-CB 3.94Å; F426-K429 HydrophobicContact CZ-CB 3.67Å
430H93.2Very high89.4Confident32 Ų3248.5 Ų48.515%0.14823%0.234CC..EExtended strand (participates in β ladder)trans-124.6138178.6-56.3-89.1000108.3T340 E417 M418T340-H430 PolarHBondContact OG1-ND1 2.83Å; E417-H430 CarbonylContact C-O 3.59Å; E417-H430 VanDerWaalsContact CA-O 3.31Å; E417-H430 WeakPolarHBondContact CA-O 3.01Å; M418-H430 HydrophobicContact CB-CB 4.44Å; M418-H430 HydrophobicContact CE-CB 4.08Å; M418-H430 VanDerWaalsContact CE-CD2 3.46Å; M418-H430 WeakPolarHBondContact CE-CD2 3.06Å; M418-H430 PolarHBondContact N-O 2.54Å; M418-H430 PolarHBondContact O-N 3.33Å
431V94.6Very high89.1Confident10 Ų1049.2 Ų49.26%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-122.1135.1178.2175.70000109.3P338 T340 M341 S342 D415 V416 E417P338-V431 HydrophobicContact CB-CB 4.37Å; P338-V431 HydrophobicContact CB-CG2 3.87Å; P338-V431 HydrophobicContact CG-CB 4.43Å; P338-V431 HydrophobicContact CG-CG2 3.59Å; T340-V431 PolarHBondContact O-N 2.96Å; M341-V431 CarbonylContact C-O 3.59Å; M341-V431 VanDerWaalsContact CA-O 3.25Å; M341-V431 WeakPolarHBondContact CA-O 3.31Å; M341-V431 HydrophobicContact CG-CB 4.35Å; S342-V431 PolarHBondContact N-O 2.86Å; D415-V431 HydrophobicContact CB-CG1 4.44Å; V416-V431 CarbonylContact O-C 3.57Å; V416-V431 WeakPolarHBondContact O-CA 3.46Å; E417-V431 HydrophobicContact CB-CG2 4.3Å
432A95.2Very high88.8Confident0 Ų048.8 Ų48.80%024%0.24CC..EExtended strand (participates in β ladder)trans-117.4119.7168.400000108S342 F359 M361 V416S342-A432 CarbonylContact O-C 3.59Å; S342-A432 WeakPolarHBondContact O-CA 3.39Å; F359-A432 HydrophobicContact CE1-CB 3.68Å; F359-A432 HydrophobicContact CZ-CB 3.89Å; M361-A432 HydrophobicContact CE-CB 3.84Å; M361-A432 HydrophobicContact SD-CB 3.99Å; V416-A432 HydrophobicContact CG2-CB 4.11Å; V416-A432 VanDerWaalsContact CG2-O 3.29Å; V416-A432 WeakPolarHBondContact CG2-O 3.38Å; V416-A432 PolarHBondContact N-O 2.95Å; V416-A432 PolarHBondContact O-N 2.95Å
433R94.9Very high88.3Confident78 Ų7851.4 Ų51.429%0.29425%0.247SC..EExtended strand (participates in β ladder)trans-90.9109.2171.9177.8164.3-66.4159.22.3108S342 F343 H344 D415 H435S342-R433 PolarHBondContact O-N 3.29Å; F343-R433 WeakPolarHBondContact CA-O 3.01Å; F343-R433 HydrophobicContact CD1-CB 4.03Å; F343-R433 HydrophobicContact CD1-CG 4.29Å; F343-R433 HydrophobicContact CE1-CB 4.42Å; H344-R433 PolarHBondContact N-O 2.83Å; D415-R433 WeakPolarHBondContact OD1-CB 3.41Å; D415-R433 WeakPolarHBondContact