A0A087YSC5_POEFO Loading...

Noggin

AlphaFold DB , UniProt , Accession A0A087YSC5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 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
1M52.3Low71.5Confident207 Ų207105.5 Ų105.5100%1.0259%0.593SS**  036.40-91-168.6129.300110.1
2D58.5Low72.7Confident107 Ų107106.8 Ų106.857%0.57260%0.596SS**  trans-109-13.4-154.8-50.2-71.9000114.1Q6D2-Q6 PolarHBondContact O-N 3.09Å
3Q58Low73.8Confident147 Ų147107.5 Ų107.569%0.68760%0.598SS**Hα-helixtrans-61.4-43.5178.6-153.579.416.800114.9C7Q3-C7 PolarHBondContact O-N 3.5Å
4P64.9Low74.5Confident91 Ų91108.9 Ų108.959%0.59160%0.6SS**Hα-helixtrans-74.3-29.2-176.428.2-32.4000112.5A8P4-A8 PolarHBondContact O-N 3.49Å; P4-A8 VanDerWaalsContact O-N 3.13Å
5Q68.8Low75Confident138 Ų138109.1 Ų109.165%0.64560%0.598SS**Hα-helixtrans-72.5-38.1178-72.8-177.8-37.600112A8 A9Q5-A8 PolarHBondContact O-N 3.42Å; Q5-A9 WeakPolarHBondContact O-CB 3.48Å; Q5-A9 PolarHBondContact O-N 3.48Å
6Q72.1Confident75.4Confident126 Ų126105.4 Ų105.459%0.58958%0.583SS**Hα-helixtrans-65.1-42173.9-78.2-179.3-24.100112.2D2 A9 V10D2-Q6 PolarHBondContact O-N 3.09Å; Q6-A9 PolarHBondContact O-N 3.1Å; Q6-V10 WeakPolarHBondContact O-CG2 3.44Å; Q6-V10 PolarHBondContact O-N 3.36Å
7C76.9Confident75.6Confident80 Ų80104.9 Ų104.954%0.54158%0.579SS.*Hα-helixtrans-61.3-45.1175.2-89.40000112.3Q3 A9 V10 C11Q3-C7 PolarHBondContact O-N 3.5Å; C7-A9 VanDerWaalsContact C-N 3.35Å; C7-A9 PolarHBondContact O-N 2.89Å; C7-V10 PolarHBondContact O-N 2.91Å; C7-C11 PolarHBondContact O-N 3.05Å; C7-C11 PolarHBondContact O-SG 3.02Å; C7-C11 VanDerWaalsContact O-SG 3.34Å
8A81.1Confident75.5Confident52 Ų52101.3 Ų101.343%0.4357%0.569SS.*Hα-helixtrans-62.5-41.2178.200000112.3P4 Q5 C11 L12P4-A8 PolarHBondContact O-N 3.49Å; P4-A8 VanDerWaalsContact O-N 3.13Å; Q5-A8 PolarHBondContact O-N 3.42Å; A8-C11 PolarHBondContact O-N 2.73Å; A8-L12 WeakPolarHBondContact O-CB 3.44Å; A8-L12 VanDerWaalsContact O-CG 3.31Å; A8-L12 WeakPolarHBondContact O-CG 3.41Å; A8-L12 PolarHBondContact O-N 2.98Å
9A83.4Confident75.3Confident50 Ų50102.2 Ų102.241%0.41357%0.572SS.*Hα-helixtrans-63.9-40.7177.500000112.4Q5 Q6 C7 L12 L13Q5-A9 WeakPolarHBondContact O-CB 3.48Å; Q5-A9 PolarHBondContact O-N 3.48Å; Q6-A9 PolarHBondContact O-N 3.1Å; C7-A9 VanDerWaalsContact C-N 3.35Å; C7-A9 PolarHBondContact O-N 2.89Å; A9-L12 PolarHBondContact O-N 3.46Å; A9-L13 WeakPolarHBondContact O-CB 3.5Å; A9-L13 PolarHBondContact O-N 3.12Å
10V85.6Confident74.9Confident87 Ų87102.9 Ų102.953%0.52757%0.574SS.*Hα-helixtrans-66.5-43.5176.2173.40000110.9Q6 C7 L12 L13 M14Q6-V10 WeakPolarHBondContact O-CG2 3.44Å; Q6-V10 PolarHBondContact O-N 3.36Å; C7-V10 PolarHBondContact O-N 2.91Å; V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 3.3Å; V10-L13 PolarHBondContact O-N 2.9Å; V10-M14 HydrophobicContact CG1-CG 4.41Å; V10-M14 VanDerWaalsContact O-CG 3.32Å; V10-M14 WeakPolarHBondContact O-CG 3.31Å; V10-M14 PolarHBondContact O-N 3.48Å
11C84.5Confident74.4Confident76 Ų76103.5 Ų103.551%0.51457%0.573SS.*Hα-helixtrans-61.1-41.6175.9-69.70000112.2C7 A8 M14 L15C7-C11 PolarHBondContact O-N 3.05Å; C7-C11 PolarHBondContact O-SG 3.02Å; C7-C11 VanDerWaalsContact O-SG 3.34Å; A8-C11 PolarHBondContact O-N 2.73Å; C11-M14 PolarHBondContact O-N 2.74Å; C11-L15 WeakPolarHBondContact O-CB 3.47Å; C11-L15 VanDerWaalsContact O-CG 3.28Å; C11-L15 WeakPolarHBondContact O-CG 2.96Å; C11-L15 PolarHBondContact O-N 2.94Å
12L86.1Confident74.7Confident120 Ų12099.4 Ų99.463%0.62856%0.556SS**Hα-helixtrans-66.2-38.5177-73.4170.2000112.5A8 A9 V10 L15 S16A8-L12 WeakPolarHBondContact O-CB 3.44Å; A8-L12 VanDerWaalsContact O-CG 3.31Å; A8-L12 WeakPolarHBondContact O-CG 3.41Å; A8-L12 PolarHBondContact O-N 2.98Å; A9-L12 PolarHBondContact O-N 3.46Å; V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 3.3Å; L12-L15 PolarHBondContact O-N 2.92Å; L12-S16 WeakPolarHBondContact O-CB 3.35Å; L12-S16 PolarHBondContact O-N 3.36Å; L12-S16 PolarHBondContact O-OG 3.23Å
13L86.7Confident74.6Confident117 Ų117105.2 Ų105.261%0.61357%0.57SS**Hα-helixtrans-64.5-42.3173.6-91.6165.2000112.1A9 V10 S16 L17A9-L13 WeakPolarHBondContact O-CB 3.5Å; A9-L13 PolarHBondContact O-N 3.12Å; V10-L13 PolarHBondContact O-N 2.9Å; L13-S16 PolarHBondContact O-N 3.36Å; L13-S16 PolarHBondContact O-OG 3.28Å; L13-L17 WeakPolarHBondContact O-CB 3.13Å; L13-L17 PolarHBondContact O-N 2.94Å
14M83.4Confident74.5Confident127 Ų127101.7 Ų101.763%0.62657%0.566SS**Hα-helixtrans-68.4-37.7177.9-66.8-57.4-68.900111.9V10 C11 G18V10-M14 HydrophobicContact CG1-CG 4.41Å; V10-M14 VanDerWaalsContact O-CG 3.32Å; V10-M14 WeakPolarHBondContact O-CG 3.31Å; V10-M14 PolarHBondContact O-N 3.48Å; C11-M14 PolarHBondContact O-N 2.74Å; M14-G18 PolarHBondContact O-N 3.44Å
15L83.2Confident74Confident111 Ų111103.5 Ų103.558%0.58157%0.569SS**Hα-helixtrans-66.1-42.5174.4-75.6165.4000111.8C11 L12 G18 L19C11-L15 WeakPolarHBondContact O-CB 3.47Å; C11-L15 VanDerWaalsContact O-CG 3.28Å; C11-L15 WeakPolarHBondContact O-CG 2.96Å; C11-L15 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 2.92Å; L15-G18 PolarHBondContact O-N 2.89Å; L15-L19 WeakPolarHBondContact O-CB 3.34Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 2.71Å
16S80.5Confident73.3Confident51 Ų51102.7 Ų102.736%0.35758%0.577SS.*Hα-helixtrans-67.9-37.7177.868.40000112L12 L13 L19 L20L12-S16 WeakPolarHBondContact O-CB 3.35Å; L12-S16 PolarHBondContact O-N 3.36Å; L12-S16 PolarHBondContact O-OG 3.23Å; L13-S16 PolarHBondContact O-N 3.36Å; L13-S16 PolarHBondContact O-OG 3.28Å; S16-L19 PolarHBondContact O-N 3.32Å; S16-L20 WeakPolarHBondContact O-CB 3.49Å; S16-L20 WeakPolarHBondContact O-CD1 3.34Å; S16-L20 WeakPolarHBondContact O-CG 3.32Å; S16-L20 PolarHBondContact O-N 2.88Å
17L79Confident72.8Confident97 Ų97105.1 Ų105.151%0.50859%0.588SS.*Hα-helixtrans-66.7-41.2174.7-153.376.5000111.5L13 L20 M21L13-L17 WeakPolarHBondContact O-CB 3.13Å; L13-L17 PolarHBondContact O-N 2.94Å; L17-L20 PolarHBondContact O-N 3.35Å; L17-M21 WeakPolarHBondContact O-CG 3.5Å; L17-M21 PolarHBondContact O-N 2.88Å
18G74.1Confident72Confident39 Ų39109 Ų10940%0.40260%0.599SS.*Hα-helixtrans-61.4-44173.800000112.8M14 L15 L20 M21 D22M14-G18 PolarHBondContact O-N 3.44Å; L15-G18 PolarHBondContact O-N 2.89Å; G18-L20 VanDerWaalsContact C-N 3.35Å; G18-L20 PolarHBondContact O-N 3.26Å; G18-M21 PolarHBondContact O-N 3.39Å; G18-D22 PolarHBondContact O-N 3.38Å
19L72Confident71.4Confident118 Ų118115.4 Ų115.462%0.61862%0.617SS**Hα-helixtrans-66.8-33.3176-71.6167.2000112.9L15 S16 R23L15-L19 WeakPolarHBondContact O-CB 3.34Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 2.71Å; S16-L19 PolarHBondContact O-N 3.32Å; L19-R23 PolarHBondContact O-N 3.31Å
20L67.3Low71.1Confident117 Ų117119.7 Ų119.761%0.61363%0.627SS**Hα-helixtrans-70.1-39.9174.2-82.9161000111.9S16 L17 G18 R23 A24S16-L20 WeakPolarHBondContact O-CB 3.49Å; S16-L20 WeakPolarHBondContact O-CD1 3.34Å; S16-L20 WeakPolarHBondContact O-CG 3.32Å; S16-L20 PolarHBondContact O-N 2.88Å; L17-L20 PolarHBondContact O-N 3.35Å; G18-L20 VanDerWaalsContact C-N 3.35Å; G18-L20 PolarHBondContact O-N 3.26Å; L20-R23 PolarHBondContact O-N 3.29Å; L20-A24 PolarHBondContact O-N 3.19Å
21M62.9Low70.9Confident115 Ų115121.7 Ų121.757%0.56763%0.634SS**Hα-helixtrans-69.5-37.6176.6-71.7-176.971.400112.3L17 G18 R23 A24 I25L17-M21 WeakPolarHBondContact O-CG 3.5Å; L17-M21 PolarHBondContact O-N 2.88Å; G18-M21 PolarHBondContact O-N 3.39Å; M21-R23 PolarHBondContact O-N 3.34Å; M21-A24 WeakPolarHBondContact O-CB 3.47Å; M21-A24 PolarHBondContact O-N 3.05Å; M21-I25 WeakPolarHBondContact O-CD1 3.47Å; M21-I25 WeakPolarHBondContact O-CG1 3.46Å; M21-I25 PolarHBondContact O-N 3Å
22D58.5Low71.2Confident121 Ų121125.5 Ų125.565%0.64765%0.648SS**Hα-helixtrans-59.8-36.6175.6-166.345.8000111.7G18 A24G18-D22 PolarHBondContact O-N 3.38Å; D22-A24 VanDerWaalsContact C-N 3.27Å; D22-A24 PolarHBondContact O-N 3.35Å
23R57.4Low71.3Confident230 Ų230130 Ų13087%0.86866%0.657SS**THydrogen-bonded Turntrans-70.4-17.4173-74.8-167.3174.3-170.2-0.3114.6L19 L20 M21L19-R23 PolarHBondContact O-N 3.31Å; L20-R23 PolarHBondContact O-N 3.29Å; M21-R23 PolarHBondContact O-N 3.34Å
24A55.6Low71.5Confident73 Ų73130.5 Ų130.560%0.60367%0.667SS**THydrogen-bonded Turntrans-94.8-10.8-175.700000114.2L20 M21 D22 C26L20-A24 PolarHBondContact O-N 3.19Å; M21-A24 WeakPolarHBondContact O-CB 3.47Å; M21-A24 PolarHBondContact O-N 3.05Å; D22-A24 VanDerWaalsContact C-N 3.27Å; D22-A24 PolarHBondContact O-N 3.35Å; A24-C26 PolarHBondContact O-N 3.19Å
25I54Low71.8Confident128 Ų128130.9 Ų130.966%0.65667%0.67SS**THydrogen-bonded Turntrans-86.5-2.4-170.6-66.1162000113.6M21 Q27M21-I25 WeakPolarHBondContact O-CD1 3.47Å; M21-I25 WeakPolarHBondContact O-CG1 3.46Å; M21-I25 PolarHBondContact O-N 3Å; I25-Q27 PolarHBondContact O-N 3.29Å
26C55.9Low72.2Confident122 Ų122130.9 Ų130.982%0.82468%0.677SS**THydrogen-bonded Turntrans-94.525.1-178-92.40000116A24A24-C26 PolarHBondContact O-N 3.19Å
27Q61.6Low72.7Confident176 Ų176132.7 Ų132.782%0.82269%0.689SS**SBendtrans-111.4125.8167.8-66.9-169.8-21.900110.3I25 F29I25-Q27 PolarHBondContact O-N 3.29Å; Q27-F29 PolarHBondContact O-N 2.95Å
28H59.8Low73.2Confident163 Ų163135.7 Ų135.776%0.75571%0.706SS**  trans-60.698.8177.9-84.377000109.3F30H28-F30 PolarHBondContact O-N 3.32Å; H28-F30 VanDerWaalsContact O-N 3.13Å
29F67.4Low73.9Confident185 Ų185137.8 Ų137.881%0.81172%0.715SS**SBendtrans-57.5-27.4179.6-171.4-93.1000112.5Q27Q27-F29 PolarHBondContact O-N 2.95Å
30F77.6Confident74.8Confident141 Ų141134 Ų13462%0.61869%0.694SS**SBendtrans-115.1115170.1-60.7-72.9000110.2H28 L32H28-F30 PolarHBondContact O-N 3.32Å; H28-F30 VanDerWaalsContact O-N 3.13Å; F30-L32 HydrophobicContact CB-CD1 4.42Å; F30-L32 HydrophobicContact CB-CD2 4.36Å; F30-L32 HydrophobicContact CB-CG 3.98Å; F30-L32 PolarHBondContact O-N 3.4Å
31L81.2Confident75.8Confident129 Ų129133 Ų13368%0.67570%0.695SS**  trans-7667.3174.8-67.5173.4000111.2R33 I35L31-R33 VanDerWaalsContact C-N 3.25Å; L31-R33 PolarHBondContact O-N 2.97Å; L31-I35 HydrophobicContact CD2-CD1 3.84Å; L31-I35 HydrophobicContact CD2-CG1 4.11Å
32L90.2Very high77Confident156 Ų156130.3 Ų130.382%0.81769%0.685SS**  trans-77.1-11.5178.4-60.4176.7000113.2F30F30-L32 HydrophobicContact CB-CD1 4.42Å; F30-L32 HydrophobicContact CB-CD2 4.36Å; F30-L32 HydrophobicContact CB-CG 3.98Å; F30-L32 PolarHBondContact O-N 3.4Å
33R89.3Confident78.5Confident214 Ų214130.5 Ų130.581%0.80869%0.69SS**SBendtrans-137.6150.8178.2-67-176.7-175.6168.83109.6L31L31-R33 VanDerWaalsContact C-N 3.25Å; L31-R33 PolarHBondContact O-N 2.97Å
34P90.6Very high79.9Confident128 Ų128125.6 Ų125.683%0.83168%0.681SS**PPolyproline II helixtrans-63.6146.5172.927.9-34.4000110.9
35I89.6Confident81.5Confident135 Ų135127.1 Ų127.169%0.69268%0.679SS**PPolyproline II helixtrans-83.7127.8173.9-56.6175.7000107.8L31L31-I35 HydrophobicContact CD2-CD1 3.84Å; L31-I35 HydrophobicContact CD2-CG1 4.11Å
36P91.3Very high83.3Confident111 Ų111131 Ų13172%0.72169%0.691SS**PPolyproline II helixtrans-64.1146.8175.428.4-34.3000110.7
37S90.7Very high85Confident88 Ų88128.3 Ų128.362%0.61567%0.666SS**PPolyproline II helixtrans-97.7141175.9-178.90000110.2S39S37-S39 PolarHBondContact O-N 3.18Å; S37-S39 WeakPolarHBondContact OG-CB 3.42Å; S37-S39 PolarHBondContact OG-N 2.74Å; S37-S39 PolarHBondContact OG-OG 3.11Å
38D89.4Confident86.4Confident160 Ų160123.8 Ų123.886%0.85665%0.648SS**  trans-87.718.8171.2-58.6-36.6000112.3
39S89.4Confident88Confident84 Ų84121.8 Ų121.859%0.58765%0.649SS**  trans-69.4138.5178.950.90000111.7S37S37-S39 PolarHBondContact O-N 3.18Å; S37-S39 WeakPolarHBondContact OG-CB 3.42Å; S37-S39 PolarHBondContact OG-N 2.74Å; S37-S39 PolarHBondContact OG-OG 3.11Å
40L90.4Very high89.3Confident37 Ų37116.6 Ų116.619%0.19463%0.63CS.*SBendtrans-125.9153.1179.4-68.3173.8000110.1V42 P181 P211 I213L40-V42 HydrophobicContact CD2-CG2 3.69Å; L40-P181 HydrophobicContact CB-CB 4Å; L40-P181 HydrophobicContact CB-CG 4.01Å; L40-P211 HydrophobicContact CD2-CB 4.08Å; L40-P211 HydrophobicContact CD2-CG 4.03Å; L40-I213 HydrophobicContact CB-CD1 4.29Å; L40-I213 HydrophobicContact CB-CG1 4.17Å; L40-I213 HydrophobicContact CD1-CG1 3.92Å
41P88.8Confident90.1Very high98 Ų98114.3 Ų114.364%0.63663%0.629SS**SBendcis-74.5158.21.432.1-36.4000113.6I213P41-I213 HydrophobicContact CB-CD1 4.39Å
42V88.7Confident90.6Very high57 Ų57111 Ų11135%0.34562%0.62SS.*PPolyproline II helixtrans-71.6133.9173.8-178.10000109.4L40 P211L40-V42 HydrophobicContact CD2-CG2 3.69Å; V42-P211 HydrophobicContact CG2-CG 3.45Å; V42-P211 VanDerWaalsContact CG2-CG 3.45Å
