A0A087Y600_POEFO Loading...

Thioredoxin domain containing 11

AlphaFold DB , UniProt , Accession A0A087Y600, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 826 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
1M52.4Low56.8Low212 Ų212154 Ų154100%1.04469%0.693SS**  0-38.80-78.7-164.4170.500114.6R3 R4 V5M1-R3 PolarHBondContact O-N 3.49Å; M1-R4 PolarHBondContact O-N 3.5Å; M1-V5 PolarHBondContact O-N 3.38Å
2L48.9Very low57.4Low146 Ų146146.7 Ų146.776%0.76467%0.669SS**Hα-helixtrans-63-28.1-177.8-85145000116.5R6L2-R6 PolarHBondContact O-N 3.41Å
3R53.7Low57.7Low225 Ų225144.1 Ų144.185%0.84966%0.663SS**Hα-helixtrans-72.7-35.9174.9-81.1-176176.7178.1-1.1113.5M1 R6 Q7M1-R3 PolarHBondContact O-N 3.49Å; R3-R6 PolarHBondContact O-N 3.49Å; R3-Q7 PolarHBondContact O-N 3.35Å
4R53.3Low57.8Low209 Ų209142.6 Ų142.679%0.78966%0.662SS**Hα-helixtrans-69.2-37.3175.8-78.2-173.4-172.6175.52.1111.9M1 Q7 S8M1-R4 PolarHBondContact O-N 3.5Å; R4-Q7 PolarHBondContact O-N 3.39Å; R4-S8 WeakPolarHBondContact O-CB 3.39Å; R4-S8 PolarHBondContact O-N 3.28Å
5V59.2Low57.8Low80 Ų80141.1 Ų141.149%0.48566%0.66SS.*Hα-helixtrans-66.9-39.6176.7175.90000111.5M1 S8 L9M1-V5 PolarHBondContact O-N 3.38Å; V5-S8 PolarHBondContact O-N 3.4Å; V5-L9 HydrophobicContact CG1-CD1 3.91Å; V5-L9 WeakPolarHBondContact O-CB 3.44Å; V5-L9 PolarHBondContact O-N 3.21Å
6R59.5Low57.6Low196 Ų196138.3 Ų138.374%0.7465%0.648SS**Hα-helixtrans-66.9-34.8175.3-87.1-176.4174.7173-0.3113.8L2 R3 R10L2-R6 PolarHBondContact O-N 3.41Å; R3-R6 PolarHBondContact O-N 3.49Å; R6-R10 PolarHBondContact O-N 3.05Å; R6-R10 VanDerWaalsContact O-N 3.13Å
7Q57.6Low57.6Low135 Ų135134.9 Ų134.963%0.63165%0.649SS**Hα-helixtrans-70.4-40.2174.7-82.9176.4-35.700111.9R3 R4 R10 Q11R3-Q7 PolarHBondContact O-N 3.35Å; R4-Q7 PolarHBondContact O-N 3.39Å; Q7-R10 PolarHBondContact O-N 3.1Å; Q7-Q11 PolarHBondContact O-N 3.28Å
8S59.1Low57.8Low64 Ų64139.3 Ų139.345%0.44866%0.658SS.*Hα-helixtrans-62.9-44.7173.9168.50000112.3R4 V5 R10 Q11 V12R4-S8 WeakPolarHBondContact O-CB 3.39Å; R4-S8 PolarHBondContact O-N 3.28Å; V5-S8 PolarHBondContact O-N 3.4Å; S8-R10 PolarHBondContact O-N 3.27Å; S8-Q11 PolarHBondContact O-N 2.98Å; S8-V12 VanDerWaalsContact O-CG2 3.31Å; S8-V12 WeakPolarHBondContact O-CG2 3.49Å; S8-V12 PolarHBondContact O-N 3.4Å
9L60Low58.1Low98 Ų98141.1 Ų141.151%0.51366%0.658SS.*Hα-helixtrans-65.1-36.1177.2-102.3141.8000113.2V5 V12 L13V5-L9 HydrophobicContact CG1-CD1 3.91Å; V5-L9 WeakPolarHBondContact O-CB 3.44Å; V5-L9 PolarHBondContact O-N 3.21Å; L9-V12 PolarHBondContact O-N 3.09Å; L9-L13 WeakPolarHBondContact O-CB 3.27Å; L9-L13 PolarHBondContact O-N 2.97Å
10R61.3Low58.3Low193 Ų193138.5 Ų138.573%0.72865%0.654SS**Hα-helixtrans-67.7-38173.3-88.2-176170.3-178.1-3.6112.3R6 Q7 S8 L14R6-R10 PolarHBondContact O-N 3.05Å; R6-R10 VanDerWaalsContact O-N 3.13Å; Q7-R10 PolarHBondContact O-N 3.1Å; S8-R10 PolarHBondContact O-N 3.27Å; R10-L14 WeakPolarHBondContact O-CB 3.38Å; R10-L14 PolarHBondContact O-N 2.99Å
11Q60.2Low58.6Low136 Ų136138.3 Ų138.364%0.63666%0.657SS**Hα-helixtrans-66.4-39.5173.7-84.7177.9-27.200112.2Q7 S8 L14 L15Q7-Q11 PolarHBondContact O-N 3.28Å; S8-Q11 PolarHBondContact O-N 2.98Å; Q11-L14 PolarHBondContact O-N 3.47Å; Q11-L15 WeakPolarHBondContact O-CB 3.28Å; Q11-L15 WeakPolarHBondContact O-CG 3.48Å; Q11-L15 PolarHBondContact O-N 3.47Å
12V64Low59.3Low66 Ų66133.1 Ų133.140%0.463%0.633SS.*Hα-helixtrans-67.6-41.7176.2173.40000111.3S8 L9 L14 L15 M16S8-V12 VanDerWaalsContact O-CG2 3.31Å; S8-V12 WeakPolarHBondContact O-CG2 3.49Å; S8-V12 PolarHBondContact O-N 3.4Å; L9-V12 PolarHBondContact O-N 3.09Å; V12-L14 PolarHBondContact O-N 3.41Å; V12-L15 PolarHBondContact O-N 3.37Å; V12-M16 HydrophobicContact CG1-CE 3.97Å; V12-M16 HydrophobicContact CG1-CG 4.18Å; V12-M16 WeakPolarHBondContact O-CB 3.45Å; V12-M16 WeakPolarHBondContact O-CG 3.46Å; V12-M16 PolarHBondContact O-N 3.21Å
13L60.6Low60.1Low113 Ų113130 Ų13059%0.59262%0.616SS**Hα-helixtrans-64.5-37.1175.1-87.2158.2000112.8L9 M16 A17L9-L13 WeakPolarHBondContact O-CB 3.27Å; L9-L13 PolarHBondContact O-N 2.97Å; L13-M16 PolarHBondContact O-N 3.27Å; L13-A17 PolarHBondContact O-N 3.07Å
14L59.7Low60.8Low124 Ų124123 Ų12365%0.64960%0.601SS**Hα-helixtrans-70.2-33174.3-84.7161000112.8R10 Q11 V12R10-L14 WeakPolarHBondContact O-CB 3.38Å; R10-L14 PolarHBondContact O-N 2.99Å; Q11-L14 PolarHBondContact O-N 3.47Å; V12-L14 PolarHBondContact O-N 3.41Å
15L57.8Low61.8Low120 Ų120115 Ų11563%0.62858%0.583SS**Hα-helixtrans-72.2-35.8172.4-82.3162.4000112.2Q11 V12 A17 R18Q11-L15 WeakPolarHBondContact O-CB 3.28Å; Q11-L15 WeakPolarHBondContact O-CG 3.48Å; Q11-L15 PolarHBondContact O-N 3.47Å; V12-L15 PolarHBondContact O-N 3.37Å; L15-A17 VanDerWaalsContact C-N 3.32Å; L15-R18 PolarHBondContact O-N 3.1Å
16M54.2Low62.5Low95 Ų95114 Ų11447%0.46858%0.584SS.*Hα-helixtrans-72.8-23.1176.3-66.2-121.8-177.700112.9V12 L13 R18 L23V12-M16 HydrophobicContact CG1-CE 3.97Å; V12-M16 HydrophobicContact CG1-CG 4.18Å; V12-M16 WeakPolarHBondContact O-CB 3.45Å; V12-M16 WeakPolarHBondContact O-CG 3.46Å; V12-M16 PolarHBondContact O-N 3.21Å; L13-M16 PolarHBondContact O-N 3.27Å; M16-R18 VanDerWaalsContact C-N 3.26Å; M16-R18 PolarHBondContact O-N 3Å; M16-L23 HydrophobicContact CB-CD1 4.15Å; M16-L23 HydrophobicContact SD-CD1 4.04Å
17A57.4Low63.4Low81 Ų81109.2 Ų109.267%0.66957%0.572SS**THydrogen-bonded Turntrans-73.2-12.9173.800000113.9L13 L15L13-A17 PolarHBondContact O-N 3.07Å; L15-A17 VanDerWaalsContact C-N 3.32Å
18R62.1Low64.4Low215 Ų215106.5 Ų106.581%0.81156%0.564SS**THydrogen-bonded Turntrans-87.9-6.5179.8-83.6-176.9173.2179.3-2.2114.7L15 M16L15-R18 PolarHBondContact O-N 3.1Å; M16-R18 VanDerWaalsContact C-N 3.26Å; M16-R18 PolarHBondContact O-N 3Å
19R62.4Low65.4Low172 Ų172109.1 Ų109.165%0.64957%0.573SS**  trans-143.386.6177.1-67.8-165.2-178.8-168.72111.2D21 I22R19-D21 PolarHBondContact O-N 3.12Å; R19-I22 HydrophobicContact CB-CD1 3.99Å; R19-I22 HydrophobicContact CB-CG1 4.22Å; R19-I22 HydrophobicContact CG-CD1 4.48Å; R19-I22 PolarHBondContact O-N 3.13Å
20P62.2Low66.1Low90 Ų90107.2 Ų107.258%0.58457%0.567SS**Hα-helixtrans-61-26.2-175.624.1-32.9000113.4I22 L23 C24P20-I22 PolarHBondContact O-N 2.97Å; P20-L23 PolarHBondContact O-N 3.21Å; P20-C24 PolarHBondContact O-N 3.05Å
21D65.8Low67.1Low134 Ų134101.5 Ų101.572%0.71755%0.554SS**Hα-helixtrans-67.5-33.8-178.2-51.5-42.2000113.1R19 G25R19-D21 PolarHBondContact O-N 3.12Å; D21-G25 PolarHBondContact O-N 3.13Å
22I66.6Low68.1Low104 Ų104100 Ų10053%0.53355%0.549SS..Hα-helixtrans-76.2-35.5-179.3-58.8177.6000110.5R19 P20 G25 A26R19-I22 HydrophobicContact CB-CD1 3.99Å; R19-I22 HydrophobicContact CB-CG1 4.22Å; R19-I22 HydrophobicContact CG-CD1 4.48Å; R19-I22 PolarHBondContact O-N 3.13Å; P20-I22 PolarHBondContact O-N 2.97Å; I22-G25 PolarHBondContact O-N 2.99Å; I22-A26 WeakPolarHBondContact O-CB 3.46Å; I22-A26 PolarHBondContact O-N 3.02Å
23L65.5Low68.9Low80 Ų80102.1 Ų102.142%0.41956%0.558SS.*Hα-helixtrans-68-42.9175.9-159.389.7000110.8M16 P20 A26 I27M16-L23 HydrophobicContact CB-CD1 4.15Å; M16-L23 HydrophobicContact SD-CD1 4.04Å; P20-L23 PolarHBondContact O-N 3.21Å; L23-A26 PolarHBondContact O-N 3.38Å; L23-I27 HydrophobicContact CD2-CD1 4.24Å; L23-I27 HydrophobicContact CG-CD1 4.17Å; L23-I27 VanDerWaalsContact O-CG1 3.26Å; L23-I27 WeakPolarHBondContact O-CG1 3.39Å; L23-I27 PolarHBondContact O-N 2.87Å
24C68.5Low69.7Low78 Ų78101.5 Ų101.553%0.52755%0.554SS.*Hα-helixtrans-62.8-44176-159.70000111P20 A26 I27 V28P20-C24 PolarHBondContact O-N 3.05Å; C24-A26 PolarHBondContact O-N 3.37Å; C24-I27 PolarHBondContact O-N 2.78Å; C24-V28 WeakPolarHBondContact O-CB 3.15Å; C24-V28 VanDerWaalsContact O-CG2 3.25Å; C24-V28 WeakPolarHBondContact O-CG2 3.49Å; C24-V28 PolarHBondContact O-N 2.68Å
25G74.5Confident70.6Confident40 Ų40100.5 Ų100.541%0.41255%0.549SS..Hα-helixtrans-59.5-43.4174.700000113.6D21 I22 V28 L29D21-G25 PolarHBondContact O-N 3.13Å; I22-G25 PolarHBondContact O-N 2.99Å; G25-V28 PolarHBondContact O-N 3.32Å; G25-L29 VanDerWaalsContact O-CB 3.29Å; G25-L29 WeakPolarHBondContact O-CB 3.48Å; G25-L29 PolarHBondContact O-N 3Å
26A74.2Confident71.5Confident61 Ų6197.3 Ų97.350%0.50454%0.54SS..Hα-helixtrans-68.4-36.3178.800000113I22 L23 C24 S30I22-A26 WeakPolarHBondContact O-CB 3.46Å; I22-A26 PolarHBondContact O-N 3.02Å; L23-A26 PolarHBondContact O-N 3.38Å; C24-A26 PolarHBondContact O-N 3.37Å; A26-S30 WeakPolarHBondContact O-CB 3.37Å; A26-S30 PolarHBondContact O-N 3.2Å; A26-S30 PolarHBondContact O-OG 3.42Å
27I76.7Confident72.5Confident95 Ų9596.4 Ų96.449%0.48754%0.54SS..Hα-helixtrans-70.1-43.5176.1-65.7166.3000110.2L23 C24 L29 S30 V31L23-I27 HydrophobicContact CD2-CD1 4.24Å; L23-I27 HydrophobicContact CG-CD1 4.17Å; L23-I27 VanDerWaalsContact O-CG1 3.26Å; L23-I27 WeakPolarHBondContact O-CG1 3.39Å; L23-I27 PolarHBondContact O-N 2.87Å; C24-I27 PolarHBondContact O-N 2.78Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.34Å; I27-S30 WeakPolarHBondContact CA-OG 3.31Å; I27-S30 PolarHBondContact O-N 2.98Å; I27-S30 PolarHBondContact O-OG 3.13Å; I27-V31 HydrophobicContact CG2-CG2 4.42Å; I27-V31 WeakPolarHBondContact O-CB 3.39Å; I27-V31 VanDerWaalsContact O-CG2 3.27Å; I27-V31 WeakPolarHBondContact O-CG2 3.37Å; I27-V31 PolarHBondContact O-N 2.87Å
28V79.3Confident73.3Confident78 Ų7899.5 Ų99.547%0.47354%0.538SS..Hα-helixtrans-62.9-42.5176.7171.30000110.9C24 G25 V31 L32C24-V28 WeakPolarHBondContact O-CB 3.15Å; C24-V28 VanDerWaalsContact O-CG2 3.25Å; C24-V28 WeakPolarHBondContact O-CG2 3.49Å; C24-V28 PolarHBondContact O-N 2.68Å; G25-V28 PolarHBondContact O-N 3.32Å; V28-V31 PolarHBondContact O-N 3.49Å; V28-L32 HydrophobicContact CG1-CD1 3.81Å; V28-L32 HydrophobicContact CG1-CG 4.35Å; V28-L32 WeakPolarHBondContact O-CB 3.44Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.41Å; V28-L32 PolarHBondContact O-N 3.36Å
29L79.6Confident73.5Confident119 Ų11996.3 Ų96.362%0.62353%0.53SS*.Hα-helixtrans-68.5-37-179.6-155.3127000112.2G25 I27 L33G25-L29 VanDerWaalsContact O-CB 3.29Å; G25-L29 WeakPolarHBondContact O-CB 3.48Å; G25-L29 PolarHBondContact O-N 3Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.34Å; L29-L33 WeakPolarHBondContact O-CB 3.28Å; L29-L33 PolarHBondContact O-N 3.37Å
30S76.6Confident73.5Confident58 Ų5892.4 Ų92.441%0.40653%0.526SS..Hα-helixtrans-70-38.5174.651.30000112.6A26 I27 L33 I34A26-S30 WeakPolarHBondContact O-CB 3.37Å; A26-S30 PolarHBondContact O-N 3.2Å; A26-S30 PolarHBondContact O-OG 3.42Å; I27-S30 WeakPolarHBondContact CA-OG 3.31Å; I27-S30 PolarHBondContact O-N 2.98Å; I27-S30 PolarHBondContact O-OG 3.13Å; S30-L33 PolarHBondContact O-N 3.42Å; S30-I34 WeakPolarHBondContact O-CD1 3.48Å; S30-I34 VanDerWaalsContact O-CG1 3.25Å; S30-I34 WeakPolarHBondContact O-CG1 3.46Å; S30-I34 PolarHBondContact O-N 3.41Å
31V80.6Confident73.2Confident72 Ų7292.2 Ų92.244%0.43653%0.525SS..Hα-helixtrans-66-42.2173.5172.10000111.2I27 V28 L33 I34 L35I27-V31 HydrophobicContact CG2-CG2 4.42Å; I27-V31 WeakPolarHBondContact O-CB 3.39Å; I27-V31 VanDerWaalsContact O-CG2 3.27Å; I27-V31 WeakPolarHBondContact O-CG2 3.37Å; I27-V31 PolarHBondContact O-N 2.87Å; V28-V31 PolarHBondContact O-N 3.49Å; V31-L33 VanDerWaalsContact C-N 3.32Å; V31-L33 PolarHBondContact O-N 3.31Å; V31-I34 PolarHBondContact O-N 2.95Å; V31-L35 HydrophobicContact CG1-CD1 3.98Å; V31-L35 HydrophobicContact CG1-CG 4.48Å; V31-L35 WeakPolarHBondContact O-CB 3.2Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 3.36Å
32L81.1Confident72.8Confident105 Ų10596 Ų9655%0.5553%0.53SS..Hα-helixtrans-62.8-38.7174.5-77.1170.1000111.8V28 L35 A36V28-L32 HydrophobicContact CG1-CD1 3.81Å; V28-L32 HydrophobicContact CG1-CG 4.35Å; V28-L32 WeakPolarHBondContact O-CB 3.44Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.41Å; V28-L32 PolarHBondContact O-N 3.36Å; L32-L35 PolarHBondContact O-N 3.18Å; L32-A36 VanDerWaalsContact O-CB 3.22Å; L32-A36 WeakPolarHBondContact O-CB 3.23Å; L32-A36 PolarHBondContact O-N 3.05Å
33L80.6Confident72.1Confident111 Ų11195.6 Ų95.658%0.58154%0.535SS*.Hα-helixtrans-67.1-41.1176.7-152.1112000111.6L29 S30 V31 A36 V37L29-L33 WeakPolarHBondContact O-CB 3.28Å; L29-L33 PolarHBondContact O-N 3.37Å; S30-L33 PolarHBondContact O-N 3.42Å; V31-L33 VanDerWaalsContact C-N 3.32Å; V31-L33 PolarHBondContact O-N 3.31Å; L33-A36 PolarHBondContact O-N 3.35Å; L33-V37 WeakPolarHBondContact O-CB 3.48Å; L33-V37 VanDerWaalsContact O-CG2 3.28Å; L33-V37 WeakPolarHBondContact O-CG2 3.5Å; L33-V37 PolarHBondContact O-N 2.96Å
34I78.7Confident71.4Confident99 Ų9995.9 Ų95.951%0.50854%0.544SS..Hα-helixtrans-66.9-40.3176.4-67.7164.5000111S30 V31 V37 K38S30-I34 WeakPolarHBondContact O-CD1 3.48Å; S30-I34 VanDerWaalsContact O-CG1 3.25Å; S30-I34 WeakPolarHBondContact O-CG1 3.46Å; S30-I34 PolarHBondContact O-N 3.41Å; V31-I34 PolarHBondContact O-N 2.95Å; I34-V37 PolarHBondContact O-N 2.95Å; I34-K38 WeakPolarHBondContact O-CB 3.49Å; I34-K38 PolarHBondContact O-N 3.24Å
35L78.6Confident70.5Confident103 Ų103102.9 Ų102.954%0.53956%0.559SS.*Hα-helixtrans-66-42.3174.6-75.7171.3000111.1V31 L32 V37 K38 F39V31-L35 HydrophobicContact CG1-CD1 3.98Å; V31-L35 HydrophobicContact CG1-CG 4.48Å; V31-L35 WeakPolarHBondContact O-CB 3.2Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 3.36Å; L32-L35 PolarHBondContact O-N 3.18Å; L35-V37 PolarHBondContact O-N 3.48Å; L35-K38 PolarHBondContact O-N 3Å; L35-F39 VanDerWaalsContact O-CB 3.28Å; L35-F39 WeakPolarHBondContact O-CB 3.5Å; L35-F39 PolarHBondContact O-N 3.42Å
36A76.8Confident69.4Low53 Ų53104.7 Ų104.744%0.43857%0.57SS.*Hα-helixtrans-61.3-44.2175.600000111.5L32 L33 F39 T40L32-A36 VanDerWaalsContact O-CB 3.22Å; L32-A36 WeakPolarHBondContact O-CB 3.23Å; L32-A36 PolarHBondContact O-N 3.05Å; L33-A36 PolarHBondContact O-N 3.35Å; A36-F39 PolarHBondContact O-N 3.49Å; A36-T40 WeakPolarHBondContact O-CB 3.5Å; A36-T40 WeakPolarHBondContact O-CG2 3.46Å; A36-T40 PolarHBondContact O-N 3.3Å; A36-T40 PolarHBondContact O-OG1 3.02Å
37V75.5Confident68.4Low77 Ų77110.8 Ų110.847%0.46759%0.585SS.*Hα-helixtrans-65.1-42.2175.5172.20000111.4L33 I34 L35 F39 T40 C41L33-V37 WeakPolarHBondContact O-CB 3.48Å; L33-V37 VanDerWaalsContact O-CG2 3.28Å; L33-V37 WeakPolarHBondContact O-CG2 3.5Å; L33-V37 PolarHBondContact O-N 2.96Å; I34-V37 PolarHBondContact O-N 2.95Å; L35-V37 PolarHBondContact O-N 3.48Å; V37-F39 VanDerWaalsContact C-N 3.3Å; V37-F39 PolarHBondContact O-N 2.97Å; V37-T40 WeakPolarHBondContact CA-OG1 3.5Å; V37-T40 PolarHBondContact O-OG1 2.92Å; V37-C41 VanDerWaalsContact O-CB 3.22Å; V37-C41 WeakPolarHBondContact O-CB 3.3Å; V37-C41 PolarHBondContact O-N 3.39Å; V37-C41 PolarHBondContact O-SG 2.91Å
38K72.6Confident67.1Low145 Ų145113.5 Ų113.563%0.6360%0.601SS**Hα-helixtrans-64.7-35.2174.8-82.3-169.4175.6178.80112.3I34 L35 R42I34-K38 WeakPolarHBondContact O-CB 3.49Å; I34-K38 PolarHBondContact O-N 3.24Å; L35-K38 PolarHBondContact O-N 3Å; K38-R42 WeakPolarHBondContact O-CB 3.39Å; K38-R42 PolarHBondContact O-N 3.16Å
39F67.9Low66Low148 Ų148116.6 Ų116.665%0.64962%0.619SS**Hα-helixtrans-74.8-43.4179.9-147-89.1000111.4L35 A36 V37 C41 R42 C43L35-F39 VanDerWaalsContact O-CB 3.28Å; L35-F39 WeakPolarHBondContact O-CB 3.5Å; L35-F39 PolarHBondContact O-N 3.42Å; A36-F39 PolarHBondContact O-N 3.49Å; V37-F39 VanDerWaalsContact C-N 3.3Å; V37-F39 PolarHBondContact O-N 2.97Å; F39-C41 PolarHBondContact O-N 2.83Å; F39-R42 PolarHBondContact O-N 3.27Å; F39-C43 WeakPolarHBondContact O-CB 3.24Å; F39-C43 PolarHBondContact O-N 3.48Å; F39-C43 PolarHBondContact O-SG 3.25Å
40T61.7Low65Low90 Ų90116.9 Ų116.955%0.55263%0.626SS**Hα-helixtrans-66-37.2173.855.70000111.8A36 V37 S44A36-T40 WeakPolarHBondContact O-CB 3.5Å; A36-T40 WeakPolarHBondContact O-CG2 3.46Å; A36-T40 PolarHBondContact O-N 3.3Å; A36-T40 PolarHBondContact O-OG1 3.02Å; V37-T40 WeakPolarHBondContact CA-OG1 3.5Å; V37-T40 PolarHBondContact O-OG1 2.92Å; T40-S44 WeakPolarHBondContact O-CB 3.48Å; T40-S44 PolarHBondContact O-N 2.95Å
41C55.9Low64.3Low86 Ų86118.3 Ų118.358%0.58164%0.641SS**Hα-helixtrans-69.7-33.8172.7-72.70000113.5V37 F39V37-C41 VanDerWaalsContact O-CB 3.22Å; V37-C41 WeakPolarHBondContact O-CB 3.3Å; V37-C41 PolarHBondContact O-N 3.39Å; V37-C41 PolarHBondContact O-SG 2.91Å; F39-C41 PolarHBondContact O-N 2.83Å
42R56.6Low63.5Low215 Ų215119.5 Ų119.581%0.81166%0.659SS**Hα-helixtrans-74.2-34174.1-105.1-178.6172.7157.5-3.1113.1K38 F39 R45K38-R42 WeakPolarHBondContact O-CB 3.39Å; K38-R42 PolarHBondContact O-N 3.16Å; F39-R42 PolarHBondContact O-N 3.27Å; R42-R45 PolarHBondContact O-N 3.5Å
43C53.2Low62.9Low94 Ų94118 Ų11864%0.63566%0.662SS**Hα-helixtrans-77.1-22.1174-70.90000112.6F39 R45F39-C43 WeakPolarHBondContact O-CB 3.24Å; F39-C43 PolarHBondContact O-N 3.48Å; F39-C43 PolarHBondContact O-SG 3.25Å; C43-R45 PolarHBondContact O-N 3.47Å
44S50.8Low62.8Low87 Ų87123.6 Ų123.661%0.60868%0.675SS**THydrogen-bonded Turntrans-80.830.5167.2178.80000112.8T40 A46T40-S44 WeakPolarHBondContact O-CB 3.48Å; T40-S44 PolarHBondContact O-N 2.95Å; S44-A46 PolarHBondContact O-N 2.91Å
45R49.6Very low63Low224 Ų224123.7 Ų123.785%0.84568%0.682SS**  trans-69.678.3158.6-126.1-178.5170.3159.8-3.1106.7R42 C43 K47R42-R45 PolarHBondContact O-N 3.5Å; C43-R45 PolarHBondContact O-N 3.47Å; R45-K47 PolarHBondContact O-N 3.37Å
46A51.7Low63.5Low78 Ų78119.8 Ų119.865%0.64566%0.663SS**  trans-45.1115.2157.400000104.9S44 D48S44-A46 PolarHBondContact O-N 2.91Å; A46-D48 PolarHBondContact O-N 3.46Å
47K52Low64.1Low190 Ų190122.8 Ų122.883%0.82668%0.675SS**  trans-46.4121.3168.1-82175.1173.71740105R45 V49R45-K47 PolarHBondContact O-N 3.37Å; K47-V49 WeakPolarHBondContact O-CG2 3.46Å; K47-V49 PolarHBondContact O-N 3.27Å
48D50.3Low65Low152 Ų152126.7 Ų126.781%0.81368%0.682SS**  trans-46.7110173.3-81.6-46000106.8A46 V50A46-D48 PolarHBondContact O-N 3.46Å; D48-V50 PolarHBondContact O-N 3.39Å
49V55Low66Low142 Ų142120.7 Ų120.786%0.86166%0.656SS**SBendtrans-69.4-0.3-178.4-175.50000110.1K47 A51K47-V49 WeakPolarHBondContact O-CG2 3.46Å; K47-V49 PolarHBondContact O-N 3.27Å; V49-A51 PolarHBondContact O-N 3.02Å; V49-A51 VanDerWaalsContact O-N 3.12Å
50V58.8Low67.3Low125 Ų125114.1 Ų114.176%0.75863%0.627SS**  trans-82.987.9175.8-168.10000108.6D48 A52D48-V50 PolarHBondContact O-N 3.39Å; V50-A52 PolarHBondContact O-N 3.34Å
51A62.3Low68.7Low89 Ų89112.8 Ų112.874%0.73662%0.621SS**PPolyproline II helixtrans-51.6136.5163.400000109.5V49 A53V49-A51 PolarHBondContact O-N 3.02Å; V49-A51 VanDerWaalsContact O-N 3.12Å; A51-A53 PolarHBondContact O-N 3.5Å
52A64.9Low70.2Confident97 Ų97112.8 Ų112.880%0.80263%0.628SS**PPolyproline II helixtrans-54.8132.5175.100000109.4V50 R54V50-A52 PolarHBondContact O-N 3.34Å; A52-R54 PolarHBondContact O-N 2.94Å
53A67.9Low71.8Confident74 Ų74109.1 Ų109.161%0.61262%0.624SS**PPolyproline II helixtrans-56.8127.3179.500000109.3A51 W126A51-A53 PolarHBondContact O-N 3.5Å; A53-W126 HydrophobicContact CB-CZ3 4.18Å
54R77.8Confident73.6Confident227 Ų227105 Ų10586%0.85760%0.597SS**PPolyproline II helixtrans-54.4141.6175.2-66.7-177.7-177.7179.80109.3A52A52-R54 PolarHBondContact O-N 2.94Å
55P83.3Confident75.7Confident102 Ų102103.3 Ų103.366%0.66258%0.583SS**PPolyproline II helixtrans-58.8142.9177.825.6-33.6000109.7V57P55-V57 PolarHBondContact O-N 3Å
56P88.2Confident78Confident20 Ų2093.3 Ų93.313%0.1355%0.547CS..PPolyproline II helixtrans-67.6137.4-179.530.1-35.1000109.7Y70 L71 N123 W126P56-Y70 HydrophobicContact CB-CD2 4.41Å; P56-Y70 WeakPolarHBondContact CB-O 3.45Å; P56-Y70 HydrophobicContact CG-CD2 4.33Å; P56-Y70 WeakPolarHBondContact CG-O 3.31Å; P56-Y70 VanDerWaalsContact O-CD2 3.26Å; P56-Y70 WeakPolarHBondContact O-CD2 3.37Å; P56-L71 HydrophobicContact CG-CD2 3.89Å; P56-N123 WeakPolarHBondContact CB-ND2 3.24Å; P56-W126 HydrophobicContact CG-CD2 3.76Å; P56-W126 HydrophobicContact CG-CE3 4.1Å; P56-W126 HydrophobicContact CG-CG 3.96Å; P56-W126 HydrophobicContact CG-CZ2 4.49Å
57V90.9Very high80.1Confident116 Ų11691.9 Ų91.970%0.70353%0.531SS*.  trans-104165.6173.2-64.90000110P55 F59 Y70P55-V57 PolarHBondContact O-N 3Å; V57-F59 PolarHBondContact O-N 3.32Å; V57-Y70 WeakPolarHBondContact O-CB 3.36Å
58R92.8Very high82.2Confident159 Ų15983.6 Ų83.660%0.650%0.495SS*.  trans-57130171-69.8-175.1-178.3-144.63.1110D68 Y70R58-D68 WeakPolarHBondContact CA-OD2 3.32Å; R58-Y70 HydrophobicContact CB-CD1 4.42Å; R58-Y70 HydrophobicContact CG-CD1 3.52Å; R58-Y70 HydrophobicContact CG-CE1 3.55Å; R58-Y70 HydrophobicContact CG-CG 4.35Å
59F94.6Very high84.4Confident19 Ų1976.5 Ų76.58%0.08346%0.457CS..SBendtrans-82.4-41.2175.7-170.4-111.4000111.3V57 D68 F90 Y92 P94 S99 M100 R103V57-F59 PolarHBondContact O-N 3.32Å; F59-D68 WeakPolarHBondContact CA-OD2 3.3Å; F59-D68 PolarHBondContact N-OD2 2.87Å; F59-F90 HydrophobicContact CD1-CE1 4.3Å; F59-F90 AromaticContact CE1-CE1 3.8Å; F59-F90 HydrophobicContact CE1-CE1 3.8Å; F59-F90 HydrophobicContact CE1-CZ 4.46Å; F59-Y92 HydrophobicContact CB-CD2 4.25Å; F59-Y92 HydrophobicContact CB-CE1 4.15Å; F59-Y92 HydrophobicContact CB-CE2 3.42Å; F59-Y92 VanDerWaalsContact CB-CE2 3.42Å; F59-Y92 VanDerWaalsContact CB-OH 3.25Å; F59-Y92 WeakPolarHBondContact CB-OH 3.4Å; F59-Y92 HydrophobicContact CD1-CD1 4.3Å; F59-Y92 AromaticContact CD1-CD2 3.89Å; F59-Y92 HydrophobicContact CD1-CD2 3.89Å; F59-Y92 HydrophobicContact CD1-CE1 4.29Å; F59-Y92 AromaticContact CD1-CE2 3.92Å; F59-Y92 HydrophobicContact CD1-CE2 3.92Å; F59-Y92 HydrophobicContact CD1-CG 4.11Å; F59-Y92 AromaticContact CD2-CD2 3.93Å; F59-Y92 HydrophobicContact CD2-CD2 3.93Å; F59-Y92 AromaticContact CD2-CE2 3.74Å; F59-Y92 HydrophobicContact CD2-CE2 3.74Å; F59-Y92 HydrophobicContact CE1-CD2 4.18Å; F59-Y92 HydrophobicContact CE1-CG 4.29Å; F59-Y92 HydrophobicContact CE2-CD2 4.21Å; F59-Y92 HydrophobicContact CE2-CE2 4.47Å; F59-Y92 AromaticContact CG-CD2 3.76Å; F59-Y92 HydrophobicContact CG-CD2 3.76Å; F59-Y92 HydrophobicContact CG-CE1 4.4Å; F59-Y92 AromaticContact CG-CE2 3.43Å; F59-Y92 HydrophobicContact CG-CE2 3.43Å; F59-Y92 VanDerWaalsContact CG-CE2 3.43Å; F59-Y92 HydrophobicContact CG-CG 4.42Å; F59-Y92 AromaticContact CG-CZ 3.77Å; F59-Y92 HydrophobicContact CZ-CD2 4.32Å; F59-P94 HydrophobicContact CD2-CB 4.32Å; F59-S99 WeakPolarHBondContact CZ-O 3.27Å; F59-M100 HydrophobicContact CE2-CG 4.25Å; F59-M100 HydrophobicContact CZ-CG 4.48Å; F59-R103 HydrophobicContact CD1-CB 4.39Å; F59-R103 HydrophobicContact CD1-CG 3.87Å; F59-R103 HydrophobicContact CE1-CB 3.52Å; F59-R103 HydrophobicContact CE1-CG 3.5Å; F59-R103 HydrophobicContact CZ-CB 3.84Å; F59-R103 HydrophobicContact CZ-CG 4.09Å; F59-R103 WeakPolarHBondContact O-CD 3.39Å; F59-R103 PolarHBondContact O-NH1 3.17Å
60F95.3Very high86.2Confident10 Ų1072.9 Ų72.94%0.04443%0.429CS..SBendtrans-92.7150.6175.7-69.6-92.4000111.9A64 V66 D68 F90 R103 V106 A121F60-A64 HydrophobicContact CB-CB 4.39Å; F60-A64 HydrophobicContact CD1-CB 4.43Å; F60-V66 HydrophobicContact CD1-CB 4.24Å; F60-V66 HydrophobicContact CD1-CG1 4.38Å; F60-V66 HydrophobicContact CD1-CG2 4.18Å; F60-V66 HydrophobicContact CD2-CG1 4.02Å; F60-V66 HydrophobicContact CE1-CG1 4.44Å; F60-V66 HydrophobicContact CE1-CG2 4.28Å; F60-V66 HydrophobicContact CE2-CG1 4.1Å; F60-V66 HydrophobicContact CG-CB 4.21Å; F60-V66 HydrophobicContact CG-CG1 4.17Å; F60-V66 HydrophobicContact CZ-CG1 4.32Å; F60-D68 HydrophobicContact CB-CB 4.43Å; F60-D68 HydrophobicContact CD2-CB 4.39Å; F60-D68 PolarHBondContact N-OD2 3.36Å; F60-D68 VanDerWaalsContact N-OD2 3.14Å; F60-F90 AromaticContact CE2-CD1 3.81Å; F60-F90 HydrophobicContact CE2-CD1 3.81Å; F60-F90 HydrophobicContact CE2-CE1 4.05Å; F60-F90 AromaticContact CZ-CD1 3.85Å; F60-F90 HydrophobicContact CZ-CD1 3.85Å; F60-F90 AromaticContact CZ-CE1 3.96Å; F60-F90 HydrophobicContact CZ-CE1 3.96Å; F60-R103 HydrophobicContact CD1-CG 4.01Å; F60-R103 HydrophobicContact CE1-CG 3.77Å; F60-R103 WeakPolarHBondContact CE1-O 3.44Å; F60-R103 HydrophobicContact CZ-CG 4.1Å; F60-V106 HydrophobicContact CE1-CB 4.32Å; F60-V106 HydrophobicContact CE1-CG1 4.16Å; F60-V106 HydrophobicContact CZ-CB 4.3Å; F60-V106 HydrophobicContact CZ-CG1 4.03Å; F60-A121 HydrophobicContact CD2-CB 3.68Å; F60-A121 HydrophobicContact CE2-CB 3.33Å; F60-A121 HydrophobicContact CZ-CB 4.35Å
61S90.9Very high87.9Confident63 Ų6370.3 Ų70.344%0.44141%0.41SS..  trans-70.5158.7173.262.60000111.1D63 A64S61-D63 PolarHBondContact O-N 3.04Å; S61-A64 PolarHBondContact O-N 2.97Å
62A88Confident89.4Confident86 Ų8666 Ų6671%0.71138%0.375SS*.THydrogen-bonded Turntrans-62.9-26.517800000113A64A62-A64 VanDerWaalsContact C-N 3.31Å; A62-A64 PolarHBondContact O-N 2.79Å
63D88.8Confident90.7Very high138 Ų13865 Ų6574%0.73835%0.354SS*.THydrogen-bonded Turntrans-78.8-13.6-179.8-43.9-48.1000113.4S61S61-D63 PolarHBondContact O-N 3.04Å