OD1-CG 3.5Å; D415-R433 IonicContact OD1-CZ 3.82Å; D415-R433 IonicContact OD1-NE 3.48Å; D415-R433 PolarHBondContact OD1-NE 2.91Å; D415-R433 IonicContact OD1-NH2 3.24Å; D415-R433 IonicContact OD2-CZ 3.99Å; D415-R433 IonicContact OD2-NE 3.69Å; D415-R433 PolarHBondContact OD2-NE 2.03Å; D415-R433 IonicContact OD2-NH2 2.71Å; D415-R433 PolarHBondContact OD2-NH2 2.91Å; R433-H435 WeakPolarHBondContact CG-NE2 3.01Å
434V94.9Very high88.5Confident0 Ų047.4 Ų47.40%022%0.223CC..EExtended strand (participates in β ladder)trans-102.5112.5-177.3-174.80000108.6H344 L346 F359 L400 S413 V414 V416 V436H344-V434 HydrophobicContact CB-CG2 4.4Å; L346-V434 HydrophobicContact CD1-CG1 3.52Å; L346-V434 HydrophobicContact CG-CG1 4Å; F359-V434 HydrophobicContact CB-CG2 4.49Å; F359-V434 HydrophobicContact CD1-CG2 3.87Å; F359-V434 HydrophobicContact CD2-CG2 4.36Å; F359-V434 HydrophobicContact CE1-CG2 4.07Å; F359-V434 HydrophobicContact CG-CG2 4Å; F359-V434 HydrophobicContact CZ-CG2 4.46Å; L400-V434 HydrophobicContact CD2-CB 4.34Å; L400-V434 HydrophobicContact CD2-CG1 4.34Å; L400-V434 HydrophobicContact CD2-CG2 4.31Å; S413-V434 CarbonylContact C-O 3.55Å; S413-V434 WeakPolarHBondContact CA-O 3.17Å; V414-V434 PolarHBondContact N-O 3Å; V414-V434 PolarHBondContact O-N 2.97Å; V416-V434 HydrophobicContact CG2-CG2 3.72Å; V434-V436 HydrophobicContact CG1-CG2 4.22Å
435H93.5Very high89Confident27 Ų2737.2 Ų37.213%0.12519%0.187CC..EExtended strand (participates in β ladder)trans-90.2115.1172.1-67.6-98.1000108.8H344 Y345 L346 E411 R433 L437H344-H435 PolarHBondContact O-N 3.32Å; Y345-H435 CarbonylContact C-O 3.56Å; Y345-H435 WeakPolarHBondContact CA-O 3.43Å; Y345-H435 HydrophobicContact CD1-CB 3.47Å; Y345-H435 VanDerWaalsContact CD1-CB 3.47Å; Y345-H435 AromaticContact CD1-CG 3.81Å; Y345-H435 HydrophobicContact CE1-CB 3.82Å; Y345-H435 AromaticContact CE1-CD2 3.61Å; Y345-H435 AromaticContact CE1-CG 3.59Å; Y345-H435 HydrophobicContact CG-CB 4.23Å; Y345-H435 AromaticContact CZ-CD2 3.92Å; L346-H435 PolarHBondContact N-O 3.04Å; E411-H435 IonicContact OE1-CG 2.76Å; E411-H435 IonicContact OE1-ND1 3.12Å; E411-H435 PolarHBondContact OE1-ND1 2.04Å; E411-H435 VanDerWaalsContact OE1-ND1 3.11Å; R433-H435 WeakPolarHBondContact CG-NE2 3.01Å; H435-L437 HydrophobicContact CB-CD2 4.21Å