43V89Confident90.8Very high125 Ų125106.4 Ų106.476%0.75859%0.594SS**PPolyproline II helixtrans-81.3143.7173.5-177.50000109.5L45V43-L45 PolarHBondContact O-N 2.85Å
44D87.1Confident91.1Very high128 Ų12898.6 Ų98.668%0.68457%0.568SS**PPolyproline II helixtrans-53.3133.3176.7-64.1-26.4000111.7K46D44-K46 PolarHBondContact O-N 3.27Å
45L90.4Very high91.4Very high105 Ų10593.3 Ų93.355%0.5553%0.534SS..PPolyproline II helixtrans-67.3127.8178.8-65.8176.5000109.6V43 E47 F155V43-L45 PolarHBondContact O-N 2.85Å; L45-E47 PolarHBondContact O-N 3.35Å; L45-F155 HydrophobicContact CD1-CE2 4.08Å; L45-F155 HydrophobicContact CD1-CZ 3.81Å
46K91.3Very high91.6Very high209 Ų20992.9 Ų92.991%0.90953%0.527SS*.  trans-7598.1170.5-173.1173.8-179176.70109.4D44D44-K46 PolarHBondContact O-N 3.27Å
47E91.4Very high91.8Very high66 Ų6696.1 Ų96.131%0.30853%0.533SS..  trans-79149.9178.9-66.4-59.8153.100112.6L45 R154 R191L45-E47 PolarHBondContact O-N 3.35Å; E47-R154 WeakPolarHBondContact OE2-CD 3.44Å; E47-R154 IonicContact OE2-CZ 2.78Å; E47-R154 IonicContact OE2-NE 3.23Å; E47-R154 IonicContact OE2-NH1 3.73Å; E47-R154 PolarHBondContact OE2-NH1 3.38Å; E47-R191 IonicContact OE1-CZ 3.09Å; E47-R191 IonicContact OE1-NH1 2.72Å; E47-R191 PolarHBondContact OE1-NH1 2.93Å; E47-R191 IonicContact OE1-NH2 3.9Å; E47-R191 PolarHBondContact OE1-NH2 3.25Å; E47-R191 IonicContact OE2-CZ 3.59Å; E47-R191 IonicContact OE2-NH1 3.67Å; E47-R191 IonicContact OE2-NH2 2.67Å; E47-R191 PolarHBondContact OE2-NH2 3.31Å
48D91.1Very high91.9Very high81 Ų81100.8 Ų100.843%0.43354%0.537SS..  trans-62.8127.3166.5-166.3-53.2000109.6D50 F53 R154D48-D50 VanDerWaalsContact C-N 3.26Å; D48-D50 PolarHBondContact O-N 2.96Å; D48-D50 VanDerWaalsContact OD1-CB 3.32Å; D48-D50 WeakPolarHBondContact OD1-CB 3.08Å; D48-D50 PolarHBondContact OD1-N 3.33Å; D48-F53 HydrophobicContact CB-CD2 4.11Å; D48-F53 HydrophobicContact CB-CE2 4.37Å; D48-R154 VanDerWaalsContact O-CZ 3.3Å; D48-R154 PolarHBondContact O-NH1 2.78Å; D48-R154 VanDerWaalsContact O-NH1 3.1Å; D48-R154 PolarHBondContact O-NH2 3.06Å
49P94.1Very high92.1Very high120 Ų12095.3 Ų95.378%0.77951%0.508SS*.  trans-73.1-9.7-177.930.7-37000114.7P51P49-P51 VanDerWaalsContact O-CD 3.3Å; P49-P51 WeakPolarHBondContact O-CD 3.41Å
50D94.2Very high92.4Very high76 Ų7694.9 Ų94.941%0.40650%0.498SS..  trans-68.2119.1-179.3-179.50000111.4D48 A52 F53 R154D48-D50 VanDerWaalsContact C-N 3.26Å; D48-D50 PolarHBondContact O-N 2.96Å; D48-D50 VanDerWaalsContact OD1-CB 3.32Å; D48-D50 WeakPolarHBondContact OD1-CB 3.08Å; D48-D50 PolarHBondContact OD1-N 3.33Å; D50-A52 PolarHBondContact O-N 2.89Å; D50-A52 VanDerWaalsContact O-N 3.08Å; D50-A52 VanDerWaalsContact OD1-CB 3.29Å; D50-A52 WeakPolarHBondContact OD1-CB 3.48Å; D50-A52 PolarHBondContact OD1-N 3.42Å; D50-F53 HydrophobicContact CB-CD2 3.82Å; D50-F53 HydrophobicContact CB-CE2 3.95Å; D50-F53 PolarHBondContact O-N 3.5Å; D50-F53 VanDerWaalsContact O-N 3.14Å; D50-R154 PolarHBondContact O-NH2 2.67Å
51P93.4Very high92.6Very high93 Ų9397.2 Ų97.260%0.60451%0.511SS*.G310 helixtrans-62.3-14.8178.7-2233.9000114.3P49 F53 D54P49-P51 VanDerWaalsContact O-CD 3.3Å; P49-P51 WeakPolarHBondContact O-CD 3.41Å; P51-F53 PolarHBondContact O-N 3.23Å; P51-D54 WeakPolarHBondContact O-CB 3.02Å; P51-D54 PolarHBondContact O-N 2.92Å
52A92.6Very high92.9Very high60 Ų6096.9 Ų96.950%0.49650%0.501SS..G310 helixtrans-59.8-24.1174.100000112.8D50 L201D50-A52 PolarHBondContact O-N 2.89Å; D50-A52 VanDerWaalsContact O-N 3.08Å; D50-A52 VanDerWaalsContact OD1-CB 3.29Å; D50-A52 WeakPolarHBondContact OD1-CB 3.48Å; D50-A52 PolarHBondContact OD1-N 3.42Å; A52-L201 WeakPolarHBondContact O-CD2 3.43Å
53F93.8Very high93.2Very high59 Ų5999.4 Ų99.426%0.25952%0.516SS..G310 helixtrans-88.4-2.3176.3-61.8-73000113.8D48 D50 P51 W192 C194 L201D48-F53 HydrophobicContact CB-CD2 4.11Å; D48-F53 HydrophobicContact CB-CE2 4.37Å; D50-F53 HydrophobicContact CB-CD2 3.82Å; D50-F53 HydrophobicContact CB-CE2 3.95Å; D50-F53 PolarHBondContact O-N 3.5Å; D50-F53 VanDerWaalsContact O-N 3.14Å; P51-F53 PolarHBondContact O-N 3.23Å; F53-W192 PolarHBondContact O-NE1 3.32Å; F53-C194 HydrophobicContact CD1-CB 3.85Å; F53-L201 HydrophobicContact CD1-CD1 4.18Å; F53-L201 HydrophobicContact CD1-CD2 3.84Å; F53-L201 HydrophobicContact CE1-CD1 3.76Å; F53-L201 HydrophobicContact CE1-CD2 4.02Å
54D95.8Very high93.5Very high51 Ų5199 Ų9927%0.27351%0.507SS..SBendtrans-88.2147.5-179.7-65.3-15.3000111.7P51 R154P51-D54 WeakPolarHBondContact O-CB 3.02Å; P51-D54 PolarHBondContact O-N 2.92Å; D54-R154 IonicContact OD1-CZ 2.71Å; D54-R154 VanDerWaalsContact OD1-CZ 3.23Å; D54-R154 IonicContact OD1-NE 2.85Å; D54-R154 PolarHBondContact OD1-NE 2.67Å; D54-R154 IonicContact OD1-NH2 2.79Å; D54-R154 PolarHBondContact OD1-NH2 3.03Å
55P96.6Very high94Very high17 Ų1793.1 Ų93.111%0.1148%0.475CS..PPolyproline II helixtrans-67145174.427.3-31.7000110.7D59 L60 C153 W192 W205P55-D59 HydrophobicContact CB-CB 4.26Å; P55-L60 HydrophobicContact CB-CD2 4.43Å; P55-L60 HydrophobicContact CB-CG 4.5Å; P55-L60 HydrophobicContact CG-CD2 4.36Å; P55-C153 VanDerWaalsContact CG-O 3.22Å; P55-C153 WeakPolarHBondContact CG-O 3.46Å; P55-W192 HydrophobicContact CB-CD2 3.81Å; P55-W192 HydrophobicContact CB-CE3 4.24Å; P55-W192 HydrophobicContact CB-CG 4.07Å; P55-W192 HydrophobicContact CB-CZ2 4.13Å; P55-W192 HydrophobicContact CG-CD2 4.46Å; P55-W192 HydrophobicContact CG-CG 4.21Å; P55-W205 HydrophobicContact CB-CZ2 3.88Å; P55-W205 HydrophobicContact CG-CH2 4.19Å; P55-W205 HydrophobicContact CG-CZ2 3.88Å
56K95.1Very high94.2Very high125 Ų12592.8 Ų92.854%0.54347%0.466SS..PPolyproline II helixtrans-91.4168.1174.8-60179.4-178.7-175.80110.1R58 D59 L60K56-R58 HydrophobicContact CB-CG 4.2Å; K56-R58 PolarHBondContact O-N 2.76Å; K56-D59 WeakPolarHBondContact CB-OD2 3.25Å; K56-D59 PolarHBondContact N-OD2 3.06Å; K56-D59 VanDerWaalsContact N-OD2 3.08Å; K56-D59 WeakPolarHBondContact O-CA 3.48Å; K56-D59 WeakPolarHBondContact O-CB 3.39Å; K56-D59 PolarHBondContact O-N 2.91Å; K56-L60 PolarHBondContact O-N 3.44Å
57E93.8Very high94.4Very high180 Ų18087.6 Ų87.684%0.84146%0.457SS*.G310 helixtrans-54.6-39179-171.3174.9-168.700113.2D59 L60E57-D59 PolarHBondContact O-N 3.2Å; E57-L60 PolarHBondContact O-N 3.39Å; E57-L60 VanDerWaalsContact O-N 3.09Å
58R93.3Very high94.6Very high186 Ų18687.9 Ų87.970%0.70246%0.459SS*.G310 helixtrans-62.2-24.3175.170.3-176.1-178.8-167.73.5114.1K56 L60K56-R58 HydrophobicContact CB-CG 4.2Å; K56-R58 PolarHBondContact O-N 2.76Å; R58-L60 VanDerWaalsContact C-N 3.33Å
59D94.6Very high94.8Very high45 Ų4584.7 Ų84.724%0.24144%0.442CS..G310 helixtrans-91.80.6-178.5-51.4-56.9000111.2P55 K56 E57 W192 W205P55-D59 HydrophobicContact CB-CB 4.26Å; K56-D59 WeakPolarHBondContact CB-OD2 3.25Å; K56-D59 PolarHBondContact N-OD2 3.06Å; K56-D59 VanDerWaalsContact N-OD2 3.08Å; K56-D59 WeakPolarHBondContact O-CA 3.48Å; K56-D59 WeakPolarHBondContact O-CB 3.39Å; K56-D59 PolarHBondContact O-N 2.91Å; E57-D59 PolarHBondContact O-N 3.2Å; D59-W192 HydrophobicContact CB-CH2 3.66Å; D59-W192 HydrophobicContact CB-CZ2 4.35Å; D59-W192 HydrophobicContact CB-CZ3 3.99Å; D59-W205 PolarHBondContact O-NE1 3.29Å
60L95.1Very high94.8Very high75 Ų7581.6 Ų81.639%0.39343%0.432SS..  trans-110.232-175.7-69.2172.1000113.1P55 K56 E57 R58 E62 L65 W205P55-L60 HydrophobicContact CB-CD2 4.43Å; P55-L60 HydrophobicContact CB-CG 4.5Å; P55-L60 HydrophobicContact CG-CD2 4.36Å; K56-L60 PolarHBondContact O-N 3.44Å; E57-L60 PolarHBondContact O-N 3.39Å; E57-L60 VanDerWaalsContact O-N 3.09Å; R58-L60 VanDerWaalsContact C-N 3.33Å; L60-E62 PolarHBondContact O-N 3.39Å; L60-L65 HydrophobicContact CD2-CD1 4.44Å; L60-W205 HydrophobicContact CD2-CH2 4.42Å; L60-W205 HydrophobicContact CD2-CZ2 3.68Å
61N95.6Very high94.6Very high85 Ų8584.7 Ų84.746%0.45545%0.448SS..  trans-70.7103.8175.7-173.5-21.2000111T63 E64 L65N61-T63 PolarHBondContact O-N 3.26Å; N61-T63 VanDerWaalsContact O-N 3.1Å; N61-T63 PolarHBondContact OD1-N 2.94Å; N61-T63 VanDerWaalsContact OD1-N 3.17Å; N61-E64 HydrophobicContact CB-CB 4.25Å; N61-E64 PolarHBondContact O-N 3.45Å; N61-E64 VanDerWaalsContact O-N 3.11Å; N61-L65 WeakPolarHBondContact O-CG 3.36Å; N61-L65 PolarHBondContact O-N 2.99Å
62E94.6Very high94.6Very high91 Ų9182.8 Ų82.843%0.42543%0.431SS..Hα-helixtrans-53.7-35-176.7-69.9-168.9-154.500114.1L60 L65 R66 W156L60-E62 PolarHBondContact O-N 3.39Å; E62-L65 PolarHBondContact O-N 2.86Å; E62-R66 WeakPolarHBondContact O-CB 3.09Å; E62-R66 VanDerWaalsContact O-CG 3.22Å; E62-R66 WeakPolarHBondContact O-CG 3.34Å; E62-R66 PolarHBondContact O-N 3.22Å; E62-W156 HydrophobicContact CB-CZ2 4.38Å; E62-W156 HydrophobicContact CG-CZ2 4.37Å
63T94.4Very high94.6Very high110 Ų11082.8 Ų82.868%0.67542%0.422SS*.Hα-helixtrans-68.3-42-177.9-53.80000111N61 S67N61-T63 PolarHBondContact O-N 3.26Å; N61-T63 VanDerWaalsContact O-N 3.1Å; N61-T63 PolarHBondContact OD1-N 2.94Å; N61-T63 VanDerWaalsContact OD1-N 3.17Å; T63-S67 PolarHBondContact O-N 3.38Å; T63-S67 VanDerWaalsContact O-N 3.13Å
64E95.4Very high94.5Very high118 Ų11882.3 Ų82.355%0.55143%0.434SS*.Hα-helixtrans-67.2-43.9176.1-173.1177.3179.700110.7N61 R66 S67 I68N61-E64 HydrophobicContact CB-CB 4.25Å; N61-E64 PolarHBondContact O-N 3.45Å; N61-E64 VanDerWaalsContact O-N 3.11Å; E64-R66 PolarHBondContact O-N 2.77Å; E64-S67 WeakPolarHBondContact O-CA 3.34Å; E64-S67 WeakPolarHBondContact O-CB 3.33Å; E64-S67 PolarHBondContact O-N 2.62Å; E64-S67 VanDerWaalsContact O-N 3.1Å; E64-I68 HydrophobicContact CG-CD1 4.16Å; E64-I68 WeakPolarHBondContact O-CG1 3.35Å; E64-I68 PolarHBondContact O-N 2.85Å
65L96.9Very high94.3Very high3 Ų388.9 Ų88.92%0.01646%0.455CS..Hα-helixtrans-65.6-40.3179.7-62.1176.6000112.5L60 N61 E62 S67 I68 L69 W156 L190 W205L60-L65 HydrophobicContact CD2-CD1 4.44Å; N61-L65 WeakPolarHBondContact O-CG 3.36Å; N61-L65 PolarHBondContact O-N 2.99Å; E62-L65 PolarHBondContact O-N 2.86Å; L65-S67 VanDerWaalsContact C-N 3.28Å; L65-S67 PolarHBondContact O-N 2.85Å; L65-I68 PolarHBondContact O-N 2.79Å; L65-L69 WeakPolarHBondContact O-CB 3.43Å; L65-L69 PolarHBondContact O-N 2.94Å; L65-W156 HydrophobicContact CB-CD2 3.63Å; L65-W156 HydrophobicContact CB-CE3 3.57Å; L65-W156 HydrophobicContact CB-CG 4.4Å; L65-W156 HydrophobicContact CB-CH2 3.76Å; L65-W156 HydrophobicContact CB-CZ2 3.77Å; L65-W156 HydrophobicContact CB-CZ3 3.63Å; L65-W156 HydrophobicContact CD1-CB 4.37Å; L65-W156 VanDerWaalsContact CD1-CD1 3.5Å; L65-W156 HydrophobicContact CD1-CD2 3.69Å; L65-W156 HydrophobicContact CD1-CE3 4.45Å; L65-W156 HydrophobicContact CD1-CG 3.61Å; L65-W156 HydrophobicContact CD1-CZ2 4.45Å; L65-W156 HydrophobicContact CG-CD2 4.23Å; L65-L190 HydrophobicContact CB-CD1 4Å; L65-L190 HydrophobicContact CD2-CD1 3.8Å; L65-L190 HydrophobicContact CG-CD1 4.49Å; L65-W205 HydrophobicContact CD2-CB 4.13Å; L65-W205 HydrophobicContact CD2-CD2 3.92Å; L65-W205 HydrophobicContact CD2-CG 3.5Å
66R95.8Very high94.2Very high98 Ų9890.4 Ų90.437%0.3746%0.462SS..Hα-helixtrans-58.7-42.1170.7-76-179.8-177.7-88.5-2.2111.3E62 E64 I68 L69 G70 F72 W156E62-R66 WeakPolarHBondContact O-CB 3.09Å; E62-R66 VanDerWaalsContact O-CG 3.22Å; E62-R66 WeakPolarHBondContact O-CG 3.34Å; E62-R66 PolarHBondContact O-N 3.22Å; E64-R66 PolarHBondContact O-N 2.77Å; R66-I68 VanDerWaalsContact C-N 3.35Å; R66-I68 PolarHBondContact O-N 3Å; R66-L69 PolarHBondContact O-N 3.41Å; R66-G70 PolarHBondContact O-N 2.87Å; R66-F72 VanDerWaalsContact NH1-CD1 3.29Å; R66-W156 HydrophobicContact CB-CH2 4.33Å; R66-W156 HydrophobicContact CG-CH2 3.54Å; R66-W156 HydrophobicContact CG-CZ2 4.26Å; R66-W156 HydrophobicContact CG-CZ3 4.48Å
67S95.7Very high94.2Very high101 Ų10184.9 Ų84.971%0.70644%0.439SS*.Hα-helixtrans-65.2-36.1178-1730000112.9T63 E64 L65T63-S67 PolarHBondContact O-N 3.38Å; T63-S67 VanDerWaalsContact O-N 3.13Å; E64-S67 WeakPolarHBondContact O-CA 3.34Å; E64-S67 WeakPolarHBondContact O-CB 3.33Å; E64-S67 PolarHBondContact O-N 2.62Å; E64-S67 VanDerWaalsContact O-N 3.1Å; L65-S67 VanDerWaalsContact C-N 3.28Å; L65-S67 PolarHBondContact O-N 2.85Å
68I95.6Very high94.3Very high71 Ų7177.4 Ų77.436%0.36441%0.406SS..Hα-helixtrans-73.8-39.9177.3-62.4164.7000110.8E64 L65 R66 L190E64-I68 HydrophobicContact CG-CD1 4.16Å; E64-I68 WeakPolarHBondContact O-CG1 3.35Å; E64-I68 PolarHBondContact O-N 2.85Å; L65-I68 PolarHBondContact O-N 2.79Å; R66-I68 VanDerWaalsContact C-N 3.35Å; R66-I68 PolarHBondContact O-N 3Å; I68-L190 HydrophobicContact CB-CD1 4.19Å; I68-L190 HydrophobicContact CB-CD2 4.43Å; I68-L190 HydrophobicContact CG2-CD1 4.24Å; I68-L190 HydrophobicContact CG2-CD2 3.76Å