64A92.4Very high91.9Very high7 Ų762.4 Ų62.46%0.05833%0.33CS..SBendtrans-79.1131.2177.200000109.4F60 S61 A62 V66 S107F60-A64 HydrophobicContact CB-CB 4.39Å; F60-A64 HydrophobicContact CD1-CB 4.43Å; S61-A64 PolarHBondContact O-N 2.97Å; A62-A64 VanDerWaalsContact C-N 3.31Å; A62-A64 PolarHBondContact O-N 2.79Å; A64-V66 HydrophobicContact CB-CG2 4.41Å; A64-V66 PolarHBondContact O-N 3.46Å; A64-S107 WeakPolarHBondContact CB-OG 3.31Å
65P94.8Very high92.6Very high51 Ų5155.4 Ų55.433%0.33131%0.309SS..SBendtrans-77.154176.633-35.1000111.2A110 K111 A114P65-A110 HydrophobicContact CG-CB 4.02Å; P65-A110 WeakPolarHBondContact CG-O 3.36Å; P65-K111 HydrophobicContact CG-CG 4.11Å; P65-A114 HydrophobicContact CB-CB 3.83Å; P65-A114 HydrophobicContact CG-CB 3.95Å
66V96.7Very high93.1Very high14 Ų1454.2 Ų54.29%0.08530%0.295CS..  trans-127.4121.2-179.7-177.90000108F60 A64 D68 A110 F119 A121F60-V66 HydrophobicContact CD1-CB 4.24Å; F60-V66 HydrophobicContact CD1-CG1 4.38Å; F60-V66 HydrophobicContact CD1-CG2 4.18Å; F60-V66 HydrophobicContact CD2-CG1 4.02Å; F60-V66 HydrophobicContact CE1-CG1 4.44Å; F60-V66 HydrophobicContact CE1-CG2 4.28Å; F60-V66 HydrophobicContact CE2-CG1 4.1Å; F60-V66 HydrophobicContact CG-CB 4.21Å; F60-V66 HydrophobicContact CG-CG1 4.17Å; F60-V66 HydrophobicContact CZ-CG1 4.32Å; A64-V66 HydrophobicContact CB-CG2 4.41Å; A64-V66 PolarHBondContact O-N 3.46Å; V66-D68 PolarHBondContact O-N 3.43Å; V66-D68 VanDerWaalsContact O-N 3.13Å; V66-A110 HydrophobicContact CG2-CB 3.47Å; V66-A110 VanDerWaalsContact CG2-CB 3.47Å; V66-F119 HydrophobicContact CB-CB 4.4Å; V66-F119 HydrophobicContact CG1-CB 4.32Å; V66-F119 HydrophobicContact CG2-CB 4.03Å; V66-A121 HydrophobicContact CG1-CB 3.78Å
67V95.9Very high93.3Very high49 Ų4953.7 Ų53.730%0.29729%0.291SS..EExtended strand (participates in β ladder)trans-76.9102.7176.5-178.30000109L69 L80 F119 V120 A121V67-L69 HydrophobicContact CG1-CD2 3.96Å; V67-L69 HydrophobicContact CG1-CG 4.4Å; V67-L80 HydrophobicContact CB-CD1 4.31Å; V67-L80 HydrophobicContact CG1-CD1 3.9Å; V67-F119 PolarHBondContact N-O 3.44Å; V67-V120 HydrophobicContact CB-CG2 4.49Å; V67-V120 CarbonylContact O-C 3.44Å; V67-V120 WeakPolarHBondContact O-CA 3.25Å; V67-A121 PolarHBondContact O-N 2.89Å
68D96.3Very high93.4Very high15 Ų1553.3 Ų53.38%0.0828%0.281CS..EExtended strand (participates in β ladder)trans-91.5107.5-176.6-173.511.5000112.9R58 F59 F60 V66 Y70 Y92R58-D68 WeakPolarHBondContact CA-OD2 3.32Å; F59-D68 WeakPolarHBondContact CA-OD2 3.3Å; F59-D68 PolarHBondContact N-OD2 2.87Å; F60-D68 HydrophobicContact CB-CB 4.43Å; F60-D68 HydrophobicContact CD2-CB 4.39Å; F60-D68 PolarHBondContact N-OD2 3.36Å; F60-D68 VanDerWaalsContact N-OD2 3.14Å; V66-D68 PolarHBondContact O-N 3.43Å; V66-D68 VanDerWaalsContact O-N 3.13Å; D68-Y70 WeakPolarHBondContact O-CD1 3.47Å; D68-Y70 PolarHBondContact O-N 2.96Å; D68-Y92 PolarHBondContact OD1-OH 2.89Å
69L95.9Very high93.3Very high4 Ų454.4 Ų54.42%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-95.165.2177.8-53.4-178.6000110.1V67 L71 G72 Q76 V77 V120 A121 V122 N123V67-L69 HydrophobicContact CG1-CD2 3.96Å; V67-L69 HydrophobicContact CG1-CG 4.4Å; L69-L71 PolarHBondContact O-N 2.87Å; L69-L71 VanDerWaalsContact O-N 3.16Å; L69-G72 PolarHBondContact O-N 3.42Å; L69-Q76 HydrophobicContact CD1-CB 4.03Å; L69-Q76 HydrophobicContact CD1-CG 4.24Å; L69-Q76 HydrophobicContact CD2-CB 4.5Å; L69-Q76 HydrophobicContact CD2-CG 4.18Å; L69-V77 HydrophobicContact CD1-CG2 3.54Å; L69-V120 HydrophobicContact CD1-CG1 3.73Å; L69-V120 HydrophobicContact CG-CG1 4.11Å; L69-A121 WeakPolarHBondContact CA-O 3.33Å; L69-A121 WeakPolarHBondContact CB-O 3.49Å; L69-A121 PolarHBondContact N-O 3.22Å; L69-V122 HydrophobicContact CB-CG2 4.45Å; L69-V122 HydrophobicContact CD1-CG2 4.4Å; L69-N123 PolarHBondContact O-N 3.3Å
70Y94.3Very high93.2Very high65 Ų6555 Ų5526%0.25529%0.289SS..THydrogen-bonded Turntrans-65.3-14.8-175.159.7-87.6000114.7P56 V57 R58 D68 G72 N123P56-Y70 HydrophobicContact CB-CD2 4.41Å; P56-Y70 WeakPolarHBondContact CB-O 3.45Å; P56-Y70 HydrophobicContact CG-CD2 4.33Å; P56-Y70 WeakPolarHBondContact CG-O 3.31Å; P56-Y70 VanDerWaalsContact O-CD2 3.26Å; P56-Y70 WeakPolarHBondContact O-CD2 3.37Å; V57-Y70 WeakPolarHBondContact O-CB 3.36Å; R58-Y70 HydrophobicContact CB-CD1 4.42Å; R58-Y70 HydrophobicContact CG-CD1 3.52Å; R58-Y70 HydrophobicContact CG-CE1 3.55Å; R58-Y70 HydrophobicContact CG-CG 4.35Å; D68-Y70 WeakPolarHBondContact O-CD1 3.47Å; D68-Y70 PolarHBondContact O-N 2.96Å; Y70-G72 VanDerWaalsContact C-N 3.34Å; Y70-N123 VanDerWaalsContact O-CB 3.23Å; Y70-N123 WeakPolarHBondContact O-CB 3.49Å; Y70-N123 PolarHBondContact O-ND2 3.03Å
71L93.8Very high93.1Very high71 Ų7156.1 Ų56.137%0.37229%0.294SS..THydrogen-bonded Turntrans-86.3-2.1171.8-64.4173.7000113.3P56 L69 Q73 G129P56-L71 HydrophobicContact CG-CD2 3.89Å; L69-L71 PolarHBondContact O-N 2.87Å; L69-L71 VanDerWaalsContact O-N 3.16Å; L71-Q73 HydrophobicContact CB-CG 4.12Å; L71-G129 WeakPolarHBondContact O-CA 3.45Å
72G93.2Very high93Very high0 Ų057.6 Ų57.60%031%0.305CS..  trans73.837.8179.800000113.8L69 Y70 L74 N123 K130 C131L69-G72 PolarHBondContact O-N 3.42Å; Y70-G72 VanDerWaalsContact C-N 3.34Å; G72-L74 PolarHBondContact O-N 3.45Å; G72-L74 VanDerWaalsContact O-N 3.12Å; G72-N123 WeakPolarHBondContact CA-O 3.17Å; G72-K130 PolarHBondContact O-N 2.89Å; G72-K130 VanDerWaalsContact O-N 3.13Å; G72-C131 PolarHBondContact O-N 3.18Å; G72-C131 VanDerWaalsContact O-N 3.08Å
73Q93.9Very high93.1Very high76 Ų7661.1 Ų61.136%0.35531%0.308SS..  trans-78.680.7-176.4-67.2160.8-65.600112.4L71 D75 Q76L71-Q73 HydrophobicContact CB-CG 4.12Å; Q73-D75 VanDerWaalsContact C-N 3.31Å; Q73-D75 PolarHBondContact O-N 3.39Å; Q73-Q76 HydrophobicContact CB-CB 4.46Å; Q73-Q76 PolarHBondContact O-N 3.29Å
74L92.7Very high93.2Very high19 Ų1955.7 Ų55.710%0.09928%0.283CS..Hα-helixtrans-63-28.6-179.1-77.9-175.6000114.9G72 Q76 V77 E78 F91 V122 K130 C131 Q134 K135G72-L74 PolarHBondContact O-N 3.45Å; G72-L74 VanDerWaalsContact O-N 3.12Å; L74-Q76 PolarHBondContact O-N 3.32Å; L74-V77 HydrophobicContact CD2-CG2 4.22Å; L74-V77 VanDerWaalsContact O-CB 3.31Å; L74-V77 WeakPolarHBondContact O-CB 3.44Å; L74-V77 PolarHBondContact O-N 2.94Å; L74-V77 VanDerWaalsContact O-N 3.14Å; L74-E78 PolarHBondContact O-N 3.43Å; L74-F91 HydrophobicContact CD2-CE1 4.23Å; L74-V122 HydrophobicContact CD2-CG1 4.37Å; L74-K130 HydrophobicContact CB-CB 4.47Å; L74-C131 HydrophobicContact CD1-CB 4.19Å; L74-C131 HydrophobicContact CD2-CB 4.06Å; L74-C131 HydrophobicContact CG-CB 3.86Å; L74-Q134 HydrophobicContact CD1-CB 4.09Å; L74-K135 HydrophobicContact CD1-CG 4.08Å
75D92.4Very high93.2Very high79 Ų7960.7 Ų60.742%0.42231%0.305SS..Hα-helixtrans-65.4-33.1-178.7-38.8-71.2000111.7Q73 V77 E78 R79 K130Q73-D75 VanDerWaalsContact C-N 3.31Å; Q73-D75 PolarHBondContact O-N 3.39Å; D75-V77 VanDerWaalsContact C-N 3.34Å; D75-E78 PolarHBondContact O-N 2.9Å; D75-R79 PolarHBondContact O-N 3.42Å; D75-K130 IonicContact OD1-NZ 2.71Å; D75-K130 PolarHBondContact OD1-NZ 3.41Å; D75-K130 VanDerWaalsContact OD1-NZ 3.12Å; D75-K130 VanDerWaalsContact OD2-CD 3.31Å; D75-K130 WeakPolarHBondContact OD2-CD 3.22Å; D75-K130 WeakPolarHBondContact OD2-CE 3.26Å; D75-K130 IonicContact OD2-NZ 2.76Å; D75-K130 PolarHBondContact OD2-NZ 3.49Å
76Q93.9Very high93.3Very high77 Ų7758.5 Ų58.536%0.3629%0.291SS..Hα-helixtrans-71.4-32.6176.7-172.3169.5600111.5L69 Q73 L74 E78 R79 L80L69-Q76 HydrophobicContact CD1-CB 4.03Å; L69-Q76 HydrophobicContact CD1-CG 4.24Å; L69-Q76 HydrophobicContact CD2-CB 4.5Å; L69-Q76 HydrophobicContact CD2-CG 4.18Å; Q73-Q76 HydrophobicContact CB-CB 4.46Å; Q73-Q76 PolarHBondContact O-N 3.29Å; L74-Q76 PolarHBondContact O-N 3.32Å; Q76-E78 VanDerWaalsContact C-N 3.33Å; Q76-E78 PolarHBondContact O-N 3.03Å; Q76-R79 PolarHBondContact O-N 3.32Å; Q76-L80 HydrophobicContact CG-CD1 4.07Å; Q76-L80 HydrophobicContact CG-CG 4.38Å; Q76-L80 VanDerWaalsContact O-CG 3.29Å; Q76-L80 WeakPolarHBondContact O-CG 3.31Å; Q76-L80 PolarHBondContact O-N 3.21Å
77V92.9Very high93.3Very high9 Ų957.9 Ų57.96%0.05529%0.287CS..Hα-helixtrans-59.4-45.2173.7-177.60000110.7L69 L74 D75 R79 L80 K81 I89 V120 V122L69-V77 HydrophobicContact CD1-CG2 3.54Å; L74-V77 HydrophobicContact CD2-CG2 4.22Å; L74-V77 VanDerWaalsContact O-CB 3.31Å; L74-V77 WeakPolarHBondContact O-CB 3.44Å; L74-V77 PolarHBondContact O-N 2.94Å; L74-V77 VanDerWaalsContact O-N 3.14Å; D75-V77 VanDerWaalsContact C-N 3.34Å; V77-R79 VanDerWaalsContact C-N 3.34Å; V77-R79 PolarHBondContact O-N 3.45Å; V77-L80 PolarHBondContact O-N 3.11Å; V77-K81 VanDerWaalsContact O-CB 3.29Å; V77-K81 WeakPolarHBondContact O-CB 3.35Å; V77-K81 PolarHBondContact O-N 3.44Å; V77-I89 HydrophobicContact CG1-CD1 3.31Å; V77-I89 HydrophobicContact CG1-CG1 3.99Å; V77-I89 HydrophobicContact CG1-CG2 4.26Å; V77-V120 HydrophobicContact CG2-CG1 4.28Å; V77-V122 HydrophobicContact CG2-CG2 3.53Å
78E91.3Very high93.3Very high108 Ų10855.6 Ų55.651%0.50527%0.273SS..Hα-helixtrans-64-39.3-178.9-168.559.9-151.600112.1L74 D75 Q76 K81 S82L74-E78 PolarHBondContact O-N 3.43Å; D75-E78 PolarHBondContact O-N 2.9Å; Q76-E78 VanDerWaalsContact C-N 3.33Å; Q76-E78 PolarHBondContact O-N 3.03Å; E78-K81 PolarHBondContact O-N 2.9Å; E78-K81 WeakPolarHBondContact OE1-CE 3.48Å; E78-K81 IonicContact OE1-NZ 3.56Å; E78-K81 PolarHBondContact OE1-NZ 3.1Å; E78-K81 WeakPolarHBondContact OE2-CE 3.25Å; E78-K81 IonicContact OE2-NZ 3.36Å; E78-K81 PolarHBondContact OE2-NZ 3.15Å; E78-S82 PolarHBondContact O-N 2.9Å
79R92.1Very high93.4Very high183 Ų18355.1 Ų55.169%0.69127%0.27SS*.Hα-helixtrans-65.5-48.1175.2-66.6178.1-176.4-179.1-0.3112.1D75 Q76 V77 K81 S82 M83D75-R79 PolarHBondContact O-N 3.42Å; Q76-R79 PolarHBondContact O-N 3.32Å; V77-R79 VanDerWaalsContact C-N 3.34Å; V77-R79 PolarHBondContact O-N 3.45Å; R79-K81 PolarHBondContact O-N 3.44Å; R79-S82 PolarHBondContact O-N 2.94Å; R79-S82 PolarHBondContact O-OG 3.38Å; R79-M83 WeakPolarHBondContact O-CG 3.45Å; R79-M83 PolarHBondContact O-N 2.98Å
80L92.5Very high93.5Very high30 Ų3054.9 Ų54.916%0.15727%0.269CS..Hα-helixtrans-62-37178.5-69.2171.7000111.2V67 Q76 V77 S82 M83 V120V67-L80 HydrophobicContact CB-CD1 4.31Å; V67-L80 HydrophobicContact CG1-CD1 3.9Å; Q76-L80 HydrophobicContact CG-CD1 4.07Å; Q76-L80 HydrophobicContact CG-CG 4.38Å; Q76-L80 VanDerWaalsContact O-CG 3.29Å; Q76-L80 WeakPolarHBondContact O-CG 3.31Å; Q76-L80 PolarHBondContact O-N 3.21Å; V77-L80 PolarHBondContact O-N 3.11Å; L80-S82 VanDerWaalsContact C-N 3.34Å; L80-S82 PolarHBondContact O-N 3.22Å; L80-M83 PolarHBondContact O-N 3.36Å; L80-V120 HydrophobicContact CB-CG2 4.24Å; L80-V120 HydrophobicContact CD1-CG1 4.26Å; L80-V120 HydrophobicContact CD1-CG2 3.81Å
81K91.9Very high93.6Very high34 Ų3452.2 Ų52.215%0.14826%0.259CS..Hα-helixtrans-62.5-37.8176.1-170.2-17174.4-169.10112.9V77 E78 R79 M83 S87 F146V77-K81 VanDerWaalsContact O-CB 3.29Å; V77-K81 WeakPolarHBondContact O-CB 3.35Å; V77-K81 PolarHBondContact O-N 3.44Å; E78-K81 PolarHBondContact O-N 2.9Å; E78-K81 WeakPolarHBondContact OE1-CE 3.48Å; E78-K81 IonicContact OE1-NZ 3.56Å; E78-K81 PolarHBondContact OE1-NZ 3.1Å; E78-K81 WeakPolarHBondContact OE2-CE 3.25Å; E78-K81 IonicContact OE2-NZ 3.36Å; E78-K81 PolarHBondContact OE2-NZ 3.15Å; R79-K81 PolarHBondContact O-N 3.44Å; K81-M83 VanDerWaalsContact C-N 3.28Å; K81-M83 PolarHBondContact O-N 3.41Å; K81-S87 WeakPolarHBondContact CA-OG 3.47Å; K81-F146 HydrophobicContact CD-CB 4.16Å; K81-F146 HydrophobicContact CD-CD1 3.74Å; K81-F146 HydrophobicContact CD-CD2 4.3Å; K81-F146 HydrophobicContact CD-CE1 4.15Å; K81-F146 HydrophobicContact CD-CG 3.8Å; K81-F146 HydrophobicContact CG-CB 4.16Å; K81-F146 HydrophobicContact CG-CG 4.28Å
82S89.6Confident93.8Very high95 Ų9548.9 Ų48.966%0.66424%0.242SC*.Hα-helixtrans-74.6-17.2179.366.80000114E78 R79 L80E78-S82 PolarHBondContact O-N 2.9Å; R79-S82 PolarHBondContact O-N 2.94Å; R79-S82 PolarHBondContact O-OG 3.38Å; L80-S82 VanDerWaalsContact C-N 3.34Å; L80-S82 PolarHBondContact O-N 3.22Å
83M89.3Confident93.8Very high159 Ų15948.9 Ų48.978%0.78324%0.242SC*.Hα-helixtrans-91.2-16.4-176.9-67.1177.270.600113.4R79 L80 K81R79-M83 WeakPolarHBondContact O-CG 3.45Å; R79-M83 PolarHBondContact O-N 2.98Å; L80-M83 PolarHBondContact O-N 3.36Å; K81-M83 VanDerWaalsContact C-N 3.28Å; K81-M83 PolarHBondContact O-N 3.41Å
84A91.7Very high93.8Very high25 Ų2547.9 Ų47.921%0.20724%0.241CC..  trans-116.4146.1-176.200000111.8Q118A84-Q118 HydrophobicContact CB-CB 3.51Å; A84-Q118 HydrophobicContact CB-CG 4.38Å
85E92.1Very high93.6Very high112 Ų11253.7 Ų53.752%0.52326%0.262SS..SBendtrans-68.8-39.5173.6-65.7-156.9123.100111.9Y147 R148E85-Y147 CarbonylContact O-C 3.56Å; E85-Y147 WeakPolarHBondContact O-CA 3.39Å; E85-R148 PolarHBondContact O-N 2.77Å; E85-R148 IonicContact OE1-CZ 3Å; E85-R148 IonicContact OE1-NE 2.67Å; E85-R148 PolarHBondContact OE1-NE 2.93Å; E85-R148 IonicContact OE1-NH2 2.69Å; E85-R148 PolarHBondContact OE1-NH2 3.03Å
86V96.2Very high93.7Very high4 Ų450.5 Ų50.52%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-126.5127.4174.2-175.70000109.2V117 Q118 F146 Y147 V171 I172V86-V117 HydrophobicContact CB-CG2 4.14Å; V86-V117 HydrophobicContact CG1-CG1 4.14Å; V86-V117 HydrophobicContact CG1-CG2 4.02Å; V86-Q118 PolarHBondContact O-N 3.02Å; V86-F146 VanDerWaalsContact CA-O 3.3Å; V86-F146 WeakPolarHBondContact CA-O 3.41Å; V86-Y147 HydrophobicContact CG2-CD2 3.79Å; V86-Y147 HydrophobicContact CG2-CE2 4.2Å; V86-V171 HydrophobicContact CG1-CG1 4.26Å; V86-I172 HydrophobicContact CG1-CG1 4.4Å; V86-I172 HydrophobicContact CG2-CG1 4.19Å
87S96.8Very high93.7Very high2 Ų250.1 Ų50.11%0.01426%0.256CS..EExtended strand (participates in β ladder)trans-119.1129.4177.4-61.70000110.6K81 Q118 L145 F146K81-S87 WeakPolarHBondContact CA-OG 3.47Å; S87-Q118 WeakPolarHBondContact CA-O 3.31Å; S87-L145 CarbonylContact O-C 3.59Å; S87-L145 VanDerWaalsContact O-CA 3.32Å; S87-L145 WeakPolarHBondContact O-CA 3.32Å; S87-F146 PolarHBondContact N-O 3.36Å; S87-F146 PolarHBondContact O-N 2.86Å
88F97.6Very high93.6Very high1 Ų155.6 Ų55.60%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-106.9115.6175.3-176.6-76000108.8F90 V106 V117 Q118 F119 V120 I143 L145 I164F88-F90 HydrophobicContact CE1-CB 4.05Å; F88-V106 HydrophobicContact CE1-CG1 3.92Å; F88-V106 HydrophobicContact CE1-CG2 4.31Å; F88-V106 HydrophobicContact CZ-CG1 4.49Å; F88-V106 HydrophobicContact CZ-CG2 4.27Å; F88-V117 HydrophobicContact CB-CG1 3.68Å; F88-Q118 PolarHBondContact N-O 3.27Å; F88-F119 HydrophobicContact CB-CD1 3.68Å; F88-F119 HydrophobicContact CB-CE1 3.82Å; F88-F119 HydrophobicContact CB-CG 4.24Å; F88-F119 HydrophobicContact CB-CZ 4.48Å; F88-F119 AromaticContact CD1-CD1 3.45Å; F88-F119 HydrophobicContact CD1-CD1 3.45Å; F88-F119 VanDerWaalsContact CD1-CD1 3.45Å; F88-F119 AromaticContact CD1-CE1 3.82Å; F88-F119 HydrophobicContact CD1-CE1 3.82Å; F88-F119 HydrophobicContact CD1-CG 4.5Å; F88-F119 HydrophobicContact CD2-CD1 4.26Å; F88-F119 AromaticContact CD2-CE1 3.8Å; F88-F119 HydrophobicContact CD2-CE1 3.8Å; F88-F119 HydrophobicContact CE1-CD1 4.08Å; F88-F119 HydrophobicContact CE1-CE1 4.27Å; F88-F119 HydrophobicContact CE2-CE1 4.26Å; F88-F119 AromaticContact CG-CD1 3.55Å; F88-F119 HydrophobicContact CG-CD1 3.55Å; F88-F119 AromaticContact CG-CE1 3.55Å; F88-F119 HydrophobicContact CG-CE1 3.55Å; F88-F119 HydrophobicContact CZ-CE1 4.47Å; F88-V120 PolarHBondContact O-N 2.97Å; F88-I143 HydrophobicContact CD2-CG2 4.13Å; F88-I143 HydrophobicContact CE1-CG1 4.23Å; F88-I143 HydrophobicContact CE1-CG2 3.99Å; F88-I143 HydrophobicContact CE2-CG2 3.43Å; F88-I143 VanDerWaalsContact CE2-CG2 3.43Å; F88-I143 HydrophobicContact CZ-CB 4.26Å; F88-I143 HydrophobicContact CZ-CD1 3.81Å; F88-I143 HydrophobicContact CZ-CG1 3.86Å; F88-I143 HydrophobicContact CZ-CG2 3.36Å; F88-L145 HydrophobicContact CD2-CD1 3.78Å; F88-L145 HydrophobicContact CD2-CD2 4.1Å; F88-L145 HydrophobicContact CD2-CG 3.87Å; F88-L145 HydrophobicContact CE2-CD1 4Å; F88-I164 HydrophobicContact CE2-CG2 3.61Å; F88-I164 HydrophobicContact CZ-CG2 3.79Å
89I97.3Very high93.9Very high4 Ų450.5 Ų50.52%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-114.3115.1-177.7-57.7166.1000109.7V77 F91 V120 V122 I143 H144 F146V77-I89 HydrophobicContact CG1-CD1 3.31Å; V77-I89 HydrophobicContact CG1-CG1 3.99Å; V77-I89 HydrophobicContact CG1-CG2 4.26Å; I89-F91 HydrophobicContact CB-CE2 4.19Å; I89-F91 HydrophobicContact CB-CZ 4.22Å; I89-F91 HydrophobicContact CG2-CD1 4.12Å; I89-F91 HydrophobicContact CG2-CD2 4.16Å; I89-F91 HydrophobicContact CG2-CE1 3.59Å; I89-F91 HydrophobicContact CG2-CE2 3.59Å; I89-F91 HydrophobicContact CG2-CG 4.42Å; I89-F91 HydrophobicContact CG2-CZ 3.3Å; I89-V120 CarbonylContact C-O 3.56Å; I89-V120 VanDerWaalsContact CA-O 3.31Å; I89-V120 WeakPolarHBondContact CA-O 3.47Å; I89-V120 HydrophobicContact CG1-CB 4.42Å; I89-V122 HydrophobicContact CG2-CG2 4.08Å; I89-I143 WeakPolarHBondContact O-CA 3.25Å; I89-H144 PolarHBondContact N-O 2.99Å; I89-H144 PolarHBondContact O-N 3.39Å; I89-F146 HydrophobicContact CD1-CD2 3.73Å; I89-F146 HydrophobicContact CD1-CE2 3.54Å; I89-F146 HydrophobicContact CD1-CZ 4.49Å; I89-F146 HydrophobicContact CG1-CD2 4.49Å; I89-F146 HydrophobicContact CG1-CE2 4.47Å
90F97.7Very high94Very high0 Ų046.1 Ų46.10%025%0.245CC..EExtended strand (participates in β ladder)trans-100.8102.8178.7-179.8-112.8000110.6F59 F60 F88 Y92 A102 V106 V120 A121 V122 P141 I143F59-F90 HydrophobicContact CD1-CE1 4.3Å; F59-F90 AromaticContact CE1-CE1 3.8Å; F59-F90 HydrophobicContact CE1-CE1 3.8Å; F59-F90 HydrophobicContact CE1-CZ 4.46Å; F60-F90 AromaticContact CE2-CD1 3.81Å; F60-F90 HydrophobicContact CE2-CD1 3.81Å; F60-F90 HydrophobicContact CE2-CE1 4.05Å; F60-F90 AromaticContact CZ-CD1 3.85Å; F60-F90 HydrophobicContact CZ-CD1 3.85Å; F60-F90 AromaticContact CZ-CE1 3.96Å; F60-F90 HydrophobicContact CZ-CE1 3.96Å; F88-F90 HydrophobicContact CE1-CB 4.05Å; F90-Y92 AromaticContact CD1-CD1 3.79Å; F90-Y92 HydrophobicContact CD1-CD1 3.79Å; F90-Y92 HydrophobicContact CD1-CG 4.21Å; F90-Y92 VanDerWaalsContact CE1-CB 3.44Å; F90-Y92 AromaticContact CE1-CD1 3.97Å; F90-Y92 HydrophobicContact CE1-CD1 3.97Å; F90-Y92 AromaticContact CE1-CG 3.93Å; F90-Y92 HydrophobicContact CE1-CG 3.93Å; F90-A102 HydrophobicContact CE2-CB 4Å; F90-A102 HydrophobicContact CZ-CB 4.04Å; F90-V106 HydrophobicContact CD2-CG2 4.1Å; F90-V106 HydrophobicContact CE2-CG2 4.16Å; F90-V120 PolarHBondContact N-O 3.36Å; F90-A121 HydrophobicContact CB-CB 4.37Å; F90-A121 HydrophobicContact CD1-CB 4.1Å; F90-A121 CarbonylContact O-C 3.5Å; F90-A121 VanDerWaalsContact O-CA 3.31Å; F90-A121 WeakPolarHBondContact O-CA 3.22Å; F90-V122 PolarHBondContact O-N 3.44Å; F90-P141 HydrophobicContact CD2-CB 4.13Å; F90-P141 HydrophobicContact CE2-CB 3.29Å; F90-P141 HydrophobicContact CE2-CG 3.9Å; F90-P141 HydrophobicContact CZ-CB 3.68Å; F90-P141 HydrophobicContact CZ-CG 4.31Å; F90-I143 HydrophobicContact CD2-CD1 4.24Å; F90-I143 HydrophobicContact CD2-CG1 3.67Å; F90-I143 HydrophobicContact CE2-CG1 4.32Å
91F97.4Very high94Very high9 Ų947.8 Ų47.84%0.03926%0.264CS..EExtended strand (participates in β ladder)trans-87.2121.1174.5-57.1-74.2000109.7L74 I89 V122 C124 F137 P141 I142 H144L74-F91 HydrophobicContact CD2-CE1 4.23Å; I89-F91 HydrophobicContact CB-CE2 4.19Å; I89-F91 HydrophobicContact CB-CZ 4.22Å; I89-F91 HydrophobicContact CG2-CD1 4.12Å; I89-F91 HydrophobicContact CG2-CD2 4.16Å; I89-F91 HydrophobicContact CG2-CE1 3.59Å; I89-F91 HydrophobicContact CG2-CE2 3.59Å; I89-F91 HydrophobicContact CG2-CG 4.42Å; I89-F91 HydrophobicContact CG2-CZ 3.3Å; F91-V122 WeakPolarHBondContact CA-O 3.28Å; F91-V122 HydrophobicContact CD1-CB 3.93Å; F91-V122 HydrophobicContact CD1-CG1 4.49Å; F91-V122 HydrophobicContact CD1-CG2 4.32Å; F91-V122 HydrophobicContact CE1-CB 4.27Å; F91-V122 HydrophobicContact CE1-CG2 4.25Å; F91-C124 WeakPolarHBondContact CD1-SG 3.31Å; F91-F137 HydrophobicContact CB-CD2 4.31Å; F91-F137 HydrophobicContact CB-CE2 3.84Å; F91-F137 HydrophobicContact CB-CZ 4.46Å; F91-F137 AromaticContact CD1-CE2 3.83Å; F91-F137 HydrophobicContact CD1-CE2 3.83Å; F91-F137 HydrophobicContact CD1-CZ 4.31Å; F91-F137 HydrophobicContact CD2-CE2 4.06Å; F91-F137 AromaticContact CD2-CZ 3.89Å; F91-F137 HydrophobicContact CD2-CZ 3.89Å; F91-F137 HydrophobicContact CE1-CE2 4.35Å; F91-F137 HydrophobicContact CE2-CZ 4.15Å; F91-F137 AromaticContact CG-CE2 3.63Å; F91-F137 HydrophobicContact CG-CE2 3.63Å; F91-F137 AromaticContact CG-CZ 3.96Å; F91-F137 HydrophobicContact CG-CZ 3.96Å; F91-F137 HydrophobicContact CZ-CZ 4.43Å; F91-P141 WeakPolarHBondContact O-CA 3.47Å; F91-I142 HydrophobicContact CB-CB 4.29Å; F91-I142 HydrophobicContact CD2-CB 4.42Å; F91-I142 HydrophobicContact CD2-CG2 4.25Å; F91-I142 PolarHBondContact N-O 2.92Å; F91-I142 PolarHBondContact O-N 3.44Å; F91-H144 HydrophobicContact CE2-CB 4.11Å; F91-H144 AromaticContact CE2-CG 3.85Å; F91-H144 AromaticContact CE2-ND1 3.51Å
92Y96.5Very high94.2Very high1 Ų146.2 Ų46.20%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-132.8163.3-172.472.2-91.4000113.3F59 D68 F90 A121 V122 N123 C124F59-Y92 HydrophobicContact CB-CD2 4.25Å; F59-Y92 HydrophobicContact CB-CE1 4.15Å; F59-Y92 HydrophobicContact CB-CE2 3.42Å; F59-Y92 VanDerWaalsContact CB-CE2 3.42Å; F59-Y92 VanDerWaalsContact CB-OH 3.25Å; F59-Y92 WeakPolarHBondContact CB-OH 3.4Å; F59-Y92 HydrophobicContact CD1-CD1 4.3Å; F59-Y92 AromaticContact CD1-CD2 3.89Å; F59-Y92 HydrophobicContact CD1-CD2 3.89Å; F59-Y92 HydrophobicContact CD1-CE1 4.29Å; F59-Y92 AromaticContact CD1-CE2 3.92Å; F59-Y92 HydrophobicContact CD1-CE2 3.92Å; F59-Y92 HydrophobicContact CD1-CG 4.11Å; F59-Y92 AromaticContact CD2-CD2 3.93Å; F59-Y92 HydrophobicContact CD2-CD2 3.93Å; F59-Y92 AromaticContact CD2-CE2 3.74Å; F59-Y92 HydrophobicContact CD2-CE2 3.74Å; F59-Y92 HydrophobicContact CE1-CD2 4.18Å; F59-Y92 HydrophobicContact CE1-CG 4.29Å; F59-Y92 HydrophobicContact CE2-CD2 4.21Å; F59-Y92 HydrophobicContact CE2-CE2 4.47Å; F59-Y92 AromaticContact CG-CD2 3.76Å; F59-Y92 HydrophobicContact CG-CD2 3.76Å; F59-Y92 HydrophobicContact CG-CE1 4.4Å; F59-Y92 AromaticContact CG-CE2 3.43Å; F59-Y92 HydrophobicContact CG-CE2 3.43Å; F59-Y92 VanDerWaalsContact CG-CE2 3.43Å; F59-Y92 HydrophobicContact CG-CG 4.42Å; F59-Y92 AromaticContact CG-CZ 3.77Å; F59-Y92 HydrophobicContact CZ-CD2 4.32Å; D68-Y92 PolarHBondContact OD1-OH 2.89Å; F90-Y92 AromaticContact CD1-CD1 3.79Å; F90-Y92 HydrophobicContact CD1-CD1 3.79Å; F90-Y92 HydrophobicContact CD1-CG 4.21Å; F90-Y92 VanDerWaalsContact CE1-CB 3.44Å; F90-Y92 AromaticContact CE1-CD1 3.97Å; F90-Y92 HydrophobicContact CE1-CD1 3.97Å; F90-Y92 AromaticContact CE1-CG 3.93Å; F90-Y92 HydrophobicContact CE1-CG 3.93Å; Y92-A121 HydrophobicContact CD1-CB 4.05Å; Y92-A121 HydrophobicContact CE1-CB 3.75Å; Y92-V122 WeakPolarHBondContact CD1-O 3.42Å; Y92-V122 VanDerWaalsContact CE1-C 3.45Å; Y92-V122 PolarHBondContact N-O 2.94Å; Y92-N123 HydrophobicContact CE1-CB 4.34Å; Y92-N123 HydrophobicContact CE2-CB 3.92Å; Y92-C124 PolarHBondContact O-N 3.19Å
93A94.8Very high94.5Very high0 Ų045.7 Ų45.70%024%0.24CC..  trans-122.9128.6165.100000108.8W95 C96 S99 W125 Y140A93-W95 HydrophobicContact CB-CZ2 4.28Å; A93-W95 PolarHBondContact O-N 2.98Å; A93-C96 HydrophobicContact CB-CB 4.06Å; A93-C96 WeakPolarHBondContact O-CB 3.45Å; A93-C96 PolarHBondContact O-N 3.2Å; A93-C96 VanDerWaalsContact O-N 3.1Å; A93-S99 WeakPolarHBondContact O-CB 3.45Å; A93-W125 HydrophobicContact CB-CB 3.79Å; A93-W125 HydrophobicContact CB-CG 4.29Å; A93-Y140 HydrophobicContact CB-CD1 4.28Å; A93-Y140 HydrophobicContact CB-CD2 3.56Å; A93-Y140 HydrophobicContact CB-CE2 4.08Å; A93-Y140 HydrophobicContact CB-CG 3.68Å
94P92.7Very high94.8Very high54 Ų5442.8 Ų42.835%0.35123%0.225SC..THydrogen-bonded Turntrans-67.8-20.3-169.225.1-34.3000114.3F59F59-P94 HydrophobicContact CD2-CB 4.32Å
95W89.9Confident95Very high142 Ų14243.9 Ų43.954%0.53823%0.226SC..THydrogen-bonded Turntrans-92.1-9.7177.856.3-95000113.4A93 A97 W125A93-W95 HydrophobicContact CB-CZ2 4.28Å; A93-W95 PolarHBondContact O-N 2.98Å; W95-A97 PolarHBondContact O-N 2.81Å; W95-W125 AromaticContact CD1-CD1 3.58Å; W95-W125 AromaticContact CD1-CG 4Å; W95-W125 AromaticContact CD1-NE1 3.65Å; W95-W125 AromaticContact CE2-CD2 3.85Å; W95-W125 AromaticContact CE2-CE2 3.74Å; W95-W125 AromaticContact CZ2-CD2 3.88Å; W95-W125 HydrophobicContact CZ2-CD2 3.88Å; W95-W125 AromaticContact CZ2-CE2 3.89Å; W95-W125 AromaticContact CZ2-CE3 3.78Å; W95-W125 HydrophobicContact CZ2-CE3 3.78Å; W95-W125 AromaticContact CZ2-CH2 3.71Å; W95-W125 HydrophobicContact CZ2-CH2 3.71Å; W95-W125 AromaticContact CZ2-CZ2 3.81Å; W95-W125 HydrophobicContact CZ2-CZ2 3.81Å; W95-W125 AromaticContact CZ2-CZ3 3.7Å; W95-W125 HydrophobicContact CZ2-CZ3 3.7Å; W95-W125 AromaticContact NE1-CD1 3.12Å; W95-W125 AromaticContact NE1-CD2 3.2Å; W95-W125 AromaticContact NE1-CE2 3.12Å; W95-W125 AromaticContact NE1-CE3 3.99Å; W95-W125 AromaticContact NE1-CG 3.19Å; W95-W125 AromaticContact NE1-CZ2 3.82Å; W95-W125 AromaticContact NE1-NE1 3.05Å