436V92.4Very high89.2Confident0 Ų036.3 Ų36.30%018%0.177CC..EExtended strand (participates in β ladder)trans-99.6120.2176.4179.70000108.8L348 L358 F388 L406 E411 I412 V434 V438L348-V436 HydrophobicContact CD1-CG1 3.39Å; L348-V436 HydrophobicContact CG-CG1 4.06Å; L358-V436 HydrophobicContact CD1-CG2 4.27Å; F388-V436 HydrophobicContact CE1-CG2 4.19Å; F388-V436 HydrophobicContact CZ-CG2 4.34Å; L406-V436 HydrophobicContact CD1-CG1 3.97Å; E411-V436 WeakPolarHBondContact CA-O 3.08Å; I412-V436 PolarHBondContact N-O 2.88Å; I412-V436 PolarHBondContact O-N 3.16Å; V434-V436 HydrophobicContact CG1-CG2 4.22Å; V436-V438 HydrophobicContact CG1-CG2 4.15Å
437L92Very high89.3Confident6 Ų635 Ų353%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-111.1103.6-173.3-43.3-177.3000107.4I292 T294 R299 L346 S347 L348 E411 H435I292-L437 HydrophobicContact CG2-CD1 4.42Å; T294-L437 HydrophobicContact CG2-CD1 3.51Å; R299-L437 VanDerWaalsContact CZ-CD1 3.49Å; R299-L437 VanDerWaalsContact CZ-CD2 3.46Å; L346-L437 PolarHBondContact O-N 3.13Å; S347-L437 WeakPolarHBondContact CA-O 3.15Å; L348-L437 PolarHBondContact N-O 2.88Å; E411-L437 HydrophobicContact CB-CD2 4.32Å; E411-L437 HydrophobicContact CG-CD2 3.72Å; H435-L437 HydrophobicContact CB-CD2 4.21Å
438V90.6Very high89.4Confident8 Ų830.8 Ų30.85%0.04815%0.153CC..EExtended strand (participates in β ladder)trans-92.1116.3-175.9-170.30000108.8L348 L406 P409 Q410 V436L348-V438 CarbonylContact O-C 3.38Å; L348-V438 WeakPolarHBondContact O-CA 3.06Å; L406-V438 HydrophobicContact CB-CG1 4.32Å; L406-V438 HydrophobicContact CB-CG2 3.92Å; L406-V438 HydrophobicContact CD1-CG2 3.69Å; L406-V438 HydrophobicContact CG-CG2 4.44Å; P409-V438 WeakPolarHBondContact CA-O 3.36Å; Q410-V438 HydrophobicContact CG-CB 4.07Å; Q410-V438 HydrophobicContact CG-CG2 3.95Å; Q410-V438 PolarHBondContact N-O 2.81Å; Q410-V438 PolarHBondContact O-N 3.46Å; V436-V438 HydrophobicContact CG1-CG2 4.15Å
439S87.2Confident89.4Confident9 Ų932.3 Ų32.36%0.06316%0.159CC..  trans-63147.8174.8175.50000111L348 S350 Y441L348-S439 PolarHBondContact O-N 2.89Å; S350-S439 WeakPolarHBondContact CB-O 3.4Å; S439-Y441 PolarHBondContact O-N 3.49Å; S439-Y441 PolarHBondContact OG-N 3.27Å; S439-Y441 VanDerWaalsContact OG-N 3.11Å
440P84.6Confident89.2Confident70 Ų7031.2 Ų31.246%0.45516%0.156SC..SBendtrans-66.9-20169.529.2-35.4000112.6P409P409-P440 HydrophobicContact CB-CB 4.24Å; P409-P440 HydrophobicContact CG-CB 4.43Å