69L95.5Very high94.4Very high14 Ų1470.5 Ų70.57%0.07339%0.385CS..Hα-helixtrans-67.2-41.2-179.6-173.874.8000112L65 R66 D71 F72 L77 W156 P157 T188 L190L65-L69 WeakPolarHBondContact O-CB 3.43Å; L65-L69 PolarHBondContact O-N 2.94Å; R66-L69 PolarHBondContact O-N 3.41Å; L69-D71 PolarHBondContact O-N 3.38Å; L69-F72 HydrophobicContact CD2-CB 4.28Å; L69-F72 HydrophobicContact CD2-CD2 3.83Å; L69-L77 HydrophobicContact CD2-CD1 4.2Å; L69-W156 HydrophobicContact CB-CZ3 4.12Å; L69-W156 HydrophobicContact CD2-CZ3 3.89Å; L69-P157 HydrophobicContact CD2-CG 4.25Å; L69-T188 HydrophobicContact CD1-CG2 4.22Å; L69-T188 WeakPolarHBondContact CD1-O 3.41Å; L69-L190 HydrophobicContact CB-CD1 4.45Å; L69-L190 HydrophobicContact CB-CD2 4.36Å; L69-L190 HydrophobicContact CB-CG 4.35Å; L69-L190 HydrophobicContact CD1-CD2 4.07Å; L69-L190 HydrophobicContact CD1-CG 4.03Å
70G92.8Very high94.2Very high55 Ų5572.2 Ų72.257%0.56740%0.4SS*.  trans81.4-104.2-17400000111.3R66 F72R66-G70 PolarHBondContact O-N 2.87Å; G70-F72 PolarHBondContact O-N 2.03Å
71D90.1Very high93.8Very high141 Ų14173.7 Ų73.775%0.75441%0.408SS*.  trans-73.1124.8-176.8-170.524.6000111.4L69L69-D71 PolarHBondContact O-N 3.38Å
72F93.1Very high93.2Very high53 Ų5371.3 Ų71.323%0.23240%0.397CS..  trans-124.5102.6-179.2-179-83000108.7R66 L69 G70 L77 P157R66-F72 VanDerWaalsContact NH1-CD1 3.29Å; L69-F72 HydrophobicContact CD2-CB 4.28Å; L69-F72 HydrophobicContact CD2-CD2 3.83Å; G70-F72 PolarHBondContact O-N 2.03Å; F72-L77 HydrophobicContact CE2-CB 4.26Å; F72-P157 HydrophobicContact CD2-CG 3.93Å; F72-P157 HydrophobicContact CE2-CB 4.23Å; F72-P157 HydrophobicContact CE2-CG 3.46Å; F72-P157 VanDerWaalsContact CE2-CG 3.46Å
73D92.9Very high92.3Very high60 Ų6073.6 Ų73.632%0.32142%0.417SS..  trans-94.2105.4172-173.7-3.1000110.6R75 L76 L77D73-R75 PolarHBondContact O-N 3.44Å; D73-R75 VanDerWaalsContact OD1-CB 3.26Å; D73-R75 WeakPolarHBondContact OD1-CB 3.26Å; D73-R75 VanDerWaalsContact OD1-CG 3.31Å; D73-R75 WeakPolarHBondContact OD1-CG 3.42Å; D73-R75 PolarHBondContact OD1-N 2.87Å; D73-L76 HydrophobicContact CB-CD1 4.5Å; D73-L76 PolarHBondContact O-N 2.84Å; D73-L77 PolarHBondContact O-N 2.88Å
74G92.5Very high91Very high49 Ų4973.1 Ų73.151%0.50541%0.407SS..THydrogen-bonded Turntrans-62-11.8177.700000114.9L76 L77G74-L76 VanDerWaalsContact C-N 3.33Å; G74-L77 WeakPolarHBondContact CA-O 3.31Å
75R91.9Very high88.6Confident189 Ų18973.7 Ų73.771%0.71341%0.414SS*.THydrogen-bonded Turntrans-78.3-21.8173.9-57.6173.3-173.1-144.71112.5D73 R161D73-R75 PolarHBondContact O-N 3.44Å; D73-R75 VanDerWaalsContact OD1-CB 3.26Å; D73-R75 WeakPolarHBondContact OD1-CB 3.26Å; D73-R75 VanDerWaalsContact OD1-CG 3.31Å; D73-R75 WeakPolarHBondContact OD1-CG 3.42Å; D73-R75 PolarHBondContact OD1-N 2.87Å; R75-R161 WeakPolarHBondContact O-CD 3.41Å
76L93.8Very high86.1Confident50 Ų5082.9 Ų82.926%0.26245%0.454SS..THydrogen-bonded Turntrans-118.2-25.8-174.3-64.4171.8000112.6D73 G74 V160 R161 L187D73-L76 HydrophobicContact CB-CD1 4.5Å; D73-L76 PolarHBondContact O-N 2.84Å; G74-L76 VanDerWaalsContact C-N 3.33Å; L76-V160 CarbonylContact O-C 3.57Å; L76-V160 WeakPolarHBondContact O-CA 3.09Å; L76-R161 HydrophobicContact CD2-CB 4.48Å; L76-R161 PolarHBondContact O-N 3.1Å; L76-L187 HydrophobicContact CB-CD1 4.13Å; L76-L187 HydrophobicContact CD1-CD2 3.8Å
77L95.7Very high83.5Confident9 Ų986 Ų865%0.04747%0.472CS..EExtended strand (participates in β ladder)trans-126.9138.5-175.1-57.6177000110.9L69 F72 D73 G74 P157 V160 L187 V189L69-L77 HydrophobicContact CD2-CD1 4.2Å; F72-L77 HydrophobicContact CE2-CB 4.26Å; D73-L77 PolarHBondContact O-N 2.88Å; G74-L77 WeakPolarHBondContact CA-O 3.31Å; L77-P157 HydrophobicContact CB-CB 4.37Å; L77-P157 HydrophobicContact CB-CG 4.08Å; L77-P157 HydrophobicContact CD1-CG 4.47Å; L77-V160 HydrophobicContact CD2-CG1 4.27Å; L77-V160 HydrophobicContact CD2-CG2 3.85Å; L77-L187 HydrophobicContact CD2-CD1 4.28Å; L77-V189 HydrophobicContact CD2-CG1 3.89Å
78S95.2Very high80.9Confident22 Ų2286 Ų8615%0.15447%0.472CS..EExtended strand (participates in β ladder)trans-145.3144175.2-1710000112.3S80 P157 R158 Y159S78-S80 WeakPolarHBondContact CB-O 3.48Å; S78-S80 PolarHBondContact OG-O 2.84Å; S78-P157 VanDerWaalsContact O-CB 3.3Å; S78-P157 WeakPolarHBondContact O-CB 3.37Å; S78-R158 PolarHBondContact O-N 2.04Å; S78-Y159 PolarHBondContact N-O 2.03Å; S78-Y159 WeakPolarHBondContact O-CB 3.47Å; S78-Y159 PolarHBondContact O-N 3.49Å
79V94.6Very high78.2Confident42 Ų4286.1 Ų86.126%0.25549%0.49SS..SBendtrans-79.4-41.4177.3-178.70000110.6W156 P157 Y159V79-W156 HydrophobicContact CG2-CZ2 4.04Å; V79-P157 HydrophobicContact CG2-CB 4.29Å; V79-Y159 WeakPolarHBondContact O-CD2 3.32Å; V79-Y159 WeakPolarHBondContact O-CE2 3.26Å
80S91.2Very high75.4Confident80 Ų8089 Ų8956%0.55951%0.512SS*.SBendtrans-109.3155.7175.657.30000111S78 P82 Y159S78-S80 WeakPolarHBondContact CB-O 3.48Å; S78-S80 PolarHBondContact OG-O 2.84Å; S80-P82 WeakPolarHBondContact O-CD 3.5Å; S80-P82 VanDerWaalsContact O-N 3.11Å; S80-Y159 VanDerWaalsContact C-CE2 3.47Å
81L86.9Confident72.6Confident107 Ų10791.9 Ų91.956%0.5651%0.514SS*.  trans-58.6118.7175.7-176.565000109.1V83 W148 Y159L81-V83 PolarHBondContact O-N 3.4Å; L81-W148 HydrophobicContact CD1-CB 4.41Å; L81-Y159 HydrophobicContact CB-CD1 4.33Å; L81-Y159 HydrophobicContact CB-CE1 3.87Å; L81-Y159 HydrophobicContact CB-CE2 4.24Å; L81-Y159 HydrophobicContact CD1-CD1 3.78Å; L81-Y159 HydrophobicContact CD1-CE1 3.78Å; L81-Y159 HydrophobicContact CG-CE1 4.38Å
82P83.1Confident70.5Confident35 Ų3593.6 Ų93.623%0.22752%0.518CS..  trans-65135.1177.6-25.439.9000109.6S80 E84 W148S80-P82 WeakPolarHBondContact O-CD 3.5Å; S80-P82 VanDerWaalsContact O-N 3.11Å; P82-E84 VanDerWaalsContact C-N 3.31Å; P82-E84 PolarHBondContact O-N 2.74Å; P82-W148 HydrophobicContact CB-CZ2 4.38Å; P82-W148 HydrophobicContact CG-CD2 3.72Å; P82-W148 HydrophobicContact CG-CE3 4.06Å; P82-W148 HydrophobicContact CG-CG 4.24Å; P82-W148 HydrophobicContact CG-CH2 4.04Å; P82-W148 HydrophobicContact CG-CZ2 3.72Å; P82-W148 HydrophobicContact CG-CZ3 4.21Å
83V75.9Confident68Low138 Ų13894.5 Ų94.584%0.83653%0.531SS*.  trans-70.795.4169.9-176.30000106.1L81 D85L81-V83 PolarHBondContact O-N 3.4Å; V83-D85 PolarHBondContact O-N 2.03Å
84E66.3Low65.6Low100 Ų10095.6 Ų95.647%0.46754%0.536SS..  trans-64.3120.9165.8-64-145.7150.500107.3P82 K86 W148P82-E84 VanDerWaalsContact C-N 3.31Å; P82-E84 PolarHBondContact O-N 2.74Å; E84-K86 PolarHBondContact O-N 3.36Å; E84-W148 PolarHBondContact OE1-NE1 3.19Å
85D45.6Very low63.5Low130 Ų13096.6 Ų96.670%0.69553%0.528SS*.  trans-51.8116.9172.4-105.7-25.3000107.7V83 H87V83-D85 PolarHBondContact O-N 2.03Å; D85-H87 PolarHBondContact O-N 2.91Å
86K43.5Very low61.2Low197 Ų19795.1 Ų95.186%0.85753%0.527SS*.SBendtrans-66.271.2176.9-70.5179.7172.4-179.70110.4E84E84-K86 PolarHBondContact O-N 3.36Å
87H41.9Very low58.9Low164 Ų16498.6 Ų98.676%0.75955%0.545SS*.  trans-103.88.6159.3-74.494.2000112D85D85-H87 PolarHBondContact O-N 2.91Å
88S40.2Very low56.7Low101 Ų101103.5 Ų103.571%0.70657%0.571SS**  trans-11745.1174.636.90000110.7
89G40Very low54.7Low72 Ų72103.6 Ų103.674%0.74257%0.569SS**  trans-118.664.7173.300000111.1
90S36.2Very low52.9Low75 Ų75110.1 Ų110.152%0.52459%0.594SS.*SBendtrans-173.1136.6146.7-155.40000109.2
91D34.6Very low51.4Low115 Ų115107.3 Ų107.362%0.61558%0.576SS**  trans68.8126.3158.7-58.3-49.7000119.4S93 D94D91-S93 WeakPolarHBondContact CB-OG 3.37Å; D91-S93 PolarHBondContact O-N 3.36Å; D91-D94 PolarHBondContact O-N 2.99Å
92E45.3Very low50.2Low178 Ų178104.6 Ų104.683%0.83257%0.574SS**THydrogen-bonded Turntrans-51.65.4158.8-69.4-88.8118.200113.9
93S40.7Very low49.6Very low72 Ų72106 Ų10650%0.50360%0.595SS.*THydrogen-bonded Turntrans-86-23.4173.559.20000114.6D91 H95D91-S93 WeakPolarHBondContact CB-OG 3.37Å; D91-S93 PolarHBondContact O-N 3.36Å; S93-H95 VanDerWaalsContact C-N 3.33Å; S93-H95 PolarHBondContact O-N 3.32Å
94D42.1Very low49.8Very low82 Ų82105.2 Ų105.244%0.43959%0.59SS.*G310 helixtrans-82.5-6.3-172.3-87.98.4000114.5D91 F96 D97D91-D94 PolarHBondContact O-N 2.99Å; D94-F96 PolarHBondContact O-N 3.42Å; D94-D97 PolarHBondContact O-N 2.82Å
95H47.9Very low50.5Low70 Ų70102 Ų10232%0.32458%0.576SS.*G310 helixtrans-67.5-17.7174.9-143.542.7000112.5S93 L99 V166S93-H95 VanDerWaalsContact C-N 3.33Å; S93-H95 PolarHBondContact O-N 3.32Å; H95-L99 WeakPolarHBondContact O-CD1 3.21Å; H95-L99 WeakPolarHBondContact O-CG 3.45Å; H95-V166 WeakPolarHBondContact NE2-CG1 3.35Å; H95-V166 WeakPolarHBondContact NE2-CG2 3.31Å
96F44.6Very low52.4Low159 Ų15997.9 Ų97.970%0.69756%0.556SS**G310 helixtrans-79.8-24.6178.1-120.9-93.5000114.1D94D94-F96 PolarHBondContact O-N 3.42Å
97D45.6Very low54.5Low122 Ų12296.5 Ų96.565%0.65255%0.55SS**THydrogen-bonded Turntrans-90.3-18.3-175.5-77.9-41.6000114.1D94 L99D94-D97 PolarHBondContact O-N 2.82Å; D97-L99 PolarHBondContact O-N 3.22Å
98I49.4Very low56.6Low113 Ų11395.3 Ų95.358%0.57955%0.545SS*.THydrogen-bonded Turntrans-75.4-10.4170.4-59.7175000111.4K100I98-K100 PolarHBondContact O-N 3.36Å
99L53.5Low58.8Low23 Ų2391.4 Ų91.412%0.1252%0.516CS..THydrogen-bonded Turntrans-9528.6-172-70.5166.3000115H95 D97 A101 P143H95-L99 WeakPolarHBondContact O-CD1 3.21Å; H95-L99 WeakPolarHBondContact O-CG 3.45Å; D97-L99 PolarHBondContact O-N 3.22Å; L99-A101 PolarHBondContact O-N 3.13Å; L99-A101 VanDerWaalsContact O-N 3.11Å; L99-P143 HydrophobicContact CD2-CG 3.53Å
100K57.2Low61Low179 Ų17994.4 Ų94.478%0.77851%0.505SS*.  trans-67117.8162.2-79179.6-176.4162.40107.2I98 G102I98-K100 PolarHBondContact O-N 3.36Å; K100-G102 PolarHBondContact O-N 3.22Å
101A59Low63.3Low21 Ų2194.6 Ų94.617%0.17451%0.511CS..  trans-57.795.6167.800000107.6L99 W137 F141L99-A101 PolarHBondContact O-N 3.13Å; L99-A101 VanDerWaalsContact O-N 3.11Å; A101-W137 HydrophobicContact CB-CD2 3.56Å; A101-W137 VanDerWaalsContact CB-CE2 3.42Å; A101-W137 HydrophobicContact CB-CE3 3.86Å; A101-W137 HydrophobicContact CB-CG 4.08Å; A101-W137 HydrophobicContact CB-CH2 3.93Å; A101-W137 HydrophobicContact CB-CZ2 3.63Å; A101-W137 HydrophobicContact CB-CZ3 4.04Å; A101-W137 WeakPolarHBondContact O-CH2 3.39Å; A101-W137 WeakPolarHBondContact O-CZ2 3.49Å; A101-W137 WeakPolarHBondContact O-CZ3 3.4Å; A101-F141 HydrophobicContact CB-CB 3.97Å; A101-F141 HydrophobicContact CB-CD1 3.98Å; A101-F141 HydrophobicContact CB-CD2 4.33Å; A101-F141 HydrophobicContact CB-CG 3.84Å
102G62.2Low65.7Low51 Ų5191.8 Ų91.853%0.52650%0.498SS..  trans-86.6140.817600000108.6K100K100-G102 PolarHBondContact O-N 3.22Å
103G70.8Confident67.3Low65 Ų6587.2 Ų87.267%0.6748%0.479SS*.SBendtrans109.8-163.517600000114.6W137G103-W137 WeakPolarHBondContact O-CH2 3.47Å
104V78.4Confident69Low120 Ų12085.8 Ų85.873%0.72746%0.464SS*.PPolyproline II helixtrans-89.5132.4-174-179.20000109.6P106V104-P106 WeakPolarHBondContact O-CD 3.44Å
105L82.4Confident70.3Confident33 Ų3385.6 Ų85.617%0.17346%0.463CS..PPolyproline II helixtrans-52.2121.8174.4-177.371.8000110.4I109 R110 Q133 W137L105-I109 HydrophobicContact CD1-CB 4.14Å; L105-I109 HydrophobicContact CD1-CG2 3.86Å; L105-I109 HydrophobicContact CG-CB 4.49Å; L105-R110 HydrophobicContact CD2-CB 4Å; L105-R110 HydrophobicContact CD2-CG 4.29Å; L105-R110 HydrophobicContact CG-CB 4.49Å; L105-R110 PolarHBondContact O-NH2 3.39Å; L105-Q133 HydrophobicContact CD2-CB 4.42Å; L105-W137 HydrophobicContact CD1-CB 3.7Å; L105-W137 HydrophobicContact CD1-CD2 3.9Å; L105-W137 HydrophobicContact CD1-CE3 4.01Å; L105-W137 HydrophobicContact CD1-CG 3.8Å
106P85.4Confident71Confident43 Ų4386.8 Ų86.828%0.27948%0.475SS..PPolyproline II helixtrans-52.9145.7179.4-27.834.7000112.4V104 E108 I109 R110V104-P106 WeakPolarHBondContact O-CD 3.44Å; P106-E108 WeakPolarHBondContact CB-OE2 3.04Å; P106-E108 PolarHBondContact O-N 3.1Å; P106-I109 HydrophobicContact CB-CD1 4.44Å; P106-I109 HydrophobicContact CB-CG1 4.32Å; P106-I109 HydrophobicContact CG-CD1 4.15Å; P106-I109 PolarHBondContact O-N 3.42Å; P106-R110 WeakPolarHBondContact O-CB 3.05Å; P106-R110 PolarHBondContact O-N 2.97Å
107K86.3Confident71.7Confident168 Ų16887.8 Ų87.873%0.7348%0.482SS*.Hα-helixtrans-63-34.6-176.6-68.5-179.4-178.51760110.9R110 A111K107-R110 PolarHBondContact O-N 3.42Å; K107-A111 WeakPolarHBondContact O-CB 3.36Å; K107-A111 PolarHBondContact O-N 3.17Å
108E86.8Confident72.2Confident140 Ų14088.9 Ų88.965%0.65449%0.486SS*.Hα-helixtrans-61.3-50.4178.9-57.969.5-149.100110P106 A111 V112P106-E108 WeakPolarHBondContact CB-OE2 3.04Å; P106-E108 PolarHBondContact O-N 3.1Å; E108-A111 PolarHBondContact O-N 3.1Å; E108-V112 WeakPolarHBondContact O-CG2 3.43Å; E108-V112 PolarHBondContact O-N 3.07Å