96C93.9Very high95.2Very high12 Ų1238.6 Ų38.68%0.08120%0.201CC..  trans-77.9123.1-174.6175.20000110.5A93 H98 S99 M100 Y140A93-C96 HydrophobicContact CB-CB 4.06Å; A93-C96 WeakPolarHBondContact O-CB 3.45Å; A93-C96 PolarHBondContact O-N 3.2Å; A93-C96 VanDerWaalsContact O-N 3.1Å; C96-H98 VanDerWaalsContact C-N 3.33Å; C96-H98 PolarHBondContact O-N 2.8Å; C96-S99 WeakPolarHBondContact O-CB 3.32Å; C96-S99 PolarHBondContact O-N 2.97Å; C96-M100 WeakPolarHBondContact O-CG 3.43Å; C96-M100 PolarHBondContact O-N 3.2Å; C96-Y140 PolarHBondContact SG-O 2.92Å
97A92.6Very high95.3Very high69 Ų6938.8 Ų38.857%0.5720%0.202SC*.Hα-helixtrans-53.6-46.4179.100000112.7W95 S99 M100 A101W95-A97 PolarHBondContact O-N 2.81Å; A97-S99 VanDerWaalsContact C-N 3.32Å; A97-S99 PolarHBondContact O-N 3.3Å; A97-M100 HydrophobicContact CB-CE 4.49Å; A97-M100 PolarHBondContact O-N 3.02Å; A97-A101 WeakPolarHBondContact O-CB 3.39Å; A97-A101 PolarHBondContact O-N 3.27Å
98H92.4Very high95.2Very high124 Ų12443 Ų4357%0.57422%0.222SC*.Hα-helixtrans-63.5-36.3177.2-59.2114.8000112.7C96 A102 P141C96-H98 VanDerWaalsContact C-N 3.33Å; C96-H98 PolarHBondContact O-N 2.8Å; H98-A102 WeakPolarHBondContact O-CB 3.32Å; H98-A102 PolarHBondContact O-N 3.45Å; H98-P141 VanDerWaalsContact CB-CD 3.48Å
99S96.1Very high95.2Very high0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-68-43.1176.3-640000110.9F59 A93 C96 A97 A102 R103F59-S99 WeakPolarHBondContact CZ-O 3.27Å; A93-S99 WeakPolarHBondContact O-CB 3.45Å; C96-S99 WeakPolarHBondContact O-CB 3.32Å; C96-S99 PolarHBondContact O-N 2.97Å; A97-S99 VanDerWaalsContact C-N 3.32Å; A97-S99 PolarHBondContact O-N 3.3Å; S99-A102 PolarHBondContact O-N 3.26Å; S99-R103 PolarHBondContact O-N 3.11Å
100M94.6Very high95.2Very high91 Ų9142.8 Ų42.845%0.44822%0.221SC..Hα-helixtrans-62.9-41.7177.6-68.7-173-67.900111.9F59 C96 A97 R103F59-M100 HydrophobicContact CE2-CG 4.25Å; F59-M100 HydrophobicContact CZ-CG 4.48Å; C96-M100 WeakPolarHBondContact O-CG 3.43Å; C96-M100 PolarHBondContact O-N 3.2Å; A97-M100 HydrophobicContact CB-CE 4.49Å; A97-M100 PolarHBondContact O-N 3.02Å; M100-R103 VanDerWaalsContact O-CB 3.28Å; M100-R103 WeakPolarHBondContact O-CB 3.44Å; M100-R103 PolarHBondContact O-N 3.13Å
101A93.8Very high95.1Very high66 Ų6649 Ų4955%0.54525%0.248SC..Hα-helixtrans-64.4-50.1174.500000111.5A97 R103A97-A101 WeakPolarHBondContact O-CB 3.39Å; A97-A101 PolarHBondContact O-N 3.27Å; A101-R103 PolarHBondContact O-N 3.1Å; A101-R103 VanDerWaalsContact O-N 3.12Å
102A96.1Very high95Very high0 Ų054.7 Ų54.70%027%0.273CS..Hα-helixtrans-62.7-21.2179.900000113.6F90 H98 S99 Q104 E105 V106 P141 F159F90-A102 HydrophobicContact CE2-CB 4Å; F90-A102 HydrophobicContact CZ-CB 4.04Å; H98-A102 WeakPolarHBondContact O-CB 3.32Å; H98-A102 PolarHBondContact O-N 3.45Å; S99-A102 PolarHBondContact O-N 3.26Å; A102-Q104 PolarHBondContact O-N 3.34Å; A102-E105 PolarHBondContact O-N 3.04Å; A102-V106 WeakPolarHBondContact O-CB 3.4Å; A102-V106 VanDerWaalsContact O-CG2 3.29Å; A102-V106 WeakPolarHBondContact O-CG2 3.4Å; A102-V106 PolarHBondContact O-N 3.5Å; A102-P141 HydrophobicContact CB-CG 4.08Å; A102-F159 HydrophobicContact CB-CB 3.79Å; A102-F159 HydrophobicContact CB-CD1 4.43Å; A102-F159 HydrophobicContact CB-CG 4.18Å
103R95.6Very high95Very high85 Ų8555 Ų5532%0.32128%0.275SS..Hα-helixtrans-54.9-49.6-178.9-173.7-18060.9133.52.8112.7F59 F60 S99 M100 A101 S107F59-R103 HydrophobicContact CD1-CB 4.39Å; F59-R103 HydrophobicContact CD1-CG 3.87Å; F59-R103 HydrophobicContact CE1-CB 3.52Å; F59-R103 HydrophobicContact CE1-CG 3.5Å; F59-R103 HydrophobicContact CZ-CB 3.84Å; F59-R103 HydrophobicContact CZ-CG 4.09Å; F59-R103 WeakPolarHBondContact O-CD 3.39Å; F59-R103 PolarHBondContact O-NH1 3.17Å; F60-R103 HydrophobicContact CD1-CG 4.01Å; F60-R103 HydrophobicContact CE1-CG 3.77Å; F60-R103 WeakPolarHBondContact CE1-O 3.44Å; F60-R103 HydrophobicContact CZ-CG 4.1Å; S99-R103 PolarHBondContact O-N 3.11Å; M100-R103 VanDerWaalsContact O-CB 3.28Å; M100-R103 WeakPolarHBondContact O-CB 3.44Å; M100-R103 PolarHBondContact O-N 3.13Å; A101-R103 PolarHBondContact O-N 3.1Å; A101-R103 VanDerWaalsContact O-N 3.12Å; R103-S107 WeakPolarHBondContact O-CB 3.42Å; R103-S107 PolarHBondContact O-N 3.46Å
104Q94.4Very high94.9Very high98 Ų9857.3 Ų57.346%0.45829%0.293SS..Hα-helixtrans-68.7-42.7-177.6-67.2-62.7-7.100110.5A102 V106 S107 Q108A102-Q104 PolarHBondContact O-N 3.34Å; Q104-V106 PolarHBondContact O-N 3.14Å; Q104-S107 WeakPolarHBondContact O-CB 3.42Å; Q104-S107 PolarHBondContact O-N 3.22Å; Q104-Q108 WeakPolarHBondContact O-CG 3.43Å; Q104-Q108 PolarHBondContact O-N 2.87Å
105E96.4Very high95Very high47 Ų4766.8 Ų66.822%0.2232%0.322CS..Hα-helixtrans-59.1-48.8177.6-56-58.8132.600111.7A102 S107 Q108 V109 F159 A161 I164A102-E105 PolarHBondContact O-N 3.04Å; E105-S107 VanDerWaalsContact C-N 3.33Å; E105-S107 PolarHBondContact O-N 3.13Å; E105-Q108 PolarHBondContact O-N 3.29Å; E105-V109 WeakPolarHBondContact O-CG2 3.17Å; E105-V109 PolarHBondContact O-N 3.5Å; E105-V109 VanDerWaalsContact O-N 3.08Å; E105-F159 WeakPolarHBondContact CG-O 3.3Å; E105-A161 HydrophobicContact CB-CB 4.31Å; E105-A161 WeakPolarHBondContact OE2-CB 3.45Å; E105-A161 PolarHBondContact OE2-N 3.22Å; E105-I164 HydrophobicContact CB-CD1 4.41Å
106V97.3Very high95.2Very high1 Ų165.5 Ų65.51%0.00632%0.322CS..Hα-helixtrans-62.9-39.8175.9171.80000111.1F60 F88 F90 A102 Q104 Q108 V109 A110 I143 I164F60-V106 HydrophobicContact CE1-CB 4.32Å; F60-V106 HydrophobicContact CE1-CG1 4.16Å; F60-V106 HydrophobicContact CZ-CB 4.3Å; F60-V106 HydrophobicContact CZ-CG1 4.03Å; F88-V106 HydrophobicContact CE1-CG1 3.92Å; F88-V106 HydrophobicContact CE1-CG2 4.31Å; F88-V106 HydrophobicContact CZ-CG1 4.49Å; F88-V106 HydrophobicContact CZ-CG2 4.27Å; F90-V106 HydrophobicContact CD2-CG2 4.1Å; F90-V106 HydrophobicContact CE2-CG2 4.16Å; A102-V106 WeakPolarHBondContact O-CB 3.4Å; A102-V106 VanDerWaalsContact O-CG2 3.29Å; A102-V106 WeakPolarHBondContact O-CG2 3.4Å; A102-V106 PolarHBondContact O-N 3.5Å; Q104-V106 PolarHBondContact O-N 3.14Å; V106-Q108 VanDerWaalsContact C-N 3.31Å; V106-Q108 PolarHBondContact O-N 3.46Å; V106-V109 PolarHBondContact O-N 3.31Å; V106-A110 VanDerWaalsContact O-CB 3.25Å; V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 2.88Å; V106-I143 HydrophobicContact CG2-CD1 4.48Å; V106-I164 HydrophobicContact CG2-CD1 4.15Å
107S96.3Very high95.3Very high8 Ų865.2 Ų65.26%0.05632%0.32CS..Hα-helixtrans-63.1-37.4176.6-175.80000112.3A64 R103 Q104 E105 K111A64-S107 WeakPolarHBondContact CB-OG 3.31Å; R103-S107 WeakPolarHBondContact O-CB 3.42Å; R103-S107 PolarHBondContact O-N 3.46Å; Q104-S107 WeakPolarHBondContact O-CB 3.42Å; Q104-S107 PolarHBondContact O-N 3.22Å; E105-S107 VanDerWaalsContact C-N 3.33Å; E105-S107 PolarHBondContact O-N 3.13Å; S107-K111 WeakPolarHBondContact O-CG 3.23Å; S107-K111 PolarHBondContact O-N 3.45Å
108Q96Very high95.5Very high92 Ų9265 Ų6543%0.4331%0.307SS..Hα-helixtrans-66.3-46.9176.7-70.5175.316.300111.3Q104 E105 V106 A110 K111 K112 A161Q104-Q108 WeakPolarHBondContact O-CG 3.43Å; Q104-Q108 PolarHBondContact O-N 2.87Å; E105-Q108 PolarHBondContact O-N 3.29Å; V106-Q108 VanDerWaalsContact C-N 3.31Å; V106-Q108 PolarHBondContact O-N 3.46Å; Q108-A110 VanDerWaalsContact C-N 3.32Å; Q108-A110 PolarHBondContact O-N 3.49Å; Q108-K111 PolarHBondContact O-N 3.4Å; Q108-K112 PolarHBondContact O-N 3.03Å; Q108-A161 HydrophobicContact CB-CB 4.42Å
109V97.1Very high95.7Very high0 Ų059.1 Ų59.10%028%0.28CS..Hα-helixtrans-63.1-41.2177.2-179.40000110.9E105 V106 K111 K112 L113 F119 A161 I164 E165E105-V109 WeakPolarHBondContact O-CG2 3.17Å; E105-V109 PolarHBondContact O-N 3.5Å; E105-V109 VanDerWaalsContact O-N 3.08Å; V106-V109 PolarHBondContact O-N 3.31Å; V109-K111 VanDerWaalsContact C-N 3.33Å; V109-K111 PolarHBondContact O-N 3.44Å; V109-K112 PolarHBondContact O-N 2.99Å; V109-K112 VanDerWaalsContact O-N 3.14Å; V109-L113 HydrophobicContact CG1-CD1 3.89Å; V109-L113 HydrophobicContact CG1-CG 4.43Å; V109-L113 PolarHBondContact O-N 2.88Å; V109-F119 HydrophobicContact CG1-CE1 4.25Å; V109-F119 HydrophobicContact CG1-CZ 4.05Å; V109-A161 HydrophobicContact CG2-CB 3.8Å; V109-A161 WeakPolarHBondContact CG2-O 3.16Å; V109-I164 HydrophobicContact CB-CG2 4.49Å; V109-I164 HydrophobicContact CG1-CG2 4.3Å; V109-I164 HydrophobicContact CG2-CB 4.2Å; V109-I164 HydrophobicContact CG2-CG2 4.18Å; V109-E165 HydrophobicContact CG1-CB 4.11Å; V109-E165 HydrophobicContact CG2-CB 4.05Å
110A97.1Very high95.8Very high0 Ų059.2 Ų59.20%028%0.281CS..Hα-helixtrans-59.3-43.9176.500000111.6P65 V66 V106 Q108 K112 L113 A114 F119P65-A110 HydrophobicContact CG-CB 4.02Å; P65-A110 WeakPolarHBondContact CG-O 3.36Å; V66-A110 HydrophobicContact CG2-CB 3.47Å; V66-A110 VanDerWaalsContact CG2-CB 3.47Å; V106-A110 VanDerWaalsContact O-CB 3.25Å; V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 2.88Å; Q108-A110 VanDerWaalsContact C-N 3.32Å; Q108-A110 PolarHBondContact O-N 3.49Å; A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 3.26Å; A110-L113 PolarHBondContact O-N 2.87Å; A110-A114 WeakPolarHBondContact O-CA 3.44Å; A110-A114 WeakPolarHBondContact O-CB 3.49Å; A110-A114 PolarHBondContact O-N 3.3Å; A110-F119 HydrophobicContact CB-CB 4.18Å; A110-F119 HydrophobicContact CB-CD1 3.89Å; A110-F119 HydrophobicContact CB-CD2 3.8Å; A110-F119 HydrophobicContact CB-CE1 4.25Å; A110-F119 HydrophobicContact CB-CE2 4.15Å; A110-F119 HydrophobicContact CB-CG 3.67Å; A110-F119 HydrophobicContact CB-CZ 4.38Å
111K96Very high95.9Very high131 Ų13154.9 Ų54.957%0.5726%0.259SS*.Hα-helixtrans-58.4-38.3175.5-75.1175.2180-176.30112.8P65 S107 Q108 V109P65-K111 HydrophobicContact CG-CG 4.11Å; S107-K111 WeakPolarHBondContact O-CG 3.23Å; S107-K111 PolarHBondContact O-N 3.45Å; Q108-K111 PolarHBondContact O-N 3.4Å; V109-K111 VanDerWaalsContact C-N 3.33Å; V109-K111 PolarHBondContact O-N 3.44Å
112K95.4Very high96.1Very high127 Ų12751.8 Ų51.855%0.55223%0.233SC*.Hα-helixtrans-74.9-39.4178.6-65.5-178.3-174.4-179.80113.2Q108 V109 A110 E165Q108-K112 PolarHBondContact O-N 3.03Å; V109-K112 PolarHBondContact O-N 2.99Å; V109-K112 VanDerWaalsContact O-N 3.14Å; A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 3.26Å; K112-E165 WeakPolarHBondContact CD-OE2 3.17Å; K112-E165 IonicContact NZ-OE1 3.44Å; K112-E165 IonicContact NZ-OE2 2.83Å; K112-E165 PolarHBondContact NZ-OE2 3.42Å
113L96.3Very high96.1Very high9 Ų952 Ų525%0.04723%0.234CC..Hα-helixtrans-108.26.6-169.5-61.2-178.7000114.7V109 A110 R115 Q116 V117 F119 E165 T168 L169 I172V109-L113 HydrophobicContact CG1-CD1 3.89Å; V109-L113 HydrophobicContact CG1-CG 4.43Å; V109-L113 PolarHBondContact O-N 2.88Å; A110-L113 PolarHBondContact O-N 2.87Å; L113-R115 PolarHBondContact O-N 2.96Å; L113-Q116 PolarHBondContact O-N 3.29Å; L113-V117 HydrophobicContact CB-CG2 4.43Å; L113-V117 PolarHBondContact O-N 3.18Å; L113-F119 HydrophobicContact CB-CE2 3.92Å; L113-F119 HydrophobicContact CB-CZ 4.03Å; L113-E165 HydrophobicContact CD1-CG 4.33Å; L113-T168 HydrophobicContact CD1-CG2 3.72Å; L113-L169 HydrophobicContact CD2-CD2 3.99Å; L113-I172 HydrophobicContact CD1-CD1 4.39Å
114A93.6Very high96Very high48 Ų4847.9 Ų47.940%0.39722%0.219SC..THydrogen-bonded Turntrans-53.5-28.4-177.100000114.8P65 A110P65-A114 HydrophobicContact CB-CB 3.83Å; P65-A114 HydrophobicContact CG-CB 3.95Å; A110-A114 WeakPolarHBondContact O-CA 3.44Å; A110-A114 WeakPolarHBondContact O-CB 3.49Å; A110-A114 PolarHBondContact O-N 3.3Å
115R93.4Very high95.9Very high253 Ų25348.2 Ų48.296%0.95522%0.216SC*.THydrogen-bonded Turntrans-76.1-23.8178.6-69-175.6175.4175.5-1.2113.7L113L113-R115 PolarHBondContact O-N 2.96Å
116Q94.1Very high95.6Very high115 Ų11547.5 Ų47.554%0.53721%0.212SC..THydrogen-bonded Turntrans-110.4-25.7-173.5-63.7177.646.900112.4L113 I172L113-Q116 PolarHBondContact O-N 3.29Å; Q116-I172 HydrophobicContact CB-CD1 4.48Å
117V96.6Very high95.2Very high5 Ų550.4 Ų50.43%0.0323%0.232CC..  trans-130.9132.5-172.7-179.40000110.4V86 F88 L113 F119 T168 I172V86-V117 HydrophobicContact CB-CG2 4.14Å; V86-V117 HydrophobicContact CG1-CG1 4.14Å; V86-V117 HydrophobicContact CG1-CG2 4.02Å; F88-V117 HydrophobicContact CB-CG1 3.68Å; L113-V117 HydrophobicContact CB-CG2 4.43Å; L113-V117 PolarHBondContact O-N 3.18Å; V117-F119 HydrophobicContact CB-CD2 4.24Å; V117-F119 HydrophobicContact CB-CE2 3.61Å; V117-F119 HydrophobicContact CB-CZ 4.08Å; V117-F119 HydrophobicContact CG1-CD2 4.11Å; V117-F119 HydrophobicContact CG1-CE1 4.48Å; V117-F119 HydrophobicContact CG1-CE2 3.72Å; V117-F119 HydrophobicContact CG1-CZ 3.91Å; V117-F119 VanDerWaalsContact O-CD2 3.3Å; V117-F119 WeakPolarHBondContact O-CD2 3.49Å; V117-F119 PolarHBondContact O-N 2.97Å; V117-T168 HydrophobicContact CG1-CG2 4.39Å; V117-T168 HydrophobicContact CG2-CG2 3.82Å; V117-I172 HydrophobicContact CG2-CD1 3.56Å; V117-I172 HydrophobicContact CG2-CG1 3.82Å
118Q96.6Very high94.8Very high64 Ų6456.1 Ų56.130%0.29926%0.258SS..EExtended strand (participates in β ladder)trans-83.1110.5171.7-177.961.563.100110A84 V86 S87 F88 V120A84-Q118 HydrophobicContact CB-CB 3.51Å; A84-Q118 HydrophobicContact CB-CG 4.38Å; V86-Q118 PolarHBondContact O-N 3.02Å; S87-Q118 WeakPolarHBondContact CA-O 3.31Å; F88-Q118 PolarHBondContact N-O 3.27Å; Q118-V120 HydrophobicContact CG-CG2 4.06Å
119F97.4Very high94.5Very high1 Ų151.9 Ų51.90%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-89.8127.7175.8-68.4-96.2000111V66 V67 F88 V109 A110 L113 V117V66-F119 HydrophobicContact CB-CB 4.4Å; V66-F119 HydrophobicContact CG1-CB 4.32Å; V66-F119 HydrophobicContact CG2-CB 4.03Å; V67-F119 PolarHBondContact N-O 3.44Å; F88-F119 HydrophobicContact CB-CD1 3.68Å; F88-F119 HydrophobicContact CB-CE1 3.82Å; F88-F119 HydrophobicContact CB-CG 4.24Å; F88-F119 HydrophobicContact CB-CZ 4.48Å; F88-F119 AromaticContact CD1-CD1 3.45Å; F88-F119 HydrophobicContact CD1-CD1 3.45Å; F88-F119 VanDerWaalsContact CD1-CD1 3.45Å; F88-F119 AromaticContact CD1-CE1 3.82Å; F88-F119 HydrophobicContact CD1-CE1 3.82Å; F88-F119 HydrophobicContact CD1-CG 4.5Å; F88-F119 HydrophobicContact CD2-CD1 4.26Å; F88-F119 AromaticContact CD2-CE1 3.8Å; F88-F119 HydrophobicContact CD2-CE1 3.8Å; F88-F119 HydrophobicContact CE1-CD1 4.08Å; F88-F119 HydrophobicContact CE1-CE1 4.27Å; F88-F119 HydrophobicContact CE2-CE1 4.26Å; F88-F119 AromaticContact CG-CD1 3.55Å; F88-F119 HydrophobicContact CG-CD1 3.55Å; F88-F119 AromaticContact CG-CE1 3.55Å; F88-F119 HydrophobicContact CG-CE1 3.55Å; F88-F119 HydrophobicContact CZ-CE1 4.47Å; V109-F119 HydrophobicContact CG1-CE1 4.25Å; V109-F119 HydrophobicContact CG1-CZ 4.05Å; A110-F119 HydrophobicContact CB-CB 4.18Å; A110-F119 HydrophobicContact CB-CD1 3.89Å; A110-F119 HydrophobicContact CB-CD2 3.8Å; A110-F119 HydrophobicContact CB-CE1 4.25Å; A110-F119 HydrophobicContact CB-CE2 4.15Å; A110-F119 HydrophobicContact CB-CG 3.67Å; A110-F119 HydrophobicContact CB-CZ 4.38Å; L113-F119 HydrophobicContact CB-CE2 3.92Å; L113-F119 HydrophobicContact CB-CZ 4.03Å; V117-F119 HydrophobicContact CB-CD2 4.24Å; V117-F119 HydrophobicContact CB-CE2 3.61Å; V117-F119 HydrophobicContact CB-CZ 4.08Å; V117-F119 HydrophobicContact CG1-CD2 4.11Å; V117-F119 HydrophobicContact CG1-CE1 4.48Å; V117-F119 HydrophobicContact CG1-CE2 3.72Å; V117-F119 HydrophobicContact CG1-CZ 3.91Å; V117-F119 VanDerWaalsContact O-CD2 3.3Å; V117-F119 WeakPolarHBondContact O-CD2 3.49Å; V117-F119 PolarHBondContact O-N 2.97Å
120V97.3Very high94.3Very high3 Ų356.2 Ų56.22%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-132.9130.5178.9-173.60000108.6V67 L69 V77 L80 F88 I89 F90 Q118 V122V67-V120 HydrophobicContact CB-CG2 4.49Å; V67-V120 CarbonylContact O-C 3.44Å; V67-V120 WeakPolarHBondContact O-CA 3.25Å; L69-V120 HydrophobicContact CD1-CG1 3.73Å; L69-V120 HydrophobicContact CG-CG1 4.11Å; V77-V120 HydrophobicContact CG2-CG1 4.28Å; L80-V120 HydrophobicContact CB-CG2 4.24Å; L80-V120 HydrophobicContact CD1-CG1 4.26Å; L80-V120 HydrophobicContact CD1-CG2 3.81Å; F88-V120 PolarHBondContact O-N 2.97Å; I89-V120 CarbonylContact C-O 3.56Å; I89-V120 VanDerWaalsContact CA-O 3.31Å; I89-V120 WeakPolarHBondContact CA-O 3.47Å; I89-V120 HydrophobicContact CG1-CB 4.42Å; F90-V120 PolarHBondContact N-O 3.36Å; Q118-V120 HydrophobicContact CG-CG2 4.06Å; V120-V122 HydrophobicContact CG1-CG2 4.19Å
121A97.6Very high94.1Very high0 Ų056.2 Ų56.20%026%0.257CS..EExtended strand (participates in β ladder)trans-111.1140.9173.400000110F60 V66 V67 L69 F90 Y92F60-A121 HydrophobicContact CD2-CB 3.68Å; F60-A121 HydrophobicContact CE2-CB 3.33Å; F60-A121 HydrophobicContact CZ-CB 4.35Å; V66-A121 HydrophobicContact CG1-CB 3.78Å; V67-A121 PolarHBondContact O-N 2.89Å; L69-A121 WeakPolarHBondContact CA-O 3.33Å; L69-A121 WeakPolarHBondContact CB-O 3.49Å; L69-A121 PolarHBondContact N-O 3.22Å; F90-A121 HydrophobicContact CB-CB 4.37Å; F90-A121 HydrophobicContact CD1-CB 4.1Å; F90-A121 CarbonylContact O-C 3.5Å; F90-A121 VanDerWaalsContact O-CA 3.31Å; F90-A121 WeakPolarHBondContact O-CA 3.22Å; Y92-A121 HydrophobicContact CD1-CB 4.05Å; Y92-A121 HydrophobicContact CE1-CB 3.75Å
122V97.2Very high93.8Very high0 Ų054.9 Ų54.90%025%0.248CC..EExtended strand (participates in β ladder)trans-135.3122.1-176.4-1700000109.9L69 L74 V77 I89 F90 F91 Y92 V120 C124 C131L69-V122 HydrophobicContact CB-CG2 4.45Å; L69-V122 HydrophobicContact CD1-CG2 4.4Å; L74-V122 HydrophobicContact CD2-CG1 4.37Å; V77-V122 HydrophobicContact CG2-CG2 3.53Å; I89-V122 HydrophobicContact CG2-CG2 4.08Å; F90-V122 PolarHBondContact O-N 3.44Å; F91-V122 WeakPolarHBondContact CA-O 3.28Å; F91-V122 HydrophobicContact CD1-CB 3.93Å; F91-V122 HydrophobicContact CD1-CG1 4.49Å; F91-V122 HydrophobicContact CD1-CG2 4.32Å; F91-V122 HydrophobicContact CE1-CB 4.27Å; F91-V122 HydrophobicContact CE1-CG2 4.25Å; Y92-V122 WeakPolarHBondContact CD1-O 3.42Å; Y92-V122 VanDerWaalsContact CE1-C 3.45Å; Y92-V122 PolarHBondContact N-O 2.94Å; V120-V122 HydrophobicContact CG1-CG2 4.19Å; V122-C124 PolarHBondContact O-N 3.46Å; V122-C131 HydrophobicContact CG1-CB 3.97Å
123N95.4Very high93.6Very high4 Ų457.1 Ų57.12%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-75.2109171.8-179.20.1000109.9P56 L69 Y70 G72 Y92 W125 W126P56-N123 WeakPolarHBondContact CB-ND2 3.24Å; L69-N123 PolarHBondContact O-N 3.3Å; Y70-N123 VanDerWaalsContact O-CB 3.23Å; Y70-N123 WeakPolarHBondContact O-CB 3.49Å; Y70-N123 PolarHBondContact O-ND2 3.03Å; G72-N123 WeakPolarHBondContact CA-O 3.17Å; Y92-N123 HydrophobicContact CE1-CB 4.34Å; Y92-N123 HydrophobicContact CE2-CB 3.92Å; N123-W125 PolarHBondContact OD1-N 3.02Å; N123-W126 PolarHBondContact OD1-N 2.69Å
124C94.4Very high93.5Very high0 Ų062.5 Ų62.50%028%0.278CS..  trans-102.86.3179.2-62.90000113.2F91 Y92 V122 C131 R132 F137 Y140F91-C124 WeakPolarHBondContact CD1-SG 3.31Å; Y92-C124 PolarHBondContact O-N 3.19Å; V122-C124 PolarHBondContact O-N 3.46Å; C124-C131 HydrophobicContact CB-CB 3.9Å; C124-C131 WeakPolarHBondContact CB-SG 3.2Å; C124-C131 WeakPolarHBondContact SG-CB 3.29Å; C124-C131 CovalentContact SG-SG 2.02Å; C124-C131 PolarHBondContact SG-SG 3.22Å; C124-R132 VanDerWaalsContact O-CB 3.25Å; C124-R132 WeakPolarHBondContact O-CB 3.41Å; C124-F137 HydrophobicContact CB-CD2 4.13Å; C124-F137 HydrophobicContact CB-CE2 4.43Å; C124-Y140 HydrophobicContact CB-CE1 3.81Å; C124-Y140 PolarHBondContact O-OH 3Å; C124-Y140 VanDerWaalsContact O-OH 3.14Å
125W91.6Very high93.2Very high104 Ų10465.2 Ų65.239%0.39428%0.281SS..SBendtrans-90.1-18169.9-169.2-106.1000113.1A93 W95 N123 S127 R132 Y140A93-W125 HydrophobicContact CB-CB 3.79Å; A93-W125 HydrophobicContact CB-CG 4.29Å; W95-W125 AromaticContact CD1-CD1 3.58Å; W95-W125 AromaticContact CD1-CG 4Å; W95-W125 AromaticContact CD1-NE1 3.65Å; W95-W125 AromaticContact CE2-CD2 3.85Å; W95-W125 AromaticContact CE2-CE2 3.74Å; W95-W125 AromaticContact CZ2-CD2 3.88Å; W95-W125 HydrophobicContact CZ2-CD2 3.88Å; W95-W125 AromaticContact CZ2-CE2 3.89Å; W95-W125 AromaticContact CZ2-CE3 3.78Å; W95-W125 HydrophobicContact CZ2-CE3 3.78Å; W95-W125 AromaticContact CZ2-CH2 3.71Å; W95-W125 HydrophobicContact CZ2-CH2 3.71Å; W95-W125 AromaticContact CZ2-CZ2 3.81Å; W95-W125 HydrophobicContact CZ2-CZ2 3.81Å; W95-W125 AromaticContact CZ2-CZ3 3.7Å; W95-W125 HydrophobicContact CZ2-CZ3 3.7Å; W95-W125 AromaticContact NE1-CD1 3.12Å; W95-W125 AromaticContact NE1-CD2 3.2Å; W95-W125 AromaticContact NE1-CE2 3.12Å; W95-W125 AromaticContact NE1-CE3 3.99Å; W95-W125 AromaticContact NE1-CG 3.19Å; W95-W125 AromaticContact NE1-CZ2 3.82Å; W95-W125 AromaticContact NE1-NE1 3.05Å; N123-W125 PolarHBondContact OD1-N 3.02Å; W125-S127 PolarHBondContact O-N 2.96Å; W125-R132 WeakPolarHBondContact O-CD 3.46Å; W125-R132 PolarHBondContact O-NH1 2.89Å; W125-Y140 AromaticContact CE3-CE2 3.96Å; W125-Y140 HydrophobicContact CE3-CE2 3.96Å; W125-Y140 HydrophobicContact CZ3-CE2 4.48Å
126W91.5Very high92.9Very high33 Ų3363.2 Ų63.213%0.12527%0.274CS..  trans-66.5121-179.1-175.1-129.8000112.1A53 P56 N123 Q128 G129 R132A53-W126 HydrophobicContact CB-CZ3 4.18Å; P56-W126 HydrophobicContact CG-CD2 3.76Å; P56-W126 HydrophobicContact CG-CE3 4.1Å; P56-W126 HydrophobicContact CG-CG 3.96Å; P56-W126 HydrophobicContact CG-CZ2 4.49Å; N123-W126 PolarHBondContact OD1-N 2.69Å; W126-Q128 VanDerWaalsContact C-N 3.33Å; W126-Q128 HydrophobicContact CZ2-CB 4.17Å; W126-Q128 HydrophobicContact CZ2-CG 3.9Å; W126-Q128 PolarHBondContact O-N 2.59Å; W126-G129 PolarHBondContact O-N 3.26Å; W126-G129 VanDerWaalsContact O-N 3.13Å; W126-R132 VanDerWaalsContact O-CB 3.25Å; W126-R132 WeakPolarHBondContact O-CB 3.48Å
127S87.4Confident92.7Very high61 Ų6159.8 Ų59.843%0.42726%0.257SS..THydrogen-bonded Turntrans-66-32.4-174.255.60000113.6W125 G129 R133W125-S127 PolarHBondContact O-N 2.96Å; S127-G129 VanDerWaalsContact C-N 3.34Å; S127-R133 PolarHBondContact O-NE 3.02Å
128Q88.3Confident92.3Very high129 Ų12970 Ų7060%0.60330%0.297SS*.THydrogen-bonded Turntrans-85.2-11.8176.8-50.1178.4-5.900112.6W126W126-Q128 VanDerWaalsContact C-N 3.33Å; W126-Q128 HydrophobicContact CZ2-CB 4.17Å; W126-Q128 HydrophobicContact CZ2-CG 3.9Å; W126-Q128 PolarHBondContact O-N 2.59Å
129G89.7Confident92Very high2 Ų272.1 Ų72.12%0.02131%0.306CS..SBendtrans-72.5145.4179.900000112.5L71 W126 S127 C131L71-G129 WeakPolarHBondContact O-CA 3.45Å; W126-G129 PolarHBondContact O-N 3.26Å; W126-G129 VanDerWaalsContact O-N 3.13Å; S127-G129 VanDerWaalsContact C-N 3.34Å; G129-C131 PolarHBondContact O-N 3.06Å
130K93.1Very high91.9Very high92 Ų9273.1 Ų73.140%0.431%0.31SS..Hα-helixtrans-62.4-33.6175.6-72-175.7175.2-177.50111.7G72 L74 D75 R132 R133 Q134G72-K130 PolarHBondContact O-N 2.89Å; G72-K130 VanDerWaalsContact O-N 3.13Å; L74-K130 HydrophobicContact CB-CB 4.47Å; D75-K130 IonicContact OD1-NZ 2.71Å; D75-K130 PolarHBondContact OD1-NZ 3.41Å; D75-K130 VanDerWaalsContact OD1-NZ 3.12Å; D75-K130 VanDerWaalsContact OD2-CD 3.31Å; D75-K130 WeakPolarHBondContact OD2-CD 3.22Å; D75-K130 WeakPolarHBondContact OD2-CE 3.26Å; D75-K130 IonicContact OD2-NZ 2.76Å; D75-K130 PolarHBondContact OD2-NZ 3.49Å; K130-R132 PolarHBondContact O-N 2.67Å; K130-R133 PolarHBondContact O-N 3.38Å; K130-Q134 PolarHBondContact O-N 3.01Å
131C92.8Very high91.8Very high0 Ų073 Ų730%031%0.309CS..Hα-helixtrans-56.7-53179.9-170.70000112.9G72 L74 V122 C124 G129 R133 Q134 K135G72-C131 PolarHBondContact O-N 3.18Å; G72-C131 VanDerWaalsContact O-N 3.08Å; L74-C131 HydrophobicContact CD1-CB 4.19Å; L74-C131 HydrophobicContact CD2-CB 4.06Å; L74-C131 HydrophobicContact CG-CB 3.86Å; V122-C131 HydrophobicContact CG1-CB 3.97Å; C124-C131 HydrophobicContact CB-CB 3.9Å; C124-C131 WeakPolarHBondContact CB-SG 3.2Å; C124-C131 WeakPolarHBondContact SG-CB 3.29Å; C124-C131 CovalentContact SG-SG 2.02Å; C124-C131 PolarHBondContact SG-SG 3.22Å; G129-C131 PolarHBondContact O-N 3.06Å; C131-R133 PolarHBondContact O-N 3.38Å; C131-Q134 PolarHBondContact O-N 3.04Å; C131-K135 WeakPolarHBondContact O-CA 2.9Å; C131-K135 WeakPolarHBondContact O-CB 3.26Å; C131-K135 PolarHBondContact O-N 2.62Å
132R90.8Very high91.7Very high102 Ų10273.5 Ų73.539%0.38531%0.312SS..Hα-helixtrans-62-31.6-178.5-172.7160.3171.9-173.62.2113.4C124 W125 W126 K130C124-R132 VanDerWaalsContact O-CB 3.25Å; C124-R132 WeakPolarHBondContact O-CB 3.41Å; W125-R132 WeakPolarHBondContact O-CD 3.46Å; W125-R132 PolarHBondContact O-NH1 2.89Å; W126-R132 VanDerWaalsContact O-CB 3.25Å; W126-R132 WeakPolarHBondContact O-CB 3.48Å; K130-R132 PolarHBondContact O-N 2.67Å