441Y83.9Confident88.9Confident67 Ų6731.2 Ų31.226%0.26316%0.156SC..SBendtrans-88.8156.3-178.2-54.9-65.6000111.8H246 P260 Y263 S350 S439 F443H246-Y441 AromaticContact CE1-CE1 3.87Å; P260-Y441 HydrophobicContact CB-CE1 3.77Å; P260-Y441 HydrophobicContact CB-CE2 4.06Å; P260-Y441 VanDerWaalsContact CB-CZ 3.45Å; P260-Y441 WeakPolarHBondContact CB-OH 3.39Å; P260-Y441 HydrophobicContact CG-CD1 4.17Å; P260-Y441 HydrophobicContact CG-CD2 4.34Å; P260-Y441 HydrophobicContact CG-CE1 3.8Å; P260-Y441 HydrophobicContact CG-CE2 3.99Å; P260-Y441 HydrophobicContact CG-CG 4.44Å; Y263-Y441 AromaticContact CE2-CD2 3.72Å; Y263-Y441 HydrophobicContact CE2-CD2 3.72Å; Y263-Y441 AromaticContact CE2-CE2 3.87Å; Y263-Y441 HydrophobicContact CE2-CE2 3.87Å; S350-Y441 WeakPolarHBondContact CB-O 3.26Å; S350-Y441 PolarHBondContact N-O 2.98Å; S350-Y441 PolarHBondContact OG-O 3.12Å; S439-Y441 PolarHBondContact O-N 3.49Å; S439-Y441 PolarHBondContact OG-N 3.27Å; S439-Y441 VanDerWaalsContact OG-N 3.11Å; Y441-F443 HydrophobicContact CD1-CE1 4.14Å; Y441-F443 HydrophobicContact CD1-CZ 4.36Å; Y441-F443 HydrophobicContact CG-CE1 4.11Å; Y441-F443 HydrophobicContact CG-CZ 4.12Å
442S78.7Confident88.5Confident47 Ų4732.9 Ų32.933%0.32916%0.164SC..  trans-983.6-17665.50000113.7S350 T351S350-S442 WeakPolarHBondContact OG-CA 3.42Å; S350-S442 PolarHBondContact OG-N 2.85Å; T351-S442 WeakPolarHBondContact OG1-CA 3.45Å; T351-S442 WeakPolarHBondContact OG1-CB 3.36Å; T351-S442 PolarHBondContact OG1-O 2.95Å
443F73.8Confident87.8Confident83 Ų8335.9 Ų35.936%0.36418%0.179SC..  trans-123.10-171.657.4-97.8000111.6V245 H246 P260 Y263 C272 Y441V245-F443 HydrophobicContact CG1-CB 3.47Å; V245-F443 VanDerWaalsContact CG1-CB 3.47Å; V245-F443 HydrophobicContact CG1-CD1 3.63Å; V245-F443 HydrophobicContact CG1-CD2 3.64Å; V245-F443 HydrophobicContact CG1-CE1 4.24Å; V245-F443 HydrophobicContact CG1-CE2 4.25Å; V245-F443 HydrophobicContact CG1-CG 3.29Å; H246-F443 HydrophobicContact CB-CE1 3.8Å; H246-F443 HydrophobicContact CB-CZ 4.01Å; H246-F443 AromaticContact CG-CE1 3.99Å; H246-F443 AromaticContact ND1-CE1 3.72Å; P260-F443 HydrophobicContact CG-CZ 3.72Å; Y263-F443 AromaticContact CD1-CE2 3.85Å; Y263-F443 HydrophobicContact CD1-CE2 3.85Å; Y263-F443 HydrophobicContact CE1-CD2 4.39Å; Y263-F443 AromaticContact CE1-CE2 3.72Å; Y263-F443 HydrophobicContact CE1-CE2 3.72Å; Y263-F443 HydrophobicContact CG-CE2 4.4Å; C272-F443 HydrophobicContact CB-CD2 4.33Å; C272-F443 HydrophobicContact CB-CE2 3.72Å; C272-F443 HydrophobicContact CB-CZ 4.31Å; Y441-F443 HydrophobicContact CD1-CE1 4.14Å; Y441-F443 HydrophobicContact CD1-CZ 4.36Å; Y441-F443 HydrophobicContact CG-CE1 4.11Å; Y441-F443 HydrophobicContact CG-CZ 4.12Å

Retrieved 443 of 443 residues in 358.4 ms (Link to these results)