109I85.9Confident72.7Confident19 Ų1986.2 Ų86.210%0.09749%0.486CS..Hα-helixtrans-68.8-37.1178.7-57-179.7000111.1L105 P106 A111 V112 Q133 L136 W137L105-I109 HydrophobicContact CD1-CB 4.14Å; L105-I109 HydrophobicContact CD1-CG2 3.86Å; L105-I109 HydrophobicContact CG-CB 4.49Å; P106-I109 HydrophobicContact CB-CD1 4.44Å; P106-I109 HydrophobicContact CB-CG1 4.32Å; P106-I109 HydrophobicContact CG-CD1 4.15Å; P106-I109 PolarHBondContact O-N 3.42Å; I109-A111 VanDerWaalsContact C-N 3.27Å; I109-A111 PolarHBondContact O-N 3.45Å; I109-V112 PolarHBondContact O-N 2.81Å; I109-Q133 HydrophobicContact CG2-CB 4.05Å; I109-Q133 HydrophobicContact CG2-CG 4.32Å; I109-Q133 WeakPolarHBondContact CG2-O 3.39Å; I109-Q133 PolarHBondContact O-NE2 2.79Å; I109-L136 HydrophobicContact CG2-CB 4.23Å; I109-W137 HydrophobicContact CD1-CB 3.86Å; I109-W137 HydrophobicContact CD1-CG 4.31Å
110R85.9Confident72.8Confident134 Ų13495.6 Ų95.651%0.50653%0.526SS..Hα-helixtrans-64-34.4177.3-166.9-176.6-55.6-173.83.6112.3L105 P106 K107 V112 Q133L105-R110 HydrophobicContact CD2-CB 4Å; L105-R110 HydrophobicContact CD2-CG 4.29Å; L105-R110 HydrophobicContact CG-CB 4.49Å; L105-R110 PolarHBondContact O-NH2 3.39Å; P106-R110 WeakPolarHBondContact O-CB 3.05Å; P106-R110 PolarHBondContact O-N 2.97Å; K107-R110 PolarHBondContact O-N 3.42Å; R110-V112 VanDerWaalsContact C-N 3.35Å; R110-Q133 PolarHBondContact O-NE2 3.48Å
111A85.6Confident73.1Confident80 Ų8096 Ų9666%0.66153%0.528SS*.Hα-helixtrans-77.8-17.7179.800000113.4K107 E108 I109 D113K107-A111 WeakPolarHBondContact O-CB 3.36Å; K107-A111 PolarHBondContact O-N 3.17Å; E108-A111 PolarHBondContact O-N 3.1Å; I109-A111 VanDerWaalsContact C-N 3.27Å; I109-A111 PolarHBondContact O-N 3.45Å; A111-D113 PolarHBondContact O-N 2.85Å
112V84.3Confident73.1Confident55 Ų55103.1 Ų103.133%0.33356%0.557SS.*  trans-60.5121.7176.2-179.80000110E108 I109 R110 F114 K129 Q133E108-V112 WeakPolarHBondContact O-CG2 3.43Å; E108-V112 PolarHBondContact O-N 3.07Å; I109-V112 PolarHBondContact O-N 2.81Å; R110-V112 VanDerWaalsContact C-N 3.35Å; V112-F114 HydrophobicContact CB-CZ 4.32Å; V112-F114 HydrophobicContact CG1-CD1 3.94Å; V112-F114 HydrophobicContact CG1-CD2 4.44Å; V112-F114 HydrophobicContact CG1-CE1 3.49Å; V112-F114 VanDerWaalsContact CG1-CE1 3.49Å; V112-F114 HydrophobicContact CG1-CE2 4.05Å; V112-F114 HydrophobicContact CG1-CG 4.39Å; V112-F114 HydrophobicContact CG1-CZ 3.55Å; V112-K129 VanDerWaalsContact O-CE 3.31Å; V112-K129 WeakPolarHBondContact O-CE 2.96Å; V112-Q133 PolarHBondContact O-NE2 3.21Å
113D79.1Confident73.2Confident82 Ų82107.6 Ų107.644%0.43956%0.562SS.*  trans-107.8127.1167.9-145.9-1.9000109.7A111 D115 K129A111-D113 PolarHBondContact O-N 2.85Å; D113-D115 PolarHBondContact O-N 2.94Å; D113-K129 WeakPolarHBondContact OD1-CE 3.31Å; D113-K129 IonicContact OD1-NZ 2.74Å; D113-K129 PolarHBondContact OD1-NZ 3.11Å; D113-K129 IonicContact OD2-NZ 3.48Å; D113-K129 PolarHBondContact OD2-NZ 2.91Å
114F76.4Confident73.2Confident42 Ų42105.9 Ų105.918%0.18454%0.54CS..  trans-92.546.7-178.2-55.2-81.4000110.5V112 V116 P124 K129 L132 Q133 L136V112-F114 HydrophobicContact CB-CZ 4.32Å; V112-F114 HydrophobicContact CG1-CD1 3.94Å; V112-F114 HydrophobicContact CG1-CD2 4.44Å; V112-F114 HydrophobicContact CG1-CE1 3.49Å; V112-F114 VanDerWaalsContact CG1-CE1 3.49Å; V112-F114 HydrophobicContact CG1-CE2 4.05Å; V112-F114 HydrophobicContact CG1-CG 4.39Å; V112-F114 HydrophobicContact CG1-CZ 3.55Å; F114-V116 VanDerWaalsContact C-N 3.33Å; F114-V116 PolarHBondContact O-N 2.84Å; F114-P124 HydrophobicContact CB-CG 4.07Å; F114-P124 WeakPolarHBondContact O-CD 3.46Å; F114-P124 VanDerWaalsContact O-CG 3.31Å; F114-P124 WeakPolarHBondContact O-CG 3Å; F114-K129 HydrophobicContact CD2-CG 4.18Å; F114-K129 HydrophobicContact CE2-CG 4.49Å; F114-L132 HydrophobicContact CB-CD2 4.26Å; F114-L132 HydrophobicContact CD1-CD2 3.28Å; F114-L132 HydrophobicContact CD1-CG 4.12Å; F114-L132 HydrophobicContact CD2-CB 4.22Å; F114-L132 HydrophobicContact CD2-CD2 3.66Å; F114-L132 HydrophobicContact CD2-CG 4.19Å; F114-L132 HydrophobicContact CE1-CD2 3.28Å; F114-L132 HydrophobicContact CE1-CG 3.6Å; F114-L132 HydrophobicContact CE2-CB 3.7Å; F114-L132 HydrophobicContact CE2-CD2 3.66Å; F114-L132 HydrophobicContact CE2-CG 3.68Å; F114-L132 HydrophobicContact CG-CD2 3.47Å; F114-L132 VanDerWaalsContact CG-CD2 3.47Å; F114-L132 HydrophobicContact CG-CG 4.39Å; F114-L132 HydrophobicContact CZ-CB 3.88Å; F114-L132 HydrophobicContact CZ-CD2 3.48Å; F114-L132 VanDerWaalsContact CZ-CD2 3.48Å; F114-L132 HydrophobicContact CZ-CG 3.35Å; F114-Q133 HydrophobicContact CE2-CG 3.96Å; F114-L136 HydrophobicContact CE1-CD1 3.89Å; F114-L136 HydrophobicContact CZ-CD1 3.58Å
115D69.7Low73.4Confident79 Ų79103.5 Ų103.542%0.42253%0.528SS..  trans-73.490.2177.7-91.7-4.1000108.7D113 K123D113-D115 PolarHBondContact O-N 2.94Å; D115-K123 WeakPolarHBondContact OD1-CG 3.5Å; D115-K123 WeakPolarHBondContact OD2-CE 3.27Å; D115-K123 IonicContact OD2-NZ 3.76Å
116V62.3Low73.5Confident94 Ų94111.3 Ų111.357%0.5756%0.561SS**  trans-90117174-1710000108.5F114 I118F114-V116 VanDerWaalsContact C-N 3.33Å; F114-V116 PolarHBondContact O-N 2.84Å; V116-I118 HydrophobicContact CB-CD1 4.44Å; V116-I118 HydrophobicContact CG1-CB 4.39Å; V116-I118 HydrophobicContact CG1-CD1 3.44Å; V116-I118 VanDerWaalsContact CG1-CD1 3.44Å; V116-I118 HydrophobicContact CG1-CG1 3.65Å; V116-I118 PolarHBondContact O-N 3.34Å
117Q60.3Low73.6Confident181 Ų181115.6 Ų115.685%0.84658%0.575SS**  trans-75.658.5173.3-66.3-92.723.300110.7G119Q117-G119 PolarHBondContact O-N 3.41Å
118I54.8Low73.6Confident144 Ų144112.2 Ų112.274%0.73857%0.565SS**  trans-84.589.8166.7-76.4157.1000107.2V116V116-I118 HydrophobicContact CB-CD1 4.44Å; V116-I118 HydrophobicContact CG1-CB 4.39Å; V116-I118 HydrophobicContact CG1-CD1 3.44Å; V116-I118 VanDerWaalsContact CG1-CD1 3.44Å; V116-I118 HydrophobicContact CG1-CG1 3.65Å; V116-I118 PolarHBondContact O-N 3.34Å
119G59.5Low73.6Confident57 Ų57108 Ų10859%0.58854%0.544SS*.SBendtrans63.4-170.217400000115.2Q117 K121Q117-G119 PolarHBondContact O-N 3.41Å; G119-K121 VanDerWaalsContact C-N 3.33Å; G119-K121 PolarHBondContact O-N 3.43Å
120K55.9Low73.7Confident220 Ų220114.6 Ų114.696%0.95757%0.568SS**SBendtrans-60.888.7-173.9-72.5-179.6179176.60111.5
121K62.8Low73.8Confident187 Ų187115.8 Ų115.881%0.81357%0.572SS**  trans50.8109.3167-68.9-175.9178.8177.60116.3G119G119-K121 VanDerWaalsContact C-N 3.33Å; G119-K121 PolarHBondContact O-N 3.43Å
122H59.6Low74Confident171 Ų171114.7 Ų114.779%0.79256%0.555SS**  trans-145.4105.8133.9-123.1-86.4000110.7
123K65.4Low74.3Confident145 Ų145113 Ų11363%0.6354%0.543SS*.PPolyproline II helixtrans-56.8137.3163.1-70.7-166.5162.4-170.50108D115 S125D115-K123 WeakPolarHBondContact OD1-CG 3.5Å; D115-K123 WeakPolarHBondContact OD2-CE 3.27Å; D115-K123 IonicContact OD2-NZ 3.76Å; K123-S125 PolarHBondContact O-N 2.92Å
124P70.4Confident74.8Confident30 Ų30113.9 Ų113.920%0.19555%0.545CS..PPolyproline II helixtrans-56.3140176.226.3-36.3000109.4F114 K126 L128F114-P124 HydrophobicContact CB-CG 4.07Å; F114-P124 WeakPolarHBondContact O-CD 3.46Å; F114-P124 VanDerWaalsContact O-CG 3.31Å; F114-P124 WeakPolarHBondContact O-CG 3Å; P124-K126 PolarHBondContact O-N 3.04Å; P124-L128 HydrophobicContact CB-CD2 4.18Å
125S81.7Confident75.4Confident70 Ų70118.3 Ų118.349%0.4956%0.56SS.*PPolyproline II helixtrans-57.5146.3178.285.60000109.8K123 K127 L128 K129K123-S125 PolarHBondContact O-N 2.92Å; S125-K127 PolarHBondContact O-N 2.92Å; S125-K127 PolarHBondContact OG-N 2.99Å; S125-L128 WeakPolarHBondContact O-CA 2.98Å; S125-L128 PolarHBondContact O-N 2.96Å; S125-L128 PolarHBondContact OG-N 3.39Å; S125-L128 VanDerWaalsContact OG-N 3.09Å; S125-K129 PolarHBondContact O-N 3.11Å
126K85.9Confident76.3Confident196 Ų196116.1 Ų116.185%0.85255%0.549SS*.Hα-helixtrans-51.3-33.8177.3-66.8-178.1179.2179.10112.2P124 R130P124-K126 PolarHBondContact O-N 3.04Å; K126-R130 WeakPolarHBondContact O-CB 3.14Å; K126-R130 PolarHBondContact O-N 3.24Å; K126-R130 VanDerWaalsContact O-N 3.1Å
127K86.6Confident77.7Confident134 Ų134113.5 Ų113.558%0.58353%0.529SS*.Hα-helixtrans-68.9-43.9176.3-173178.3-179.5-179.90112.2S125 R130 R131S125-K127 PolarHBondContact O-N 2.92Å; S125-K127 PolarHBondContact OG-N 2.99Å; K127-R130 PolarHBondContact O-N 3Å; K127-R131 WeakPolarHBondContact O-CG 3.31Å; K127-R131 PolarHBondContact O-N 3.4Å
128L86.7Confident79Confident97 Ų97107.2 Ų107.251%0.50851%0.508SS..Hα-helixtrans-66.1-46.3177178.660.7000111P124 S125 R130 R131 L132P124-L128 HydrophobicContact CB-CD2 4.18Å; S125-L128 WeakPolarHBondContact O-CA 2.98Å; S125-L128 PolarHBondContact O-N 2.96Å; S125-L128 PolarHBondContact OG-N 3.39Å; S125-L128 VanDerWaalsContact OG-N 3.09Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 3.48Å; L128-R131 PolarHBondContact O-N 2.8Å; L128-R131 VanDerWaalsContact O-N 3.12Å; L128-L132 PolarHBondContact O-N 2.69Å
129K87.2Confident80.5Confident51 Ų51103.2 Ų103.222%0.22248%0.484CS..Hα-helixtrans-52.5-50174.2177.2171.2-177.8165.70111.1V112 D113 F114 S125 R131 L132 Q133V112-K129 VanDerWaalsContact O-CE 3.31Å; V112-K129 WeakPolarHBondContact O-CE 2.96Å; D113-K129 WeakPolarHBondContact OD1-CE 3.31Å; D113-K129 IonicContact OD1-NZ 2.74Å; D113-K129 PolarHBondContact OD1-NZ 3.11Å; D113-K129 IonicContact OD2-NZ 3.48Å; D113-K129 PolarHBondContact OD2-NZ 2.91Å; F114-K129 HydrophobicContact CD2-CG 4.18Å; F114-K129 HydrophobicContact CE2-CG 4.49Å; S125-K129 PolarHBondContact O-N 3.11Å; K129-R131 PolarHBondContact O-N 2.75Å; K129-L132 PolarHBondContact O-N 3.49Å; K129-Q133 WeakPolarHBondContact O-CG 3.43Å; K129-Q133 PolarHBondContact O-N 2.96Å
130R87.6Confident82Confident157 Ų157102.5 Ų102.559%0.59247%0.468SS*.Hα-helixtrans-61.8-41.8178.3-170.8173.574.8165.93.4112.7K126 K127 L128 L132 Q133 Q134K126-R130 WeakPolarHBondContact O-CB 3.14Å; K126-R130 PolarHBondContact O-N 3.24Å; K126-R130 VanDerWaalsContact O-N 3.1Å; K127-R130 PolarHBondContact O-N 3Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 3.48Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-Q133 PolarHBondContact O-N 3.02Å; R130-Q134 WeakPolarHBondContact O-CB 3.32Å; R130-Q134 VanDerWaalsContact O-CG 3.32Å; R130-Q134 WeakPolarHBondContact O-CG 3.49Å; R130-Q134 PolarHBondContact O-N 2.76Å
131R88.8Confident83.6Confident159 Ų15994.4 Ų94.460%0.643%0.433SS*.Hα-helixtrans-63.9-40.5177.3-77.2-173.8174.9-144.3-2.9112K127 L128 K129 Q134 W135K127-R131 WeakPolarHBondContact O-CG 3.31Å; K127-R131 PolarHBondContact O-N 3.4Å; L128-R131 PolarHBondContact O-N 2.8Å; L128-R131 VanDerWaalsContact O-N 3.12Å; K129-R131 PolarHBondContact O-N 2.75Å; R131-Q134 PolarHBondContact O-N 3.09Å; R131-W135 WeakPolarHBondContact O-CB 3.05Å; R131-W135 PolarHBondContact O-N 3.16Å
132L89.2Confident85.1Confident58 Ų5885.9 Ų85.930%0.30440%0.397SS..Hα-helixtrans-70.9-37.6179.3-168.857.4000111.9F114 L128 K129 R130 W135 L136F114-L132 HydrophobicContact CB-CD2 4.26Å; F114-L132 HydrophobicContact CD1-CD2 3.28Å; F114-L132 HydrophobicContact CD1-CG 4.12Å; F114-L132 HydrophobicContact CD2-CB 4.22Å; F114-L132 HydrophobicContact CD2-CD2 3.66Å; F114-L132 HydrophobicContact CD2-CG 4.19Å; F114-L132 HydrophobicContact CE1-CD2 3.28Å; F114-L132 HydrophobicContact CE1-CG 3.6Å; F114-L132 HydrophobicContact CE2-CB 3.7Å; F114-L132 HydrophobicContact CE2-CD2 3.66Å; F114-L132 HydrophobicContact CE2-CG 3.68Å; F114-L132 HydrophobicContact CG-CD2 3.47Å; F114-L132 VanDerWaalsContact CG-CD2 3.47Å; F114-L132 HydrophobicContact CG-CG 4.39Å; F114-L132 HydrophobicContact CZ-CB 3.88Å; F114-L132 HydrophobicContact CZ-CD2 3.48Å; F114-L132 VanDerWaalsContact CZ-CD2 3.48Å; F114-L132 HydrophobicContact CZ-CG 3.35Å; L128-L132 PolarHBondContact O-N 2.69Å; K129-L132 PolarHBondContact O-N 3.49Å; R130-L132 VanDerWaalsContact C-N 3.35Å; L132-W135 HydrophobicContact CD1-CE3 3.87Å; L132-W135 HydrophobicContact CD1-CZ3 4.46Å; L132-W135 PolarHBondContact O-N 3.45Å; L132-L136 WeakPolarHBondContact O-CB 3.46Å; L132-L136 WeakPolarHBondContact O-CG 3.26Å; L132-L136 PolarHBondContact O-N 2.99Å
133Q90.3Very high86.6Confident19 Ų1978.4 Ų78.49%0.08936%0.363CS..Hα-helixtrans-60.6-43.9170.1-71.9178.2-27.400111.9L105 I109 R110 V112 F114 K129 R130 L136 W137L105-Q133 HydrophobicContact CD2-CB 4.42Å; I109-Q133 HydrophobicContact CG2-CB 4.05Å; I109-Q133 HydrophobicContact CG2-CG 4.32Å; I109-Q133 WeakPolarHBondContact CG2-O 3.39Å; I109-Q133 PolarHBondContact O-NE2 2.79Å; R110-Q133 PolarHBondContact O-NE2 3.48Å; V112-Q133 PolarHBondContact O-NE2 3.21Å; F114-Q133 HydrophobicContact CE2-CG 3.96Å; K129-Q133 WeakPolarHBondContact O-CG 3.43Å; K129-Q133 PolarHBondContact O-N 2.96Å; R130-Q133 PolarHBondContact O-N 3.02Å; Q133-L136 PolarHBondContact O-N 3.22Å; Q133-W137 WeakPolarHBondContact O-CB 3.5Å; Q133-W137 PolarHBondContact O-N 3.39Å