133R91.1Very high91.7Very high174 Ų17473.5 Ų73.566%0.65731%0.312SS*.Hα-helixtrans-75.6-40-179.6-64.5179.1-174.6176.6-1.1112.1S127 K130 C131S127-R133 PolarHBondContact O-NE 3.02Å; K130-R133 PolarHBondContact O-N 3.38Å; C131-R133 PolarHBondContact O-N 3.38Å
134Q92.8Very high91.7Very high123 Ų12374.5 Ų74.558%0.57532%0.317SS*.Hα-helixtrans-93.9-32.5-174.9-65.5-177.9400113.7L74 K130 C131L74-Q134 HydrophobicContact CD1-CB 4.09Å; K130-Q134 PolarHBondContact O-N 3.01Å; C131-Q134 PolarHBondContact O-N 3.04Å
135K88.5Confident91.8Very high104 Ų10474.5 Ų74.545%0.45232%0.317SS..  trans-111.2124.1-179.9-60.1-65.9-175.2-177.90109.1L74 C131 F137L74-K135 HydrophobicContact CD1-CG 4.08Å; C131-K135 WeakPolarHBondContact O-CA 2.9Å; C131-K135 WeakPolarHBondContact O-CB 3.26Å; C131-K135 PolarHBondContact O-N 2.62Å; K135-F137 HydrophobicContact CB-CD2 4.14Å; K135-F137 HydrophobicContact CB-CE2 3.7Å; K135-F137 HydrophobicContact CB-CZ 3.92Å; K135-F137 HydrophobicContact CD-CZ 4.47Å; K135-F137 HydrophobicContact CG-CE2 4.28Å; K135-F137 HydrophobicContact CG-CZ 4.23Å
136R86.7Confident92Very high212 Ų21270.7 Ų70.780%0.830%0.303SS*.  trans-10589.9175.8-67.4-176.6-178.8-178.60.3109.1
137F89.8Confident92.1Very high42 Ų4270.8 Ų70.818%0.18430%0.303CS..  trans-91.5135.1173.7-61.4-52.7000110.2F91 C124 K135 Y140 I142F91-F137 HydrophobicContact CB-CD2 4.31Å; F91-F137 HydrophobicContact CB-CE2 3.84Å; F91-F137 HydrophobicContact CB-CZ 4.46Å; F91-F137 AromaticContact CD1-CE2 3.83Å; F91-F137 HydrophobicContact CD1-CE2 3.83Å; F91-F137 HydrophobicContact CD1-CZ 4.31Å; F91-F137 HydrophobicContact CD2-CE2 4.06Å; F91-F137 AromaticContact CD2-CZ 3.89Å; F91-F137 HydrophobicContact CD2-CZ 3.89Å; F91-F137 HydrophobicContact CE1-CE2 4.35Å; F91-F137 HydrophobicContact CE2-CZ 4.15Å; F91-F137 AromaticContact CG-CE2 3.63Å; F91-F137 HydrophobicContact CG-CE2 3.63Å; F91-F137 AromaticContact CG-CZ 3.96Å; F91-F137 HydrophobicContact CG-CZ 3.96Å; F91-F137 HydrophobicContact CZ-CZ 4.43Å; C124-F137 HydrophobicContact CB-CD2 4.13Å; C124-F137 HydrophobicContact CB-CE2 4.43Å; K135-F137 HydrophobicContact CB-CD2 4.14Å; K135-F137 HydrophobicContact CB-CE2 3.7Å; K135-F137 HydrophobicContact CB-CZ 3.92Å; K135-F137 HydrophobicContact CD-CZ 4.47Å; K135-F137 HydrophobicContact CG-CE2 4.28Å; K135-F137 HydrophobicContact CG-CZ 4.23Å; F137-Y140 HydrophobicContact CB-CE1 3.94Å; F137-Y140 HydrophobicContact CD2-CE1 4.01Å; F137-Y140 HydrophobicContact CG-CE1 4.42Å; F137-I142 HydrophobicContact CB-CD1 3.59Å; F137-I142 HydrophobicContact CD1-CD1 3.17Å; F137-I142 HydrophobicContact CD2-CD1 4.25Å; F137-I142 HydrophobicContact CE1-CD1 3.8Å; F137-I142 HydrophobicContact CG-CD1 3.43Å; F137-I142 VanDerWaalsContact CG-CD1 3.43Å
138Y88.5Confident92.2Very high220 Ų22074.1 Ų74.186%0.86331%0.307SS*.SBendtrans-90.3-23.6-179.1-64.5-78.7000113
139H91.1Very high92.2Very high108 Ų10879.8 Ų79.850%0.532%0.322SS..SBendtrans-136.6162.617762.280000110.4I142H139-I142 WeakPolarHBondContact O-CD1 3.3Å
140Y93.6Very high92.2Very high22 Ų2281.9 Ų81.99%0.08633%0.331CS..SBendtrans-135.1150.3174-64.9-76.7000109.2A93 C96 C124 W125 F137A93-Y140 HydrophobicContact CB-CD1 4.28Å; A93-Y140 HydrophobicContact CB-CD2 3.56Å; A93-Y140 HydrophobicContact CB-CE2 4.08Å; A93-Y140 HydrophobicContact CB-CG 3.68Å; C96-Y140 PolarHBondContact SG-O 2.92Å; C124-Y140 HydrophobicContact CB-CE1 3.81Å; C124-Y140 PolarHBondContact O-OH 3Å; C124-Y140 VanDerWaalsContact O-OH 3.14Å; W125-Y140 AromaticContact CE3-CE2 3.96Å; W125-Y140 HydrophobicContact CE3-CE2 3.96Å; W125-Y140 HydrophobicContact CZ3-CE2 4.48Å; F137-Y140 HydrophobicContact CB-CE1 3.94Å; F137-Y140 HydrophobicContact CD2-CE1 4.01Å; F137-Y140 HydrophobicContact CG-CE1 4.42Å
141P96.1Very high92Very high1 Ų179 Ų791%0.00633%0.327CS..  cis-79.5168.2-4.832.4-31000112.3F90 F91 H98 A102 F159F90-P141 HydrophobicContact CD2-CB 4.13Å; F90-P141 HydrophobicContact CE2-CB 3.29Å; F90-P141 HydrophobicContact CE2-CG 3.9Å; F90-P141 HydrophobicContact CZ-CB 3.68Å; F90-P141 HydrophobicContact CZ-CG 4.31Å; F91-P141 WeakPolarHBondContact O-CA 3.47Å; H98-P141 VanDerWaalsContact CB-CD 3.48Å; A102-P141 HydrophobicContact CB-CG 4.08Å; P141-F159 HydrophobicContact CG-CD1 4.01Å; P141-F159 HydrophobicContact CG-CD2 4.05Å; P141-F159 HydrophobicContact CG-CE1 3.76Å; P141-F159 HydrophobicContact CG-CE2 3.8Å; P141-F159 HydrophobicContact CG-CG 4.16Å; P141-F159 HydrophobicContact CG-CZ 3.65Å
142I95.8Very high92Very high10 Ų1081.2 Ų81.25%0.05134%0.342CS..EExtended strand (participates in β ladder)trans-130.2130169.7-65.2169.7000107.9F91 F137 H139 H144F91-I142 HydrophobicContact CB-CB 4.29Å; F91-I142 HydrophobicContact CD2-CB 4.42Å; F91-I142 HydrophobicContact CD2-CG2 4.25Å; F91-I142 PolarHBondContact N-O 2.92Å; F91-I142 PolarHBondContact O-N 3.44Å; F137-I142 HydrophobicContact CB-CD1 3.59Å; F137-I142 HydrophobicContact CD1-CD1 3.17Å; F137-I142 HydrophobicContact CD2-CD1 4.25Å; F137-I142 HydrophobicContact CE1-CD1 3.8Å; F137-I142 HydrophobicContact CG-CD1 3.43Å; F137-I142 VanDerWaalsContact CG-CD1 3.43Å; H139-I142 WeakPolarHBondContact O-CD1 3.3Å; I142-H144 WeakPolarHBondContact CG2-NE2 3.15Å
143I96.6Very high92.2Very high0 Ų076.3 Ų76.30%032%0.323CS..EExtended strand (participates in β ladder)trans-112.5120.7178.9-70.9164.9000108.3F88 I89 F90 V106 L145 Y155 F159 I164F88-I143 HydrophobicContact CD2-CG2 4.13Å; F88-I143 HydrophobicContact CE1-CG1 4.23Å; F88-I143 HydrophobicContact CE1-CG2 3.99Å; F88-I143 HydrophobicContact CE2-CG2 3.43Å; F88-I143 VanDerWaalsContact CE2-CG2 3.43Å; F88-I143 HydrophobicContact CZ-CB 4.26Å; F88-I143 HydrophobicContact CZ-CD1 3.81Å; F88-I143 HydrophobicContact CZ-CG1 3.86Å; F88-I143 HydrophobicContact CZ-CG2 3.36Å; I89-I143 WeakPolarHBondContact O-CA 3.25Å; F90-I143 HydrophobicContact CD2-CD1 4.24Å; F90-I143 HydrophobicContact CD2-CG1 3.67Å; F90-I143 HydrophobicContact CE2-CG1 4.32Å; V106-I143 HydrophobicContact CG2-CD1 4.48Å; I143-L145 HydrophobicContact CG2-CD1 3.67Å; I143-Y155 HydrophobicContact CB-CD1 4.39Å; I143-Y155 HydrophobicContact CD1-CD1 4.02Å; I143-Y155 PolarHBondContact O-N 3.2Å; I143-F159 HydrophobicContact CD1-CD1 3.65Å; I143-F159 HydrophobicContact CD1-CE1 3.71Å; I143-F159 HydrophobicContact CG1-CE1 4.27Å; I143-I164 HydrophobicContact CD1-CD1 4.17Å; I143-I164 HydrophobicContact CD1-CG1 4.46Å
144H96.3Very high92.4Very high26 Ų2670.4 Ų70.412%0.1230%0.303CS..EExtended strand (participates in β ladder)trans-115.1132.9171.6-69.9176.4000110.4I89 F91 I142 F146 P152 I153I89-H144 PolarHBondContact N-O 2.99Å; I89-H144 PolarHBondContact O-N 3.39Å; F91-H144 HydrophobicContact CE2-CB 4.11Å; F91-H144 AromaticContact CE2-CG 3.85Å; F91-H144 AromaticContact CE2-ND1 3.51Å; I142-H144 WeakPolarHBondContact CG2-NE2 3.15Å; H144-F146 HydrophobicContact CB-CD2 4.46Å; H144-F146 HydrophobicContact CB-CE2 3.72Å; H144-F146 HydrophobicContact CB-CZ 4.43Å; H144-P152 HydrophobicContact CB-CB 4.14Å; H144-I153 WeakPolarHBondContact CA-O 3.32Å
145L96.4Very high92.4Very high0 Ų065 Ų650%028%0.277CS..EExtended strand (participates in β ladder)trans-105.5147168.4-74.287.2000110.5S87 F88 I143 I153 F167 T168 V171S87-L145 CarbonylContact O-C 3.59Å; S87-L145 VanDerWaalsContact O-CA 3.32Å; S87-L145 WeakPolarHBondContact O-CA 3.32Å; F88-L145 HydrophobicContact CD2-CD1 3.78Å; F88-L145 HydrophobicContact CD2-CD2 4.1Å; F88-L145 HydrophobicContact CD2-CG 3.87Å; F88-L145 HydrophobicContact CE2-CD1 4Å; I143-L145 HydrophobicContact CG2-CD1 3.67Å; L145-I153 PolarHBondContact N-O 2.94Å; L145-I153 PolarHBondContact O-N 3.47Å; L145-F167 HydrophobicContact CD1-CD1 3.87Å; L145-F167 HydrophobicContact CD1-CE1 3.7Å; L145-T168 HydrophobicContact CD2-CG2 3.89Å; L145-V171 HydrophobicContact CB-CG1 4.19Å; L145-V171 HydrophobicContact CB-CG2 4.35Å; L145-V171 HydrophobicContact CD2-CB 3.94Å; L145-V171 HydrophobicContact CD2-CG1 4.2Å; L145-V171 HydrophobicContact CD2-CG2 3.99Å
146F95.3Very high92.5Very high24 Ų2467.9 Ų67.911%0.10529%0.285CS..EExtended strand (participates in β ladder)trans-129133.9175-66.3-97.6000108.6K81 V86 S87 I89 H144 F150 P152K81-F146 HydrophobicContact CD-CB 4.16Å; K81-F146 HydrophobicContact CD-CD1 3.74Å; K81-F146 HydrophobicContact CD-CD2 4.3Å; K81-F146 HydrophobicContact CD-CE1 4.15Å; K81-F146 HydrophobicContact CD-CG 3.8Å; K81-F146 HydrophobicContact CG-CB 4.16Å; K81-F146 HydrophobicContact CG-CG 4.28Å; V86-F146 VanDerWaalsContact CA-O 3.3Å; V86-F146 WeakPolarHBondContact CA-O 3.41Å; S87-F146 PolarHBondContact N-O 3.36Å; S87-F146 PolarHBondContact O-N 2.86Å; I89-F146 HydrophobicContact CD1-CD2 3.73Å; I89-F146 HydrophobicContact CD1-CE2 3.54Å; I89-F146 HydrophobicContact CD1-CZ 4.49Å; I89-F146 HydrophobicContact CG1-CD2 4.49Å; I89-F146 HydrophobicContact CG1-CE2 4.47Å; H144-F146 HydrophobicContact CB-CD2 4.46Å; H144-F146 HydrophobicContact CB-CE2 3.72Å; H144-F146 HydrophobicContact CB-CZ 4.43Å; F146-F150 WeakPolarHBondContact CA-O 3.35Å; F146-P152 HydrophobicContact CE1-CB 3.91Å; F146-P152 HydrophobicContact CE2-CB 4.21Å; F146-P152 HydrophobicContact CZ-CB 3.58Å; F146-P152 HydrophobicContact CZ-CG 4.48Å
147Y93.8Very high92.6Very high35 Ų3558.2 Ų58.214%0.13725%0.252CS..EExtended strand (participates in β ladder)trans-109.5102.4172.8-173.7-84.9000107.7E85 V86 R149 F150 V171 L214 L218E85-Y147 CarbonylContact O-C 3.56Å; E85-Y147 WeakPolarHBondContact O-CA 3.39Å; V86-Y147 HydrophobicContact CG2-CD2 3.79Å; V86-Y147 HydrophobicContact CG2-CE2 4.2Å; Y147-R149 PolarHBondContact O-N 3.43Å; Y147-R149 VanDerWaalsContact O-N 3.14Å; Y147-F150 PolarHBondContact N-O 2.85Å; Y147-F150 WeakPolarHBondContact O-CA 3.47Å; Y147-F150 VanDerWaalsContact O-CB 3.29Å; Y147-F150 WeakPolarHBondContact O-CB 3.3Å; Y147-F150 PolarHBondContact O-N 2.86Å; Y147-V171 WeakPolarHBondContact CD2-O 3.46Å; Y147-L214 HydrophobicContact CE1-CD2 4.25Å; Y147-L218 HydrophobicContact CD1-CD1 3.68Å; Y147-L218 HydrophobicContact CD2-CD2 4.46Å; Y147-L218 HydrophobicContact CE1-CD1 4.41Å; Y147-L218 HydrophobicContact CG-CD1 3.85Å; Y147-L218 HydrophobicContact CG-CD2 4.2Å
148R89.7Confident92.7Very high131 Ų13157 Ų5749%0.49425%0.249SC..THydrogen-bonded Turntrans53.6-114.1-171-57.8177173.1175.1-3.1110.4E85E85-R148 PolarHBondContact O-N 2.77Å; E85-R148 IonicContact OE1-CZ 3Å; E85-R148 IonicContact OE1-NE 2.67Å; E85-R148 PolarHBondContact OE1-NE 2.93Å; E85-R148 IonicContact OE1-NH2 2.69Å; E85-R148 PolarHBondContact OE1-NH2 3.03Å
149R87.1Confident92.8Very high247 Ų24749.6 Ų49.693%0.93222%0.221SC*.THydrogen-bonded Turntrans-90.5-8176.5-62.7-174.6-178.8-174.60.7113.5Y147Y147-R149 PolarHBondContact O-N 3.43Å; Y147-R149 VanDerWaalsContact O-N 3.14Å
150F90.8Very high92.9Very high46 Ų4646.9 Ų46.920%0.20221%0.212CC..EExtended strand (participates in β ladder)trans-84.6130.8-179.2-173.8-80.7000111F146 Y147 I153 L218 Q219F146-F150 WeakPolarHBondContact CA-O 3.35Å; Y147-F150 PolarHBondContact N-O 2.85Å; Y147-F150 WeakPolarHBondContact O-CA 3.47Å; Y147-F150 VanDerWaalsContact O-CB 3.29Å; Y147-F150 WeakPolarHBondContact O-CB 3.3Å; Y147-F150 PolarHBondContact O-N 2.86Å; F150-I153 HydrophobicContact CD1-CD1 4Å; F150-I153 HydrophobicContact CD1-CG1 4.14Å; F150-I153 HydrophobicContact CE1-CD1 3.91Å; F150-I153 HydrophobicContact CE1-CG1 3.89Å; F150-L218 HydrophobicContact CB-CD1 4.29Å; F150-L218 HydrophobicContact CD1-CB 3.71Å; F150-L218 HydrophobicContact CD1-CD1 3.97Å; F150-L218 HydrophobicContact CD1-CG 4.4Å; F150-L218 HydrophobicContact CE1-CB 3.41Å; F150-L218 VanDerWaalsContact CE1-CB 3.41Å; F150-L218 HydrophobicContact CE2-CB 4.4Å; F150-L218 HydrophobicContact CG-CB 4.34Å; F150-L218 HydrophobicContact CG-CD1 4.05Å; F150-L218 HydrophobicContact CZ-CB 3.79Å; F150-Q219 HydrophobicContact CE2-CG 3.72Å; F150-Q219 HydrophobicContact CZ-CB 4.25Å; F150-Q219 HydrophobicContact CZ-CG 3.41Å; F150-Q219 VanDerWaalsContact CZ-CG 3.41Å
151G88.9Confident93Very high31 Ų3146 Ų4632%0.3221%0.209SC..EExtended strand (participates in β ladder)trans147.3-178.8177.300000112
152P93.5Very high92.9Very high47 Ų4747.9 Ų47.931%0.30522%0.221SC..EExtended strand (participates in β ladder)cis-74.2139.43.228.5-33.7000113.2H144 F146H144-P152 HydrophobicContact CB-CB 4.14Å; F146-P152 HydrophobicContact CE1-CB 3.91Å; F146-P152 HydrophobicContact CE2-CB 4.21Å; F146-P152 HydrophobicContact CZ-CB 3.58Å; F146-P152 HydrophobicContact CZ-CG 4.48Å
153I95Very high92.7Very high0 Ų048.7 Ų48.70%022%0.224CC..EExtended strand (participates in β ladder)trans-100.1105.8164.5-49.9178.2000106.9H144 L145 F150 F167 V171 L218 L221 R222H144-I153 WeakPolarHBondContact CA-O 3.32Å; L145-I153 PolarHBondContact N-O 2.94Å; L145-I153 PolarHBondContact O-N 3.47Å; F150-I153 HydrophobicContact CD1-CD1 4Å; F150-I153 HydrophobicContact CD1-CG1 4.14Å; F150-I153 HydrophobicContact CE1-CD1 3.91Å; F150-I153 HydrophobicContact CE1-CG1 3.89Å; I153-F167 HydrophobicContact CG2-CE1 4.47Å; I153-F167 HydrophobicContact CG2-CZ 3.77Å; I153-V171 HydrophobicContact CD1-CG1 4.16Å; I153-V171 HydrophobicContact CD1-CG2 4.32Å; I153-L218 HydrophobicContact CD1-CB 4.24Å; I153-L218 HydrophobicContact CD1-CD2 3.94Å; I153-L221 HydrophobicContact CG2-CB 4.41Å; I153-R222 HydrophobicContact CG2-CB 4.25Å
154E94.1Very high92.7Very high49 Ų4948.7 Ų48.723%0.22922%0.224CC..EExtended strand (participates in β ladder)trans-79.3130.7-178.9-177-174.4-165.700110.8R156E154-R156 HydrophobicContact CG-CG 4.18Å; E154-R156 IonicContact OE2-CZ 3.77Å; E154-R156 IonicContact OE2-NE 3.69Å; E154-R156 PolarHBondContact OE2-NE 2.88Å; E154-R156 IonicContact OE2-NH2 3.18Å; E154-R156 PolarHBondContact OE2-NH2 2.84Å
155Y93.8Very high92.6Very high10 Ų1048.6 Ų48.64%0.03922%0.224CC..EExtended strand (participates in β ladder)trans-86.2121.8171.3176.9-108.6000110.6I143 G157 P158 F159 Y163 I164 F167 F225I143-Y155 HydrophobicContact CB-CD1 4.39Å; I143-Y155 HydrophobicContact CD1-CD1 4.02Å; I143-Y155 PolarHBondContact O-N 3.2Å; Y155-G157 VanDerWaalsContact CE1-C 3.47Å; Y155-G157 VanDerWaalsContact CE1-O 3.28Å; Y155-G157 WeakPolarHBondContact CE1-O 3.49Å; Y155-G157 WeakPolarHBondContact OH-CA 3.4Å; Y155-P158 WeakPolarHBondContact OH-CD 3.38Å; Y155-P158 PolarHBondContact OH-O 2.95Å; Y155-F159 HydrophobicContact CD1-CE1 4.33Å; Y155-F159 HydrophobicContact CE1-CD1 4.39Å; Y155-Y163 WeakPolarHBondContact OH-CB 3.41Å; Y155-I164 HydrophobicContact CE1-CG1 3.94Å; Y155-F167 HydrophobicContact CD2-CB 3.8Å; Y155-F167 AromaticContact CD2-CD1 3.3Å; Y155-F167 HydrophobicContact CD2-CD1 3.3Å; Y155-F167 HydrophobicContact CD2-CD2 4.1Å; Y155-F167 AromaticContact CD2-CE1 3.77Å; Y155-F167 HydrophobicContact CD2-CE1 3.77Å; Y155-F167 AromaticContact CD2-CG 3.46Å; Y155-F167 HydrophobicContact CD2-CG 3.46Å; Y155-F167 VanDerWaalsContact CD2-CG 3.46Å; Y155-F167 HydrophobicContact CD2-CZ 4.36Å; Y155-F167 HydrophobicContact CE2-CB 3.7Å; Y155-F167 HydrophobicContact CE2-CD1 4.12Å; Y155-F167 AromaticContact CE2-CG 3.88Å; Y155-F167 HydrophobicContact CE2-CG 3.88Å; Y155-F167 AromaticContact CG-CD1 3.98Å; Y155-F167 HydrophobicContact CG-CD1 3.98Å; Y155-F167 HydrophobicContact CG-CE1 4.22Å; Y155-F225 HydrophobicContact CE2-CD2 4.3Å
156R89.9Confident92.5Very high164 Ų16449.1 Ų49.162%0.61923%0.227SC*.  trans-113.212.3-177.9-61.3-178.6178.1-163-3.8113.7E154 F225E154-R156 HydrophobicContact CG-CG 4.18Å; E154-R156 IonicContact OE2-CZ 3.77Å; E154-R156 IonicContact OE2-NE 3.69Å; E154-R156 PolarHBondContact OE2-NE 2.88Å; E154-R156 IonicContact OE2-NH2 3.18Å; E154-R156 PolarHBondContact OE2-NH2 2.84Å; R156-F225 HydrophobicContact CB-CD1 3.73Å; R156-F225 HydrophobicContact CB-CE1 3.93Å; R156-F225 HydrophobicContact CB-CG 4.39Å
157G89.1Confident92.5Very high9 Ų948.1 Ų48.19%0.09322%0.223CC..SBendtrans-89.4-177.2179.800000113.9Y155Y155-G157 VanDerWaalsContact CE1-C 3.47Å; Y155-G157 VanDerWaalsContact CE1-O 3.28Å; Y155-G157 WeakPolarHBondContact CE1-O 3.49Å; Y155-G157 WeakPolarHBondContact OH-CA 3.4Å
158P90.5Very high92.6Very high18 Ų1846.5 Ų46.512%0.11722%0.216CC..  trans-68.3139.7178.830.4-36.2000111.6Y155 V160 Y163 L501Y155-P158 WeakPolarHBondContact OH-CD 3.38Å; Y155-P158 PolarHBondContact OH-O 2.95Å; P158-V160 HydrophobicContact CB-CG2 4.34Å; P158-V160 PolarHBondContact O-N 3.31Å; P158-Y163 HydrophobicContact CG-CD1 3.58Å; P158-Y163 HydrophobicContact CG-CD2 3.78Å; P158-Y163 HydrophobicContact CG-CE1 3.96Å; P158-Y163 HydrophobicContact CG-CE2 4.14Å; P158-Y163 HydrophobicContact CG-CG 3.49Å; P158-Y163 VanDerWaalsContact CG-CG 3.49Å; P158-L501 HydrophobicContact CB-CD1 3.8Å; P158-L501 HydrophobicContact CB-CD2 4.18Å; P158-L501 HydrophobicContact CG-CD1 3.62Å
159F92.3Very high92.8Very high63 Ų6343.1 Ų43.128%0.27621%0.208SC..SBendtrans-79.458.9-177.9-60.2-67.7000113A102 E105 P141 I143 Y155A102-F159 HydrophobicContact CB-CB 3.79Å; A102-F159 HydrophobicContact CB-CD1 4.43Å; A102-F159 HydrophobicContact CB-CG 4.18Å; E105-F159 WeakPolarHBondContact CG-O 3.3Å; P141-F159 HydrophobicContact CG-CD1 4.01Å; P141-F159 HydrophobicContact CG-CD2 4.05Å; P141-F159 HydrophobicContact CG-CE1 3.76Å; P141-F159 HydrophobicContact CG-CE2 3.8Å; P141-F159 HydrophobicContact CG-CG 4.16Å; P141-F159 HydrophobicContact CG-CZ 3.65Å; I143-F159 HydrophobicContact CD1-CD1 3.65Å; I143-F159 HydrophobicContact CD1-CE1 3.71Å; I143-F159 HydrophobicContact CG1-CE1 4.27Å; Y155-F159 HydrophobicContact CD1-CE1 4.33Å; Y155-F159 HydrophobicContact CE1-CD1 4.39Å
160V92.9Very high93Very high51 Ų5132.9 Ų32.931%0.30917%0.169SC..SBendtrans-123.5142.1179.1-164.50000109.3P158 Y163 I164 L501P158-V160 HydrophobicContact CB-CG2 4.34Å; P158-V160 PolarHBondContact O-N 3.31Å; V160-Y163 HydrophobicContact CB-CD2 4.26Å; V160-Y163 PolarHBondContact O-N 2.9Å; V160-Y163 VanDerWaalsContact O-N 3.12Å; V160-I164 WeakPolarHBondContact O-CG1 3.33Å; V160-I164 PolarHBondContact O-N 2.77Å; V160-L501 HydrophobicContact CG2-CD2 4.04Å
161A94.6Very high93.2Very high4 Ų430.7 Ų30.73%0.03316%0.16CC..Hα-helixtrans-54-46.6-169.200000114.3E105 Q108 V109 Y163 I164 E165E105-A161 HydrophobicContact CB-CB 4.31Å; E105-A161 WeakPolarHBondContact OE2-CB 3.45Å; E105-A161 PolarHBondContact OE2-N 3.22Å; Q108-A161 HydrophobicContact CB-CB 4.42Å; V109-A161 HydrophobicContact CG2-CB 3.8Å; V109-A161 WeakPolarHBondContact CG2-O 3.16Å; A161-Y163 VanDerWaalsContact C-N 3.29Å; A161-Y163 PolarHBondContact O-N 2.9Å; A161-I164 PolarHBondContact O-N 3.47Å; A161-E165 WeakPolarHBondContact O-CB 3.42Å; A161-E165 PolarHBondContact O-N 2.57Å
162P93.6Very high93.4Very high40 Ų4030.5 Ų30.526%0.2615%0.151SC..Hα-helixtrans-61-37.8180-23.835.7000112.9S166 P318 L319P162-S166 WeakPolarHBondContact O-CB 3.47Å; P162-S166 PolarHBondContact O-N 2.81Å; P162-P318 VanDerWaalsContact C-CG 3.47Å; P162-P318 HydrophobicContact CB-CG 3.86Å; P162-P318 WeakPolarHBondContact O-CG 3.45Å; P162-L319 HydrophobicContact CB-CD1 4.02Å; P162-L319 HydrophobicContact CB-CG 4.15Å
163Y93.6Very high93.4Very high27 Ų2732.6 Ų32.611%0.10616%0.163CC..Hα-helixtrans-73-42.6179.8-73.4-93.5000112.2Y155 P158 V160 A161 F167 P318 D498 L501Y155-Y163 WeakPolarHBondContact OH-CB 3.41Å; P158-Y163 HydrophobicContact CG-CD1 3.58Å; P158-Y163 HydrophobicContact CG-CD2 3.78Å; P158-Y163 HydrophobicContact CG-CE1 3.96Å; P158-Y163 HydrophobicContact CG-CE2 4.14Å; P158-Y163 HydrophobicContact CG-CG 3.49Å; P158-Y163 VanDerWaalsContact CG-CG 3.49Å; V160-Y163 HydrophobicContact CB-CD2 4.26Å; V160-Y163 PolarHBondContact O-N 2.9Å; V160-Y163 VanDerWaalsContact O-N 3.12Å; A161-Y163 VanDerWaalsContact C-N 3.29Å; A161-Y163 PolarHBondContact O-N 2.9Å; Y163-F167 WeakPolarHBondContact O-CB 3.45Å; Y163-F167 PolarHBondContact O-N 3.08Å; Y163-P318 HydrophobicContact CD1-CB 4.17Å; Y163-P318 HydrophobicContact CD1-CG 3.82Å; Y163-P318 HydrophobicContact CD2-CG 3.89Å; Y163-P318 HydrophobicContact CE1-CB 4.33Å; Y163-P318 HydrophobicContact CE1-CG 4.09Å; Y163-P318 HydrophobicContact CE2-CG 4.15Å; Y163-P318 HydrophobicContact CG-CG 3.71Å; Y163-D498 VanDerWaalsContact OH-CB 3.31Å; Y163-D498 WeakPolarHBondContact OH-CB 3.39Å; Y163-D498 VanDerWaalsContact OH-CG 3.28Å; Y163-D498 PolarHBondContact OH-OD2 3.13Å; Y163-L501 HydrophobicContact CE1-CD1 4.42Å; Y163-L501 HydrophobicContact CE2-CD1 3.82Å
164I95.4Very high93.3Very high1 Ų133.4 Ų33.41%0.00517%0.168CC..Hα-helixtrans-63.7-44.7175.3-63.7171000109.8F88 E105 V106 V109 I143 Y155 V160 A161 F167 T168F88-I164 HydrophobicContact CE2-CG2 3.61Å; F88-I164 HydrophobicContact CZ-CG2 3.79Å; E105-I164 HydrophobicContact CB-CD1 4.41Å; V106-I164 HydrophobicContact CG2-CD1 4.15Å; V109-I164 HydrophobicContact CB-CG2 4.49Å; V109-I164 HydrophobicContact CG1-CG2 4.3Å; V109-I164 HydrophobicContact CG2-CB 4.2Å; V109-I164 HydrophobicContact CG2-CG2 4.18Å; I143-I164 HydrophobicContact CD1-CD1 4.17Å; I143-I164 HydrophobicContact CD1-CG1 4.46Å; Y155-I164 HydrophobicContact CE1-CG1 3.94Å; V160-I164 WeakPolarHBondContact O-CG1 3.33Å; V160-I164 PolarHBondContact O-N 2.77Å; A161-I164 PolarHBondContact O-N 3.47Å; I164-F167 PolarHBondContact O-N 3.42Å; I164-T168 WeakPolarHBondContact O-CB 3.41Å; I164-T168 PolarHBondContact O-N 3.05Å; I164-T168 PolarHBondContact O-OG1 3Å
165E95.3Very high93.3Very high24 Ų2432.2 Ų32.211%0.11216%0.163CC..Hα-helixtrans-61.8-51.1177.4-176.8177.1169.800110.9V109 K112 L113 A161 F167 T168 L169 L319V109-E165 HydrophobicContact CG1-CB 4.11Å; V109-E165 HydrophobicContact CG2-CB 4.05Å; K112-E165 WeakPolarHBondContact CD-OE2 3.17Å; K112-E165 IonicContact NZ-OE1 3.44Å; K112-E165 IonicContact NZ-OE2 2.83Å; K112-E165 PolarHBondContact NZ-OE2 3.42Å; L113-E165 HydrophobicContact CD1-CG 4.33Å; A161-E165 WeakPolarHBondContact O-CB 3.42Å; A161-E165 PolarHBondContact O-N 2.57Å; E165-F167 VanDerWaalsContact C-N 3.31Å; E165-F167 PolarHBondContact O-N 2.87Å; E165-T168 PolarHBondContact O-N 3.12Å; E165-T168 VanDerWaalsContact O-N 3.15Å; E165-L169 HydrophobicContact CG-CD1 4.09Å; E165-L169 HydrophobicContact CG-CG 4.49Å; E165-L169 WeakPolarHBondContact O-CB 3.45Å; E165-L169 VanDerWaalsContact O-CG 3.31Å; E165-L169 WeakPolarHBondContact O-CG 3.45Å; E165-L169 PolarHBondContact O-N 3.5Å; E165-L319 HydrophobicContact CB-CD2 4Å; E165-L319 HydrophobicContact CG-CD1 4.48Å; E165-L319 HydrophobicContact CG-CD2 3.74Å
166S93.5Very high93.3Very high11 Ų1134.7 Ų34.78%0.07718%0.18CC..Hα-helixtrans-58.2-43.1177.9-1720000111.6P162 R170 P318P162-S166 WeakPolarHBondContact O-CB 3.47Å; P162-S166 PolarHBondContact O-N 2.81Å; S166-R170 WeakPolarHBondContact O-CG 3.31Å; S166-R170 PolarHBondContact O-N 2.73Å; S166-R170 VanDerWaalsContact O-N 3.16Å; S166-R170 PolarHBondContact O-NE 3.02Å; S166-R170 PolarHBondContact OG-NE 3.43Å; S166-R170 PolarHBondContact OG-NH2 3.01Å; S166-P318 WeakPolarHBondContact CB-O 3.46Å; S166-P318 PolarHBondContact OG-O 3.03Å
167F94.8Very high93.4Very high3 Ų333.2 Ų33.21%0.01318%0.175CC..Hα-helixtrans-66.1-42.8176-176.7-110.8000112.5L145 I153 Y155 Y163 I164 E165 L169 R170 V171 F225L145-F167 HydrophobicContact CD1-CD1 3.87Å; L145-F167 HydrophobicContact CD1-CE1 3.7Å; I153-F167 HydrophobicContact CG2-CE1 4.47Å; I153-F167 HydrophobicContact CG2-CZ 3.77Å; Y155-F167 HydrophobicContact CD2-CB 3.8Å; Y155-F167 AromaticContact CD2-CD1 3.3Å; Y155-F167 HydrophobicContact CD2-CD1 3.3Å; Y155-F167 HydrophobicContact CD2-CD2 4.1Å; Y155-F167 AromaticContact CD2-CE1 3.77Å; Y155-F167 HydrophobicContact CD2-CE1 3.77Å; Y155-F167 AromaticContact CD2-CG 3.46Å; Y155-F167 HydrophobicContact CD2-CG 3.46Å; Y155-F167 VanDerWaalsContact CD2-CG 3.46Å; Y155-F167 HydrophobicContact CD2-CZ 4.36Å; Y155-F167 HydrophobicContact CE2-CB 3.7Å; Y155-F167 HydrophobicContact CE2-CD1 4.12Å; Y155-F167 AromaticContact CE2-CG 3.88Å; Y155-F167 HydrophobicContact CE2-CG 3.88Å; Y155-F167 AromaticContact CG-CD1 3.98Å; Y155-F167 HydrophobicContact CG-CD1 3.98Å; Y155-F167 HydrophobicContact CG-CE1 4.22Å; Y163-F167 WeakPolarHBondContact O-CB 3.45Å; Y163-F167 PolarHBondContact O-N 3.08Å; I164-F167 PolarHBondContact O-N 3.42Å; E165-F167 VanDerWaalsContact C-N 3.31Å; E165-F167 PolarHBondContact O-N 2.87Å; F167-L169 PolarHBondContact O-N 3.09Å; F167-R170 WeakPolarHBondContact O-CB 3.43Å; F167-R170 PolarHBondContact O-N 2.82Å; F167-R170 VanDerWaalsContact O-N 3.14Å; F167-V171 HydrophobicContact CE1-CG2 4.28Å; F167-V171 HydrophobicContact CZ-CG2 4.3Å; F167-V171 PolarHBondContact O-N 2.78Å; F167-V171 VanDerWaalsContact O-N 3.12Å; F167-F225 HydrophobicContact CD2-CB 4.13Å; F167-F225 HydrophobicContact CE2-CB 3.78Å; F167-F225 HydrophobicContact CZ-CB 4.43Å
168T95.4Very high93.7Very high0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-61.3-45.1177.8-550000110.8L113 V117 L145 I164 E165 R170 V171 I172L113-T168 HydrophobicContact CD1-CG2 3.72Å; V117-T168 HydrophobicContact CG1-CG2 4.39Å; V117-T168 HydrophobicContact CG2-CG2 3.82Å; L145-T168 HydrophobicContact CD2-CG2 3.89Å; I164-T168 WeakPolarHBondContact O-CB 3.41Å; I164-T168 PolarHBondContact O-N 3.05Å; I164-T168 PolarHBondContact O-OG1 3Å; E165-T168 PolarHBondContact O-N 3.12Å; E165-T168 VanDerWaalsContact O-N 3.15Å; T168-R170 VanDerWaalsContact C-N 3.27Å; T168-R170 PolarHBondContact O-N 3.27Å; T168-V171 PolarHBondContact O-N 3.47Å; T168-I172 HydrophobicContact CG2-CD1 4.08Å; T168-I172 WeakPolarHBondContact O-CG1 3.31Å; T168-I172 PolarHBondContact O-N 3.38Å
169L94.3Very high93.8Very high60 Ų6034.6 Ų34.631%0.31418%0.182SC..Hα-helixtrans-58.3-36.9174.9-70.8172.6000112.4L113 E165 F167 V171 I172 T173 L319L113-L169 HydrophobicContact CD2-CD2 3.99Å; E165-L169 HydrophobicContact CG-CD1 4.09Å; E165-L169 HydrophobicContact CG-CG 4.49Å; E165-L169 WeakPolarHBondContact O-CB 3.45Å; E165-L169 VanDerWaalsContact O-CG 3.31Å; E165-L169 WeakPolarHBondContact O-CG 3.45Å; E165-L169 PolarHBondContact O-N 3.5Å; F167-L169 PolarHBondContact O-N 3.09Å; L169-V171 VanDerWaalsContact C-N 3.34Å; L169-V171 PolarHBondContact O-N 3.3Å; L169-I172 HydrophobicContact CD2-CD1 4.1Å; L169-I172 PolarHBondContact O-N 3.38Å; L169-T173 PolarHBondContact O-N 3.47Å; L169-T173 PolarHBondContact O-OG1 2.83Å; L169-T173 VanDerWaalsContact O-OG1 3.08Å; L169-L319 HydrophobicContact CD1-CD2 4.23Å
170R92.4Very high93.9Very high33 Ų3334.5 Ų34.513%0.12519%0.187CC..Hα-helixtrans-67.2-34.7175.4-65.9167.5-154.9-176.6-6.1112.9S166 F167 T168 T173 P174 L221 F225 H226 R230S166-R170 WeakPolarHBondContact O-CG 3.31Å; S166-R170 PolarHBondContact O-N 2.73Å; S166-R170 VanDerWaalsContact O-N 3.16Å; S166-R170 PolarHBondContact O-NE 3.02Å; S166-R170 PolarHBondContact OG-NE 3.43Å; S166-R170 PolarHBondContact OG-NH2 3.01Å; F167-R170 WeakPolarHBondContact O-CB 3.43Å; F167-R170 PolarHBondContact O-N 2.82Å; F167-R170 VanDerWaalsContact O-N 3.14Å; T168-R170 VanDerWaalsContact C-N 3.27Å; T168-R170 PolarHBondContact O-N 3.27Å; R170-T173 CarbonylContact O-C 3.52Å; R170-T173 VanDerWaalsContact O-C 3.24Å; R170-P174 VanDerWaalsContact O-CA 3.22Å; R170-P174 WeakPolarHBondContact O-CA 3.45Å; R170-P174 VanDerWaalsContact O-N 3.16Å; R170-L221 HydrophobicContact CB-CD1 4.18Å; R170-L221 HydrophobicContact CB-CD2 4.13Å; R170-F225 PolarHBondContact NH1-O 2.97Å; R170-H226 PolarHBondContact NH1-O 3.5Å; R170-R230 VanDerWaalsContact CG-NH1 3.34Å; R170-R230 VanDerWaalsContact CZ-NH2 3.28Å; R170-R230 VanDerWaalsContact NE-NH2 3.2Å
171V94.4Very high93.8Very high0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-74.1-35.2175.2177.90000110.9V86 L145 Y147 I153 F167 T168 L169 L218 L221V86-V171 HydrophobicContact CG1-CG1 4.26Å; L145-V171 HydrophobicContact CB-CG1 4.19Å; L145-V171 HydrophobicContact CB-CG2 4.35Å; L145-V171 HydrophobicContact CD2-CB 3.94Å; L145-V171 HydrophobicContact CD2-CG1 4.2Å; L145-V171 HydrophobicContact CD2-CG2 3.99Å; Y147-V171 WeakPolarHBondContact CD2-O 3.46Å; I153-V171 HydrophobicContact CD1-CG1 4.16Å; I153-V171 HydrophobicContact CD1-CG2 4.32Å; F167-V171 HydrophobicContact CE1-CG2 4.28Å; F167-V171 HydrophobicContact CZ-CG2 4.3Å; F167-V171 PolarHBondContact O-N 2.78Å; F167-V171 VanDerWaalsContact O-N 3.12Å; T168-V171 PolarHBondContact O-N 3.47Å; L169-V171 VanDerWaalsContact C-N 3.34Å; L169-V171 PolarHBondContact O-N 3.3Å; V171-L218 HydrophobicContact CG1-CD2 4.4Å; V171-L221 HydrophobicContact CG2-CD1 4.17Å
172I93.9Very high93.7Very high26 Ų2642.2 Ų42.213%0.13322%0.224CC..Hα-helixtrans-63.3-47.2173.6-63.5159.5000110.4V86 L113 Q116 V117 T168 L169 P174V86-I172 HydrophobicContact CG1-CG1 4.4Å; V86-I172 HydrophobicContact CG2-CG1 4.19Å; L113-I172 HydrophobicContact CD1-CD1 4.39Å; Q116-I172 HydrophobicContact CB-CD1 4.48Å; V117-I172 HydrophobicContact CG2-CD1 3.56Å; V117-I172 HydrophobicContact CG2-CG1 3.82Å; T168-I172 HydrophobicContact CG2-CD1 4.08Å; T168-I172 WeakPolarHBondContact O-CG1 3.31Å; T168-I172 PolarHBondContact O-N 3.38Å; L169-I172 HydrophobicContact CD2-CD1 4.1Å; L169-I172 PolarHBondContact O-N 3.38Å; I172-P174 VanDerWaalsContact C-CD 3.49Å; I172-P174 WeakPolarHBondContact O-CD 3.43Å
173T92.6Very high93.6Very high91 Ų9144.9 Ų44.956%0.55823%0.233SC*.  trans-121.377.2-179.460.90000111.3L169 R170 L175L169-T173 PolarHBondContact O-N 3.47Å; L169-T173 PolarHBondContact O-OG1 2.83Å; L169-T173 VanDerWaalsContact O-OG1 3.08Å; R170-T173 CarbonylContact O-C 3.52Å; R170-T173 VanDerWaalsContact O-C 3.24Å; T173-L175 VanDerWaalsContact C-N 3.33Å
174P92.4Very high93.5Very high17 Ų1743.8 Ų43.811%0.1123%0.229CC..  trans-74-23.7-177.730.1-36.8000113.1R170 I172 L214 A217 L218 L221R170-P174 VanDerWaalsContact O-CA 3.22Å; R170-P174 WeakPolarHBondContact O-CA 3.45Å; R170-P174 VanDerWaalsContact O-N 3.16Å; I172-P174 VanDerWaalsContact C-CD 3.49Å; I172-P174 WeakPolarHBondContact O-CD 3.43Å; P174-L214 HydrophobicContact CB-CD1 4.39Å; P174-L214 HydrophobicContact CG-CD1 3.39Å; P174-A217 HydrophobicContact CB-CB 4.17Å; P174-L218 HydrophobicContact CB-CD2 3.84Å; P174-L218 HydrophobicContact CB-CG 4.18Å; P174-L218 HydrophobicContact CG-CD2 3.97Å; P174-L218 HydrophobicContact CG-CG 4.24Å; P174-L221 HydrophobicContact CB-CD1 4.46Å
175L93.9Very high93.1Very high24 Ų2450.9 Ų50.913%0.12626%0.26CS..EExtended strand (participates in β ladder)trans-112.1134.7177-59.3-177000110.5T173 Y210 Y213 L214 A217 F231 V233T173-L175 VanDerWaalsContact C-N 3.33Å; L175-Y210 HydrophobicContact CD1-CE2 3.71Å; L175-Y213 HydrophobicContact CD1-CD1 4.12Å; L175-Y213 HydrophobicContact CD1-CE1 4.42Å; L175-Y213 HydrophobicContact CD2-CD1 3.93Å; L175-Y213 HydrophobicContact CD2-CE1 3.67Å; L175-L214 HydrophobicContact CD1-CB 3.98Å; L175-L214 HydrophobicContact CD1-CD1 3.78Å; L175-L214 HydrophobicContact CD1-CG 4.49Å; L175-L214 HydrophobicContact CG-CD1 3.77Å; L175-A217 HydrophobicContact CD2-CB 3.68Å; L175-F231 HydrophobicContact CD2-CB 3.47Å; L175-F231 VanDerWaalsContact CD2-CB 3.47Å; L175-F231 HydrophobicContact CD2-CD1 4.44Å; L175-F231 HydrophobicContact CD2-CG 4.32Å; L175-V233 HydrophobicContact CB-CG1 4.44Å
176T93.4Very high92.8Very high63 Ų6354.5 Ų54.539%0.38728%0.28SS..EExtended strand (participates in β ladder)trans-97.7122.9172.9-54.90000110L178 F187 F231 G232 V233T176-L178 HydrophobicContact CG2-CD2 4.14Å; T176-F187 HydrophobicContact CG2-CD2 4.41Å; T176-F231 PolarHBondContact N-O 3.01Å; T176-G232 CarbonylContact O-C 3.58Å; T176-G232 VanDerWaalsContact O-CA 3.24Å; T176-G232 WeakPolarHBondContact O-CA 3.42Å; T176-V233 PolarHBondContact O-N 3.3Å
177Y93.8Very high92.6Very high132 Ų13254.4 Ų54.452%0.51828%0.279SS..EExtended strand (participates in β ladder)trans-75.5131.2176.1179-126.1000111.6P179 V233 T235Y177-P179 HydrophobicContact CD1-CB 4.35Å; Y177-P179 HydrophobicContact CD1-CG 4.35Å; Y177-P179 HydrophobicContact CE1-CB 3.64Å; Y177-P179 HydrophobicContact CE1-CG 4.09Å; Y177-P179 WeakPolarHBondContact O-CD 3.47Å; Y177-V233 HydrophobicContact CD2-CG1 4.3Å; Y177-T235 HydrophobicContact CD2-CG2 4.38Å; Y177-T235 HydrophobicContact CE2-CG2 3.72Å; Y177-T235 WeakPolarHBondContact CE2-OG1 3.47Å; Y177-T235 PolarHBondContact OH-OG1 3.2Å
178L93.9Very high92.2Very high6 Ų655.3 Ų55.33%0.03128%0.283CS..  trans-120.185.4-175.3-59.3177000110.6T176 H183 L184 F187 V196 V233 V234T176-L178 HydrophobicContact CG2-CD2 4.14Å; L178-H183 HydrophobicContact CD2-CB 4.28Å; L178-L184 HydrophobicContact CD1-CD1 3.82Å; L178-F187 HydrophobicContact CD1-CB 4.22Å; L178-F187 HydrophobicContact CD1-CD1 3.97Å; L178-F187 HydrophobicContact CD1-CE1 4.47Å; L178-F187 HydrophobicContact CD1-CG 3.99Å; L178-F187 HydrophobicContact CD2-CB 3.77Å; L178-F187 HydrophobicContact CD2-CD2 4.14Å; L178-F187 HydrophobicContact CD2-CG 4.01Å; L178-V196 HydrophobicContact CD1-CG1 4.48Å; L178-V196 HydrophobicContact CD1-CG2 4.43Å; L178-V233 PolarHBondContact N-O 2.69Å; L178-V234 HydrophobicContact CB-CG2 3.9Å; L178-V234 HydrophobicContact CD1-CG2 4.22Å
179P92.6Very high91.4Very high50 Ų5059.7 Ų59.733%0.32531%0.31SS..  trans-76.7-26.2-172.326.3-33.3000114.6Y177Y177-P179 HydrophobicContact CD1-CB 4.35Å; Y177-P179 HydrophobicContact CD1-CG 4.35Å; Y177-P179 HydrophobicContact CE1-CB 3.64Å; Y177-P179 HydrophobicContact CE1-CG 4.09Å; Y177-P179 WeakPolarHBondContact O-CD 3.47Å
180T94.3Very high90.5Very high62 Ų6261.3 Ų61.338%0.3831%0.314SS..SBendtrans-133.1161.1-173.976.40000112.4A182 H183 L184T180-A182 PolarHBondContact O-N 2.78Å; T180-H183 PolarHBondContact O-N 3.4Å; T180-H183 VanDerWaalsContact O-N 3.1Å; T180-H183 PolarHBondContact OG1-N 3.4Å; T180-H183 PolarHBondContact OG1-ND1 2.78Å; T180-L184 PolarHBondContact O-N 3.11Å
181R92.6Very high89.6Confident145 Ų14561.7 Ų61.755%0.54732%0.318SS..Hα-helixtrans-57.2-34.5176.6-67.8-176.8177.4-179.2-1112.8L184 K185 H238 V239 A242R181-L184 PolarHBondContact O-N 2.94Å; R181-K185 WeakPolarHBondContact O-CB 3.4Å; R181-K185 PolarHBondContact O-N 2.77Å; R181-H238 PolarHBondContact NE-O 2.99Å; R181-H238 PolarHBondContact NH2-O 3.26Å; R181-V239 HydrophobicContact CG-CG2 4.41Å; R181-A242 HydrophobicContact CG-CB 4.22Å
182A91.1Very high88.3Confident71 Ų7163.4 Ų63.459%0.58733%0.326SS*.Hα-helixtrans-66.1-43.2176.300000112.1T180 K185 N186T180-A182 PolarHBondContact O-N 2.78Å; A182-K185 PolarHBondContact O-N 3.01Å; A182-N186 WeakPolarHBondContact O-CB 3.47Å; A182-N186 PolarHBondContact O-N 2.98Å
183H91.9Very high87.5Confident97 Ų9762.2 Ų62.245%0.44932%0.32SS..Hα-helixtrans-64.1-42.5175.9-70.290.3000111.6L178 T180 N186 F187L178-H183 HydrophobicContact CD2-CB 4.28Å; T180-H183 PolarHBondContact O-N 3.4Å; T180-H183 VanDerWaalsContact O-N 3.1Å; T180-H183 PolarHBondContact OG1-N 3.4Å; T180-H183 PolarHBondContact OG1-ND1 2.78Å; H183-N186 PolarHBondContact O-N 3.08Å; H183-F187 VanDerWaalsContact O-CB 3.28Å; H183-F187 WeakPolarHBondContact O-CB 3.35Å; H183-F187 PolarHBondContact O-N 2.88Å
184L90.8Very high87.3Confident3 Ų357.9 Ų57.92%0.01629%0.293CS..Hα-helixtrans-60.6-49.1175.2177.960.8000111.4L178 T180 R181 N186 F187 L188 V196 V234 V239 A242 V243L178-L184 HydrophobicContact CD1-CD1 3.82Å; T180-L184 PolarHBondContact O-N 3.11Å; R181-L184 PolarHBondContact O-N 2.94Å; L184-N186 PolarHBondContact O-N 2.88Å; L184-F187 PolarHBondContact O-N 3.41Å; L184-L188 HydrophobicContact CD1-CD1 4.03Å; L184-L188 HydrophobicContact CD1-CG 4.21Å; L184-L188 HydrophobicContact CG-CD1 4.15Å; L184-L188 VanDerWaalsContact O-CG 3.28Å; L184-L188 WeakPolarHBondContact O-CG 3.11Å; L184-L188 PolarHBondContact O-N 3.5Å; L184-V196 HydrophobicContact CD1-CG1 4.05Å; L184-V196 HydrophobicContact CD1-CG2 3.91Å; L184-V234 HydrophobicContact CD1-CG2 4.3Å; L184-V239 HydrophobicContact CB-CG1 4.17Å; L184-V239 HydrophobicContact CD2-CG1 3.92Å; L184-V239 WeakPolarHBondContact CD2-O 3.36Å; L184-A242 HydrophobicContact CD2-CB 4.34Å; L184-V243 HydrophobicContact CD1-CG1 4.43Å; L184-V243 HydrophobicContact CD2-CG1 3.82Å; L184-V243 HydrophobicContact CD2-CG2 4.05Å; L184-V243 HydrophobicContact CG-CG1 4.27Å
185K88.6Confident87.3Confident151 Ų15157.1 Ų57.166%0.65729%0.288SS*.Hα-helixtrans-58.8-47.7177.4-173.8177.7178.9-179.20111.4R181 A182 F187 L188 T189R181-K185 WeakPolarHBondContact O-CB 3.4Å; R181-K185 PolarHBondContact O-N 2.77Å; A182-K185 PolarHBondContact O-N 3.01Å; K185-F187 VanDerWaalsContact C-N 3.35Å; K185-F187 PolarHBondContact O-N 2.86Å; K185-L188 PolarHBondContact O-N 3.22Å; K185-T189 HydrophobicContact CG-CG2 4.48Å; K185-T189 WeakPolarHBondContact O-CG2 3.34Å; K185-T189 PolarHBondContact O-N 2.99Å; K185-T189 PolarHBondContact O-OG1 3.45Å
186N87.9Confident87.3Confident99 Ų9956 Ų5653%0.52928%0.282SS..Hα-helixtrans-60.3-43.8178.5-172.411.3000111.9A182 H183 L184 L188 T189 K190A182-N186 WeakPolarHBondContact O-CB 3.47Å; A182-N186 PolarHBondContact O-N 2.98Å; H183-N186 PolarHBondContact O-N 3.08Å; L184-N186 PolarHBondContact O-N 2.88Å; N186-L188 PolarHBondContact O-N 2.89Å; N186-T189 WeakPolarHBondContact CA-OG1 3.37Å; N186-T189 PolarHBondContact O-N 3.41Å; N186-T189 PolarHBondContact O-OG1 3.43Å; N186-K190 WeakPolarHBondContact O-CB 2.92Å; N186-K190 PolarHBondContact O-N 3.3Å
187F88.7Confident87.4Confident10 Ų1053 Ų534%0.04426%0.264CS..Hα-helixtrans-58.6-45.9176.7177.9-94.2000111.9T176 L178 H183 L184 K185 H191 V196 R230T176-F187 HydrophobicContact CG2-CD2 4.41Å; L178-F187 HydrophobicContact CD1-CB 4.22Å; L178-F187 HydrophobicContact CD1-CD1 3.97Å; L178-F187 HydrophobicContact CD1-CE1 4.47Å; L178-F187 HydrophobicContact CD1-CG 3.99Å; L178-F187 HydrophobicContact CD2-CB 3.77Å; L178-F187 HydrophobicContact CD2-CD2 4.14Å; L178-F187 HydrophobicContact CD2-CG 4.01Å; H183-F187 VanDerWaalsContact O-CB 3.28Å; H183-F187 WeakPolarHBondContact O-CB 3.35Å; H183-F187 PolarHBondContact O-N 2.88Å; L184-F187 PolarHBondContact O-N 3.41Å; K185-F187 VanDerWaalsContact C-N 3.35Å; K185-F187 PolarHBondContact O-N 2.86Å; F187-H191 AromaticContact CD2-CD2 3.66Å; F187-H191 AromaticContact CE2-CD2 3.76Å; F187-H191 WeakPolarHBondContact O-CB 3.23Å; F187-H191 PolarHBondContact O-CD2 3.12Å; F187-H191 PolarHBondContact O-N 3.07Å; F187-H191 VanDerWaalsContact O-N 3.13Å; F187-V196 HydrophobicContact CD1-CG2 4.16Å; F187-V196 HydrophobicContact CE1-CG2 3.94Å; F187-R230 HydrophobicContact CE2-CB 3.92Å; F187-R230 HydrophobicContact CZ-CB 3.77Å
188L86.6Confident87.3Confident21 Ų2146.7 Ų46.711%0.1124%0.239CC..Hα-helixtrans-70.7-36.1179.5-62.6174.3000113L184 K185 N186 V196 V243 Y252 H254L184-L188 HydrophobicContact CD1-CD1 4.03Å; L184-L188 HydrophobicContact CD1-CG 4.21Å; L184-L188 HydrophobicContact CG-CD1 4.15Å; L184-L188 VanDerWaalsContact O-CG 3.28Å; L184-L188 WeakPolarHBondContact O-CG 3.11Å; L184-L188 PolarHBondContact O-N 3.5Å; K185-L188 PolarHBondContact O-N 3.22Å; N186-L188 PolarHBondContact O-N 2.89Å; L188-V196 HydrophobicContact CD2-CG2 3.95Å; L188-V243 HydrophobicContact CD1-CG1 3.69Å; L188-Y252 HydrophobicContact CD2-CE1 4.15Å; L188-H254 HydrophobicContact CD2-CB 3.69Å
189T80.3Confident87.2Confident92 Ų9246.4 Ų46.456%0.56424%0.238SC*.Hα-helixtrans-71.4-33.5176.747.70000112.6K185 N186K185-T189 HydrophobicContact CG-CG2 4.48Å; K185-T189 WeakPolarHBondContact O-CG2 3.34Å; K185-T189 PolarHBondContact O-N 2.99Å; K185-T189 PolarHBondContact O-OG1 3.45Å; N186-T189 WeakPolarHBondContact CA-OG1 3.37Å; N186-T189 PolarHBondContact O-N 3.41Å; N186-T189 PolarHBondContact O-OG1 3.43Å
190K75.4Confident87Confident94 Ų9446.5 Ų46.541%0.40923%0.234SC..Hα-helixtrans-81.2-32.4-175.2-175.4-179.8178.5-177.10112.8N186 K321N186-K190 WeakPolarHBondContact O-CB 2.92Å; N186-K190 PolarHBondContact O-N 3.3Å; K190-K321 WeakPolarHBondContact CE-O 3.21Å; K190-K321 PolarHBondContact NZ-O 3.33Å
191H71.9Confident86.5Confident42 Ų4247.5 Ų47.519%0.19423%0.233CC..  trans-112.1117.2-175.2-61.9-58000110.3F187 S193 R230F187-H191 AromaticContact CD2-CD2 3.66Å; F187-H191 AromaticContact CE2-CD2 3.76Å; F187-H191 WeakPolarHBondContact O-CB 3.23Å; F187-H191 PolarHBondContact O-CD2 3.12Å; F187-H191 PolarHBondContact O-N 3.07Å; F187-H191 VanDerWaalsContact O-N 3.13Å; H191-S193 PolarHBondContact O-N 2.88Å; H191-R230 HydrophobicContact CB-CB 4.42Å; H191-R230 HydrophobicContact CB-CG 4.35Å
192E67Low85.7Confident35 Ų3546.5 Ų46.516%0.16424%0.239CC..THydrogen-bonded Turntrans-56.5-38.3-179.1-64-176.1177.800112.5A330E192-A330 WeakPolarHBondContact OE1-CB 3.44Å
193S77.3Confident84.5Confident2 Ų247.8 Ų47.81%0.01424%0.243CC..EExtended strand (participates in β ladder)trans-121.874.8178.7-70.50000111H191 V229 R230H191-S193 PolarHBondContact O-N 2.88Å; S193-V229 WeakPolarHBondContact O-CA 3.46Å; S193-R230 PolarHBondContact O-N 3.01Å; S193-R230 VanDerWaalsContact O-N 3.16Å
194G88.4Confident83.6Confident0 Ų048.8 Ų48.80%026%0.261CS..EExtended strand (participates in β ladder)trans-84.2123.317400000112.5H254G194-H254 VanDerWaalsContact O-CB 3.24Å; G194-H254 WeakPolarHBondContact O-CB 3.47Å; G194-H254 PolarHBondContact O-N 3.48Å
195V93.1Very high82.7Confident0 Ų054 Ų540%030%0.295CS..EExtended strand (participates in β ladder)trans-100.8119.6171.4-175.60000108.2Y213 V229 R230 F231 G232 V251 Y252 L253 V279V195-Y213 HydrophobicContact CG1-CE2 4.05Å; V195-Y213 PolarHBondContact O-OH 2.94Å; V195-V229 HydrophobicContact CG2-CG1 3.63Å; V195-R230 PolarHBondContact N-O 2.82Å; V195-F231 HydrophobicContact CB-CD1 4.1Å; V195-F231 HydrophobicContact CB-CD2 4.44Å; V195-F231 HydrophobicContact CB-CE1 4.12Å; V195-F231 HydrophobicContact CB-CE2 4.46Å; V195-F231 HydrophobicContact CB-CG 4.24Å; V195-F231 HydrophobicContact CB-CZ 4.3Å; V195-F231 HydrophobicContact CG1-CD1 3.97Å; V195-F231 HydrophobicContact CG1-CE1 3.78Å; V195-F231 HydrophobicContact CG1-CZ 4.29Å; V195-F231 HydrophobicContact CG2-CE1 4.49Å; V195-F231 HydrophobicContact CG2-CE2 4.3Å; V195-F231 HydrophobicContact CG2-CZ 4.21Å; V195-F231 CarbonylContact O-C 3.45Å; V195-F231 WeakPolarHBondContact O-CA 3.38Å; V195-G232 PolarHBondContact O-N 3.13Å; V195-V251 HydrophobicContact CG1-CG1 3.48Å; V195-V251 VanDerWaalsContact CG1-CG1 3.48Å; V195-Y252 CarbonylContact C-O 3.28Å; V195-Y252 VanDerWaalsContact CA-O 3.25Å; V195-Y252 WeakPolarHBondContact CA-O 3.42Å; V195-L253 HydrophobicContact CG2-CD1 3.78Å; V195-V279 HydrophobicContact CG2-CG1 4.06Å; V195-V279 HydrophobicContact CG2-CG2 3.86Å
196V94.6Very high82.1Confident0 Ų052 Ų520%029%0.288CS..EExtended strand (participates in β ladder)trans-114.2120.7-178.4-177.90000109.7L178 L184 F187 L188 G232 V234 Y252L178-V196 HydrophobicContact CD1-CG1 4.48Å; L178-V196 HydrophobicContact CD1-CG2 4.43Å; L184-V196 HydrophobicContact CD1-CG1 4.05Å; L184-V196 HydrophobicContact CD1-CG2 3.91Å; F187-V196 HydrophobicContact CD1-CG2 4.16Å; F187-V196 HydrophobicContact CE1-CG2 3.94Å; L188-V196 HydrophobicContact CD2-CG2 3.95Å; V196-G232 CarbonylContact C-O 3.46Å; V196-G232 WeakPolarHBondContact CA-O 3.41Å; V196-V234 HydrophobicContact CG1-CB 4.48Å; V196-V234 HydrophobicContact CG1-CG2 3.63Å; V196-Y252 HydrophobicContact CB-CD1 4.07Å; V196-Y252 HydrophobicContact CG2-CD1 4.24Å; V196-Y252 PolarHBondContact N-O 3.36Å; V196-Y252 WeakPolarHBondContact O-CB 3.47Å; V196-Y252 PolarHBondContact O-N 3.36Å
197G94Very high81.8Confident0 Ų048 Ų480%027%0.267CS..EExtended strand (participates in β ladder)trans-98.5134.8171.800000111.1Y213 G232 V233 V234 T250G197-Y213 PolarHBondContact N-OH 2.96Å; G197-Y213 VanDerWaalsContact N-OH 3.08Å; G197-G232 PolarHBondContact N-O 2.98Å; G197-V233 WeakPolarHBondContact O-CA 3.46Å; G197-V234 PolarHBondContact O-N 3.46Å; G197-T250 WeakPolarHBondContact CA-O 3.49Å
198F93.2Very high81.4Confident0 Ų052.4 Ų52.40%030%0.297CS..EExtended strand (participates in β ladder)trans-104.4121.5171.2173.9-132.3000109.8Q200 V234 K237 A240 L245 E247 E249 T250F198-Q200 HydrophobicContact CE1-CG 4.29Å; F198-Q200 HydrophobicContact CE2-CG 3.86Å; F198-Q200 HydrophobicContact CZ-CG 3.51Å; F198-V234 WeakPolarHBondContact CA-O 3.11Å; F198-V234 HydrophobicContact CD2-CG1 4.27Å; F198-V234 WeakPolarHBondContact CD2-O 3.47Å; F198-K237 HydrophobicContact CE2-CB 4.48Å; F198-K237 HydrophobicContact CZ-CB 3.87Å; F198-K237 HydrophobicContact CZ-CG 4.23Å; F198-A240 HydrophobicContact CB-CB 4.12Å; F198-A240 HydrophobicContact CD1-CB 3.9Å; F198-A240 HydrophobicContact CD2-CB 3.54Å; F198-A240 HydrophobicContact CE1-CB 4.22Å; F198-A240 HydrophobicContact CE2-CB 3.89Å; F198-A240 HydrophobicContact CG-CB 3.57Å; F198-A240 HydrophobicContact CZ-CB 4.21Å; F198-L245 HydrophobicContact CB-CD1 4.04Å; F198-E247 VanDerWaalsContact CD1-O 3.23Å; F198-E247 WeakPolarHBondContact CD1-O 3.37Å; F198-E249 WeakPolarHBondContact O-CA 3.35Å; F198-E249 PolarHBondContact O-N 2.66Å; F198-T250 PolarHBondContact N-O 3.48Å; F198-T250 PolarHBondContact O-N 2.87Å
199F91.7Very high81.4Confident0 Ų051.5 Ų51.50%029%0.293CS..  trans-139.2120.5-179.4-62.7-82.5000110.6F201 P207 G209 Y210 Y213 V233 V234 T235 D248 E249 F270F199-F201 HydrophobicContact CB-CE2 3.95Å; F199-F201 WeakPolarHBondContact O-CD2 3.29Å; F199-P207 HydrophobicContact CB-CG 4.22Å; F199-P207 HydrophobicContact CD1-CG 4.44Å; F199-G209 VanDerWaalsContact CE1-C 3.45Å; F199-Y210 HydrophobicContact CD2-CD2 4.06Å; F199-Y210 HydrophobicContact CG-CD2 4.25Å; F199-Y213 HydrophobicContact CD2-CD1 4.45Å; F199-Y213 AromaticContact CE2-CD1 3.53Å; F199-Y213 HydrophobicContact CE2-CD1 3.53Å; F199-Y213 HydrophobicContact CE2-CD2 4.23Å; F199-Y213 HydrophobicContact CE2-CE1 4.11Å; F199-Y213 AromaticContact CE2-CG 3.59Å; F199-Y213 HydrophobicContact CE2-CG 3.59Å; F199-Y213 HydrophobicContact CZ-CD1 4.17Å; F199-Y213 HydrophobicContact CZ-CD2 4.28Å; F199-Y213 AromaticContact CZ-CG 3.76Å; F199-Y213 HydrophobicContact CZ-CG 3.76Å; F199-V233 HydrophobicContact CD2-CG2 3.97Å; F199-V234 PolarHBondContact N-O 3.32Å; F199-T235 WeakPolarHBondContact O-CA 3.23Å; F199-D248 VanDerWaalsContact CA-OD1 3.23Å; F199-D248 WeakPolarHBondContact CA-OD1 3.36Å; F199-E249 HydrophobicContact CD1-CB 4.09Å; F199-E249 HydrophobicContact CD1-CG 3.98Å; F199-E249 HydrophobicContact CE1-CB 3.84Å; F199-E249 HydrophobicContact CE1-CG 4.11Å; F199-F270 HydrophobicContact CZ-CZ 4.42Å
200Q88.1Confident81.9Confident52 Ų5249.2 Ų49.224%0.24327%0.274CS..  trans-84.6124.7176.4-64.3-176.530.500111F198 N202 D248F198-Q200 HydrophobicContact CE1-CG 4.29Å; F198-Q200 HydrophobicContact CE2-CG 3.86Å; F198-Q200 HydrophobicContact CZ-CG 3.51Å; Q200-N202 PolarHBondContact O-N 3.28Å; Q200-N202 PolarHBondContact OE1-ND2 2.92Å; Q200-D248 PolarHBondContact N-OD1 3.12Å
201F83.1Confident82.6Confident83 Ų8348.3 Ų48.336%0.36427%0.274SS..  trans-100.466.8176.7-70.5-97.4000109.6F199 Q206 P207 Y210 T235F199-F201 HydrophobicContact CB-CE2 3.95Å; F199-F201 WeakPolarHBondContact O-CD2 3.29Å; F201-Q206 HydrophobicContact CE1-CB 4.3Å; F201-Q206 HydrophobicContact CE1-CG 4.13Å; F201-P207 HydrophobicContact CE1-CG 4.31Å; F201-P207 HydrophobicContact CZ-CG 4.39Å; F201-Y210 HydrophobicContact CE1-CD1 4.45Å; F201-Y210 HydrophobicContact CE1-CG 4.47Å; F201-Y210 HydrophobicContact CE2-CD2 4.36Å; F201-Y210 HydrophobicContact CZ-CD1 4.09Å; F201-Y210 AromaticContact CZ-CD2 3.73Å; F201-Y210 HydrophobicContact CZ-CD2 3.73Å; F201-Y210 HydrophobicContact CZ-CE1 4.28Å; F201-Y210 AromaticContact CZ-CE2 3.93Å; F201-Y210 HydrophobicContact CZ-CE2 3.93Å; F201-Y210 AromaticContact CZ-CG 3.81Å; F201-Y210 HydrophobicContact CZ-CG 3.81Å; F201-T235 HydrophobicContact CD2-CG2 3.56Å; F201-T235 HydrophobicContact CE2-CG2 3.67Å
202N76.4Confident83.5Confident125 Ų12548.2 Ų48.267%0.66828%0.276SS*.  trans-82-19.7-176-63.3-16000112.6Q200Q200-N202 PolarHBondContact O-N 3.28Å; Q200-N202 PolarHBondContact OE1-ND2 2.92Å
203S64.6Low84.8Confident97 Ų9746.5 Ų46.568%0.67827%0.268SS*.SBendtrans-161.5161178.727.40000111.5P205S203-P205 VanDerWaalsContact O-O 3.11Å
204S73.4Confident85.6Confident119 Ų11947.3 Ų47.383%0.83227%0.272SS*.SBendtrans-86.8137.5170.1-174.30000109
205P72.4Confident85.9Confident112 Ų11248.7 Ų48.773%0.72728%0.282SS*.SBendcis-79.8166.610.432-35.8000114.8S203S203-P205 VanDerWaalsContact O-O 3.11Å
206Q76.6Confident85.9Confident108 Ų10848.7 Ų48.751%0.50528%0.282SS..PPolyproline II helixtrans-53.8142.9175.2-63.2177.1-2.400111F201F201-Q206 HydrophobicContact CE1-CB 4.3Å; F201-Q206 HydrophobicContact CE1-CG 4.13Å
207P79.9Confident85.9Confident15 Ų1548.9 Ų48.910%0.09728%0.283CS..PPolyproline II helixtrans-57.6132.3179.318.5-27000109.8F199 F201 G209 Y210F199-P207 HydrophobicContact CB-CG 4.22Å; F199-P207 HydrophobicContact CD1-CG 4.44Å; F201-P207 HydrophobicContact CE1-CG 4.31Å; F201-P207 HydrophobicContact CZ-CG 4.39Å; P207-G209 PolarHBondContact O-N 2.98Å; P207-G209 VanDerWaalsContact O-N 3.14Å; P207-Y210 VanDerWaalsContact O-CB 3.27Å; P207-Y210 WeakPolarHBondContact O-CB 3.23Å; P207-Y210 PolarHBondContact O-N 3.27Å
208P80.3Confident85.9Confident103 Ų10349 Ų4967%0.66928%0.283SS*.Hα-helixtrans-59.7-30.4-174.423.7-33.2000111.8Y210P208-Y210 PolarHBondContact O-N 3.38Å
209G87.2Confident85.9Confident3 Ų350.5 Ų50.53%0.03129%0.291CS..Hα-helixtrans-61.4-29.3173.300000114.1F199 P207 T212 Y213 E249 F270F199-G209 VanDerWaalsContact CE1-C 3.45Å; P207-G209 PolarHBondContact O-N 2.98Å; P207-G209 VanDerWaalsContact O-N 3.14Å; G209-T212 PolarHBondContact O-N 3.02Å; G209-Y213 WeakPolarHBondContact O-CB 3.47Å; G209-Y213 PolarHBondContact O-N 3.45Å; G209-E249 PolarHBondContact N-OE1 3.27Å; G209-F270 WeakPolarHBondContact O-CE1 3.36Å