134Q88.9Confident87.8Confident101 Ų10173.2 Ų73.247%0.47234%0.344SS..Hα-helixtrans-65.1-40.8176.6-75174.5-25.700112.1R130 R131 W137 A138R130-Q134 WeakPolarHBondContact O-CB 3.32Å; R130-Q134 VanDerWaalsContact O-CG 3.32Å; R130-Q134 WeakPolarHBondContact O-CG 3.49Å; R130-Q134 PolarHBondContact O-N 2.76Å; R131-Q134 PolarHBondContact O-N 3.09Å; Q134-W137 PolarHBondContact O-N 3.49Å; Q134-A138 WeakPolarHBondContact O-CB 3.4Å; Q134-A138 PolarHBondContact O-N 2.91Å
135W89.4Confident88.9Confident134 Ų13473.9 Ų73.951%0.50835%0.347SS..Hα-helixtrans-62.8-48.7175.4176.582.8000111.7R131 L132 W137 A138 Y139 V173R131-W135 WeakPolarHBondContact O-CB 3.05Å; R131-W135 PolarHBondContact O-N 3.16Å; L132-W135 HydrophobicContact CD1-CE3 3.87Å; L132-W135 HydrophobicContact CD1-CZ3 4.46Å; L132-W135 PolarHBondContact O-N 3.45Å; W135-W137 VanDerWaalsContact C-N 3.25Å; W135-W137 PolarHBondContact O-N 2.96Å; W135-A138 PolarHBondContact O-N 3.19Å; W135-Y139 HydrophobicContact CZ2-CD2 4.44Å; W135-Y139 WeakPolarHBondContact O-CB 3.34Å; W135-Y139 PolarHBondContact O-N 2.82Å; W135-V173 HydrophobicContact CH2-CG2 4.18Å
136L89.9Confident89.3Confident34 Ų3474.5 Ų74.518%0.17834%0.342CS..Hα-helixtrans-58.1-40.6175.4-79.7178.4000111.6I109 F114 L132 Q133 Y139 T140I109-L136 HydrophobicContact CG2-CB 4.23Å; F114-L136 HydrophobicContact CE1-CD1 3.89Å; F114-L136 HydrophobicContact CZ-CD1 3.58Å; L132-L136 WeakPolarHBondContact O-CB 3.46Å; L132-L136 WeakPolarHBondContact O-CG 3.26Å; L132-L136 PolarHBondContact O-N 2.99Å; Q133-L136 PolarHBondContact O-N 3.22Å; L136-Y139 PolarHBondContact O-N 2.83Å; L136-T140 WeakPolarHBondContact O-CB 3.46Å; L136-T140 VanDerWaalsContact O-CG2 3.25Å; L136-T140 WeakPolarHBondContact O-CG2 3.33Å; L136-T140 PolarHBondContact O-N 3.4Å; L136-T140 PolarHBondContact O-OG1 2.77Å
137W89.8Confident89.6Confident38 Ų3868.4 Ų68.414%0.14432%0.321CS..Hα-helixtrans-66.4-48.6178.1-177.333.7000111.5A101 G103 L105 I109 Q133 Q134 W135 Y139 T140 F141A101-W137 HydrophobicContact CB-CD2 3.56Å; A101-W137 VanDerWaalsContact CB-CE2 3.42Å; A101-W137 HydrophobicContact CB-CE3 3.86Å; A101-W137 HydrophobicContact CB-CG 4.08Å; A101-W137 HydrophobicContact CB-CH2 3.93Å; A101-W137 HydrophobicContact CB-CZ2 3.63Å; A101-W137 HydrophobicContact CB-CZ3 4.04Å; A101-W137 WeakPolarHBondContact O-CH2 3.39Å; A101-W137 WeakPolarHBondContact O-CZ2 3.49Å; A101-W137 WeakPolarHBondContact O-CZ3 3.4Å; G103-W137 WeakPolarHBondContact O-CH2 3.47Å; L105-W137 HydrophobicContact CD1-CB 3.7Å; L105-W137 HydrophobicContact CD1-CD2 3.9Å; L105-W137 HydrophobicContact CD1-CE3 4.01Å; L105-W137 HydrophobicContact CD1-CG 3.8Å; I109-W137 HydrophobicContact CD1-CB 3.86Å; I109-W137 HydrophobicContact CD1-CG 4.31Å; Q133-W137 WeakPolarHBondContact O-CB 3.5Å; Q133-W137 PolarHBondContact O-N 3.39Å; Q134-W137 PolarHBondContact O-N 3.49Å; W135-W137 VanDerWaalsContact C-N 3.25Å; W135-W137 PolarHBondContact O-N 2.96Å; W137-Y139 PolarHBondContact O-N 2.81Å; W137-T140 PolarHBondContact O-N 3.34Å; W137-F141 AromaticContact NE1-CD2 3.79Å; W137-F141 WeakPolarHBondContact O-CA 3.32Å; W137-F141 WeakPolarHBondContact O-CB 3.18Å; W137-F141 PolarHBondContact O-N 2.86Å
138A87.6Confident89.9Confident49 Ų4964.3 Ų64.341%0.40530%0.302SS..Hα-helixtrans-59.5-34.4176.700000112.7Q134 W135Q134-A138 WeakPolarHBondContact O-CB 3.4Å; Q134-A138 PolarHBondContact O-N 2.91Å; W135-A138 PolarHBondContact O-N 3.19Å
139Y88.2Confident90.2Very high60 Ų6061.3 Ų61.324%0.23529%0.288CS..Hα-helixtrans-75.2-44.1179.2-170.7-90.5000113.1W135 L136 W137 S172 V173W135-Y139 HydrophobicContact CZ2-CD2 4.44Å; W135-Y139 WeakPolarHBondContact O-CB 3.34Å; W135-Y139 PolarHBondContact O-N 2.82Å; L136-Y139 PolarHBondContact O-N 2.83Å; W137-Y139 PolarHBondContact O-N 2.81Å; Y139-S172 WeakPolarHBondContact CE1-O 3.35Å; Y139-V173 HydrophobicContact CD1-CG2 3.79Å; Y139-V173 HydrophobicContact CE1-CG2 3.47Å; Y139-V173 VanDerWaalsContact CE1-CG2 3.47Å
140T90.7Very high90.6Very high42 Ų4262 Ų6226%0.25829%0.294SS..Hα-helixtrans-90.4-10.6-174.662.30000113.9L136 W137 C171L136-T140 WeakPolarHBondContact O-CB 3.46Å; L136-T140 VanDerWaalsContact O-CG2 3.25Å; L136-T140 WeakPolarHBondContact O-CG2 3.33Å; L136-T140 PolarHBondContact O-N 3.4Å; L136-T140 PolarHBondContact O-OG1 2.77Å; W137-T140 PolarHBondContact O-N 3.34Å; T140-C171 VanDerWaalsContact CA-O 3.32Å; T140-C171 WeakPolarHBondContact CA-O 3.22Å; T140-C171 WeakPolarHBondContact CB-O 3.41Å; T140-C171 VanDerWaalsContact CG2-O 3.26Å; T140-C171 WeakPolarHBondContact CG2-O 3.27Å
141F89.9Confident90.9Very high51 Ų5155.8 Ų55.822%0.22427%0.272CS..  trans-68132.2179.6177.5-105.9000111.9A101 W137 P143A101-F141 HydrophobicContact CB-CB 3.97Å; A101-F141 HydrophobicContact CB-CD1 3.98Å; A101-F141 HydrophobicContact CB-CD2 4.33Å; A101-F141 HydrophobicContact CB-CG 3.84Å; W137-F141 AromaticContact NE1-CD2 3.79Å; W137-F141 WeakPolarHBondContact O-CA 3.32Å; W137-F141 WeakPolarHBondContact O-CB 3.18Å; W137-F141 PolarHBondContact O-N 2.86Å; F141-P143 HydrophobicContact CE1-CB 3.87Å
142C92.4Very high91.1Very high8 Ų849.2 Ų49.25%0.05426%0.255CS..  trans-113.5101.2179.7-68.40000109.4C179 C216 C218C142-C179 WeakPolarHBondContact CA-SG 3.38Å; C142-C179 HydrophobicContact CB-CB 3.58Å; C142-C179 WeakPolarHBondContact CB-SG 3.3Å; C142-C179 WeakPolarHBondContact SG-CA 3.47Å; C142-C179 WeakPolarHBondContact SG-CB 3.3Å; C142-C179 CovalentContact SG-SG 2.03Å; C142-C179 PolarHBondContact SG-SG 3.08Å; C142-C216 HydrophobicContact CB-CB 3.66Å; C142-C218 PolarHBondContact SG-N 2.8Å
143P91.1Very high91.4Very high14 Ų1449.3 Ų49.39%0.09126%0.259CS..PPolyproline II helixtrans-71.1157.8175.935.3-41.5000111.4L99 F141L99-P143 HydrophobicContact CD2-CG 3.53Å; F141-P143 HydrophobicContact CE1-CB 3.87Å
144V92Very high91.7Very high36 Ų3649.3 Ų49.322%0.21826%0.259CS..EExtended strand (participates in β ladder)trans-98.2118.6166.3179.30000107.8T214 C216V144-T214 WeakPolarHBondContact CG2-O 3.41Å; V144-C216 HydrophobicContact CG2-CB 4.34Å; V144-C216 VanDerWaalsContact CG2-SG 3.6Å
145V92.1Very high92.1Very high44 Ų4445.3 Ų45.327%0.26724%0.24SC..EExtended strand (participates in β ladder)trans-93.2131.5174.1179.70000107.8T147 G163 G164 V166V145-T147 HydrophobicContact CG1-CG2 4.47Å; V145-G163 CarbonylContact O-C 3.59Å; V145-G163 WeakPolarHBondContact O-CA 3.46Å; V145-G164 PolarHBondContact N-O 2.82Å; V145-G164 PolarHBondContact O-N 3.45Å; V145-V166 HydrophobicContact CG2-CG2 3.53Å
146H91.1Very high92.5Very high83 Ų8339.5 Ų39.538%0.38422%0.218SC..EExtended strand (participates in β ladder)trans-101.6134.2-179.6-67.978.1000110.3R161 V162H146-R161 HydrophobicContact CB-CG 4.12Å; H146-V162 WeakPolarHBondContact CA-O 3.35Å
147T92Very high92.8Very high68 Ų6837.9 Ų37.942%0.41721%0.209SC..EExtended strand (participates in β ladder)trans-137.3148.517854.70000110.3V145 R161 V162V145-T147 HydrophobicContact CG1-CG2 4.47Å; T147-R161 WeakPolarHBondContact O-CA 3.12Å; T147-V162 PolarHBondContact N-O 3.08Å; T147-V162 PolarHBondContact O-N 2.79Å
148W93.3Very high93.1Very high48 Ų4840.8 Ų40.818%0.18222%0.22CC..EExtended strand (participates in β ladder)trans-79.5126.9170.5-68.998.1000110.7L81 P82 E84 R161L81-W148 HydrophobicContact CD1-CB 4.41Å; P82-W148 HydrophobicContact CB-CZ2 4.38Å; P82-W148 HydrophobicContact CG-CD2 3.72Å; P82-W148 HydrophobicContact CG-CE3 4.06Å; P82-W148 HydrophobicContact CG-CG 4.24Å; P82-W148 HydrophobicContact CG-CH2 4.04Å; P82-W148 HydrophobicContact CG-CZ2 3.72Å; P82-W148 HydrophobicContact CG-CZ3 4.21Å; E84-W148 PolarHBondContact OE1-NE1 3.19Å; W148-R161 HydrophobicContact CD2-CB 4.1Å; W148-R161 HydrophobicContact CD2-CG 4.37Å; W148-R161 HydrophobicContact CE3-CB 3.96Å; W148-R161 HydrophobicContact CH2-CB 4.01Å; W148-R161 HydrophobicContact CZ2-CB 4.11Å; W148-R161 HydrophobicContact CZ2-CG 4.4Å; W148-R161 HydrophobicContact CZ3-CB 3.92Å
149T92.9Very high93.5Very high34 Ų3439.9 Ų39.921%0.20921%0.206CC..EExtended strand (participates in β ladder)trans-112.1136.3176-63.50000109.7L151 Y159 V160 V162T149-L151 HydrophobicContact CG2-CD2 4.24Å; T149-Y159 WeakPolarHBondContact O-CA 3.15Å; T149-V160 PolarHBondContact N-O 2.85Å; T149-V160 PolarHBondContact O-N 2.71Å; T149-V162 WeakPolarHBondContact OG1-CG2 3.37Å
150D94.7Very high93.8Very high64 Ų6437 Ų3734%0.34220%0.195SC..EExtended strand (participates in β ladder)trans-88.8113.9174.1-173-10.1000109.9G152 R158 Y159D150-G152 VanDerWaalsContact C-N 3.34Å; D150-G152 WeakPolarHBondContact OD1-CA 3.34Å; D150-G152 PolarHBondContact OD1-N 3.4Å; D150-R158 VanDerWaalsContact CG-NE 3.3Å; D150-R158 WeakPolarHBondContact OD1-CG 3.35Å; D150-R158 IonicContact OD1-CZ 3.62Å; D150-R158 IonicContact OD1-NE 2.75Å; D150-R158 PolarHBondContact OD1-NE 3.02Å; D150-R158 IonicContact OD1-NH2 3.63Å; D150-R158 IonicContact OD2-CZ 3.27Å; D150-R158 VanDerWaalsContact OD2-CZ 3.27Å; D150-R158 IonicContact OD2-NE 3.11Å; D150-R158 PolarHBondContact OD2-NE 3.14Å; D150-R158 VanDerWaalsContact OD2-NE 3.11Å; D150-R158 IonicContact OD2-NH2 2.69Å; D150-R158 PolarHBondContact OD2-NH2 3.19Å; D150-Y159 HydrophobicContact CB-CD1 3.97Å; D150-Y159 HydrophobicContact CB-CE1 3.67Å
151L94.3Very high94Very high27 Ų2739.1 Ų39.114%0.14120%0.198CC..  trans-85-9.1177.6-59.8-175000113T149 F155 R158 V160 Y210T149-L151 HydrophobicContact CG2-CD2 4.24Å; L151-F155 HydrophobicContact CB-CB 3.61Å; L151-F155 HydrophobicContact CB-CD1 4.46Å; L151-F155 HydrophobicContact CB-CD2 3.7Å; L151-F155 HydrophobicContact CB-CE2 4.4Å; L151-F155 HydrophobicContact CB-CG 3.69Å; L151-F155 HydrophobicContact CD1-CB 4.17Å; L151-F155 HydrophobicContact CD1-CD1 4.02Å; L151-F155 HydrophobicContact CD1-CG 4.05Å; L151-F155 VanDerWaalsContact O-CD2 3.24Å; L151-F155 WeakPolarHBondContact O-CD2 3.48Å; L151-R158 PolarHBondContact N-O 3.19Å; L151-V160 HydrophobicContact CD1-CB 4.31Å; L151-V160 HydrophobicContact CD1-CG2 3.5Å; L151-V160 HydrophobicContact CG-CG2 4.15Å; L151-Y210 HydrophobicContact CD1-CD2 4.17Å; L151-Y210 HydrophobicContact CD1-CE2 4.16Å; L151-Y210 HydrophobicContact CD2-CD2 4.48Å; L151-Y210 HydrophobicContact CD2-CE2 3.67Å
152G94.3Very high94.1Very high22 Ų2237.7 Ų37.723%0.22719%0.194CC..  trans89.6178-179.700000114.9D150 R154 F155D150-G152 VanDerWaalsContact C-N 3.34Å; D150-G152 WeakPolarHBondContact OD1-CA 3.34Å; D150-G152 PolarHBondContact OD1-N 3.4Å; G152-R154 PolarHBondContact O-N 2.72Å; G152-F155 PolarHBondContact O-N 3.36Å; G152-F155 VanDerWaalsContact O-N 3.16Å
153C94.9Very high94.1Very high60 Ų6037.7 Ų37.741%0.40520%0.195SC..THydrogen-bonded Turntrans-67.1-19.3-173.260.50000114.6P55 F155P55-C153 VanDerWaalsContact CG-O 3.22Å; P55-C153 WeakPolarHBondContact CG-O 3.46Å; C153-F155 PolarHBondContact O-N 2.94Å
154R96.8Very high94.2Very high19 Ų1938.2 Ų38.27%0.07220%0.203CC..THydrogen-bonded Turntrans-83.81.9177.5-62-177.6-174.2165.16.2112.8E47 D48 D50 D54 G152 R191 W192 W205E47-R154 WeakPolarHBondContact OE2-CD 3.44Å; E47-R154 IonicContact OE2-CZ 2.78Å; E47-R154 IonicContact OE2-NE 3.23Å; E47-R154 IonicContact OE2-NH1 3.73Å; E47-R154 PolarHBondContact OE2-NH1 3.38Å; D48-R154 VanDerWaalsContact O-CZ 3.3Å; D48-R154 PolarHBondContact O-NH1 2.78Å; D48-R154 VanDerWaalsContact O-NH1 3.1Å; D48-R154 PolarHBondContact O-NH2 3.06Å; D50-R154 PolarHBondContact O-NH2 2.67Å; D54-R154 IonicContact OD1-CZ 2.71Å; D54-R154 VanDerWaalsContact OD1-CZ 3.23Å; D54-R154 IonicContact OD1-NE 2.85Å; D54-R154 PolarHBondContact OD1-NE 2.67Å; D54-R154 IonicContact OD1-NH2 2.79Å; D54-R154 PolarHBondContact OD1-NH2 3.03Å; G152-R154 PolarHBondContact O-N 2.72Å; R154-R191 WeakPolarHBondContact O-CA 3.36Å; R154-R191 WeakPolarHBondContact O-CD 3.46Å; R154-W192 HydrophobicContact CB-CB 4.19Å; R154-W192 PolarHBondContact O-N 2.95Å; R154-W205 WeakPolarHBondContact O-CZ3 3.28Å