210Y90.9Very high86Confident43 Ų4350.6 Ų50.617%0.16929%0.291CS..Hα-helixtrans-67.9-41.4-177.8177.1-102.5000112.7L175 F199 F201 P207 P208 T212 Y213 L214 V233L175-Y210 HydrophobicContact CD1-CE2 3.71Å; F199-Y210 HydrophobicContact CD2-CD2 4.06Å; F199-Y210 HydrophobicContact CG-CD2 4.25Å; F201-Y210 HydrophobicContact CE1-CD1 4.45Å; F201-Y210 HydrophobicContact CE1-CG 4.47Å; F201-Y210 HydrophobicContact CE2-CD2 4.36Å; F201-Y210 HydrophobicContact CZ-CD1 4.09Å; F201-Y210 AromaticContact CZ-CD2 3.73Å; F201-Y210 HydrophobicContact CZ-CD2 3.73Å; F201-Y210 HydrophobicContact CZ-CE1 4.28Å; F201-Y210 AromaticContact CZ-CE2 3.93Å; F201-Y210 HydrophobicContact CZ-CE2 3.93Å; F201-Y210 AromaticContact CZ-CG 3.81Å; F201-Y210 HydrophobicContact CZ-CG 3.81Å; P207-Y210 VanDerWaalsContact O-CB 3.27Å; P207-Y210 WeakPolarHBondContact O-CB 3.23Å; P207-Y210 PolarHBondContact O-N 3.27Å; P208-Y210 PolarHBondContact O-N 3.38Å; Y210-T212 VanDerWaalsContact C-N 3.33Å; Y210-T212 PolarHBondContact O-N 3.49Å; Y210-Y213 PolarHBondContact O-N 3.29Å; Y210-L214 WeakPolarHBondContact O-CB 3.4Å; Y210-L214 PolarHBondContact O-N 3.29Å; Y210-V233 HydrophobicContact CD2-CG2 4.4Å; Y210-V233 HydrophobicContact CE2-CB 4.5Å; Y210-V233 HydrophobicContact CE2-CG1 4.49Å; Y210-V233 HydrophobicContact CE2-CG2 4.05Å
211I89.7Confident86.2Confident76 Ų7648.6 Ų48.639%0.3928%0.282SS..Hα-helixtrans-65.6-39.2177.9-62.7-60.6000111.1Y213 L214 S215I211-Y213 VanDerWaalsContact C-N 3.33Å; I211-L214 PolarHBondContact O-N 2.94Å; I211-S215 WeakPolarHBondContact O-CB 3.42Å; I211-S215 PolarHBondContact O-N 3.43Å; I211-S215 PolarHBondContact O-OG 3.43Å
212T92.3Very high86.5Confident39 Ų3951.5 Ų51.524%0.23929%0.291CS..Hα-helixtrans-64.9-38.6174.7-59.60000111.4G209 Y210 S215 S216 F270G209-T212 PolarHBondContact O-N 3.02Å; Y210-T212 VanDerWaalsContact C-N 3.33Å; Y210-T212 PolarHBondContact O-N 3.49Å; T212-S215 PolarHBondContact O-N 3.4Å; T212-S216 PolarHBondContact O-N 3.35Å; T212-F270 HydrophobicContact CG2-CD1 3.85Å; T212-F270 HydrophobicContact CG2-CE1 3.83Å
213Y94.3Very high87.1Confident0 Ų053.2 Ų53.20%029%0.288CS..Hα-helixtrans-68.8-39.3175.6-176.5-107.5000113.1L175 V195 G197 F199 G209 Y210 I211 S215 S216 A217 F231 G232 V251L175-Y213 HydrophobicContact CD1-CD1 4.12Å; L175-Y213 HydrophobicContact CD1-CE1 4.42Å; L175-Y213 HydrophobicContact CD2-CD1 3.93Å; L175-Y213 HydrophobicContact CD2-CE1 3.67Å; V195-Y213 HydrophobicContact CG1-CE2 4.05Å; V195-Y213 PolarHBondContact O-OH 2.94Å; G197-Y213 PolarHBondContact N-OH 2.96Å; G197-Y213 VanDerWaalsContact N-OH 3.08Å; F199-Y213 HydrophobicContact CD2-CD1 4.45Å; F199-Y213 AromaticContact CE2-CD1 3.53Å; F199-Y213 HydrophobicContact CE2-CD1 3.53Å; F199-Y213 HydrophobicContact CE2-CD2 4.23Å; F199-Y213 HydrophobicContact CE2-CE1 4.11Å; F199-Y213 AromaticContact CE2-CG 3.59Å; F199-Y213 HydrophobicContact CE2-CG 3.59Å; F199-Y213 HydrophobicContact CZ-CD1 4.17Å; F199-Y213 HydrophobicContact CZ-CD2 4.28Å; F199-Y213 AromaticContact CZ-CG 3.76Å; F199-Y213 HydrophobicContact CZ-CG 3.76Å; G209-Y213 WeakPolarHBondContact O-CB 3.47Å; G209-Y213 PolarHBondContact O-N 3.45Å; Y210-Y213 PolarHBondContact O-N 3.29Å; I211-Y213 VanDerWaalsContact C-N 3.33Å; Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 2.93Å; Y213-S216 PolarHBondContact O-N 2.96Å; Y213-S216 PolarHBondContact O-OG 2.91Å; Y213-A217 PolarHBondContact O-N 3.33Å; Y213-A217 VanDerWaalsContact O-N 3.13Å; Y213-F231 HydrophobicContact CD2-CD1 4.26Å; Y213-F231 HydrophobicContact CD2-CE1 4.41Å; Y213-F231 HydrophobicContact CE1-CD1 4.17Å; Y213-F231 AromaticContact CE2-CD1 3.53Å; Y213-F231 HydrophobicContact CE2-CD1 3.53Å; Y213-F231 AromaticContact CE2-CE1 3.86Å; Y213-F231 HydrophobicContact CE2-CE1 3.86Å; Y213-F231 AromaticContact CZ-CD1 3.47Å; Y213-F231 VanDerWaalsContact CZ-CD1 3.47Å; Y213-F231 WeakPolarHBondContact OH-CD1 3.27Å; Y213-G232 PolarHBondContact OH-O 3.36Å; Y213-V251 HydrophobicContact CD2-CG1 4.47Å; Y213-V251 HydrophobicContact CD2-CG2 3.67Å; Y213-V251 HydrophobicContact CE2-CB 4.49Å; Y213-V251 HydrophobicContact CE2-CG1 3.89Å; Y213-V251 HydrophobicContact CE2-CG2 3.8Å
214L93.5Very high88.1Confident18 Ų1849.6 Ų49.69%0.09426%0.261CS..Hα-helixtrans-60.4-44170.3175.263000111.2Y147 P174 L175 Y210 I211 S216 A217 L218Y147-L214 HydrophobicContact CE1-CD2 4.25Å; P174-L214 HydrophobicContact CB-CD1 4.39Å; P174-L214 HydrophobicContact CG-CD1 3.39Å; L175-L214 HydrophobicContact CD1-CB 3.98Å; L175-L214 HydrophobicContact CD1-CD1 3.78Å; L175-L214 HydrophobicContact CD1-CG 4.49Å; L175-L214 HydrophobicContact CG-CD1 3.77Å; Y210-L214 WeakPolarHBondContact O-CB 3.4Å; Y210-L214 PolarHBondContact O-N 3.29Å; I211-L214 PolarHBondContact O-N 2.94Å; L214-S216 VanDerWaalsContact C-N 3.32Å; L214-S216 PolarHBondContact O-N 3.49Å; L214-A217 WeakPolarHBondContact O-CB 3.45Å; L214-A217 PolarHBondContact O-N 3.42Å; L214-L218 PolarHBondContact O-N 3.37Å
215S93.6Very high88.7Confident30 Ų3045.6 Ų45.621%0.2123%0.229CC..Hα-helixtrans-66.3-33.6178.3-58.10000112.1I211 T212 Y213 L218 Q219I211-S215 WeakPolarHBondContact O-CB 3.42Å; I211-S215 PolarHBondContact O-N 3.43Å; I211-S215 PolarHBondContact O-OG 3.43Å; T212-S215 PolarHBondContact O-N 3.4Å; Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 2.93Å; S215-L218 PolarHBondContact O-N 2.95Å; S215-Q219 WeakPolarHBondContact O-CG 3.41Å; S215-Q219 PolarHBondContact O-N 3.4Å
216S94.6Very high89.1Confident0 Ų042.5 Ų42.50%020%0.204CC..Hα-helixtrans-67.2-40.5174.869.80000111.7T212 Y213 L214 L218 Q219 T220 F231T212-S216 PolarHBondContact O-N 3.35Å; Y213-S216 PolarHBondContact O-N 2.96Å; Y213-S216 PolarHBondContact O-OG 2.91Å; L214-S216 VanDerWaalsContact C-N 3.32Å; L214-S216 PolarHBondContact O-N 3.49Å; S216-L218 VanDerWaalsContact C-N 3.34Å; S216-L218 PolarHBondContact O-N 3.48Å; S216-Q219 PolarHBondContact O-N 2.86Å; S216-Q219 VanDerWaalsContact O-N 3.17Å; S216-T220 PolarHBondContact O-N 3.33Å; S216-T220 PolarHBondContact O-OG1 3.27Å; S216-T220 VanDerWaalsContact O-OG1 3.11Å; S216-F231 WeakPolarHBondContact OG-CE1 3.4Å
217A94.3Very high89.3Confident3 Ų337.6 Ų37.63%0.02518%0.182CC..Hα-helixtrans-58.8-43.9174.100000112.3P174 L175 Y213 L214 T220 L221 F231P174-A217 HydrophobicContact CB-CB 4.17Å; L175-A217 HydrophobicContact CD2-CB 3.68Å; Y213-A217 PolarHBondContact O-N 3.33Å; Y213-A217 VanDerWaalsContact O-N 3.13Å; L214-A217 WeakPolarHBondContact O-CB 3.45Å; L214-A217 PolarHBondContact O-N 3.42Å; A217-T220 WeakPolarHBondContact O-CB 3.37Å; A217-T220 PolarHBondContact O-N 2.82Å; A217-L221 PolarHBondContact O-N 2.99Å; A217-L221 VanDerWaalsContact O-N 3.16Å; A217-F231 HydrophobicContact CB-CB 3.81Å; A217-F231 HydrophobicContact CB-CD1 3.77Å; A217-F231 HydrophobicContact CB-CD2 3.8Å; A217-F231 HydrophobicContact CB-CE1 4.31Å; A217-F231 HydrophobicContact CB-CE2 4.32Å; A217-F231 HydrophobicContact CB-CG 3.51Å
218L94.1Very high89.4Confident2 Ų239 Ų391%0.0119%0.19CC..Hα-helixtrans-67.7-36.2175.6-67.3168.2000112.5Y147 F150 I153 V171 P174 L214 S215 S216 T220 L221 R222Y147-L218 HydrophobicContact CD1-CD1 3.68Å; Y147-L218 HydrophobicContact CD2-CD2 4.46Å; Y147-L218 HydrophobicContact CE1-CD1 4.41Å; Y147-L218 HydrophobicContact CG-CD1 3.85Å; Y147-L218 HydrophobicContact CG-CD2 4.2Å; F150-L218 HydrophobicContact CB-CD1 4.29Å; F150-L218 HydrophobicContact CD1-CB 3.71Å; F150-L218 HydrophobicContact CD1-CD1 3.97Å; F150-L218 HydrophobicContact CD1-CG 4.4Å; F150-L218 HydrophobicContact CE1-CB 3.41Å; F150-L218 VanDerWaalsContact CE1-CB 3.41Å; F150-L218 HydrophobicContact CE2-CB 4.4Å; F150-L218 HydrophobicContact CG-CB 4.34Å; F150-L218 HydrophobicContact CG-CD1 4.05Å; F150-L218 HydrophobicContact CZ-CB 3.79Å; I153-L218 HydrophobicContact CD1-CB 4.24Å; I153-L218 HydrophobicContact CD1-CD2 3.94Å; V171-L218 HydrophobicContact CG1-CD2 4.4Å; P174-L218 HydrophobicContact CB-CD2 3.84Å; P174-L218 HydrophobicContact CB-CG 4.18Å; P174-L218 HydrophobicContact CG-CD2 3.97Å; P174-L218 HydrophobicContact CG-CG 4.24Å; L214-L218 PolarHBondContact O-N 3.37Å; S215-L218 PolarHBondContact O-N 2.95Å; S216-L218 VanDerWaalsContact C-N 3.34Å; S216-L218 PolarHBondContact O-N 3.48Å; L218-T220 VanDerWaalsContact C-N 3.33Å; L218-L221 PolarHBondContact O-N 3.48Å; L218-R222 PolarHBondContact O-N 2.9Å
219Q93.8Very high89.8Confident33 Ų3334.3 Ų34.315%0.15416%0.16CC..Hα-helixtrans-65.2-36.1172.4-78.8-165.4-0.500112.4F150 S215 S216 R222 R223 S272 E273 C276F150-Q219 HydrophobicContact CE2-CG 3.72Å; F150-Q219 HydrophobicContact CZ-CB 4.25Å; F150-Q219 HydrophobicContact CZ-CG 3.41Å; F150-Q219 VanDerWaalsContact CZ-CG 3.41Å; S215-Q219 WeakPolarHBondContact O-CG 3.41Å; S215-Q219 PolarHBondContact O-N 3.4Å; S216-Q219 PolarHBondContact O-N 2.86Å; S216-Q219 VanDerWaalsContact O-N 3.17Å; Q219-R222 WeakPolarHBondContact O-CB 3.27Å; Q219-R222 PolarHBondContact O-N 3.33Å; Q219-R223 PolarHBondContact O-N 3.27Å; Q219-S272 PolarHBondContact NE2-OG 3.25Å; Q219-S272 PolarHBondContact OE1-O 3.21Å; Q219-E273 VanDerWaalsContact NE2-CG 3.28Å; Q219-E273 VanDerWaalsContact OE1-CG 3.22Å; Q219-C276 HydrophobicContact CB-CB 4.18Å
220T92.9Very high89.9Confident1 Ų137 Ų371%0.00617%0.169CC..Hα-helixtrans-62-44.6174.2-61.40000110.9S216 A217 L218 R222 R223 D224 V229 F231 F280S216-T220 PolarHBondContact O-N 3.33Å; S216-T220 PolarHBondContact O-OG1 3.27Å; S216-T220 VanDerWaalsContact O-OG1 3.11Å; A217-T220 WeakPolarHBondContact O-CB 3.37Å; A217-T220 PolarHBondContact O-N 2.82Å; L218-T220 VanDerWaalsContact C-N 3.33Å; T220-R222 PolarHBondContact O-N 3.13Å; T220-R223 PolarHBondContact O-N 2.85Å; T220-D224 PolarHBondContact O-N 3.15Å; T220-V229 HydrophobicContact CG2-CB 3.85Å; T220-V229 HydrophobicContact CG2-CG1 4.04Å; T220-V229 HydrophobicContact CG2-CG2 4.48Å; T220-F231 HydrophobicContact CG2-CE2 3.98Å; T220-F231 WeakPolarHBondContact OG1-CE2 3.41Å; T220-F231 WeakPolarHBondContact OG1-CZ 3.38Å; T220-F280 HydrophobicContact CG2-CE2 3.72Å; T220-F280 HydrophobicContact CG2-CZ 3.62Å
221L91.6Very high90.1Very high11 Ų1135.2 Ų35.26%0.05816%0.162CC..Hα-helixtrans-61.6-26.7176.3-70.3174000113.7I153 R170 V171 P174 A217 L218 R223 D224I153-L221 HydrophobicContact CG2-CB 4.41Å; R170-L221 HydrophobicContact CB-CD1 4.18Å; R170-L221 HydrophobicContact CB-CD2 4.13Å; V171-L221 HydrophobicContact CG2-CD1 4.17Å; P174-L221 HydrophobicContact CB-CD1 4.46Å; A217-L221 PolarHBondContact O-N 2.99Å; A217-L221 VanDerWaalsContact O-N 3.16Å; L218-L221 PolarHBondContact O-N 3.48Å; L221-R223 VanDerWaalsContact C-N 3.33Å; L221-D224 WeakPolarHBondContact CA-O 3.42Å; L221-D224 CarbonylContact O-C 3.53Å
222R90.8Very high90.3Very high143 Ų14331.6 Ų31.654%0.5414%0.144SC..Hα-helixtrans-70.1-30.2173.8-176.2178.8175.6-175.2-1112.5I153 L218 Q219 T220I153-R222 HydrophobicContact CG2-CB 4.25Å; L218-R222 PolarHBondContact O-N 2.9Å; Q219-R222 WeakPolarHBondContact O-CB 3.27Å; Q219-R222 PolarHBondContact O-N 3.33Å; T220-R222 PolarHBondContact O-N 3.13Å
223R88.3Confident90.4Very high161 Ų16130.1 Ų30.161%0.60814%0.135SC*.Hα-helixtrans-91.6-38.6179.7-174.6168.2175.8179.6-0112.2Q219 T220 L221 F280Q219-R223 PolarHBondContact O-N 3.27Å; T220-R223 PolarHBondContact O-N 2.85Å; L221-R223 VanDerWaalsContact C-N 3.33Å; R223-F280 HydrophobicContact CB-CE2 3.85Å; R223-F280 HydrophobicContact CB-CZ 4.01Å; R223-F280 HydrophobicContact CG-CD2 4.4Å; R223-F280 HydrophobicContact CG-CE2 3.98Å; R223-F280 HydrophobicContact CG-CZ 4.05Å
224D86.2Confident90.4Very high21 Ų2130.1 Ų30.111%0.11214%0.135CC..  trans-124.5104.8178173.722.7000110.6T220 L221 H226 G227 V228 F280T220-D224 PolarHBondContact O-N 3.15Å; L221-D224 WeakPolarHBondContact CA-O 3.42Å; L221-D224 CarbonylContact O-C 3.53Å; D224-H226 WeakPolarHBondContact OD1-CA 3.5Å; D224-H226 VanDerWaalsContact OD1-CB 3.31Å; D224-H226 WeakPolarHBondContact OD1-CB 3.37Å; D224-H226 PolarHBondContact OD1-N 3.41Å; D224-G227 PolarHBondContact OD1-N 2.83Å; D224-G227 PolarHBondContact OD2-N 3.46Å; D224-V228 WeakPolarHBondContact OD2-CB 3.45Å; D224-V228 PolarHBondContact OD2-N 3.49Å; D224-F280 HydrophobicContact CB-CE1 4.03Å; D224-F280 HydrophobicContact CB-CZ 3.78Å
225F85.1Confident90.3Very high36 Ų3631.1 Ų31.116%0.15814%0.142CC..SBendtrans-78.3-20.9177.175-89.4000112.8Y155 R156 F167 R170 G227Y155-F225 HydrophobicContact CE2-CD2 4.3Å; R156-F225 HydrophobicContact CB-CD1 3.73Å; R156-F225 HydrophobicContact CB-CE1 3.93Å; R156-F225 HydrophobicContact CB-CG 4.39Å; F167-F225 HydrophobicContact CD2-CB 4.13Å; F167-F225 HydrophobicContact CE2-CB 3.78Å; F167-F225 HydrophobicContact CZ-CB 4.43Å; R170-F225 PolarHBondContact NH1-O 2.97Å; F225-G227 PolarHBondContact O-N 3.02Å
226H81.1Confident90.1Very high47 Ų4731.7 Ų31.722%0.21815%0.146CC..SBendtrans-69.5-21.3175.5-74-84.2000111.7R170 D224 V228 V291R170-H226 PolarHBondContact NH1-O 3.5Å; D224-H226 WeakPolarHBondContact OD1-CA 3.5Å; D224-H226 VanDerWaalsContact OD1-CB 3.31Å; D224-H226 WeakPolarHBondContact OD1-CB 3.37Å; D224-H226 PolarHBondContact OD1-N 3.41Å; H226-V228 HydrophobicContact CB-CG2 4.22Å; H226-V291 VanDerWaalsContact CE1-CG2 3.45Å; H226-V291 WeakPolarHBondContact CE1-CG2 3.12Å
227G80.3Confident89.9Confident4 Ų436.6 Ų36.64%0.04117%0.167CC..  trans61.74717700000110.8D224 F225 V229 R230D224-G227 PolarHBondContact OD1-N 2.83Å; D224-G227 PolarHBondContact OD2-N 3.46Å; F225-G227 PolarHBondContact O-N 3.02Å; G227-V229 VanDerWaalsContact C-N 3.25Å; G227-R230 VanDerWaalsContact O-CZ 3.29Å; G227-R230 PolarHBondContact O-NE 2.93Å; G227-R230 PolarHBondContact O-NH2 3.15Å; G227-R230 VanDerWaalsContact O-NH2 3.17Å
228V82.1Confident89.7Confident44 Ų4442.6 Ų42.627%0.26719%0.194SC..  trans-62.4-42.3171.9178.60000109D224 H226 T285D224-V228 WeakPolarHBondContact OD2-CB 3.45Å; D224-V228 PolarHBondContact OD2-N 3.49Å; H226-V228 HydrophobicContact CB-CG2 4.22Å; V228-T285 HydrophobicContact CG1-CG2 4.25Å
229V88.4Confident89.5Confident5 Ų543 Ų433%0.0320%0.197CC..EExtended strand (participates in β ladder)trans-82.3127.5174-1790000110S193 V195 T220 G227 F231 V279 F280 Y283S193-V229 WeakPolarHBondContact O-CA 3.46Å; V195-V229 HydrophobicContact CG2-CG1 3.63Å; T220-V229 HydrophobicContact CG2-CB 3.85Å; T220-V229 HydrophobicContact CG2-CG1 4.04Å; T220-V229 HydrophobicContact CG2-CG2 4.48Å; G227-V229 VanDerWaalsContact C-N 3.25Å; V229-F231 HydrophobicContact CG1-CD2 4.2Å; V229-F231 HydrophobicContact CG1-CE2 3.65Å; V229-F231 HydrophobicContact CG1-CZ 4.45Å; V229-V279 HydrophobicContact CG1-CG1 3.69Å; V229-V279 HydrophobicContact CG2-CG1 4.01Å; V229-F280 HydrophobicContact CG2-CE1 4.47Å; V229-Y283 HydrophobicContact CG2-CD2 4.38Å
230R90.2Very high89.3Confident60 Ų6041.4 Ų41.423%0.22619%0.189CC..EExtended strand (participates in β ladder)trans-120.1140177.7-64-64.7173.7156.5-4.8111.5R170 F187 H191 S193 V195 G227R170-R230 VanDerWaalsContact CG-NH1 3.34Å; R170-R230 VanDerWaalsContact CZ-NH2 3.28Å; R170-R230 VanDerWaalsContact NE-NH2 3.2Å; F187-R230 HydrophobicContact CE2-CB 3.92Å; F187-R230 HydrophobicContact CZ-CB 3.77Å; H191-R230 HydrophobicContact CB-CB 4.42Å; H191-R230 HydrophobicContact CB-CG 4.35Å; S193-R230 PolarHBondContact O-N 3.01Å; S193-R230 VanDerWaalsContact O-N 3.16Å; V195-R230 PolarHBondContact N-O 2.82Å; G227-R230 VanDerWaalsContact O-CZ 3.29Å; G227-R230 PolarHBondContact O-NE 2.93Å; G227-R230 PolarHBondContact O-NH2 3.15Å; G227-R230 VanDerWaalsContact O-NH2 3.17Å
231F94.4Very high89.1Confident5 Ų545 Ų452%0.02221%0.206CC..EExtended strand (participates in β ladder)trans-104.4127179.7-74.5-112.9000110.1L175 T176 V195 Y213 S216 A217 T220 V229L175-F231 HydrophobicContact CD2-CB 3.47Å; L175-F231 VanDerWaalsContact CD2-CB 3.47Å; L175-F231 HydrophobicContact CD2-CD1 4.44Å; L175-F231 HydrophobicContact CD2-CG 4.32Å; T176-F231 PolarHBondContact N-O 3.01Å; V195-F231 HydrophobicContact CB-CD1 4.1Å; V195-F231 HydrophobicContact CB-CD2 4.44Å; V195-F231 HydrophobicContact CB-CE1 4.12Å; V195-F231 HydrophobicContact CB-CE2 4.46Å; V195-F231 HydrophobicContact CB-CG 4.24Å; V195-F231 HydrophobicContact CB-CZ 4.3Å; V195-F231 HydrophobicContact CG1-CD1 3.97Å; V195-F231 HydrophobicContact CG1-CE1 3.78Å; V195-F231 HydrophobicContact CG1-CZ 4.29Å; V195-F231 HydrophobicContact CG2-CE1 4.49Å; V195-F231 HydrophobicContact CG2-CE2 4.3Å; V195-F231 HydrophobicContact CG2-CZ 4.21Å; V195-F231 CarbonylContact O-C 3.45Å; V195-F231 WeakPolarHBondContact O-CA 3.38Å; Y213-F231 HydrophobicContact CD2-CD1 4.26Å; Y213-F231 HydrophobicContact CD2-CE1 4.41Å; Y213-F231 HydrophobicContact CE1-CD1 4.17Å; Y213-F231 AromaticContact CE2-CD1 3.53Å; Y213-F231 HydrophobicContact CE2-CD1 3.53Å; Y213-F231 AromaticContact CE2-CE1 3.86Å; Y213-F231 HydrophobicContact CE2-CE1 3.86Å; Y213-F231 AromaticContact CZ-CD1 3.47Å; Y213-F231 VanDerWaalsContact CZ-CD1 3.47Å; Y213-F231 WeakPolarHBondContact OH-CD1 3.27Å; S216-F231 WeakPolarHBondContact OG-CE1 3.4Å; A217-F231 HydrophobicContact CB-CB 3.81Å; A217-F231 HydrophobicContact CB-CD1 3.77Å; A217-F231 HydrophobicContact CB-CD2 3.8Å; A217-F231 HydrophobicContact CB-CE1 4.31Å; A217-F231 HydrophobicContact CB-CE2 4.32Å; A217-F231 HydrophobicContact CB-CG 3.51Å; T220-F231 HydrophobicContact CG2-CE2 3.98Å; T220-F231 WeakPolarHBondContact OG1-CE2 3.41Å; T220-F231 WeakPolarHBondContact OG1-CZ 3.38Å; V229-F231 HydrophobicContact CG1-CD2 4.2Å; V229-F231 HydrophobicContact CG1-CE2 3.65Å; V229-F231 HydrophobicContact CG1-CZ 4.45Å
232G94.8Very high88.8Confident0 Ų047.2 Ų47.20%023%0.226CC..EExtended strand (participates in β ladder)trans-119.6143.4176.900000110.3T176 V195 V196 G197 Y213T176-G232 CarbonylContact O-C 3.58Å; T176-G232 VanDerWaalsContact O-CA 3.24Å; T176-G232 WeakPolarHBondContact O-CA 3.42Å; V195-G232 PolarHBondContact O-N 3.13Å; V196-G232 CarbonylContact C-O 3.46Å; V196-G232 WeakPolarHBondContact CA-O 3.41Å; G197-G232 PolarHBondContact N-O 2.98Å; Y213-G232 PolarHBondContact OH-O 3.36Å
233V94.6Very high88.4Confident8 Ų841.2 Ų41.25%0.04821%0.205CC..EExtended strand (participates in β ladder)trans-118.2127.2175.857.80000110.8L175 T176 Y177 L178 G197 F199 Y210 T235L175-V233 HydrophobicContact CB-CG1 4.44Å; T176-V233 PolarHBondContact O-N 3.3Å; Y177-V233 HydrophobicContact CD2-CG1 4.3Å; L178-V233 PolarHBondContact N-O 2.69Å; G197-V233 WeakPolarHBondContact O-CA 3.46Å; F199-V233 HydrophobicContact CD2-CG2 3.97Å; Y210-V233 HydrophobicContact CD2-CG2 4.4Å; Y210-V233 HydrophobicContact CE2-CB 4.5Å; Y210-V233 HydrophobicContact CE2-CG1 4.49Å; Y210-V233 HydrophobicContact CE2-CG2 4.05Å; V233-T235 HydrophobicContact CG2-CG2 4.43Å
234V94.1Very high88.2Confident1 Ų138 Ų381%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-106.5132.9172.8177.10000108L178 L184 V196 G197 F198 F199 S236 V239 A240L178-V234 HydrophobicContact CB-CG2 3.9Å; L178-V234 HydrophobicContact CD1-CG2 4.22Å; L184-V234 HydrophobicContact CD1-CG2 4.3Å; V196-V234 HydrophobicContact CG1-CB 4.48Å; V196-V234 HydrophobicContact CG1-CG2 3.63Å; G197-V234 PolarHBondContact O-N 3.46Å; F198-V234 WeakPolarHBondContact CA-O 3.11Å; F198-V234 HydrophobicContact CD2-CG1 4.27Å; F198-V234 WeakPolarHBondContact CD2-O 3.47Å; F199-V234 PolarHBondContact N-O 3.32Å; V234-S236 WeakPolarHBondContact CG1-O 2.97Å; V234-V239 HydrophobicContact CG1-CB 3.7Å; V234-V239 HydrophobicContact CG1-CG1 3.73Å; V234-V239 HydrophobicContact CG2-CG1 4.23Å; V234-A240 HydrophobicContact CG1-CB 4.07Å
235T91Very high88.2Confident39 Ų3937.1 Ų37.124%0.23920%0.203CC..  trans-109.3-17.2178.960.70000113.8Y177 F199 F201 V233Y177-T235 HydrophobicContact CD2-CG2 4.38Å; Y177-T235 HydrophobicContact CE2-CG2 3.72Å; Y177-T235 WeakPolarHBondContact CE2-OG1 3.47Å; Y177-T235 PolarHBondContact OH-OG1 3.2Å; F199-T235 WeakPolarHBondContact O-CA 3.23Å; F201-T235 HydrophobicContact CD2-CG2 3.56Å; F201-T235 HydrophobicContact CE2-CG2 3.67Å; V233-T235 HydrophobicContact CG2-CG2 4.43Å
236S90.3Very high88.1Confident42 Ų4244.9 Ų44.929%0.29423%0.231SC..  trans-99.1128.6-179.7175.60000111.4V234 H238 V239 A240V234-S236 WeakPolarHBondContact CG1-O 2.97Å; S236-H238 VanDerWaalsContact C-N 3.27Å; S236-H238 PolarHBondContact O-N 2.96Å; S236-H238 PolarHBondContact OG-N 3.2Å; S236-V239 PolarHBondContact O-N 3.43Å; S236-V239 VanDerWaalsContact O-N 3.11Å; S236-A240 PolarHBondContact O-N 2.97Å
237K89.8Confident88.2Confident102 Ų10249.2 Ų49.244%0.44325%0.252SS..Hα-helixtrans-57-40.4175.5-172.1178.1175.8-178.60112.1F198 V239 A240 E241F198-K237 HydrophobicContact CE2-CB 4.48Å; F198-K237 HydrophobicContact CZ-CB 3.87Å; F198-K237 HydrophobicContact CZ-CG 4.23Å; K237-V239 PolarHBondContact O-N 2.93Å; K237-A240 PolarHBondContact O-N 3.48Å; K237-E241 WeakPolarHBondContact CE-OE1 3.35Å; K237-E241 HydrophobicContact CG-CG 4.48Å; K237-E241 WeakPolarHBondContact O-CG 3.43Å; K237-E241 PolarHBondContact O-N 3.04Å
238H89.9Confident88.5Confident129 Ų12952 Ų5260%0.59727%0.265SS*.Hα-helixtrans-62.9-27.2179.1-62.6-55.7000114R181 S236R181-H238 PolarHBondContact NE-O 2.99Å; R181-H238 PolarHBondContact NH2-O 3.26Å; S236-H238 VanDerWaalsContact C-N 3.27Å; S236-H238 PolarHBondContact O-N 2.96Å; S236-H238 PolarHBondContact OG-N 3.2Å
239V91Very high88.7Confident10 Ų1051.6 Ų51.66%0.06126%0.261CS..Hα-helixtrans-84.7-40176.21790000110.1R181 L184 V234 S236 K237 E241 A242R181-V239 HydrophobicContact CG-CG2 4.41Å; L184-V239 HydrophobicContact CB-CG1 4.17Å; L184-V239 HydrophobicContact CD2-CG1 3.92Å; L184-V239 WeakPolarHBondContact CD2-O 3.36Å; V234-V239 HydrophobicContact CG1-CB 3.7Å; V234-V239 HydrophobicContact CG1-CG1 3.73Å; V234-V239 HydrophobicContact CG2-CG1 4.23Å; S236-V239 PolarHBondContact O-N 3.43Å; S236-V239 VanDerWaalsContact O-N 3.11Å; K237-V239 PolarHBondContact O-N 2.93Å; V239-E241 VanDerWaalsContact C-N 3.31Å; V239-E241 PolarHBondContact O-N 3.49Å; V239-A242 VanDerWaalsContact O-CB 3.28Å; V239-A242 WeakPolarHBondContact O-CB 3.43Å; V239-A242 PolarHBondContact O-N 3.12Å; V239-A242 VanDerWaalsContact O-N 3.16Å
240A88.4Confident88.8Confident0 Ų052 Ų520%026%0.263CS..Hα-helixtrans-62.6-36.5177.100000112.5F198 V234 S236 K237 A242 V243 S244 L245F198-A240 HydrophobicContact CB-CB 4.12Å; F198-A240 HydrophobicContact CD1-CB 3.9Å; F198-A240 HydrophobicContact CD2-CB 3.54Å; F198-A240 HydrophobicContact CE1-CB 4.22Å; F198-A240 HydrophobicContact CE2-CB 3.89Å; F198-A240 HydrophobicContact CG-CB 3.57Å; F198-A240 HydrophobicContact CZ-CB 4.21Å; V234-A240 HydrophobicContact CG1-CB 4.07Å; S236-A240 PolarHBondContact O-N 2.97Å; K237-A240 PolarHBondContact O-N 3.48Å; A240-A242 PolarHBondContact O-N 3.15Å; A240-A242 VanDerWaalsContact O-N 3.13Å; A240-V243 WeakPolarHBondContact O-CG2 3.09Å; A240-V243 PolarHBondContact O-N 2.99Å; A240-S244 PolarHBondContact O-N 3.15Å; A240-L245 CarbonylContact C-O 3.56Å; A240-L245 VanDerWaalsContact C-O 3.28Å; A240-L245 HydrophobicContact CB-CB 3.97Å; A240-L245 PolarHBondContact O-N 3.2Å
241E89.2Confident88.9Confident76 Ų7649.2 Ų49.236%0.35525%0.253SS..G310 helixtrans-59-25.3175.5-77.6169.6178.300113.3K237 V239 V243 S244 L245K237-E241 WeakPolarHBondContact CE-OE1 3.35Å; K237-E241 HydrophobicContact CG-CG 4.48Å; K237-E241 WeakPolarHBondContact O-CG 3.43Å; K237-E241 PolarHBondContact O-N 3.04Å; V239-E241 VanDerWaalsContact C-N 3.31Å; V239-E241 PolarHBondContact O-N 3.49Å; E241-V243 PolarHBondContact O-N 3.05Å; E241-S244 PolarHBondContact O-N 3.39Å; E241-S244 VanDerWaalsContact O-N 3.09Å; E241-L245 PolarHBondContact N-O 3.45Å
242A85.2Confident88.8Confident58 Ų5849.9 Ų49.948%0.47926%0.255SS..G310 helixtrans-67.4-19.1177.200000113.5R181 L184 V239 A240R181-A242 HydrophobicContact CG-CB 4.22Å; L184-A242 HydrophobicContact CD2-CB 4.34Å; V239-A242 VanDerWaalsContact O-CB 3.28Å; V239-A242 WeakPolarHBondContact O-CB 3.43Å; V239-A242 PolarHBondContact O-N 3.12Å; V239-A242 VanDerWaalsContact O-N 3.16Å; A240-A242 PolarHBondContact O-N 3.15Å; A240-A242 VanDerWaalsContact O-N 3.13Å
243V83.1Confident88.6Confident17 Ų1749.9 Ų49.910%0.10326%0.255CS..G310 helixtrans-114.524.5173.1-71.20000111.5L184 L188 A240 E241 L245 Y252L184-V243 HydrophobicContact CD1-CG1 4.43Å; L184-V243 HydrophobicContact CD2-CG1 3.82Å; L184-V243 HydrophobicContact CD2-CG2 4.05Å; L184-V243 HydrophobicContact CG-CG1 4.27Å; L188-V243 HydrophobicContact CD1-CG1 3.69Å; A240-V243 WeakPolarHBondContact O-CG2 3.09Å; A240-V243 PolarHBondContact O-N 2.99Å; E241-V243 PolarHBondContact O-N 3.05Å; V243-L245 HydrophobicContact CG2-CB 4.38Å; V243-L245 HydrophobicContact CG2-CD1 3.91Å; V243-L245 HydrophobicContact CG2-CG 3.93Å; V243-L245 PolarHBondContact O-N 3.26Å; V243-Y252 HydrophobicContact CB-CE1 4.46Å; V243-Y252 HydrophobicContact CB-CE2 4.29Å; V243-Y252 HydrophobicContact CG1-CE1 4.37Å
244S83.5Confident88.2Confident95 Ų9551.4 Ų51.466%0.66426%0.262SS*.THydrogen-bonded Turntrans60.321.7179.6-56.50000114.8A240 E241A240-S244 PolarHBondContact O-N 3.15Å; E241-S244 PolarHBondContact O-N 3.39Å; E241-S244 VanDerWaalsContact O-N 3.09Å
245L85.3Confident87.6Confident2 Ų252.6 Ų52.61%0.0127%0.266CS..  trans-88.1119.2173-67.8-179.5000110.1F198 A240 E241 V243 I262F198-L245 HydrophobicContact CB-CD1 4.04Å; A240-L245 CarbonylContact C-O 3.56Å; A240-L245 VanDerWaalsContact C-O 3.28Å; A240-L245 HydrophobicContact CB-CB 3.97Å; A240-L245 PolarHBondContact O-N 3.2Å; E241-L245 PolarHBondContact N-O 3.45Å; V243-L245 HydrophobicContact CG2-CB 4.38Å; V243-L245 HydrophobicContact CG2-CD1 3.91Å; V243-L245 HydrophobicContact CG2-CG 3.93Å; V243-L245 PolarHBondContact O-N 3.26Å; L245-I262 HydrophobicContact CD2-CD1 4.12Å; L245-I262 HydrophobicContact CD2-CG1 4.25Å
246R82.6Confident86.7Confident198 Ų19855 Ų5575%0.74727%0.271SS*.  trans-116-32.8-178.4-62.5-175.1-179.2-163.80.1113.6
247E84.7Confident85.5Confident139 Ų13956.3 Ų56.365%0.6527%0.271SS*.SBendtrans-91.5140.8-176.6-65176.7-175.500111F198 T250F198-E247 VanDerWaalsContact CD1-O 3.23Å; F198-E247 WeakPolarHBondContact CD1-O 3.37Å; E247-T250 HydrophobicContact CB-CG2 3.74Å; E247-T250 VanDerWaalsContact O-CG2 3.24Å; E247-T250 WeakPolarHBondContact O-CG2 3.39Å; E247-T250 PolarHBondContact O-OG1 3.13Å
248D85.7Confident84.3Confident61 Ų6154.8 Ų54.833%0.32627%0.268SS..THydrogen-bonded Turntrans-66154.9176-165.720000111.9F199 Q200 T250F199-D248 VanDerWaalsContact CA-OD1 3.23Å; F199-D248 WeakPolarHBondContact CA-OD1 3.36Å; Q200-D248 PolarHBondContact N-OD1 3.12Å; D248-T250 PolarHBondContact O-N 2.96Å
249E87.1Confident83.4Confident36 Ų3652.6 Ų52.617%0.16827%0.267CS..THydrogen-bonded Turntrans56.430.5-176.7-48.9-165.9148.200115.5F198 F199 G209 R265F198-E249 WeakPolarHBondContact O-CA 3.35Å; F198-E249 PolarHBondContact O-N 2.66Å; F199-E249 HydrophobicContact CD1-CB 4.09Å; F199-E249 HydrophobicContact CD1-CG 3.98Å; F199-E249 HydrophobicContact CE1-CB 3.84Å; F199-E249 HydrophobicContact CE1-CG 4.11Å; G209-E249 PolarHBondContact N-OE1 3.27Å; E249-R265 VanDerWaalsContact CB-NH1 3.29Å; E249-R265 PolarHBondContact O-NE 3.29Å; E249-R265 VanDerWaalsContact O-NE 3.12Å; E249-R265 PolarHBondContact O-NH2 3.03Å; E249-R265 IonicContact OE2-CZ 3.93Å; E249-R265 IonicContact OE2-NH1 3.49Å; E249-R265 PolarHBondContact OE2-NH1 2.9Å; E249-R265 IonicContact OE2-NH2 3.53Å; E249-R265 PolarHBondContact OE2-NH2 3.18Å
250T90.2Very high83.1Confident13 Ų1354 Ų548%0.0828%0.277CS..EExtended strand (participates in β ladder)trans-89.4147.8176.6480000111.9G197 F198 E247 D248G197-T250 WeakPolarHBondContact CA-O 3.49Å; F198-T250 PolarHBondContact N-O 3.48Å; F198-T250 PolarHBondContact O-N 2.87Å; E247-T250 HydrophobicContact CB-CG2 3.74Å; E247-T250 VanDerWaalsContact O-CG2 3.24Å; E247-T250 WeakPolarHBondContact O-CG2 3.39Å; E247-T250 PolarHBondContact O-OG1 3.13Å; D248-T250 PolarHBondContact O-N 2.96Å
251V92.9Very high83Confident2 Ų256 Ų561%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-120.9125.3176.9178.80000109.2V195 Y213 I262 F263 F270 W278V195-V251 HydrophobicContact CG1-CG1 3.48Å; V195-V251 VanDerWaalsContact CG1-CG1 3.48Å; Y213-V251 HydrophobicContact CD2-CG1 4.47Å; Y213-V251 HydrophobicContact CD2-CG2 3.67Å; Y213-V251 HydrophobicContact CE2-CB 4.49Å; Y213-V251 HydrophobicContact CE2-CG1 3.89Å; Y213-V251 HydrophobicContact CE2-CG2 3.8Å; V251-I262 CarbonylContact O-C 3.56Å; V251-I262 WeakPolarHBondContact O-CA 3.43Å; V251-F263 HydrophobicContact CB-CB 3.9Å; V251-F263 PolarHBondContact O-N 3.1Å; V251-F270 HydrophobicContact CG2-CE2 3.78Å; V251-F270 HydrophobicContact CG2-CZ 4.17Å; V251-W278 HydrophobicContact CG1-CZ3 4.42Å
252Y91.8Very high83.1Confident20 Ų2056.5 Ų56.58%0.07829%0.292CS..EExtended strand (participates in β ladder)trans-110.3134-179.2168.5-92.4000110.2L188 V195 V196 V243 H254 S260 L261L188-Y252 HydrophobicContact CD2-CE1 4.15Å; V195-Y252 CarbonylContact C-O 3.28Å; V195-Y252 VanDerWaalsContact CA-O 3.25Å; V195-Y252 WeakPolarHBondContact CA-O 3.42Å; V196-Y252 HydrophobicContact CB-CD1 4.07Å; V196-Y252 HydrophobicContact CG2-CD1 4.24Å; V196-Y252 PolarHBondContact N-O 3.36Å; V196-Y252 WeakPolarHBondContact O-CB 3.47Å; V196-Y252 PolarHBondContact O-N 3.36Å; V243-Y252 HydrophobicContact CB-CE1 4.46Å; V243-Y252 HydrophobicContact CB-CE2 4.29Å; V243-Y252 HydrophobicContact CG1-CE1 4.37Å; Y252-H254 HydrophobicContact CE1-CB 3.76Å; Y252-H254 AromaticContact CZ-ND1 4Å; Y252-H254 PolarHBondContact OH-ND1 3.15Å; Y252-H254 VanDerWaalsContact OH-ND1 3.1Å; Y252-S260 WeakPolarHBondContact OH-CB 3.48Å; Y252-S260 PolarHBondContact OH-OG 2.96Å; Y252-L261 CarbonylContact C-O 3.59Å; Y252-L261 WeakPolarHBondContact CA-O 3.5Å
253L90.6Very high83.3Confident0 Ų054.1 Ų54.10%027%0.271CS..EExtended strand (participates in β ladder)trans-110.1116.8171.8175.565.7000109.4V195 R255 S260 L261 W278 V279 H282V195-L253 HydrophobicContact CG2-CD1 3.78Å; L253-R255 HydrophobicContact CD2-CG 4.4Å; L253-R255 HydrophobicContact CG-CG 4.15Å; L253-S260 WeakPolarHBondContact O-CA 3.46Å; L253-S260 WeakPolarHBondContact O-CB 3.28Å; L253-L261 PolarHBondContact N-O 3.11Å; L253-L261 PolarHBondContact O-N 2.72Å; L253-W278 HydrophobicContact CB-CH2 3.44Å; L253-W278 VanDerWaalsContact CB-CH2 3.44Å; L253-W278 HydrophobicContact CB-CZ2 4.36Å; L253-W278 HydrophobicContact CB-CZ3 3.7Å; L253-W278 HydrophobicContact CD2-CH2 4.32Å; L253-W278 HydrophobicContact CD2-CZ3 4.38Å; L253-V279 HydrophobicContact CD1-CG1 4.28Å; L253-H282 HydrophobicContact CD2-CB 3.87Å
254H86.9Confident83.6Confident39 Ų3955.6 Ų55.618%0.18128%0.281CS..  trans-76.5137.8173.9-166.762.1000111.4L188 G194 Y252L188-H254 HydrophobicContact CD2-CB 3.69Å; G194-H254 VanDerWaalsContact O-CB 3.24Å; G194-H254 WeakPolarHBondContact O-CB 3.47Å; G194-H254 PolarHBondContact O-N 3.48Å; Y252-H254 HydrophobicContact CE1-CB 3.76Å; Y252-H254 AromaticContact CZ-ND1 4Å; Y252-H254 PolarHBondContact OH-ND1 3.15Å; Y252-H254 VanDerWaalsContact OH-ND1 3.1Å
255R81.1Confident83.7Confident26 Ų2655.2 Ų55.210%0.09827%0.265CS..  trans-143.9144.7-177.6-59.7-169.1-61.9175.52.3111.4L253 S259 L261 H282 E284 R347L253-R255 HydrophobicContact CD2-CG 4.4Å; L253-R255 HydrophobicContact CG-CG 4.15Å; R255-S259 PolarHBondContact NE-O 3.45Å; R255-S259 PolarHBondContact NH2-O 2.93Å; R255-L261 VanDerWaalsContact NH1-CD1 3.33Å; R255-H282 WeakPolarHBondContact CD-O 3.47Å; R255-E284 IonicContact NH1-OE1 3.9Å; R255-R347 PolarHBondContact O-NH1 3.04Å; R255-R347 VanDerWaalsContact O-NH1 3.16Å
256R72.2Confident83.7Confident90 Ų9065.1 Ų65.134%0.3431%0.308SS..SBendtrans-88.3-38.5-174-77.2-168.9131.5-174-6.6114.5R347R256-R347 VanDerWaalsContact C-NH1 3.3Å; R256-R347 PolarHBondContact O-NH1 2.86Å
257F64.6Low84Confident69 Ų6964.6 Ų64.630%0.30331%0.311SS..SBendtrans-96.6-30.4-177.3-60.4-73.1000113.4E284 V286 V334 H337F257-E284 PolarHBondContact N-OE2 2.86Å; F257-E284 VanDerWaalsContact N-OE2 3.15Å; F257-V286 HydrophobicContact CD2-CG2 4.45Å; F257-V286 HydrophobicContact CE2-CB 4.33Å; F257-V286 HydrophobicContact CE2-CG1 4.07Å; F257-V286 HydrophobicContact CE2-CG2 3.38Å; F257-V286 HydrophobicContact CZ-CG1 3.86Å; F257-V286 HydrophobicContact CZ-CG2 3.8Å; F257-V334 HydrophobicContact CE1-CB 4.26Å; F257-V334 HydrophobicContact CE1-CG1 3.8Å; F257-V334 HydrophobicContact CE1-CG2 4.43Å; F257-V334 WeakPolarHBondContact CE1-O 3.49Å; F257-V334 HydrophobicContact CZ-CB 4.19Å; F257-V334 HydrophobicContact CZ-CG1 4.19Å; F257-V334 HydrophobicContact CZ-CG2 3.99Å; F257-H337 HydrophobicContact CE1-CB 3.88Å; F257-H337 HydrophobicContact CE2-CB 4.37Å; F257-H337 HydrophobicContact CZ-CB 3.58Å
258N65.4Low84.1Confident71 Ų7161.2 Ų61.238%0.3830%0.297SS..SBendtrans-114.5160.5-179.1-70.7-47.1000112.9S260 E284 R347N258-S260 PolarHBondContact O-N 2.89Å; N258-E284 WeakPolarHBondContact CB-OE1 3.23Å; N258-E284 PolarHBondContact ND2-OE1 2.99Å; N258-R347 PolarHBondContact O-NH1 3.02Å; N258-R347 PolarHBondContact O-NH2 2.9Å
259S71Confident84.4Confident83 Ų8364.7 Ų64.758%0.5832%0.316SS*.  trans-44.8137.6170.856.30000111.3R255 R347R255-S259 PolarHBondContact NE-O 3.45Å; R255-S259 PolarHBondContact NH2-O 2.93Å; S259-R347 VanDerWaalsContact CA-NH2 3.28Å
260S82.7Confident84.6Confident38 Ų3864.9 Ų64.927%0.26632%0.316SS..  trans-63.1148.2176.4-47.70000110.1Y252 L253 N258Y252-S260 WeakPolarHBondContact OH-CB 3.48Å; Y252-S260 PolarHBondContact OH-OG 2.96Å; L253-S260 WeakPolarHBondContact O-CA 3.46Å; L253-S260 WeakPolarHBondContact O-CB 3.28Å; N258-S260 PolarHBondContact O-N 2.89Å
261L87.6Confident84.7Confident42 Ų4267.4 Ų67.422%0.2233%0.331CS..EExtended strand (participates in β ladder)trans-108.6150.5-176.3-63.7176.9000111.7Y252 L253 R255 W278 H282Y252-L261 CarbonylContact C-O 3.59Å; Y252-L261 WeakPolarHBondContact CA-O 3.5Å; L253-L261 PolarHBondContact N-O 3.11Å; L253-L261 PolarHBondContact O-N 2.72Å; R255-L261 VanDerWaalsContact NH1-CD1 3.33Å; L261-W278 HydrophobicContact CB-CH2 4.13Å; L261-W278 HydrophobicContact CB-CZ2 3.63Å; L261-W278 HydrophobicContact CD1-CZ2 4.39Å; L261-H282 HydrophobicContact CD1-CB 3.87Å
262I90.1Very high84.7Confident88 Ų8868.4 Ų68.445%0.45134%0.339SS..EExtended strand (participates in β ladder)trans-109.8136.2169.9-59174000107.7L245 V251 P264L245-I262 HydrophobicContact CD2-CD1 4.12Å; L245-I262 HydrophobicContact CD2-CG1 4.25Å; V251-I262 CarbonylContact O-C 3.56Å; V251-I262 WeakPolarHBondContact O-CA 3.43Å; I262-P264 WeakPolarHBondContact O-CD 3.23Å
263F90.4Very high84.8Confident8 Ų874 Ų744%0.03537%0.365CS..  trans-60.3121.4179.3-179.7-96.4000110.4V251 R265 L268 F270 A274 V275 W278V251-F263 HydrophobicContact CB-CB 3.9Å; V251-F263 PolarHBondContact O-N 3.1Å; F263-R265 HydrophobicContact CD1-CG 3.74Å; F263-R265 HydrophobicContact CE1-CG 4.06Å; F263-R265 PolarHBondContact O-N 2.88Å; F263-L268 HydrophobicContact CE1-CB 4.28Å; F263-L268 HydrophobicContact CE2-CB 4.37Å; F263-L268 HydrophobicContact CE2-CD1 4.11Å; F263-L268 HydrophobicContact CZ-CB 3.75Å; F263-L268 HydrophobicContact CZ-CD1 4.33Å; F263-F270 AromaticContact CD1-CD2 3.97Å; F263-F270 HydrophobicContact CD1-CD2 3.97Å; F263-F270 HydrophobicContact CD1-CE2 4.47Å; F263-F270 AromaticContact CE1-CD2 3.8Å; F263-F270 HydrophobicContact CE1-CD2 3.8Å; F263-A274 HydrophobicContact CZ-CB 4.36Å; F263-V275 HydrophobicContact CD2-CG2 4.22Å; F263-V275 HydrophobicContact CE1-CG2 4.39Å; F263-V275 HydrophobicContact CE2-CB 4.5Å; F263-V275 HydrophobicContact CE2-CG2 3.92Å; F263-V275 HydrophobicContact CZ-CG2 4.01Å; F263-W278 HydrophobicContact CB-CE3 4.35Å; F263-W278 HydrophobicContact CB-CH2 4.15Å; F263-W278 HydrophobicContact CB-CZ2 4.37Å; F263-W278 HydrophobicContact CB-CZ3 4.15Å; F263-W278 HydrophobicContact CD2-CB 4.05Å; F263-W278 AromaticContact CD2-CD2 3.64Å; F263-W278 HydrophobicContact CD2-CD2 3.64Å; F263-W278 AromaticContact CD2-CE3 3.74Å; F263-W278 HydrophobicContact CD2-CE3 3.74Å; F263-W278 AromaticContact CD2-CG 3.78Å; F263-W278 HydrophobicContact CD2-CG 3.78Å; F263-W278 HydrophobicContact CD2-CZ3 4.38Å; F263-W278 HydrophobicContact CE2-CB 3.91Å; F263-W278 HydrophobicContact CE2-CD2 4.4Å; F263-W278 HydrophobicContact CE2-CG 4.09Å
264P90.3Very high84.9Confident48 Ų4875 Ų7531%0.31237%0.373SS..  trans-81.579.4-171.133-35.9000111.7I262 K266 K267 L268I262-P264 WeakPolarHBondContact O-CD 3.23Å; P264-K266 PolarHBondContact O-N 3.16Å; P264-K266 VanDerWaalsContact O-N 3.13Å; P264-K267 HydrophobicContact CB-CB 4.45Å; P264-K267 PolarHBondContact O-N 3.37Å; P264-L268 HydrophobicContact CG-CD1 3.95Å; P264-L268 HydrophobicContact CG-CG 4.34Å; P264-L268 PolarHBondContact O-N 2.9Å
265R85.2Confident85.2Confident87 Ų8773.1 Ų73.133%0.32837%0.365SS..THydrogen-bonded Turntrans-57-27.4178.8-74-172.3152.6-155.9-5.5114.6E249 F263 K267 F270E249-R265 VanDerWaalsContact CB-NH1 3.29Å; E249-R265 PolarHBondContact O-NE 3.29Å; E249-R265 VanDerWaalsContact O-NE 3.12Å; E249-R265 PolarHBondContact O-NH2 3.03Å; E249-R265 IonicContact OE2-CZ 3.93Å; E249-R265 IonicContact OE2-NH1 3.49Å; E249-R265 PolarHBondContact OE2-NH1 2.9Å; E249-R265 IonicContact OE2-NH2 3.53Å; E249-R265 PolarHBondContact OE2-NH2 3.18Å; F263-R265 HydrophobicContact CD1-CG 3.74Å; F263-R265 HydrophobicContact CE1-CG 4.06Å; F263-R265 PolarHBondContact O-N 2.88Å; R265-K267 PolarHBondContact O-N 3.12Å; R265-F270 HydrophobicContact CG-CD2 4.32Å; R265-F270 VanDerWaalsContact NE-CD2 3.33Å; R265-F270 VanDerWaalsContact NH2-CG 3.27Å
266K84.4Confident85.8Confident210 Ų21072.4 Ų72.491%0.91336%0.364SS*.THydrogen-bonded Turntrans-69.3-20.8177.1-62.2-175.6-178.2179.60113.2P264P264-K266 PolarHBondContact O-N 3.16Å; P264-K266 VanDerWaalsContact O-N 3.13Å
267K88.9Confident86.8Confident186 Ų18673.9 Ų73.981%0.80937%0.373SS*.THydrogen-bonded Turntrans-112.4-30.1-177.2-64.6-176.5178.5-178.60112.8P264 R265P264-K267 HydrophobicContact CB-CB 4.45Å; P264-K267 PolarHBondContact O-N 3.37Å; R265-K267 PolarHBondContact O-N 3.12Å
268L88.2Confident88.2Confident68 Ų6871.1 Ų71.136%0.35636%0.36SS..SBendtrans-121.9135.9-174.9-65.5176.6000111F263 P264 F270F263-L268 HydrophobicContact CE1-CB 4.28Å; F263-L268 HydrophobicContact CE2-CB 4.37Å; F263-L268 HydrophobicContact CE2-CD1 4.11Å; F263-L268 HydrophobicContact CZ-CB 3.75Å; F263-L268 HydrophobicContact CZ-CD1 4.33Å; P264-L268 HydrophobicContact CG-CD1 3.95Å; P264-L268 HydrophobicContact CG-CG 4.34Å; P264-L268 PolarHBondContact O-N 2.9Å; L268-F270 PolarHBondContact O-N 2.87Å
269N91.5Very high89.5Confident134 Ų13467.8 Ų67.872%0.71734%0.342SS*.  trans-62.3135.4173-68.2-15.2000110.2T271 A274N269-T271 VanDerWaalsContact C-N 3.32Å; N269-T271 HydrophobicContact CB-CG2 4.28Å; N269-T271 PolarHBondContact O-N 2.98Å; N269-A274 VanDerWaalsContact O-CB 3.23Å; N269-A274 WeakPolarHBondContact O-CB 3.47Å
270F90.4Very high90.4Very high41 Ų4164.7 Ų64.718%0.1832%0.319CS..  trans-79.782.4178.3-168.4-102.8000110.4F199 G209 T212 V251 F263 R265 L268 V275F199-F270 HydrophobicContact CZ-CZ 4.42Å; G209-F270 WeakPolarHBondContact O-CE1 3.36Å; T212-F270 HydrophobicContact CG2-CD1 3.85Å; T212-F270 HydrophobicContact CG2-CE1 3.83Å; V251-F270 HydrophobicContact CG2-CE2 3.78Å; V251-F270 HydrophobicContact CG2-CZ 4.17Å; F263-F270 AromaticContact CD1-CD2 3.97Å; F263-F270 HydrophobicContact CD1-CD2 3.97Å; F263-F270 HydrophobicContact CD1-CE2 4.47Å; F263-F270 AromaticContact CE1-CD2 3.8Å; F263-F270 HydrophobicContact CE1-CD2 3.8Å; R265-F270 HydrophobicContact CG-CD2 4.32Å; R265-F270 VanDerWaalsContact NE-CD2 3.33Å; R265-F270 VanDerWaalsContact NH2-CG 3.27Å; L268-F270 PolarHBondContact O-N 2.87Å; F270-V275 HydrophobicContact CD2-CG2 4.07Å; F270-V275 HydrophobicContact CE2-CG2 3.92Å
271T93.3Very high90.8Very high65 Ų6568.5 Ų68.540%0.39933%0.332SS..  trans-121.5160174.667.30000110.5N269 E273 A274 V275N269-T271 VanDerWaalsContact C-N 3.32Å; N269-T271 HydrophobicContact CB-CG2 4.28Å; N269-T271 PolarHBondContact O-N 2.98Å; T271-E273 VanDerWaalsContact C-N 3.26Å; T271-E273 PolarHBondContact O-N 3.3Å; T271-A274 PolarHBondContact O-N 3.29Å; T271-A274 VanDerWaalsContact OG1-CB 3.28Å; T271-A274 WeakPolarHBondContact OG1-CB 3.49Å; T271-A274 PolarHBondContact OG1-N 2.81Å; T271-V275 WeakPolarHBondContact O-CG2 3.07Å; T271-V275 PolarHBondContact O-N 2.89Å
272S92.6Very high90.7Very high24 Ų2469.6 Ų69.617%0.16834%0.336CS..Hα-helixtrans-59.9-38.8-179.654.30000112.4Q219 C276Q219-S272 PolarHBondContact NE2-OG 3.25Å; Q219-S272 PolarHBondContact OE1-O 3.21Å; S272-C276 VanDerWaalsContact O-CB 3.26Å; S272-C276 WeakPolarHBondContact O-CB 3.22Å; S272-C276 PolarHBondContact O-N 2.89Å
273E93Very high90.4Very high136 Ų13669.3 Ų69.364%0.63633%0.33SS*.Hα-helixtrans-70.5-41.3179.3-65.8-178.6179.400112.1Q219 T271 C276 K277Q219-E273 VanDerWaalsContact NE2-CG 3.28Å; Q219-E273 VanDerWaalsContact OE1-CG 3.22Å; T271-E273 VanDerWaalsContact C-N 3.26Å; T271-E273 PolarHBondContact O-N 3.3Å; E273-C276 PolarHBondContact O-N 2.8Å; E273-K277 WeakPolarHBondContact O-CB 3.18Å; E273-K277 PolarHBondContact O-N 2.89Å
274A93.9Very high89.6Confident21 Ų2170.6 Ų70.617%0.17434%0.336CS..Hα-helixtrans-65.2-43.2178.200000111.5F263 N269 T271 W278F263-A274 HydrophobicContact CZ-CB 4.36Å; N269-A274 VanDerWaalsContact O-CB 3.23Å; N269-A274 WeakPolarHBondContact O-CB 3.47Å; T271-A274 PolarHBondContact O-N 3.29Å; T271-A274 VanDerWaalsContact OG1-CB 3.28Å; T271-A274 WeakPolarHBondContact OG1-CB 3.49Å; T271-A274 PolarHBondContact OG1-N 2.81Å; A274-W278 VanDerWaalsContact O-CB 3.24Å; A274-W278 WeakPolarHBondContact O-CB 3.31Å; A274-W278 PolarHBondContact O-N 3.11Å
275V93.4Very high88.9Confident0 Ų070.2 Ų70.20%033%0.333CS..Hα-helixtrans-64.9-46.8176.2175.80000110.5F263 F270 T271 K277 W278 V279F263-V275 HydrophobicContact CD2-CG2 4.22Å; F263-V275 HydrophobicContact CE1-CG2 4.39Å; F263-V275 HydrophobicContact CE2-CB 4.5Å; F263-V275 HydrophobicContact CE2-CG2 3.92Å; F263-V275 HydrophobicContact CZ-CG2 4.01Å; F270-V275 HydrophobicContact CD2-CG2 4.07Å; F270-V275 HydrophobicContact CE2-CG2 3.92Å; T271-V275 WeakPolarHBondContact O-CG2 3.07Å; T271-V275 PolarHBondContact O-N 2.89Å; V275-K277 PolarHBondContact O-N 3.5Å; V275-W278 PolarHBondContact O-N 3.31Å; V275-V279 HydrophobicContact CG1-CG2 4.47Å; V275-V279 VanDerWaalsContact O-CG2 3.31Å; V275-V279 WeakPolarHBondContact O-CG2 3.41Å; V275-V279 PolarHBondContact O-N 2.78Å
276C93.4Very high88.7Confident11 Ų1166.7 Ų66.77%0.07432%0.321CS..Hα-helixtrans-58.8-48.5177.3179.70000111.6Q219 S272 E273 V279 F280Q219-C276 HydrophobicContact CB-CB 4.18Å; S272-C276 VanDerWaalsContact O-CB 3.26Å; S272-C276 WeakPolarHBondContact O-CB 3.22Å; S272-C276 PolarHBondContact O-N 2.89Å; E273-C276 PolarHBondContact O-N 2.8Å; C276-V279 PolarHBondContact O-N 3.02Å; C276-F280 VanDerWaalsContact O-CD2 3.25Å; C276-F280 WeakPolarHBondContact O-CD2 3.39Å; C276-F280 PolarHBondContact O-N 2.94Å; C276-F280 VanDerWaalsContact O-N 3.1Å
277K93.6Very high88.9Confident122 Ų12257 Ų5753%0.5328%0.279SS..Hα-helixtrans-59.4-48.6177.3-179.5175.2171.8179.10111.6E273 V275 V279 F280 E281E273-K277 WeakPolarHBondContact O-CB 3.18Å; E273-K277 PolarHBondContact O-N 2.89Å; V275-K277 PolarHBondContact O-N 3.5Å; K277-V279 VanDerWaalsContact C-N 3.34Å; K277-V279 PolarHBondContact O-N 3.49Å; K277-F280 PolarHBondContact O-N 2.7Å; K277-E281 WeakPolarHBondContact CE-OE1 3.25Å; K277-E281 HydrophobicContact CG-CG 4.4Å; K277-E281 WeakPolarHBondContact CG-OE1 3.37Å; K277-E281 IonicContact NZ-OE1 2.76Å; K277-E281 WeakPolarHBondContact O-CG 3.18Å; K277-E281 PolarHBondContact O-N 2.98Å
278W93.4Very high88.8Confident11 Ų1151.2 Ų51.24%0.04226%0.255CS..Hα-helixtrans-59.5-42.6178.7173.579.4000112.4V251 L253 L261 F263 A274 V275 E281 H282V251-W278 HydrophobicContact CG1-CZ3 4.42Å; L253-W278 HydrophobicContact CB-CH2 3.44Å; L253-W278 VanDerWaalsContact CB-CH2 3.44Å; L253-W278 HydrophobicContact CB-CZ2 4.36Å; L253-W278 HydrophobicContact CB-CZ3 3.7Å; L253-W278 HydrophobicContact CD2-CH2 4.32Å; L253-W278 HydrophobicContact CD2-CZ3 4.38Å; L261-W278 HydrophobicContact CB-CH2 4.13Å; L261-W278 HydrophobicContact CB-CZ2 3.63Å; L261-W278 HydrophobicContact CD1-CZ2 4.39Å; F263-W278 HydrophobicContact CB-CE3 4.35Å; F263-W278 HydrophobicContact CB-CH2 4.15Å; F263-W278 HydrophobicContact CB-CZ2 4.37Å; F263-W278 HydrophobicContact CB-CZ3 4.15Å; F263-W278 HydrophobicContact CD2-CB 4.05Å; F263-W278 AromaticContact CD2-CD2 3.64Å; F263-W278 HydrophobicContact CD2-CD2 3.64Å; F263-W278 AromaticContact CD2-CE3 3.74Å; F263-W278 HydrophobicContact CD2-CE3 3.74Å; F263-W278 AromaticContact CD2-CG 3.78Å; F263-W278 HydrophobicContact CD2-CG 3.78Å; F263-W278 HydrophobicContact CD2-CZ3 4.38Å; F263-W278 HydrophobicContact CE2-CB 3.91Å; F263-W278 HydrophobicContact CE2-CD2 4.4Å; F263-W278 HydrophobicContact CE2-CG 4.09Å; A274-W278 VanDerWaalsContact O-CB 3.24Å; A274-W278 WeakPolarHBondContact O-CB 3.31Å; A274-W278 PolarHBondContact O-N 3.11Å; V275-W278 PolarHBondContact O-N 3.31Å; W278-E281 PolarHBondContact O-N 3.27Å; W278-H282 AromaticContact CD1-CE1 3.54Å; W278-H282 AromaticContact CD1-ND1 3.48Å; W278-H282 AromaticContact NE1-CE1 3.8Å; W278-H282 AromaticContact NE1-ND1 3.68Å; W278-H282 PolarHBondContact O-N 3.22Å; W278-H282 PolarHBondContact O-ND1 3.42Å
279V91.8Very high88.8Confident0 Ų050.5 Ų50.50%025%0.248CC..Hα-helixtrans-60.1-50175.9172.70000110.5V195 V229 L253 V275 C276 K277 E281 H282 Y283V195-V279 HydrophobicContact CG2-CG1 4.06Å; V195-V279 HydrophobicContact CG2-CG2 3.86Å; V229-V279 HydrophobicContact CG1-CG1 3.69Å; V229-V279 HydrophobicContact CG2-CG1 4.01Å; L253-V279 HydrophobicContact CD1-CG1 4.28Å; V275-V279 HydrophobicContact CG1-CG2 4.47Å; V275-V279 VanDerWaalsContact O-CG2 3.31Å; V275-V279 WeakPolarHBondContact O-CG2 3.41Å; V275-V279 PolarHBondContact O-N 2.78Å; C276-V279 PolarHBondContact O-N 3.02Å; K277-V279 VanDerWaalsContact C-N 3.34Å; K277-V279 PolarHBondContact O-N 3.49Å; V279-E281 VanDerWaalsContact C-N 3.28Å; V279-E281 PolarHBondContact O-N 3.18Å; V279-H282 PolarHBondContact O-N 3.34Å; V279-Y283 VanDerWaalsContact O-CB 3.29Å; V279-Y283 WeakPolarHBondContact O-CB 3.11Å; V279-Y283 PolarHBondContact O-N 2.91Å
280F90.4Very high88.7Confident19 Ų1944.5 Ų44.58%0.08322%0.216CC..Hα-helixtrans-72.7-15.6-178.9-75.7-70.6000114.9T220 R223 D224 V229 C276 K277 Y283T220-F280 HydrophobicContact CG2-CE2 3.72Å; T220-F280 HydrophobicContact CG2-CZ 3.62Å; R223-F280 HydrophobicContact CB-CE2 3.85Å; R223-F280 HydrophobicContact CB-CZ 4.01Å; R223-F280 HydrophobicContact CG-CD2 4.4Å; R223-F280 HydrophobicContact CG-CE2 3.98Å; R223-F280 HydrophobicContact CG-CZ 4.05Å; D224-F280 HydrophobicContact CB-CE1 4.03Å; D224-F280 HydrophobicContact CB-CZ 3.78Å; V229-F280 HydrophobicContact CG2-CE1 4.47Å; C276-F280 VanDerWaalsContact O-CD2 3.25Å; C276-F280 WeakPolarHBondContact O-CD2 3.39Å; C276-F280 PolarHBondContact O-N 2.94Å; C276-F280 VanDerWaalsContact O-N 3.1Å; K277-F280 PolarHBondContact O-N 2.7Å; F280-Y283 VanDerWaalsContact CA-CD1 3.48Å; F280-Y283 HydrophobicContact CB-CD1 4.35Å; F280-Y283 HydrophobicContact CB-CE1 4.33Å; F280-Y283 HydrophobicContact CD1-CD1 4.08Å; F280-Y283 AromaticContact CD1-CE1 3.79Å; F280-Y283 HydrophobicContact CD1-CE1 3.79Å; F280-Y283 HydrophobicContact CD1-CE2 4.41Å; F280-Y283 AromaticContact CD1-CZ 3.98Å; F280-Y283 WeakPolarHBondContact O-CD1 3.47Å; F280-Y283 WeakPolarHBondContact O-CE1 3.37Å
281E90.3Very high88.4Confident117 Ų11744.5 Ų44.555%0.54722%0.219SC..Hα-helixtrans-79.5-26.1171.1-77172.7171.900112.5K277 W278 V279K277-E281 WeakPolarHBondContact CE-OE1 3.25Å; K277-E281 HydrophobicContact CG-CG 4.4Å; K277-E281 WeakPolarHBondContact CG-OE1 3.37Å; K277-E281 IonicContact NZ-OE1 2.76Å; K277-E281 WeakPolarHBondContact O-CG 3.18Å; K277-E281 PolarHBondContact O-N 2.98Å; W278-E281 PolarHBondContact O-N 3.27Å; V279-E281 VanDerWaalsContact C-N 3.28Å; V279-E281 PolarHBondContact O-N 3.18Å
282H87.3Confident87.8Confident66 Ų6642 Ų4231%0.30620%0.204SC..Hα-helixtrans-120.4-3.6-171.3-58.983.4000114.2L253 R255 L261 W278 V279L253-H282 HydrophobicContact CD2-CB 3.87Å; R255-H282 WeakPolarHBondContact CD-O 3.47Å; L261-H282 HydrophobicContact CD1-CB 3.87Å; W278-H282 AromaticContact CD1-CE1 3.54Å; W278-H282 AromaticContact CD1-ND1 3.48Å; W278-H282 AromaticContact NE1-CE1 3.8Å; W278-H282 AromaticContact NE1-ND1 3.68Å; W278-H282 PolarHBondContact O-N 3.22Å; W278-H282 PolarHBondContact O-ND1 3.42Å; V279-H282 PolarHBondContact O-N 3.34Å
283Y81.9Confident86.7Confident81 Ų8144.8 Ų44.832%0.31822%0.222SC..  trans-70141.7174.785.7-57.2000110.7V229 V279 F280 T285V229-Y283 HydrophobicContact CG2-CD2 4.38Å; V279-Y283 VanDerWaalsContact O-CB 3.29Å; V279-Y283 WeakPolarHBondContact O-CB 3.11Å; V279-Y283 PolarHBondContact O-N 2.91Å; F280-Y283 VanDerWaalsContact CA-CD1 3.48Å; F280-Y283 HydrophobicContact CB-CD1 4.35Å; F280-Y283 HydrophobicContact CB-CE1 4.33Å; F280-Y283 HydrophobicContact CD1-CD1 4.08Å; F280-Y283 AromaticContact CD1-CE1 3.79Å; F280-Y283 HydrophobicContact CD1-CE1 3.79Å; F280-Y283 HydrophobicContact CD1-CE2 4.41Å; F280-Y283 AromaticContact CD1-CZ 3.98Å; F280-Y283 WeakPolarHBondContact O-CD1 3.47Å; F280-Y283 WeakPolarHBondContact O-CE1 3.37Å; Y283-T285 HydrophobicContact CD2-CG2 3.61Å; Y283-T285 HydrophobicContact CE2-CG2 3.31Å
284E75.2Confident85.4Confident36 Ų3641.7 Ų41.717%0.16823%0.226CC..  trans-110.7128.7180-68.1167.2-172.900107.3R255 F257 N258R255-E284 IonicContact NH1-OE1 3.9Å; F257-E284 PolarHBondContact N-OE2 2.86Å; F257-E284 VanDerWaalsContact N-OE2 3.15Å; N258-E284 WeakPolarHBondContact CB-OE1 3.23Å; N258-E284 PolarHBondContact ND2-OE1 2.99Å
285T75.3Confident84.2Confident40 Ų4045.8 Ų45.825%0.24525%0.249CC..  trans-121.4120.917254.80000108.8V228 Y283 Q288V228-T285 HydrophobicContact CG1-CG2 4.25Å; Y283-T285 HydrophobicContact CD2-CG2 3.61Å; Y283-T285 HydrophobicContact CE2-CG2 3.31Å; T285-Q288 PolarHBondContact OG1-NE2 3.49Å