155F97Very high94.3Very high17 Ų1738 Ų388%0.07520%0.202CC..EExtended strand (participates in β ladder)trans-119.6145.2173.3-75.3-89.7000110.8L45 L151 G152 C153 V189 L190 R191 V208L45-F155 HydrophobicContact CD1-CE2 4.08Å; L45-F155 HydrophobicContact CD1-CZ 3.81Å; L151-F155 HydrophobicContact CB-CB 3.61Å; L151-F155 HydrophobicContact CB-CD1 4.46Å; L151-F155 HydrophobicContact CB-CD2 3.7Å; L151-F155 HydrophobicContact CB-CE2 4.4Å; L151-F155 HydrophobicContact CB-CG 3.69Å; L151-F155 HydrophobicContact CD1-CB 4.17Å; L151-F155 HydrophobicContact CD1-CD1 4.02Å; L151-F155 HydrophobicContact CD1-CG 4.05Å; L151-F155 VanDerWaalsContact O-CD2 3.24Å; L151-F155 WeakPolarHBondContact O-CD2 3.48Å; G152-F155 PolarHBondContact O-N 3.36Å; G152-F155 VanDerWaalsContact O-N 3.16Å; C153-F155 PolarHBondContact O-N 2.94Å; F155-V189 HydrophobicContact CD1-CG2 3.9Å; F155-V189 HydrophobicContact CE1-CG2 4.21Å; F155-L190 CarbonylContact C-O 3.53Å; F155-L190 VanDerWaalsContact CA-O 3.28Å; F155-L190 WeakPolarHBondContact CA-O 3.49Å; F155-R191 HydrophobicContact CD1-CB 4.48Å; F155-R191 HydrophobicContact CE1-CB 4.27Å; F155-V208 HydrophobicContact CE1-CG2 4.23Å
156W97.4Very high94.2Very high12 Ų1236.8 Ų36.85%0.04520%0.195CC..EExtended strand (participates in β ladder)trans-141.9128.7174.2-169.799000110.3E62 L65 R66 L69 V79 L190 W205E62-W156 HydrophobicContact CB-CZ2 4.38Å; E62-W156 HydrophobicContact CG-CZ2 4.37Å; L65-W156 HydrophobicContact CB-CD2 3.63Å; L65-W156 HydrophobicContact CB-CE3 3.57Å; L65-W156 HydrophobicContact CB-CG 4.4Å; L65-W156 HydrophobicContact CB-CH2 3.76Å; L65-W156 HydrophobicContact CB-CZ2 3.77Å; L65-W156 HydrophobicContact CB-CZ3 3.63Å; L65-W156 HydrophobicContact CD1-CB 4.37Å; L65-W156 VanDerWaalsContact CD1-CD1 3.5Å; L65-W156 HydrophobicContact CD1-CD2 3.69Å; L65-W156 HydrophobicContact CD1-CE3 4.45Å; L65-W156 HydrophobicContact CD1-CG 3.61Å; L65-W156 HydrophobicContact CD1-CZ2 4.45Å; L65-W156 HydrophobicContact CG-CD2 4.23Å; R66-W156 HydrophobicContact CB-CH2 4.33Å; R66-W156 HydrophobicContact CG-CH2 3.54Å; R66-W156 HydrophobicContact CG-CZ2 4.26Å; R66-W156 HydrophobicContact CG-CZ3 4.48Å; L69-W156 HydrophobicContact CB-CZ3 4.12Å; L69-W156 HydrophobicContact CD2-CZ3 3.89Å; V79-W156 HydrophobicContact CG2-CZ2 4.04Å; W156-L190 HydrophobicContact CB-CB 4.33Å; W156-L190 HydrophobicContact CE3-CD1 3.75Å; W156-L190 HydrophobicContact CE3-CG 4.19Å; W156-L190 HydrophobicContact CZ3-CD1 4.32Å; W156-L190 PolarHBondContact N-O 3.49Å; W156-L190 WeakPolarHBondContact O-CA 3.44Å; W156-L190 VanDerWaalsContact O-CB 3.31Å; W156-L190 WeakPolarHBondContact O-CB 3.36Å; W156-L190 PolarHBondContact O-N 3.34Å; W156-W205 HydrophobicContact CB-CE3 4.23Å; W156-W205 HydrophobicContact CB-CH2 3.74Å; W156-W205 HydrophobicContact CB-CZ2 4.33Å; W156-W205 HydrophobicContact CB-CZ3 3.68Å
157P96.6Very high94.1Very high0 Ų036.4 Ų36.40%020%0.202CC..SBendcis-62.9145.6-7.4-20.836.2000111.5L69 F72 L77 S78 V79 Y159L69-P157 HydrophobicContact CD2-CG 4.25Å; F72-P157 HydrophobicContact CD2-CG 3.93Å; F72-P157 HydrophobicContact CE2-CB 4.23Å; F72-P157 HydrophobicContact CE2-CG 3.46Å; F72-P157 VanDerWaalsContact CE2-CG 3.46Å; L77-P157 HydrophobicContact CB-CB 4.37Å; L77-P157 HydrophobicContact CB-CG 4.08Å; L77-P157 HydrophobicContact CD1-CG 4.47Å; S78-P157 VanDerWaalsContact O-CB 3.3Å; S78-P157 WeakPolarHBondContact O-CB 3.37Å; V79-P157 HydrophobicContact CG2-CB 4.29Å; P157-Y159 VanDerWaalsContact C-N 3.35Å; P157-Y159 PolarHBondContact O-N 3.1Å
158R95.8Very high93.8Very high99 Ų9940.7 Ų40.737%0.37422%0.215SC..SBendtrans-66.2-34.9-170.8175.3172.7176.4178-2.2113.2S78 D150 L151S78-R158 PolarHBondContact O-N 2.04Å; D150-R158 VanDerWaalsContact CG-NE 3.3Å; D150-R158 WeakPolarHBondContact OD1-CG 3.35Å; D150-R158 IonicContact OD1-CZ 3.62Å; D150-R158 IonicContact OD1-NE 2.75Å; D150-R158 PolarHBondContact OD1-NE 3.02Å; D150-R158 IonicContact OD1-NH2 3.63Å; D150-R158 IonicContact OD2-CZ 3.27Å; D150-R158 VanDerWaalsContact OD2-CZ 3.27Å; D150-R158 IonicContact OD2-NE 3.11Å; D150-R158 PolarHBondContact OD2-NE 3.14Å; D150-R158 VanDerWaalsContact OD2-NE 3.11Å; D150-R158 IonicContact OD2-NH2 2.69Å; D150-R158 PolarHBondContact OD2-NH2 3.19Å; L151-R158 PolarHBondContact N-O 3.19Å
159Y95.8Very high93.6Very high29 Ų2942.2 Ų42.211%0.11422%0.221CC..EExtended strand (participates in β ladder)trans-107.2130.8-175.2-59.2-86.9000110.7S78 V79 S80 L81 T149 D150 P157S78-Y159 PolarHBondContact N-O 2.03Å; S78-Y159 WeakPolarHBondContact O-CB 3.47Å; S78-Y159 PolarHBondContact O-N 3.49Å; V79-Y159 WeakPolarHBondContact O-CD2 3.32Å; V79-Y159 WeakPolarHBondContact O-CE2 3.26Å; S80-Y159 VanDerWaalsContact C-CE2 3.47Å; L81-Y159 HydrophobicContact CB-CD1 4.33Å; L81-Y159 HydrophobicContact CB-CE1 3.87Å; L81-Y159 HydrophobicContact CB-CE2 4.24Å; L81-Y159 HydrophobicContact CD1-CD1 3.78Å; L81-Y159 HydrophobicContact CD1-CE1 3.78Å; L81-Y159 HydrophobicContact CG-CE1 4.38Å; T149-Y159 WeakPolarHBondContact O-CA 3.15Å; D150-Y159 HydrophobicContact CB-CD1 3.97Å; D150-Y159 HydrophobicContact CB-CE1 3.67Å; P157-Y159 VanDerWaalsContact C-N 3.35Å; P157-Y159 PolarHBondContact O-N 3.1Å
160V95.1Very high93.5Very high0 Ų041.5 Ų41.50%022%0.217CC..EExtended strand (participates in β ladder)trans-125.1135.2179.1179.60000109.4L76 L77 T149 L151 V162 L187 V189 Y210 V212L76-V160 CarbonylContact O-C 3.57Å; L76-V160 WeakPolarHBondContact O-CA 3.09Å; L77-V160 HydrophobicContact CD2-CG1 4.27Å; L77-V160 HydrophobicContact CD2-CG2 3.85Å; T149-V160 PolarHBondContact N-O 2.85Å; T149-V160 PolarHBondContact O-N 2.71Å; L151-V160 HydrophobicContact CD1-CB 4.31Å; L151-V160 HydrophobicContact CD1-CG2 3.5Å; L151-V160 HydrophobicContact CG-CG2 4.15Å; V160-V162 HydrophobicContact CB-CG1 4.49Å; V160-V162 HydrophobicContact CG1-CG1 4.08Å; V160-V162 PolarHBondContact O-N 2.91Å; V160-L187 HydrophobicContact CG1-CD1 3.53Å; V160-V189 HydrophobicContact CG2-CG1 4.04Å; V160-Y210 HydrophobicContact CG1-CD1 4.4Å; V160-V212 HydrophobicContact CG1-CG1 4.33Å
161R94Very high93.4Very high87 Ų8738.5 Ų38.533%0.32820%0.201SC..EExtended strand (participates in β ladder)trans-83.3107174.4-162.9177.7-172.6-176.92.1109.1R75 L76 H146 T147 W148R75-R161 WeakPolarHBondContact O-CD 3.41Å; L76-R161 HydrophobicContact CD2-CB 4.48Å; L76-R161 PolarHBondContact O-N 3.1Å; H146-R161 HydrophobicContact CB-CG 4.12Å; T147-R161 WeakPolarHBondContact O-CA 3.12Å; W148-R161 HydrophobicContact CD2-CB 4.1Å; W148-R161 HydrophobicContact CD2-CG 4.37Å; W148-R161 HydrophobicContact CE3-CB 3.96Å; W148-R161 HydrophobicContact CH2-CB 4.01Å; W148-R161 HydrophobicContact CZ2-CB 4.11Å; W148-R161 HydrophobicContact CZ2-CG 4.4Å; W148-R161 HydrophobicContact CZ3-CB 3.92Å
162V93.1Very high93.4Very high21 Ų2137.8 Ų37.813%0.12720%0.198CC..EExtended strand (participates in β ladder)trans-103.5143.5-178.1-56.40000110.6H146 T147 T149 V160 Y210 V212H146-V162 WeakPolarHBondContact CA-O 3.35Å; T147-V162 PolarHBondContact N-O 3.08Å; T147-V162 PolarHBondContact O-N 2.79Å; T149-V162 WeakPolarHBondContact OG1-CG2 3.37Å; V160-V162 HydrophobicContact CB-CG1 4.49Å; V160-V162 HydrophobicContact CG1-CG1 4.08Å; V160-V162 PolarHBondContact O-N 2.91Å; V162-Y210 HydrophobicContact CG1-CE1 3.93Å; V162-V212 HydrophobicContact CG1-CG1 4.13Å
163G92.6Very high93.2Very high7 Ų741 Ų417%0.07221%0.214CC..EExtended strand (participates in β ladder)trans-81.1147.3168.300000111.5V145 I213V145-G163 CarbonylContact O-C 3.59Å; V145-G163 WeakPolarHBondContact O-CA 3.46Å; G163-I213 WeakPolarHBondContact O-CB 3.48Å; G163-I213 VanDerWaalsContact O-CD1 3.3Å; G163-I213 WeakPolarHBondContact O-CD1 3.28Å
164G93.5Very high93.1Very high26 Ų2643.7 Ų43.727%0.26823%0.23SC..EExtended strand (participates in β ladder)trans-140149.6175.900000111.8V145V145-G164 PolarHBondContact N-O 2.82Å; V145-G164 PolarHBondContact O-N 3.45Å
165C93.1Very high92.9Very high30 Ų3050.2 Ų50.220%0.20326%0.261CS..EExtended strand (participates in β ladder)trans-98.6136.7178.2-560000111S167 C179 P181 C216C165-S167 PolarHBondContact O-N 2.88Å; C165-C179 HydrophobicContact CB-CB 4.42Å; C165-P181 VanDerWaalsContact SG-N 3.37Å; C165-C216 WeakPolarHBondContact CA-SG 3.46Å; C165-C216 HydrophobicContact CB-CB 3.88Å; C165-C216 WeakPolarHBondContact CB-SG 3.36Å; C165-C216 WeakPolarHBondContact SG-CB 3.34Å; C165-C216 CovalentContact SG-SG 2.03Å; C165-C216 PolarHBondContact SG-SG 3.43Å
166V89.6Confident92.6Very high19 Ų1952 Ų5212%0.11528%0.284CS..  trans-83109.9177.6179.60000110.3H95 V145 K168 C179H95-V166 WeakPolarHBondContact NE2-CG1 3.35Å; H95-V166 WeakPolarHBondContact NE2-CG2 3.31Å; V145-V166 HydrophobicContact CG2-CG2 3.53Å; V166-K168 HydrophobicContact CG1-CB 4.48Å; V166-C179 VanDerWaalsContact O-CB 3.32Å; V166-C179 WeakPolarHBondContact O-CB 3.24Å
167S88.5Confident92.5Very high75 Ų7554 Ų5452%0.52430%0.295SS..  trans-107.516.2-177.863.50000114.5C165 R169C165-S167 PolarHBondContact O-N 2.88Å; S167-R169 VanDerWaalsContact C-N 3.29Å; S167-R169 PolarHBondContact O-N 3.35Å
168K87Confident92.4Very high159 Ų15956 Ų5669%0.69131%0.307SS*.SBendtrans-70.9-16.8-176.9-66.8-173.5178.1-175.50114.4V166V166-K168 HydrophobicContact CG1-CB 4.48Å
169R88.4Confident92.3Very high80 Ų8051.8 Ų51.830%0.30229%0.292SS..SBendtrans-134.6160.9-179.568.9164.5-176.6-99.81.9112.1S167S167-R169 VanDerWaalsContact C-N 3.29Å; S167-R169 PolarHBondContact O-N 3.35Å
170S91.8Very high92.2Very high18 Ų1854.1 Ų54.113%0.12630%0.301CS..  trans-65.9137.3167-179.60000110.6S172 E175 G176 M177S170-S172 PolarHBondContact OG-N 3.13Å; S170-S172 PolarHBondContact OG-O 3.45Å; S170-S172 PolarHBondContact OG-OG 3.05Å; S170-E175 WeakPolarHBondContact OG-CA 3.45Å; S170-G176 PolarHBondContact OG-N 3.43Å; S170-M177 CarbonylContact C-O 3.12Å; S170-M177 VanDerWaalsContact CA-O 3.26Å; S170-M177 WeakPolarHBondContact CA-O 3.42Å; S170-M177 PolarHBondContact OG-O 2.99Å
171C92.9Very high92.2Very high2 Ų256.3 Ų56.31%0.01432%0.315CS..  trans-102.95.7172.2580000112.3T140 M177 V178 C218T140-C171 VanDerWaalsContact CA-O 3.32Å; T140-C171 WeakPolarHBondContact CA-O 3.22Å; T140-C171 WeakPolarHBondContact CB-O 3.41Å; T140-C171 VanDerWaalsContact CG2-O 3.26Å; T140-C171 WeakPolarHBondContact CG2-O 3.27Å; C171-M177 PolarHBondContact N-O 3.5Å; C171-M177 VanDerWaalsContact SG-C 3.5Å; C171-M177 PolarHBondContact SG-O 2.95Å; C171-M177 VanDerWaalsContact SG-O 3.36Å; C171-V178 VanDerWaalsContact SG-CA 3.54Å; C171-C218 HydrophobicContact CB-CB 3.78Å; C171-C218 WeakPolarHBondContact CB-SG 3.38Å; C171-C218 PolarHBondContact O-SG 2.73Å; C171-C218 WeakPolarHBondContact SG-CA 3.5Å; C171-C218 WeakPolarHBondContact SG-CB 3.45Å; C171-C218 CovalentContact SG-SG 2.03Å; C171-C218 PolarHBondContact SG-SG 3.05Å
172S93.2Very high92.2Very high12 Ų1254 Ų548%0.08432%0.315CS..SBendtrans-121.4159.2-179.163.90000114.1Y139 S170 P174 G176 M177Y139-S172 WeakPolarHBondContact CE1-O 3.35Å; S170-S172 PolarHBondContact OG-N 3.13Å; S170-S172 PolarHBondContact OG-O 3.45Å; S170-S172 PolarHBondContact OG-OG 3.05Å; S172-P174 CarbonylContact C-O 3.57Å; S172-P174 WeakPolarHBondContact CB-O 3.44Å; S172-P174 CarbonylContact O-C 3.38Å; S172-P174 VanDerWaalsContact O-O 3.12Å; S172-P174 PolarHBondContact OG-O 2.98Å; S172-G176 PolarHBondContact OG-N 3.43Å; S172-M177 VanDerWaalsContact CB-SD 3.54Å; S172-M177 WeakPolarHBondContact OG-CB 3.28Å; S172-M177 WeakPolarHBondContact OG-CG 3.49Å; S172-M177 PolarHBondContact OG-N 3.38Å
173V90.8Very high92.3Very high90 Ų9056.9 Ų56.955%0.54533%0.329SS..SBendtrans-123.1119.6170.1-1760000108.5W135 Y139W135-V173 HydrophobicContact CH2-CG2 4.18Å; Y139-V173 HydrophobicContact CD1-CG2 3.79Å; Y139-V173 HydrophobicContact CE1-CG2 3.47Å; Y139-V173 VanDerWaalsContact CE1-CG2 3.47Å
174P91.7Very high92.4Very high115 Ų11559.2 Ų59.275%0.74735%0.345SS*.SBendcis-63.4169.2-7.931-36000111.9S172S172-P174 CarbonylContact C-O 3.57Å; S172-P174 WeakPolarHBondContact CB-O 3.44Å; S172-P174 CarbonylContact O-C 3.38Å; S172-P174 VanDerWaalsContact O-O 3.12Å; S172-P174 PolarHBondContact OG-O 2.98Å
175E92.5Very high92.4Very high156 Ų15661.2 Ų61.273%0.72935%0.352SS*.SBendtrans-62.4143.5-178.2-62-171160.500112.4S170S170-E175 WeakPolarHBondContact OG-CA 3.45Å
176G91.7Very high92.5Very high54 Ų5464.7 Ų64.756%0.55737%0.365SS*.  trans157.8-21.5175.300000115.9S170 S172S170-G176 PolarHBondContact OG-N 3.43Å; S172-G176 PolarHBondContact OG-N 3.43Å
177M94.6Very high92.8Very high56 Ų5664.7 Ų64.728%0.27636%0.364SS..EExtended strand (participates in β ladder)trans-98.8150.5177.1-56.817068.400110.9S170 C171 S172 C218 S219S170-M177 CarbonylContact C-O 3.12Å; S170-M177 VanDerWaalsContact CA-O 3.26Å; S170-M177 WeakPolarHBondContact CA-O 3.42Å; S170-M177 PolarHBondContact OG-O 2.99Å; C171-M177 PolarHBondContact N-O 3.5Å; C171-M177 VanDerWaalsContact SG-C 3.5Å; C171-M177 PolarHBondContact SG-O 2.95Å; C171-M177 VanDerWaalsContact SG-O 3.36Å; S172-M177 VanDerWaalsContact CB-SD 3.54Å; S172-M177 WeakPolarHBondContact OG-CB 3.28Å; S172-M177 WeakPolarHBondContact OG-CG 3.49Å; S172-M177 PolarHBondContact OG-N 3.38Å; M177-C218 WeakPolarHBondContact CB-SG 3.29Å; M177-C218 HydrophobicContact CE-CB 4.44Å; M177-C218 VanDerWaalsContact CE-O 3.31Å; M177-C218 WeakPolarHBondContact CE-O 3.34Å; M177-S219 WeakPolarHBondContact CA-O 3.32Å; M177-S219 WeakPolarHBondContact CB-O 3.22Å
178V94.8Very high93.2Very high41 Ų4163.4 Ų63.425%0.24835%0.353CS..EExtended strand (participates in β ladder)trans-127.2157.1177.7-64.80000111C171 R180 S219C171-V178 VanDerWaalsContact SG-CA 3.54Å; V178-R180 HydrophobicContact CG2-CG 4.14Å; V178-R180 PolarHBondContact O-N 3.44Å; V178-S219 PolarHBondContact N-O 3.39Å; V178-S219 PolarHBondContact O-N 3.09Å; V178-S219 VanDerWaalsContact O-O 3.11Å
179C94.3Very high93.7Very high10 Ų1055.9 Ų55.97%0.06832%0.321CS..EExtended strand (participates in β ladder)trans-69.2126.5175.6-66.10000110.6C142 C165 V166 K217C142-C179 WeakPolarHBondContact CA-SG 3.38Å; C142-C179 HydrophobicContact CB-CB 3.58Å; C142-C179 WeakPolarHBondContact CB-SG 3.3Å; C142-C179 WeakPolarHBondContact SG-CA 3.47Å; C142-C179 WeakPolarHBondContact SG-CB 3.3Å; C142-C179 CovalentContact SG-SG 2.03Å; C142-C179 PolarHBondContact SG-SG 3.08Å; C165-C179 HydrophobicContact CB-CB 4.42Å; V166-C179 VanDerWaalsContact O-CB 3.32Å; V166-C179 WeakPolarHBondContact O-CB 3.24Å; C179-K217 WeakPolarHBondContact CA-O 3.4Å
180R94.1Very high94.2Very high78 Ų7852 Ų5229%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-132.7159.5179.4-65.9-170.3169.5-173.3-20.7111.6V178 A182 C216 K217 S219 C220 S222V178-R180 HydrophobicContact CG2-CG 4.14Å; V178-R180 PolarHBondContact O-N 3.44Å; R180-A182 PolarHBondContact O-N 2.95Å; R180-C216 CarbonylContact O-C 3.56Å; R180-C216 VanDerWaalsContact O-CA 3.27Å; R180-C216 WeakPolarHBondContact O-CA 3.46Å; R180-K217 PolarHBondContact N-O 3.13Å; R180-K217 PolarHBondContact O-N 2.88Å; R180-S219 WeakPolarHBondContact CB-OG 3.33Å; R180-S219 WeakPolarHBondContact CD-OG 3.32Å; R180-C220 PolarHBondContact NH1-O 2.89Å; R180-S222 VanDerWaalsContact NH1-N 3.19Å; R180-S222 PolarHBondContact NH1-OG 2.93Å
181P95Very high94.5Very high47 Ų4753.3 Ų53.331%0.30531%0.308SS..EExtended strand (participates in β ladder)trans-56.6133174.3-25.736.9000111L40 C165 I213L40-P181 HydrophobicContact CB-CB 4Å; L40-P181 HydrophobicContact CB-CG 4.01Å; C165-P181 VanDerWaalsContact SG-N 3.37Å; P181-I213 HydrophobicContact CB-CD1 4.07Å; P181-I213 HydrophobicContact CB-CG1 4.07Å; P181-I213 HydrophobicContact CB-CG2 4.21Å; P181-I213 HydrophobicContact CG-CD1 3.58Å; P181-I213 HydrophobicContact CG-CG1 4.14Å
182A93.8Very high94.7Very high39 Ų3954 Ų5432%0.32231%0.311SS..EExtended strand (participates in β ladder)trans-117-38.2-179.800000112.6R180 D215 K217R180-A182 PolarHBondContact O-N 2.95Å; A182-D215 HydrophobicContact CB-CB 4.47Å; A182-D215 PolarHBondContact N-O 2.93Å; A182-K217 HydrophobicContact CB-CB 3.74Å; A182-K217 HydrophobicContact CB-CD 3.62Å; A182-K217 HydrophobicContact CB-CG 3.44Å; A182-K217 VanDerWaalsContact CB-CG 3.44Å
183N93.7Very high94.8Very high80 Ų8060.3 Ų60.343%0.42833%0.333SS..EExtended strand (participates in β ladder)trans-134.7155174.8-65.5-32.9000110.1T214 D215N183-T214 WeakPolarHBondContact CB-OG1 3.34Å; N183-T214 PolarHBondContact O-N 3.38Å; N183-T214 PolarHBondContact O-OG1 2.94Å; N183-D215 HydrophobicContact CB-CB 3.95Å; N183-D215 WeakPolarHBondContact CB-OD2 3.42Å; N183-D215 PolarHBondContact N-O 2.96Å; N183-D215 PolarHBondContact ND2-OD2 3.27Å; N183-D215 PolarHBondContact O-N 3.29Å
184S95.3Very high95Very high57 Ų5757.5 Ų57.540%0.39932%0.316SS..EExtended strand (participates in β ladder)trans-140.5158.6174.758.30000111.1V212S184-V212 CarbonylContact C-O 3.57Å; S184-V212 WeakPolarHBondContact CA-O 3.47Å; S184-V212 VanDerWaalsContact CB-O 3.27Å; S184-V212 WeakPolarHBondContact CB-O 3.49Å
185T94.8Very high95Very high68 Ų6854.2 Ų54.242%0.41729%0.294SS..EExtended strand (participates in β ladder)trans-127.3172.8167.2-167.30000108.9P211 V212 T214T185-P211 CarbonylContact O-C 3.47Å; T185-P211 WeakPolarHBondContact O-CA 3.46Å; T185-V212 HydrophobicContact CG2-CG2 3.57Å; T185-V212 PolarHBondContact N-O 3.06Å; T185-V212 PolarHBondContact O-N 3.45Å; T185-T214 HydrophobicContact CG2-CG2 3.47Å; T185-T214 VanDerWaalsContact CG2-CG2 3.47Å
186H95.1Very high94.9Very high102 Ų10253.5 Ų53.547%0.47229%0.291SS..EExtended strand (participates in β ladder)trans-113.5137.8178.8-64.881.3000110.7Q209 Y210H186-Q209 HydrophobicContact CB-CB 4.14Å; H186-Y210 WeakPolarHBondContact CA-O 3.3Å
187L95.3Very high94.7Very high20 Ų2058.5 Ų58.511%0.10529%0.293CS..EExtended strand (participates in β ladder)trans-101.7137167.2-55.3-178.2000108.2L76 L77 V160 Y210 V212L76-L187 HydrophobicContact CB-CD1 4.13Å; L76-L187 HydrophobicContact CD1-CD2 3.8Å; L77-L187 HydrophobicContact CD2-CD1 4.28Å; V160-L187 HydrophobicContact CG1-CD1 3.53Å; L187-Y210 PolarHBondContact N-O 3.38Å; L187-Y210 PolarHBondContact O-N 2.96Å; L187-V212 HydrophobicContact CD1-CG1 3.61Å; L187-V212 HydrophobicContact CD1-CG2 4.14Å; L187-V212 HydrophobicContact CD2-CG2 4.27Å; L187-V212 HydrophobicContact CG-CG1 3.93Å; L187-V212 HydrophobicContact CG-CG2 3.89Å
188T97.3Very high93.9Very high48 Ų4866.9 Ų66.929%0.29433%0.328SS..EExtended strand (participates in β ladder)trans-81.2127.7169.9-59.20000108.1L69 P207 V208 Q209L69-T188 HydrophobicContact CD1-CG2 4.22Å; L69-T188 WeakPolarHBondContact CD1-O 3.41Å; T188-P207 HydrophobicContact CG2-CB 4.03Å; T188-V208 WeakPolarHBondContact CA-O 3.32Å; T188-Q209 PolarHBondContact OG1-NE2 3.33Å; T188-Q209 PolarHBondContact OG1-OE1 3.44Å
189V97.1Very high93.2Very high0 Ų068.5 Ų68.50%035%0.353CS..EExtended strand (participates in β ladder)trans-132.8162.5172.3-61.20000109L77 F155 V160 P207 V208L77-V189 HydrophobicContact CD2-CG1 3.89Å; F155-V189 HydrophobicContact CD1-CG2 3.9Å; F155-V189 HydrophobicContact CE1-CG2 4.21Å; V160-V189 HydrophobicContact CG2-CG1 4.04Å; V189-P207 CarbonylContact O-C 3.55Å; V189-P207 WeakPolarHBondContact O-CA 3.46Å; V189-V208 HydrophobicContact CG2-CG2 3.63Å; V189-V208 PolarHBondContact N-O 2.98Å; V189-V208 WeakPolarHBondContact O-CG2 3.39Å; V189-V208 PolarHBondContact O-N 2.97Å
190L98.2Very high92.8Very high0 Ų069.5 Ų69.50%037%0.365CS..EExtended strand (participates in β ladder)trans-93.4136.6173.7-53.4-176.8000110.3L65 I68 L69 F155 W156 W205 I206 P207L65-L190 HydrophobicContact CB-CD1 4Å; L65-L190 HydrophobicContact CD2-CD1 3.8Å; L65-L190 HydrophobicContact CG-CD1 4.49Å; I68-L190 HydrophobicContact CB-CD1 4.19Å; I68-L190 HydrophobicContact CB-CD2 4.43Å; I68-L190 HydrophobicContact CG2-CD1 4.24Å; I68-L190 HydrophobicContact CG2-CD2 3.76Å; L69-L190 HydrophobicContact CB-CD1 4.45Å; L69-L190 HydrophobicContact CB-CD2 4.36Å; L69-L190 HydrophobicContact CB-CG 4.35Å; L69-L190 HydrophobicContact CD1-CD2 4.07Å; L69-L190 HydrophobicContact CD1-CG 4.03Å; F155-L190 CarbonylContact C-O 3.53Å; F155-L190 VanDerWaalsContact CA-O 3.28Å; F155-L190 WeakPolarHBondContact CA-O 3.49Å; W156-L190 HydrophobicContact CB-CB 4.33Å; W156-L190 HydrophobicContact CE3-CD1 3.75Å; W156-L190 HydrophobicContact CE3-CG 4.19Å; W156-L190 HydrophobicContact CZ3-CD1 4.32Å; W156-L190 PolarHBondContact N-O 3.49Å; W156-L190 WeakPolarHBondContact O-CA 3.44Å; W156-L190 VanDerWaalsContact O-CB 3.31Å; W156-L190 WeakPolarHBondContact O-CB 3.36Å; W156-L190 PolarHBondContact O-N 3.34Å; L190-W205 HydrophobicContact CB-CB 4.41Å; L190-W205 HydrophobicContact CB-CD2 4.34Å; L190-W205 HydrophobicContact CB-CE3 3.61Å; L190-W205 HydrophobicContact CB-CZ3 4.26Å; L190-W205 HydrophobicContact CD1-CB 4.3Å; L190-I206 CarbonylContact C-O 3.57Å; L190-I206 WeakPolarHBondContact CA-O 3.48Å; L190-P207 HydrophobicContact CD2-CB 4.28Å
191R97.6Very high92.7Very high45 Ų4568.8 Ų68.817%0.1737%0.367CS..EExtended strand (participates in β ladder)trans-113.3128.4173.117460.1-176.7-165.1-6.3109.9E47 R154 F155 R193 I206 V208E47-R191 IonicContact OE1-CZ 3.09Å; E47-R191 IonicContact OE1-NH1 2.72Å; E47-R191 PolarHBondContact OE1-NH1 2.93Å; E47-R191 IonicContact OE1-NH2 3.9Å; E47-R191 PolarHBondContact OE1-NH2 3.25Å; E47-R191 IonicContact OE2-CZ 3.59Å; E47-R191 IonicContact OE2-NH1 3.67Å; E47-R191 IonicContact OE2-NH2 2.67Å; E47-R191 PolarHBondContact OE2-NH2 3.31Å; R154-R191 WeakPolarHBondContact O-CA 3.36Å; R154-R191 WeakPolarHBondContact O-CD 3.46Å; F155-R191 HydrophobicContact CD1-CB 4.48Å; F155-R191 HydrophobicContact CE1-CB 4.27Å; R191-R193 PolarHBondContact O-N 3.4Å; R191-I206 HydrophobicContact CB-CG1 4.24Å; R191-I206 PolarHBondContact N-O 3.34Å; R191-I206 VanDerWaalsContact O-CG1 3.32Å; R191-I206 WeakPolarHBondContact O-CG1 3.34Å; R191-I206 PolarHBondContact O-N 3.31Å; R191-V208 HydrophobicContact CB-CB 4.47Å; R191-V208 HydrophobicContact CB-CG1 3.76Å; R191-V208 HydrophobicContact CB-CG2 3.82Å
192W97.5Very high92.6Very high16 Ų1672.5 Ų72.56%0.06138%0.378CS..EExtended strand (participates in β ladder)trans-75112.3169.6-173.3-113.6000109.2F53 P55 D59 R154 C203 W205F53-W192 PolarHBondContact O-NE1 3.32Å; P55-W192 HydrophobicContact CB-CD2 3.81Å; P55-W192 HydrophobicContact CB-CE3 4.24Å; P55-W192 HydrophobicContact CB-CG 4.07Å; P55-W192 HydrophobicContact CB-CZ2 4.13Å; P55-W192 HydrophobicContact CG-CD2 4.46Å; P55-W192 HydrophobicContact CG-CG 4.21Å; D59-W192 HydrophobicContact CB-CH2 3.66Å; D59-W192 HydrophobicContact CB-CZ2 4.35Å; D59-W192 HydrophobicContact CB-CZ3 3.99Å; R154-W192 HydrophobicContact CB-CB 4.19Å; R154-W192 PolarHBondContact O-N 2.95Å; W192-C203 HydrophobicContact CD2-CB 4.13Å; W192-C203 HydrophobicContact CH2-CB 3.74Å; W192-C203 HydrophobicContact CZ2-CB 3.14Å; W192-C203 HydrophobicContact CZ3-CB 4.42Å; W192-W205 HydrophobicContact CB-CD2 4.41Å; W192-W205 HydrophobicContact CB-CE3 4.03Å; W192-W205 HydrophobicContact CB-CH2 3.86Å; W192-W205 HydrophobicContact CB-CZ2 4.22Å; W192-W205 HydrophobicContact CB-CZ3 3.76Å; W192-W205 AromaticContact CE3-CD1 3.61Å; W192-W205 AromaticContact CE3-CD2 3.73Å; W192-W205 HydrophobicContact CE3-CD2 3.73Å; W192-W205 AromaticContact CE3-CE2 3.54Å; W192-W205 HydrophobicContact CE3-CE3 4.46Å; W192-W205 AromaticContact CE3-CG 3.8Å; W192-W205 HydrophobicContact CE3-CG 3.8Å; W192-W205 HydrophobicContact CE3-CZ2 4.12Å; W192-W205 AromaticContact CE3-NE1 3.46Å; W192-W205 AromaticContact CZ3-CD1 3.56Å; W192-W205 HydrophobicContact CZ3-CD2 4.45Å; W192-W205 HydrophobicContact CZ3-CG 4.15Å; W192-W205 AromaticContact CZ3-NE1 3.54Å; W192-W205 VanDerWaalsContact N-CZ3 3.35Å
193R95.9Very high92.7Very high145 Ų14572.7 Ų72.755%0.54738%0.376SS..EExtended strand (participates in β ladder)trans-119.2119.4-176.8-178178.4177.8-123.42110.4R191 V195 C203 A204 I206R191-R193 PolarHBondContact O-N 3.4Å; R193-V195 HydrophobicContact CG-CG2 4.36Å; R193-C203 VanDerWaalsContact O-CA 3.28Å; R193-C203 WeakPolarHBondContact O-CA 3.26Å; R193-A204 PolarHBondContact N-O 2.81Å; R193-A204 PolarHBondContact O-N 3.01Å; R193-A204 VanDerWaalsContact O-N 3.1Å; R193-I206 HydrophobicContact CB-CD1 3.95Å; R193-I206 HydrophobicContact CB-CG1 4.1Å; R193-I206 HydrophobicContact CG-CD1 4.4Å
194C94.8Very high92.8Very high30 Ų3071.2 Ų71.220%0.20338%0.376CS..EExtended strand (participates in β ladder)trans-100.6137173.5-63.10000111.7F53 L201 K202 C203F53-C194 HydrophobicContact CD1-CB 3.85Å; C194-L201 HydrophobicContact CB-CD1 3.79Å; C194-L201 HydrophobicContact CB-CD2 4.09Å; C194-L201 HydrophobicContact CB-CG 3.92Å; C194-K202 CarbonylContact C-O 3.57Å; C194-K202 WeakPolarHBondContact CA-O 3.31Å; C194-C203 HydrophobicContact CB-CB 4.09Å; C194-C203 WeakPolarHBondContact CB-SG 3.05Å; C194-C203 WeakPolarHBondContact SG-CB 3.08Å; C194-C203 CovalentContact SG-SG 2.04Å; C194-C203 PolarHBondContact SG-SG 3.35Å
195V92.9Very high92.9Very high46 Ų4669.8 Ų69.828%0.27936%0.361SS..EExtended strand (participates in β ladder)trans-130.7128177.4-177.40000109.2R193 R197 K202R193-V195 HydrophobicContact CG-CG2 4.36Å; V195-R197 HydrophobicContact CG1-CG 4.4Å; V195-R197 PolarHBondContact O-N 3.45Å; V195-K202 PolarHBondContact N-O 3.46Å; V195-K202 PolarHBondContact O-N 3.46Å
196Q89.6Confident93Very high141 Ų14169.3 Ų69.366%0.65936%0.356SS*.EExtended strand (participates in β ladder)trans-70.5122.3173.5-164.4682.700109.8
197R86.6Confident93.1Very high159 Ų15968.2 Ų68.260%0.636%0.358SS*.EExtended strand (participates in β ladder)trans-123.5169172.7-63.6-161.3-175.5175.41.9110.3V195 G199 G200V195-R197 HydrophobicContact CG1-CG 4.4Å; V195-R197 PolarHBondContact O-N 3.45Å; R197-G199 PolarHBondContact O-N 3.43Å; R197-G200 PolarHBondContact N-O 2.94Å; R197-G200 PolarHBondContact O-N 3.44Å; R197-G200 VanDerWaalsContact O-N 3.09Å
198K78.4Confident93.2Very high232 Ų23269.3 Ų69.3100%1.00937%0.365SS*.THydrogen-bonded Turntrans-61.918.1179.8-70.7-171175.9-1770115.6
199G79.7Confident93.1Very high76 Ų7672.3 Ų72.378%0.78438%0.376SS*.THydrogen-bonded Turntrans-150.223.9176.800000112.9R197R197-G199 PolarHBondContact O-N 3.43Å
200G86.8Confident93Very high31 Ų3173.9 Ų73.932%0.3238%0.382SS..EExtended strand (participates in β ladder)trans112-175.3179.400000114.2R197R197-G200 PolarHBondContact N-O 2.94Å; R197-G200 PolarHBondContact O-N 3.44Å; R197-G200 VanDerWaalsContact O-N 3.09Å
201L90.7Very high92.9Very high63 Ų6375.4 Ų75.433%0.3339%0.392SS..EExtended strand (participates in β ladder)trans-77.5122.1178.4-16769.3000109.6A52 F53 C194A52-L201 WeakPolarHBondContact O-CD2 3.43Å; F53-L201 HydrophobicContact CD1-CD1 4.18Å; F53-L201 HydrophobicContact CD1-CD2 3.84Å; F53-L201 HydrophobicContact CE1-CD1 3.76Å; F53-L201 HydrophobicContact CE1-CD2 4.02Å; C194-L201 HydrophobicContact CB-CD1 3.79Å; C194-L201 HydrophobicContact CB-CD2 4.09Å; C194-L201 HydrophobicContact CB-CG 3.92Å
202K93.8Very high92.8Very high125 Ų12573.8 Ų73.854%0.54339%0.387SS..EExtended strand (participates in β ladder)trans-110.5121.8173.9-67-162.3-179.5-169.50109.7C194 V195C194-K202 CarbonylContact C-O 3.57Å; C194-K202 WeakPolarHBondContact CA-O 3.31Å; V195-K202 PolarHBondContact N-O 3.46Å; V195-K202 PolarHBondContact O-N 3.46Å
203C95.1Very high92.7Very high42 Ų4273.4 Ų73.428%0.28439%0.386SS..EExtended strand (participates in β ladder)trans-118.4148.1-179.5-50.20000111W192 R193 C194W192-C203 HydrophobicContact CD2-CB 4.13Å; W192-C203 HydrophobicContact CH2-CB 3.74Å; W192-C203 HydrophobicContact CZ2-CB 3.14Å; W192-C203 HydrophobicContact CZ3-CB 4.42Å; R193-C203 VanDerWaalsContact O-CA 3.28Å; R193-C203 WeakPolarHBondContact O-CA 3.26Å; C194-C203 HydrophobicContact CB-CB 4.09Å; C194-C203 WeakPolarHBondContact CB-SG 3.05Å; C194-C203 WeakPolarHBondContact SG-CB 3.08Å; C194-C203 CovalentContact SG-SG 2.04Å; C194-C203 PolarHBondContact SG-SG 3.35Å
204A96.1Very high92.6Very high50 Ų5069.2 Ų69.241%0.41338%0.376SS..EExtended strand (participates in β ladder)trans-156.1156.4175.700000110.8R193R193-A204 PolarHBondContact N-O 2.81Å; R193-A204 PolarHBondContact O-N 3.01Å; R193-A204 VanDerWaalsContact O-N 3.1Å
205W97.9Very high92.5Very high27 Ų2771.3 Ų71.310%0.10239%0.386CS..EExtended strand (participates in β ladder)trans-77.7128.5167.9-68.8105.6000110.4P55 D59 L60 L65 R154 W156 L190 W192P55-W205 HydrophobicContact CB-CZ2 3.88Å; P55-W205 HydrophobicContact CG-CH2 4.19Å; P55-W205 HydrophobicContact CG-CZ2 3.88Å; D59-W205 PolarHBondContact O-NE1 3.29Å; L60-W205 HydrophobicContact CD2-CH2 4.42Å; L60-W205 HydrophobicContact CD2-CZ2 3.68Å; L65-W205 HydrophobicContact CD2-CB 4.13Å; L65-W205 HydrophobicContact CD2-CD2 3.92Å; L65-W205 HydrophobicContact CD2-CG 3.5Å; R154-W205 WeakPolarHBondContact O-CZ3 3.28Å; W156-W205 HydrophobicContact CB-CE3 4.23Å; W156-W205 HydrophobicContact CB-CH2 3.74Å; W156-W205 HydrophobicContact CB-CZ2 4.33Å; W156-W205 HydrophobicContact CB-CZ3 3.68Å; L190-W205 HydrophobicContact CB-CB 4.41Å; L190-W205 HydrophobicContact CB-CD2 4.34Å; L190-W205 HydrophobicContact CB-CE3 3.61Å; L190-W205 HydrophobicContact CB-CZ3 4.26Å; L190-W205 HydrophobicContact CD1-CB 4.3Å; W192-W205 HydrophobicContact CB-CD2 4.41Å; W192-W205 HydrophobicContact CB-CE3 4.03Å; W192-W205 HydrophobicContact CB-CH2 3.86Å; W192-W205 HydrophobicContact CB-CZ2 4.22Å; W192-W205 HydrophobicContact CB-CZ3 3.76Å; W192-W205 AromaticContact CE3-CD1 3.61Å; W192-W205 AromaticContact CE3-CD2 3.73Å; W192-W205 HydrophobicContact CE3-CD2 3.73Å; W192-W205 AromaticContact CE3-CE2 3.54Å; W192-W205 HydrophobicContact CE3-CE3 4.46Å; W192-W205 AromaticContact CE3-CG 3.8Å; W192-W205 HydrophobicContact CE3-CG 3.8Å; W192-W205 HydrophobicContact CE3-CZ2 4.12Å; W192-W205 AromaticContact CE3-NE1 3.46Å; W192-W205 AromaticContact CZ3-CD1 3.56Å; W192-W205 HydrophobicContact CZ3-CD2 4.45Å; W192-W205 HydrophobicContact CZ3-CG 4.15Å; W192-W205 AromaticContact CZ3-NE1 3.54Å; W192-W205 VanDerWaalsContact N-CZ3 3.35Å
206I97.1Very high92.6Very high58 Ų5869.7 Ų69.730%0.29738%0.376SS..EExtended strand (participates in β ladder)trans-126.5140.4175.855.7162.6000110.5L190 R191 R193 V208L190-I206 CarbonylContact C-O 3.57Å; L190-I206 WeakPolarHBondContact CA-O 3.48Å; R191-I206 HydrophobicContact CB-CG1 4.24Å; R191-I206 PolarHBondContact N-O 3.34Å; R191-I206 VanDerWaalsContact O-CG1 3.32Å; R191-I206 WeakPolarHBondContact O-CG1 3.34Å; R191-I206 PolarHBondContact O-N 3.31Å; R193-I206 HydrophobicContact CB-CD1 3.95Å; R193-I206 HydrophobicContact CB-CG1 4.1Å; R193-I206 HydrophobicContact CG-CD1 4.4Å; I206-V208 HydrophobicContact CD1-CG1 4.18Å; I206-V208 HydrophobicContact CG1-CG1 4.26Å
207P97.4Very high92.7Very high79 Ų7969.1 Ų69.151%0.51337%0.372SS..EExtended strand (participates in β ladder)trans-68.8134.417328.6-33.3000110.2T188 V189 L190T188-P207 HydrophobicContact CG2-CB 4.03Å; V189-P207 CarbonylContact O-C 3.55Å; V189-P207 WeakPolarHBondContact O-CA 3.46Å; L190-P207 HydrophobicContact CD2-CB 4.28Å
208V96.6Very high93.1Very high42 Ų4263.1 Ų63.126%0.25535%0.354SS..EExtended strand (participates in β ladder)trans-134.4153175.7-60.30000110F155 T188 V189 R191 I206F155-V208 HydrophobicContact CE1-CG2 4.23Å; T188-V208 WeakPolarHBondContact CA-O 3.32Å; V189-V208 HydrophobicContact CG2-CG2 3.63Å; V189-V208 PolarHBondContact N-O 2.98Å; V189-V208 WeakPolarHBondContact O-CG2 3.39Å; V189-V208 PolarHBondContact O-N 2.97Å; R191-V208 HydrophobicContact CB-CB 4.47Å; R191-V208 HydrophobicContact CB-CG1 3.76Å; R191-V208 HydrophobicContact CB-CG2 3.82Å; I206-V208 HydrophobicContact CD1-CG1 4.18Å; I206-V208 HydrophobicContact CG1-CG1 4.26Å
209Q95.8Very high93.8Very high112 Ų11254.1 Ų54.152%0.52332%0.32SS..EExtended strand (participates in β ladder)trans-92.2119.7177.2-62.7-58.9-34.600109.4H186 T188H186-Q209 HydrophobicContact CB-CB 4.14Å; T188-Q209 PolarHBondContact OG1-NE2 3.33Å; T188-Q209 PolarHBondContact OG1-OE1 3.44Å
210Y95Very high94.4Very high32 Ų3254.5 Ų54.513%0.12531%0.31CS..EExtended strand (participates in β ladder)trans-107.2117.5177.4-171.1-88.5000109.8L151 V160 V162 H186 L187 V212L151-Y210 HydrophobicContact CD1-CD2 4.17Å; L151-Y210 HydrophobicContact CD1-CE2 4.16Å; L151-Y210 HydrophobicContact CD2-CD2 4.48Å; L151-Y210 HydrophobicContact CD2-CE2 3.67Å; V160-Y210 HydrophobicContact CG1-CD1 4.4Å; V162-Y210 HydrophobicContact CG1-CE1 3.93Å; H186-Y210 WeakPolarHBondContact CA-O 3.3Å; L187-Y210 PolarHBondContact N-O 3.38Å; L187-Y210 PolarHBondContact O-N 2.96Å; Y210-V212 HydrophobicContact CD1-CG1 3.97Å; Y210-V212 HydrophobicContact CE1-CG1 4.23Å
211P95.6Very high93.9Very high32 Ų3257.1 Ų57.121%0.20832%0.323CS..EExtended strand (participates in β ladder)trans-77137.6-17632.6-36000111.6L40 V42 T185L40-P211 HydrophobicContact CD2-CB 4.08Å; L40-P211 HydrophobicContact CD2-CG 4.03Å; V42-P211 HydrophobicContact CG2-CG 3.45Å; V42-P211 VanDerWaalsContact CG2-CG 3.45Å; T185-P211 CarbonylContact O-C 3.47Å; T185-P211 WeakPolarHBondContact O-CA 3.46Å
212V95Very high92.4Very high11 Ų1162.1 Ų62.17%0.06736%0.363CS..EExtended strand (participates in β ladder)trans-128.9142.2175-60.80000110.8V160 V162 S184 T185 L187 Y210V160-V212 HydrophobicContact CG1-CG1 4.33Å; V162-V212 HydrophobicContact CG1-CG1 4.13Å; S184-V212 CarbonylContact C-O 3.57Å; S184-V212 WeakPolarHBondContact CA-O 3.47Å; S184-V212 VanDerWaalsContact CB-O 3.27Å; S184-V212 WeakPolarHBondContact CB-O 3.49Å; T185-V212 HydrophobicContact CG2-CG2 3.57Å; T185-V212 PolarHBondContact N-O 3.06Å; T185-V212 PolarHBondContact O-N 3.45Å; L187-V212 HydrophobicContact CD1-CG1 3.61Å; L187-V212 HydrophobicContact CD1-CG2 4.14Å; L187-V212 HydrophobicContact CD2-CG2 4.27Å; L187-V212 HydrophobicContact CG-CG1 3.93Å; L187-V212 HydrophobicContact CG-CG2 3.89Å; Y210-V212 HydrophobicContact CD1-CG1 3.97Å; Y210-V212 HydrophobicContact CE1-CG1 4.23Å
213I95.9Very high92.3Very high9 Ų959 Ų595%0.04635%0.354CS..EExtended strand (participates in β ladder)trans-74.5129-178.5-61.4163.5000109.5L40 P41 G163 P181L40-I213 HydrophobicContact CB-CD1 4.29Å; L40-I213 HydrophobicContact CB-CG1 4.17Å; L40-I213 HydrophobicContact CD1-CG1 3.92Å; P41-I213 HydrophobicContact CB-CD1 4.39Å; G163-I213 WeakPolarHBondContact O-CB 3.48Å; G163-I213 VanDerWaalsContact O-CD1 3.3Å; G163-I213 WeakPolarHBondContact O-CD1 3.28Å; P181-I213 HydrophobicContact CB-CD1 4.07Å; P181-I213 HydrophobicContact CB-CG1 4.07Å; P181-I213 HydrophobicContact CB-CG2 4.21Å; P181-I213 HydrophobicContact CG-CD1 3.58Å; P181-I213 HydrophobicContact CG-CG1 4.14Å
214T93.9Very high92.2Very high56 Ų5659.8 Ų59.834%0.34436%0.358SS..EExtended strand (participates in β ladder)trans-108.6-26.5177.759.70000113.3V144 N183 T185V144-T214 WeakPolarHBondContact CG2-O 3.41Å; N183-T214 WeakPolarHBondContact CB-OG1 3.34Å; N183-T214 PolarHBondContact O-N 3.38Å; N183-T214 PolarHBondContact O-OG1 2.94Å; T185-T214 HydrophobicContact CG2-CG2 3.47Å; T185-T214 VanDerWaalsContact CG2-CG2 3.47Å
215D93.1Very high91.9Very high74 Ų7460.4 Ų60.440%0.39636%0.355SS..EExtended strand (participates in β ladder)trans-142.7146.3179.4-63-62.6000111.5A182 N183A182-D215 HydrophobicContact CB-CB 4.47Å; A182-D215 PolarHBondContact N-O 2.93Å; N183-D215 HydrophobicContact CB-CB 3.95Å; N183-D215 WeakPolarHBondContact CB-OD2 3.42Å; N183-D215 PolarHBondContact N-O 2.96Å; N183-D215 PolarHBondContact ND2-OD2 3.27Å; N183-D215 PolarHBondContact O-N 3.29Å
216C93.9Very high91.6Very high13 Ų1362.4 Ų62.49%0.08837%0.37CS..EExtended strand (participates in β ladder)trans-115.8144.4172.1-59.70000110.2C142 V144 C165 R180C142-C216 HydrophobicContact CB-CB 3.66Å; V144-C216 HydrophobicContact CG2-CB 4.34Å; V144-C216 VanDerWaalsContact CG2-SG 3.6Å; C165-C216 WeakPolarHBondContact CA-SG 3.46Å; C165-C216 HydrophobicContact CB-CB 3.88Å; C165-C216 WeakPolarHBondContact CB-SG 3.36Å; C165-C216 WeakPolarHBondContact SG-CB 3.34Å; C165-C216 CovalentContact SG-SG 2.03Å; C165-C216 PolarHBondContact SG-SG 3.43Å; R180-C216 CarbonylContact O-C 3.56Å; R180-C216 VanDerWaalsContact O-CA 3.27Å; R180-C216 WeakPolarHBondContact O-CA 3.46Å
217K93.3Very high91.3Very high128 Ų12862.6 Ų62.656%0.55737%0.374SS*.EExtended strand (participates in β ladder)trans-133.4155.3173.5-72.2-179.2-173.91730111.2C179 R180 A182 S219C179-K217 WeakPolarHBondContact CA-O 3.4Å; R180-K217 PolarHBondContact N-O 3.13Å; R180-K217 PolarHBondContact O-N 2.88Å; A182-K217 HydrophobicContact CB-CB 3.74Å; A182-K217 HydrophobicContact CB-CD 3.62Å; A182-K217 HydrophobicContact CB-CG 3.44Å; A182-K217 VanDerWaalsContact CB-CG 3.44Å; K217-S219 PolarHBondContact O-N 3.46Å
218C93.8Very high90.8Very high34 Ų3461.5 Ų61.523%0.2337%0.365CS..EExtended strand (participates in β ladder)trans-73.1120.7172.7-168.70000110C142 C171 M177C142-C218 PolarHBondContact SG-N 2.8Å; C171-C218 HydrophobicContact CB-CB 3.78Å; C171-C218 WeakPolarHBondContact CB-SG 3.38Å; C171-C218 PolarHBondContact O-SG 2.73Å; C171-C218 WeakPolarHBondContact SG-CA 3.5Å; C171-C218 WeakPolarHBondContact SG-CB 3.45Å; C171-C218 CovalentContact SG-SG 2.03Å; C171-C218 PolarHBondContact SG-SG 3.05Å; M177-C218 WeakPolarHBondContact CB-SG 3.29Å; M177-C218 HydrophobicContact CE-CB 4.44Å; M177-C218 VanDerWaalsContact CE-O 3.31Å; M177-C218 WeakPolarHBondContact CE-O 3.34Å
219S93.8Very high90.4Very high42 Ų4262.9 Ų62.929%0.29437%0.373SS..EExtended strand (participates in β ladder)trans-146.5160.8178.764.40000112.5M177 V178 R180 K217M177-S219 WeakPolarHBondContact CA-O 3.32Å; M177-S219 WeakPolarHBondContact CB-O 3.22Å; V178-S219 PolarHBondContact N-O 3.39Å; V178-S219 PolarHBondContact O-N 3.09Å; V178-S219 VanDerWaalsContact O-O 3.11Å; R180-S219 WeakPolarHBondContact CB-OG 3.33Å; R180-S219 WeakPolarHBondContact CD-OG 3.32Å; K217-S219 PolarHBondContact O-N 3.46Å
220C92Very high90Very high84 Ų8459.2 Ų59.257%0.56836%0.361SS*.EExtended strand (participates in β ladder)trans-69.4155.3179.2-62.10000111.9R180 S222R180-C220 PolarHBondContact NH1-O 2.89Å; C220-S222 PolarHBondContact O-N 2.73Å
221S75.7Confident89.6Confident86 Ų8661.4 Ų61.460%0.60138%0.381SS*.  trans-68.5120.3163.355.90000110.3
222S59.4Low89.1Confident168 Ų16864.1 Ų64.1100%1.17540%0.397SS*.  trans-76.90171.954.20000110.6R180 C220R180-S222 VanDerWaalsContact NH1-N 3.19Å; R180-S222 PolarHBondContact NH1-OG 2.93Å; C220-S222 PolarHBondContact O-N 2.73Å

Retrieved 222 of 222 residues in 179.2 ms (Link to these results)

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