286V80.6Confident83.2Confident12 Ų1255.7 Ų55.77%0.07329%0.292CS..SBendtrans-92.7-36.9177.6-152.60000109.6F257 A333 V334 H337F257-V286 HydrophobicContact CD2-CG2 4.45Å; F257-V286 HydrophobicContact CE2-CB 4.33Å; F257-V286 HydrophobicContact CE2-CG1 4.07Å; F257-V286 HydrophobicContact CE2-CG2 3.38Å; F257-V286 HydrophobicContact CZ-CG1 3.86Å; F257-V286 HydrophobicContact CZ-CG2 3.8Å; V286-A333 HydrophobicContact CB-CB 4.28Å; V286-A333 HydrophobicContact CG1-CB 3.58Å; V286-V334 HydrophobicContact CG1-CG2 4.47Å; V286-V334 HydrophobicContact CG2-CG2 3.96Å; V286-H337 HydrophobicContact CG1-CB 4.48Å; V286-H337 VanDerWaalsContact CG1-CD2 3.43Å; V286-H337 WeakPolarHBondContact CG1-CD2 3.27Å
287V87.8Confident82.6Confident7 Ų755.9 Ų55.94%0.04229%0.294CS..EExtended strand (participates in β ladder)trans-120130.5178.5-179.70000108.4F329 A330 A333 F494 V496V287-F329 HydrophobicContact CG1-CD1 4.03Å; V287-F329 HydrophobicContact CG1-CE1 4.04Å; V287-F329 HydrophobicContact CG2-CD1 4.01Å; V287-F329 HydrophobicContact CG2-CE1 4.25Å; V287-A330 HydrophobicContact CG2-CB 4.09Å; V287-A333 HydrophobicContact CG2-CB 3.77Å; V287-F494 HydrophobicContact CG2-CB 4.14Å; V287-V496 HydrophobicContact CG1-CB 4.37Å; V287-V496 HydrophobicContact CG1-CG2 3.34Å
288Q88.3Confident82.1Confident65 Ų6559.7 Ų59.730%0.30431%0.305SS..EExtended strand (participates in β ladder)trans-117136.6-180-68.8-176.91.100111.7T285 F494 Y495 V496T285-Q288 PolarHBondContact OG1-NE2 3.49Å; Q288-F494 PolarHBondContact N-O 2.97Å; Q288-F494 VanDerWaalsContact N-O 3.1Å; Q288-Y495 HydrophobicContact CB-CD1 3.73Å; Q288-Y495 HydrophobicContact CB-CE1 3.98Å; Q288-Y495 CarbonylContact O-C 3.45Å; Q288-Y495 VanDerWaalsContact O-CA 3.23Å; Q288-Y495 WeakPolarHBondContact O-CA 3.49Å; Q288-V496 PolarHBondContact O-N 3.27Å
289W87.6Confident81.7Confident52 Ų5263.1 Ų63.120%0.19732%0.323CS..EExtended strand (participates in β ladder)trans-81.9129.2173-75.582.7000110.2H316 H326 V496W289-H316 HydrophobicContact CH2-CB 3.79Å; W289-H316 AromaticContact CH2-CD2 3.95Å; W289-H316 AromaticContact CH2-CE1 3.72Å; W289-H316 AromaticContact CH2-CG 3.37Å; W289-H316 AromaticContact CH2-ND1 3.24Å; W289-H316 WeakPolarHBondContact CH2-ND1 3.23Å; W289-H316 AromaticContact CZ2-CE1 3.88Å; W289-H316 AromaticContact CZ2-ND1 3.78Å; W289-H316 HydrophobicContact CZ3-CB 3.88Å; W289-H316 AromaticContact CZ3-CD2 3.94Å; W289-H316 AromaticContact CZ3-CG 3.65Å; W289-H316 AromaticContact CZ3-ND1 3.99Å; W289-H326 AromaticContact CE2-CD2 3.92Å; W289-H326 AromaticContact CE2-NE2 3.86Å; W289-H326 AromaticContact CZ2-CD2 3.5Å; W289-H326 VanDerWaalsContact CZ2-CD2 3.5Å; W289-H326 WeakPolarHBondContact CZ2-CD2 3.36Å; W289-H326 AromaticContact CZ2-NE2 3.89Å; W289-H326 AromaticContact NE1-CD2 3.84Å; W289-H326 AromaticContact NE1-NE2 3.28Å; W289-H326 PolarHBondContact NE1-NE2 3.38Å; W289-V496 WeakPolarHBondContact CA-O 3.21Å; W289-V496 HydrophobicContact CD2-CB 4.15Å; W289-V496 HydrophobicContact CD2-CG1 4.2Å; W289-V496 HydrophobicContact CE3-CB 4.19Å; W289-V496 HydrophobicContact CE3-CG1 3.9Å; W289-V496 HydrophobicContact CH2-CB 4.39Å; W289-V496 HydrophobicContact CH2-CG1 3.45Å; W289-V496 VanDerWaalsContact CH2-CG1 3.45Å; W289-V496 HydrophobicContact CZ2-CB 4.36Å; W289-V496 HydrophobicContact CZ2-CG1 3.77Å; W289-V496 HydrophobicContact CZ3-CB 4.31Å; W289-V496 HydrophobicContact CZ3-CG1 3.52Å
290L88.9Confident81.5Confident8 Ų864.2 Ų64.24%0.04233%0.329CS..  trans-111136.1174-60.6-179.7000110.6L299 L300 E303 Y495 V496 L497L290-L299 HydrophobicContact CD2-CD2 3.9Å; L290-L300 HydrophobicContact CD1-CD1 3.98Å; L290-E303 HydrophobicContact CD2-CG 3.98Å; L290-Y495 HydrophobicContact CD1-CD1 3.57Å; L290-Y495 HydrophobicContact CD1-CD2 4.32Å; L290-Y495 HydrophobicContact CD1-CE1 4.21Å; L290-Y495 HydrophobicContact CD1-CG 3.63Å; L290-Y495 HydrophobicContact CD2-CD1 3.86Å; L290-Y495 HydrophobicContact CD2-CE1 4.16Å; L290-Y495 HydrophobicContact CG-CD1 3.63Å; L290-Y495 HydrophobicContact CG-CE1 4.37Å; L290-Y495 HydrophobicContact CG-CG 4.08Å; L290-V496 PolarHBondContact N-O 3.09Å; L290-L497 HydrophobicContact CB-CD2 4.26Å; L290-L497 HydrophobicContact CB-CG 4.14Å
291V83.8Confident81.4Confident42 Ų4268.5 Ų68.526%0.25535%0.349SS..  trans-127.875.7173.2-171.30000108.4H226H226-V291 VanDerWaalsContact CE1-CG2 3.45Å; H226-V291 WeakPolarHBondContact CE1-CG2 3.12Å
292P82.5Confident81.4Confident11 Ų1167.4 Ų67.47%0.07135%0.347CS..  trans-65144.217427.7-32000109.7G294 L300 L497 N502 L505P292-G294 PolarHBondContact O-N 3.02Å; P292-L300 HydrophobicContact CB-CB 4.41Å; P292-L497 HydrophobicContact CG-CD2 4.07Å; P292-N502 WeakPolarHBondContact CD-OD1 3.44Å; P292-N502 VanDerWaalsContact CG-OD1 3.27Å; P292-N502 WeakPolarHBondContact CG-OD1 3.36Å; P292-L505 HydrophobicContact CG-CD2 4.39Å
293P68.5Low81.5Confident84 Ų8465.7 Ų65.755%0.54534%0.339SS..  trans-72.124.1-175.530.9-37.9000114.5T295 S297P293-T295 PolarHBondContact O-N 3.37Å; P293-T295 PolarHBondContact O-OG1 3.04Å; P293-S297 WeakPolarHBondContact CD-OG 3.36Å
294G66.1Low81.9Confident71 Ų7162.8 Ų62.873%0.73233%0.329SS*.SBendtrans61.75.6-177.900000115.5P292P292-G294 PolarHBondContact O-N 3.02Å
295T68.6Low82.7Confident106 Ų10665.1 Ų65.165%0.6535%0.346SS*.SBendtrans-132.9-169.1-176.352.40000109.5P293 S297P293-T295 PolarHBondContact O-N 3.37Å; P293-T295 PolarHBondContact O-OG1 3.04Å; T295-S297 PolarHBondContact O-N 3.01Å
296K71.8Confident83.4Confident208 Ų20868 Ų6890%0.90436%0.355SS*.SBendtrans-52.8110.2173.6-71.2-170.9178.4-172.90109.4
297S81.8Confident83.9Confident16 Ų1668.3 Ų68.311%0.11236%0.361CS..  trans-111.3103.8-169.4-1790000109.6P293 T295 L299 L300 E301P293-S297 WeakPolarHBondContact CD-OG 3.36Å; T295-S297 PolarHBondContact O-N 3.01Å; S297-L299 PolarHBondContact O-N 3.34Å; S297-L300 PolarHBondContact O-N 3.2Å; S297-L300 WeakPolarHBondContact OG-CB 3.4Å; S297-L300 PolarHBondContact OG-N 2.96Å; S297-E301 WeakPolarHBondContact O-CB 3.37Å; S297-E301 PolarHBondContact O-N 3.27Å
298R83.8Confident84.2Confident201 Ų20168.8 Ų68.876%0.75836%0.364SS*.Hα-helixtrans-61-33.8169.1-69.5-173.2179.6179.8-0.9111.5L300 E301 D302R298-L300 PolarHBondContact O-N 3.45Å; R298-E301 PolarHBondContact O-N 3.4Å; R298-D302 VanDerWaalsContact O-CB 3.26Å; R298-D302 WeakPolarHBondContact O-CB 3.14Å; R298-D302 PolarHBondContact O-N 2.05Å
299L83.3Confident84.5Confident83 Ų8365.7 Ų65.744%0.43535%0.35SS..Hα-helixtrans-59.8-47.8175.6-172.1163000111.1L290 S297 D302 E303L290-L299 HydrophobicContact CD2-CD2 3.9Å; S297-L299 PolarHBondContact O-N 3.34Å; L299-D302 PolarHBondContact O-N 3.49Å; L299-E303 HydrophobicContact CD2-CG 4.36Å; L299-E303 WeakPolarHBondContact O-CG 3.23Å; L299-E303 PolarHBondContact O-N 3.39Å; L299-E303 VanDerWaalsContact O-N 3.11Å
300L88Confident84.9Confident23 Ų2363.2 Ų63.212%0.1234%0.34CS..Hα-helixtrans-67.7-40.7179.4-173.863.3000111L290 P292 S297 R298 E303 L304 L505L290-L300 HydrophobicContact CD1-CD1 3.98Å; P292-L300 HydrophobicContact CB-CB 4.41Å; S297-L300 PolarHBondContact O-N 3.2Å; S297-L300 WeakPolarHBondContact OG-CB 3.4Å; S297-L300 PolarHBondContact OG-N 2.96Å; R298-L300 PolarHBondContact O-N 3.45Å; L300-E303 PolarHBondContact O-N 2.7Å; L300-L304 HydrophobicContact CD1-CD1 4.02Å; L300-L304 HydrophobicContact CD1-CG 4.04Å; L300-L304 HydrophobicContact CD2-CD1 4.33Å; L300-L304 HydrophobicContact CG-CD1 3.76Å; L300-L304 HydrophobicContact CG-CG 4.15Å; L300-L304 WeakPolarHBondContact O-CB 3.27Å; L300-L304 VanDerWaalsContact O-CG 3.22Å; L300-L304 WeakPolarHBondContact O-CG 3.48Å; L300-L304 PolarHBondContact O-N 3.09Å; L300-L505 HydrophobicContact CD2-CD2 3.97Å
301E88.8Confident85.2Confident109 Ų10963 Ų6351%0.50934%0.339SS..Hα-helixtrans-59.5-49174.5-176.9178.7-165.800111.7S297 R298 E303 L304 T305S297-E301 WeakPolarHBondContact O-CB 3.37Å; S297-E301 PolarHBondContact O-N 3.27Å; R298-E301 PolarHBondContact O-N 3.4Å; E301-E303 PolarHBondContact O-N 3.21Å; E301-L304 PolarHBondContact O-N 3.01Å; E301-T305 HydrophobicContact CG-CG2 4.25Å; E301-T305 WeakPolarHBondContact O-CB 3.32Å; E301-T305 WeakPolarHBondContact O-CG2 3.31Å; E301-T305 PolarHBondContact O-N 3.41Å; E301-T305 PolarHBondContact O-OG1 3.46Å
302D89.6Confident85.7Confident94 Ų9461.4 Ų61.450%0.50333%0.329SS..Hα-helixtrans-60.2-33178.3-69.5-21.8000111.7R298 L299 T305 K306R298-D302 VanDerWaalsContact O-CB 3.26Å; R298-D302 WeakPolarHBondContact O-CB 3.14Å; R298-D302 PolarHBondContact O-N 2.05Å; L299-D302 PolarHBondContact O-N 3.49Å; D302-T305 PolarHBondContact O-OG1 3.13Å; D302-T305 VanDerWaalsContact O-OG1 3.1Å; D302-K306 WeakPolarHBondContact O-CE 3.5Å; D302-K306 VanDerWaalsContact O-CG 3.32Å; D302-K306 WeakPolarHBondContact O-CG 3.44Å
303E89.6Confident86.1Confident31 Ų3160.9 Ų60.915%0.14533%0.326CS..Hα-helixtrans-81.6-39.5176.5-67.3-52.1138.800113.5L290 L299 L300 E301 K306 Y495L290-E303 HydrophobicContact CD2-CG 3.98Å; L299-E303 HydrophobicContact CD2-CG 4.36Å; L299-E303 WeakPolarHBondContact O-CG 3.23Å; L299-E303 PolarHBondContact O-N 3.39Å; L299-E303 VanDerWaalsContact O-N 3.11Å; L300-E303 PolarHBondContact O-N 2.7Å; E301-E303 PolarHBondContact O-N 3.21Å; E303-K306 PolarHBondContact O-N 3.2Å; E303-K306 IonicContact OE1-NZ 2.74Å; E303-K306 PolarHBondContact OE1-NZ 3.02Å; E303-K306 WeakPolarHBondContact OE2-CE 3.46Å; E303-K306 IonicContact OE2-NZ 3.74Å; E303-K306 PolarHBondContact OE2-NZ 3.22Å; E303-Y495 HydrophobicContact CB-CE1 4.39Å; E303-Y495 HydrophobicContact CG-CE1 4.46Å; E303-Y495 PolarHBondContact OE2-OH 3.4Å; E303-Y495 VanDerWaalsContact OE2-OH 3.1Å
304L90.4Very high87.2Confident19 Ų1957 Ų5710%0.09930%0.301CS..Hα-helixtrans-75.5-25.8-179.9-67.9-178.8000113.1L300 E301 K306 G307 A309 V524 L526L300-L304 HydrophobicContact CD1-CD1 4.02Å; L300-L304 HydrophobicContact CD1-CG 4.04Å; L300-L304 HydrophobicContact CD2-CD1 4.33Å; L300-L304 HydrophobicContact CG-CD1 3.76Å; L300-L304 HydrophobicContact CG-CG 4.15Å; L300-L304 WeakPolarHBondContact O-CB 3.27Å; L300-L304 VanDerWaalsContact O-CG 3.22Å; L300-L304 WeakPolarHBondContact O-CG 3.48Å; L300-L304 PolarHBondContact O-N 3.09Å; E301-L304 PolarHBondContact O-N 3.01Å; L304-K306 PolarHBondContact O-N 3.21Å; L304-G307 PolarHBondContact O-N 3.15Å; L304-A309 HydrophobicContact CD2-CB 3.41Å; L304-A309 VanDerWaalsContact CD2-CB 3.41Å; L304-V524 HydrophobicContact CD1-CG1 4.26Å; L304-V524 HydrophobicContact CD2-CB 4.36Å; L304-V524 HydrophobicContact CD2-CG1 4.36Å; L304-L526 HydrophobicContact CB-CB 4.28Å; L304-L526 HydrophobicContact CB-CD2 4.07Å
305T92Very high88.2Confident86 Ų8656.3 Ų56.353%0.52828%0.283SS..THydrogen-bonded Turntrans-68.7-21.8174.148.60000112.6E301 D302 G307 L526E301-T305 HydrophobicContact CG-CG2 4.25Å; E301-T305 WeakPolarHBondContact O-CB 3.32Å; E301-T305 WeakPolarHBondContact O-CG2 3.31Å; E301-T305 PolarHBondContact O-N 3.41Å; E301-T305 PolarHBondContact O-OG1 3.46Å; D302-T305 PolarHBondContact O-OG1 3.13Å; D302-T305 VanDerWaalsContact O-OG1 3.1Å; T305-G307 PolarHBondContact O-N 3.15Å; T305-L526 HydrophobicContact CG2-CD2 3.77Å
306K91.1Very high89.2Confident99 Ų9953 Ų5343%0.4326%0.26SS..THydrogen-bonded Turntrans-73.2-9.1178.7-60.3172.6-170.5171.10114D302 E303 L304 R493D302-K306 WeakPolarHBondContact O-CE 3.5Å; D302-K306 VanDerWaalsContact O-CG 3.32Å; D302-K306 WeakPolarHBondContact O-CG 3.44Å; E303-K306 PolarHBondContact O-N 3.2Å; E303-K306 IonicContact OE1-NZ 2.74Å; E303-K306 PolarHBondContact OE1-NZ 3.02Å; E303-K306 WeakPolarHBondContact OE2-CE 3.46Å; E303-K306 IonicContact OE2-NZ 3.74Å; E303-K306 PolarHBondContact OE2-NZ 3.22Å; L304-K306 PolarHBondContact O-N 3.21Å; K306-R493 PolarHBondContact O-NE 3.17Å; K306-R493 PolarHBondContact O-NH2 3.32Å
307G91Very high90Very high19 Ų1946.2 Ų46.220%0.19623%0.234CC..SBendtrans139.3-176177.400000113.6L304 T305 A309L304-G307 PolarHBondContact O-N 3.15Å; T305-G307 PolarHBondContact O-N 3.15Å; G307-A309 PolarHBondContact O-N 3.36Å
308P93.2Very high90.3Very high17 Ų1746.1 Ų46.111%0.1123%0.232CC..  trans-56.9133.5177.8-23.733.9000112.7L492 R493 V524 F553P308-L492 HydrophobicContact CB-CD2 3.9Å; P308-R493 PolarHBondContact O-N 2.86Å; P308-V524 WeakPolarHBondContact CA-O 3.34Å; P308-F553 HydrophobicContact CB-CE1 3.85Å; P308-F553 HydrophobicContact CB-CZ 3.56Å; P308-F553 HydrophobicContact CG-CE1 4.18Å; P308-F553 HydrophobicContact CG-CZ 3.83Å
309A95Very high90.4Very high0 Ų039.4 Ų39.40%021%0.212CC..EExtended strand (participates in β ladder)trans-122.8121.7-173.900000110.8L304 G307 L311 R493 Y495 I523 V524L304-A309 HydrophobicContact CD2-CB 3.41Å; L304-A309 VanDerWaalsContact CD2-CB 3.41Å; G307-A309 PolarHBondContact O-N 3.36Å; A309-L311 HydrophobicContact CB-CD2 4.05Å; A309-R493 CarbonylContact C-O 3.47Å; A309-Y495 HydrophobicContact CB-CD2 3.76Å; A309-Y495 HydrophobicContact CB-CE2 3.64Å; A309-I523 CarbonylContact O-C 3.57Å; A309-I523 WeakPolarHBondContact O-CA 3.22Å; A309-V524 PolarHBondContact N-O 3.38Å; A309-V524 PolarHBondContact O-N 3.33Å
310L95.4Very high90.5Very high0 Ų041.6 Ų41.60%022%0.218CC..EExtended strand (participates in β ladder)trans-85.6112.4168-177.768.3000108.6F329 R493 F494 Y495 V521 I523 F549 I550L310-F329 HydrophobicContact CD2-CE2 3.61Å; L310-F329 HydrophobicContact CD2-CZ 3.86Å; L310-F329 HydrophobicContact CG-CE2 4.13Å; L310-F329 HydrophobicContact CG-CZ 4.1Å; L310-R493 PolarHBondContact N-O 2.97Å; L310-F494 HydrophobicContact CD2-CD1 3.7Å; L310-F494 HydrophobicContact CD2-CE1 3.51Å; L310-F494 HydrophobicContact CD2-CZ 4.28Å; L310-Y495 PolarHBondContact O-N 3.12Å; L310-V521 HydrophobicContact CD1-CG1 3.6Å; L310-V521 HydrophobicContact CG-CG1 4.44Å; L310-I523 HydrophobicContact CB-CG1 4.32Å; L310-I523 HydrophobicContact CD1-CD1 4.14Å; L310-I523 HydrophobicContact CD1-CG1 3.4Å; L310-I523 HydrophobicContact CG-CG1 4.46Å; L310-F549 HydrophobicContact CD1-CD1 4.12Å; L310-F549 HydrophobicContact CD1-CE1 3.87Å; L310-I550 HydrophobicContact CD2-CD1 3.97Å; L310-I550 HydrophobicContact CD2-CG1 4.08Å
311L94.9Very high89.6Confident3 Ų348.8 Ų48.82%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-102.2119.2-179.1-52.4-174.8000109.5A309 F313 Y495 L497 L509 V521 A522 V524A309-L311 HydrophobicContact CB-CD2 4.05Å; L311-F313 HydrophobicContact CB-CD2 4.39Å; L311-F313 HydrophobicContact CB-CE2 3.78Å; L311-F313 HydrophobicContact CD1-CE2 4.31Å; L311-F313 HydrophobicContact CD1-CZ 4.41Å; L311-Y495 HydrophobicContact CD2-CD2 3.85Å; L311-Y495 HydrophobicContact CD2-CG 4.2Å; L311-L497 HydrophobicContact CB-CD1 4.04Å; L311-L497 HydrophobicContact CD2-CD1 4.15Å; L311-L497 HydrophobicContact CG-CD1 4.49Å; L311-L509 HydrophobicContact CD1-CD1 4.06Å; L311-V521 WeakPolarHBondContact O-CA 3.23Å; L311-A522 PolarHBondContact N-O 2.78Å; L311-A522 PolarHBondContact O-N 2.86Å; L311-V524 HydrophobicContact CD1-CG2 3.73Å; L311-V524 HydrophobicContact CG-CG2 4.28Å
312L93.8Very high88.8Confident9 Ų946.7 Ų46.75%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-101.1118.3169.1171.864.3000109.5M314 F329 Y495 V496 L497 V521L312-M314 HydrophobicContact CD2-SD 4.11Å; L312-M314 HydrophobicContact CG-CB 4.44Å; L312-M314 HydrophobicContact CG-CG 4.5Å; L312-F329 HydrophobicContact CB-CD2 4.39Å; L312-F329 HydrophobicContact CB-CE1 4.12Å; L312-F329 HydrophobicContact CB-CE2 4.01Å; L312-F329 HydrophobicContact CB-CZ 3.85Å; L312-F329 HydrophobicContact CD2-CB 3.87Å; L312-F329 HydrophobicContact CD2-CD1 3.91Å; L312-F329 HydrophobicContact CD2-CD2 3.89Å; L312-F329 HydrophobicContact CD2-CE1 4.37Å; L312-F329 HydrophobicContact CD2-CE2 4.36Å; L312-F329 HydrophobicContact CD2-CG 3.63Å; L312-Y495 PolarHBondContact N-O 3.06Å; L312-V496 HydrophobicContact CB-CG2 4.35Å; L312-V496 HydrophobicContact CD2-CG2 4.26Å; L312-V496 CarbonylContact O-C 3.52Å; L312-V496 WeakPolarHBondContact O-CA 3.4Å; L312-L497 PolarHBondContact O-N 3.17Å; L312-V521 HydrophobicContact CD1-CG2 3.52Å
313F92.3Very high88.3Confident0 Ų043.8 Ų43.80%023%0.227CC..EExtended strand (participates in β ladder)trans-97.8120169.9-63.7-101.5000108.4L311 L497 N502 L505 A506 L509 S519 F520L311-F313 HydrophobicContact CB-CD2 4.39Å; L311-F313 HydrophobicContact CB-CE2 3.78Å; L311-F313 HydrophobicContact CD1-CE2 4.31Å; L311-F313 HydrophobicContact CD1-CZ 4.41Å; F313-L497 WeakPolarHBondContact CA-O 3.39Å; F313-L497 HydrophobicContact CD1-CB 3.87Å; F313-L497 HydrophobicContact CE1-CB 4Å; F313-L497 HydrophobicContact CE1-CD1 4.39Å; F313-L497 HydrophobicContact CE1-CD2 4Å; F313-L497 HydrophobicContact CE1-CG 4.35Å; F313-L497 HydrophobicContact CE2-CD1 4.46Å; F313-L497 HydrophobicContact CG-CB 4.44Å; F313-L497 HydrophobicContact CZ-CD1 4.25Å; F313-L497 HydrophobicContact CZ-CD2 4.3Å; F313-N502 HydrophobicContact CD1-CB 4.35Å; F313-N502 HydrophobicContact CE1-CB 4.08Å; F313-L505 HydrophobicContact CE1-CB 4.35Å; F313-L505 HydrophobicContact CE1-CD2 4.26Å; F313-L505 HydrophobicContact CE1-CG 4.3Å; F313-L505 HydrophobicContact CZ-CD2 4.07Å; F313-L505 HydrophobicContact CZ-CG 4.05Å; F313-A506 HydrophobicContact CD1-CB 3.86Å; F313-A506 HydrophobicContact CD2-CB 4.49Å; F313-A506 HydrophobicContact CE1-CB 3.96Å; F313-A506 HydrophobicContact CG-CB 4.12Å; F313-A506 HydrophobicContact CZ-CB 4.33Å; F313-L509 HydrophobicContact CE2-CD1 3.99Å; F313-L509 HydrophobicContact CZ-CD1 3.94Å; F313-S519 CarbonylContact O-C 3.54Å; F313-S519 VanDerWaalsContact O-CA 3.23Å; F313-S519 WeakPolarHBondContact O-CA 3.5Å; F313-F520 HydrophobicContact CB-CB 4.15Å; F313-F520 WeakPolarHBondContact CB-O 3.4Å; F313-F520 AromaticContact CD2-CD1 3.57Å; F313-F520 HydrophobicContact CD2-CD1 3.57Å; F313-F520 HydrophobicContact CD2-CE1 4.27Å; F313-F520 AromaticContact CE2-CD1 3.99Å; F313-F520 HydrophobicContact CE2-CD1 3.99Å; F313-F520 HydrophobicContact CE2-CE1 4.25Å; F313-F520 HydrophobicContact CG-CD1 4.21Å; F313-F520 PolarHBondContact N-O 3.17Å; F313-F520 PolarHBondContact O-N 2.97Å
314M90Very high87.9Confident4 Ų446.3 Ų46.32%0.0225%0.246CC..EExtended strand (participates in β ladder)trans-142.1152.118064.5173.9-67.400111.7L312 H316 Y323 L325 H326 V496 L497 D498 I499L312-M314 HydrophobicContact CD2-SD 4.11Å; L312-M314 HydrophobicContact CG-CB 4.44Å; L312-M314 HydrophobicContact CG-CG 4.5Å; M314-H316 PolarHBondContact O-N 3.5Å; M314-Y323 HydrophobicContact CE-CD1 3.66Å; M314-Y323 HydrophobicContact CE-CG 4.05Å; M314-L325 HydrophobicContact CE-CB 4.19Å; M314-H326 HydrophobicContact CE-CB 4.38Å; M314-H326 HydrophobicContact SD-CB 4.1Å; M314-V496 HydrophobicContact CG-CG1 3.9Å; M314-V496 HydrophobicContact SD-CG1 4Å; M314-L497 PolarHBondContact N-O 2.81Å; M314-L497 VanDerWaalsContact N-O 3.08Å; M314-D498 WeakPolarHBondContact O-CA 3.25Å; M314-I499 PolarHBondContact O-N 3.37Å
315P88.8Confident87.6Confident55 Ų5548.2 Ų48.236%0.35726%0.256SS..  trans-58119.9169.3-2231.4000111.4I499P315-I499 HydrophobicContact CB-CG2 4.16Å; P315-I499 HydrophobicContact CG-CG2 3.93Å
316H88.4Confident87.2Confident37 Ų3745.8 Ų45.817%0.17124%0.239CC..  trans-125112.6178-174.267.7000112.5W289 M314 Y323 D498W289-H316 HydrophobicContact CH2-CB 3.79Å; W289-H316 AromaticContact CH2-CD2 3.95Å; W289-H316 AromaticContact CH2-CE1 3.72Å; W289-H316 AromaticContact CH2-CG 3.37Å; W289-H316 AromaticContact CH2-ND1 3.24Å; W289-H316 WeakPolarHBondContact CH2-ND1 3.23Å; W289-H316 AromaticContact CZ2-CE1 3.88Å; W289-H316 AromaticContact CZ2-ND1 3.78Å; W289-H316 HydrophobicContact CZ3-CB 3.88Å; W289-H316 AromaticContact CZ3-CD2 3.94Å; W289-H316 AromaticContact CZ3-CG 3.65Å; W289-H316 AromaticContact CZ3-ND1 3.99Å; M314-H316 PolarHBondContact O-N 3.5Å; H316-Y323 AromaticContact CE1-CE2 3.76Å; H316-Y323 AromaticContact ND1-CD2 3.98Å; H316-Y323 AromaticContact ND1-CE2 3.55Å; H316-Y323 AromaticContact ND1-CZ 3.81Å; H316-D498 HydrophobicContact CB-CB 3.96Å; H316-D498 PolarHBondContact N-OD1 3.39Å; H316-D498 VanDerWaalsContact N-OD1 3.12Å
317D88.6Confident86.8Confident66 Ų6645 Ų4535%0.35324%0.242SC..  trans-99.9109.7164.1173.811.2000110.9L319 K320 Y323D317-L319 PolarHBondContact O-N 3.17Å; D317-L319 WeakPolarHBondContact OD1-CB 3.13Å; D317-L319 PolarHBondContact OD1-N 2.98Å; D317-K320 HydrophobicContact CB-CB 4.46Å; D317-K320 PolarHBondContact O-N 3.24Å; D317-Y323 WeakPolarHBondContact CA-OH 3.36Å; D317-Y323 WeakPolarHBondContact CB-OH 3.1Å; D317-Y323 PolarHBondContact N-OH 3.22Å; D317-Y323 PolarHBondContact O-OH 2.8Å
318P87.5Confident86.5Confident13 Ų1348 Ų488%0.08425%0.251CS..THydrogen-bonded Turntrans-66.7-6.7-178.131.4-39.8000114.4P162 Y163 S166P162-P318 VanDerWaalsContact C-CG 3.47Å; P162-P318 HydrophobicContact CB-CG 3.86Å; P162-P318 WeakPolarHBondContact O-CG 3.45Å; Y163-P318 HydrophobicContact CD1-CB 4.17Å; Y163-P318 HydrophobicContact CD1-CG 3.82Å; Y163-P318 HydrophobicContact CD2-CG 3.89Å; Y163-P318 HydrophobicContact CE1-CB 4.33Å; Y163-P318 HydrophobicContact CE1-CG 4.09Å; Y163-P318 HydrophobicContact CE2-CG 4.15Å; Y163-P318 HydrophobicContact CG-CG 3.71Å; S166-P318 WeakPolarHBondContact CB-O 3.46Å; S166-P318 PolarHBondContact OG-O 3.03Å
319L87.7Confident86.3Confident61 Ų6147.3 Ų47.332%0.31925%0.246SC..THydrogen-bonded Turntrans-87.6-22.5173.5-60175.4000112.8P162 E165 L169 D317P162-L319 HydrophobicContact CB-CD1 4.02Å; P162-L319 HydrophobicContact CB-CG 4.15Å; E165-L319 HydrophobicContact CB-CD2 4Å; E165-L319 HydrophobicContact CG-CD1 4.48Å; E165-L319 HydrophobicContact CG-CD2 3.74Å; L169-L319 HydrophobicContact CD1-CD2 4.23Å; D317-L319 PolarHBondContact O-N 3.17Å; D317-L319 WeakPolarHBondContact OD1-CB 3.13Å; D317-L319 PolarHBondContact OD1-N 2.98Å
320K84.4Confident85.8Confident129 Ų12947.4 Ų47.456%0.56125%0.247SC*.SBendtrans-73.8142.6178.3-161.6175.8179.5174.60110.7D317 Y323D317-K320 HydrophobicContact CB-CB 4.46Å; D317-K320 PolarHBondContact O-N 3.24Å; K320-Y323 HydrophobicContact CB-CE2 4.04Å; K320-Y323 WeakPolarHBondContact CB-OH 3.41Å; K320-Y323 HydrophobicContact CD-CE1 4.16Å
321K70.2Confident85.3Confident173 Ų17350.6 Ų50.675%0.75227%0.265SS*.SBendtrans-77.6-27.9-174.2-74.3-178.9-178.2176.10114.5K190K190-K321 WeakPolarHBondContact CE-O 3.21Å; K190-K321 PolarHBondContact NZ-O 3.33Å
322S70.4Confident85Confident65 Ų6550.5 Ų50.546%0.45526%0.264SS..  trans-152.3148-174-167.80000112.2
323Y79.3Confident84.7Confident33 Ų3350.1 Ų50.113%0.12926%0.262CS..  trans-132.2100.8-179.4-74.3-79.5000109M314 H316 D317 K320 L325 H326 V327M314-Y323 HydrophobicContact CE-CD1 3.66Å; M314-Y323 HydrophobicContact CE-CG 4.05Å; H316-Y323 AromaticContact CE1-CE2 3.76Å; H316-Y323 AromaticContact ND1-CD2 3.98Å; H316-Y323 AromaticContact ND1-CE2 3.55Å; H316-Y323 AromaticContact ND1-CZ 3.81Å; D317-Y323 WeakPolarHBondContact CA-OH 3.36Å; D317-Y323 WeakPolarHBondContact CB-OH 3.1Å; D317-Y323 PolarHBondContact N-OH 3.22Å; D317-Y323 PolarHBondContact O-OH 2.8Å; K320-Y323 HydrophobicContact CB-CE2 4.04Å; K320-Y323 WeakPolarHBondContact CB-OH 3.41Å; K320-Y323 HydrophobicContact CD-CE1 4.16Å; Y323-L325 VanDerWaalsContact C-N 3.33Å; Y323-L325 PolarHBondContact O-N 3.23Å; Y323-H326 WeakPolarHBondContact O-CB 3.1Å; Y323-H326 PolarHBondContact O-N 3.14Å; Y323-H326 VanDerWaalsContact O-N 3.11Å; Y323-V327 PolarHBondContact O-N 2.69Å; Y323-V327 VanDerWaalsContact O-N 3.13Å
324P81.9Confident84.4Confident84 Ų8451.3 Ų51.355%0.54527%0.269SS..Hα-helixtrans-53.4-47.2-178.7-27.735.4000113H326 V327 E328P324-H326 VanDerWaalsContact C-N 3.3Å; P324-H326 PolarHBondContact O-N 2.92Å; P324-V327 WeakPolarHBondContact O-CB 3.43Å; P324-V327 PolarHBondContact O-N 2.85Å; P324-E328 PolarHBondContact O-N 2.97Å
325L83.8Confident84.2Confident59 Ų5954.8 Ų54.831%0.30928%0.282SS..Hα-helixtrans-57.6-38.4177.5-67.5174000113.5M314 Y323 F329 L542M314-L325 HydrophobicContact CE-CB 4.19Å; Y323-L325 VanDerWaalsContact C-N 3.33Å; Y323-L325 PolarHBondContact O-N 3.23Å; L325-F329 VanDerWaalsContact O-CB 3.26Å; L325-F329 WeakPolarHBondContact O-CB 3.38Å; L325-F329 PolarHBondContact O-N 3.3Å; L325-L542 HydrophobicContact CD2-CD1 3.77Å
326H84.6Confident84.1Confident36 Ų3652.1 Ų52.117%0.16727%0.265CS..Hα-helixtrans-68.4-38.9176.1177.5-78000111.3W289 M314 Y323 P324 A330W289-H326 AromaticContact CE2-CD2 3.92Å; W289-H326 AromaticContact CE2-NE2 3.86Å; W289-H326 AromaticContact CZ2-CD2 3.5Å; W289-H326 VanDerWaalsContact CZ2-CD2 3.5Å; W289-H326 WeakPolarHBondContact CZ2-CD2 3.36Å; W289-H326 AromaticContact CZ2-NE2 3.89Å; W289-H326 AromaticContact NE1-CD2 3.84Å; W289-H326 AromaticContact NE1-NE2 3.28Å; W289-H326 PolarHBondContact NE1-NE2 3.38Å; M314-H326 HydrophobicContact CE-CB 4.38Å; M314-H326 HydrophobicContact SD-CB 4.1Å; Y323-H326 WeakPolarHBondContact O-CB 3.1Å; Y323-H326 PolarHBondContact O-N 3.14Å; Y323-H326 VanDerWaalsContact O-N 3.11Å; P324-H326 VanDerWaalsContact C-N 3.3Å; P324-H326 PolarHBondContact O-N 2.92Å; H326-A330 VanDerWaalsContact O-CB 3.25Å; H326-A330 WeakPolarHBondContact O-CB 3.47Å; H326-A330 PolarHBondContact O-N 3.36Å
327V82.6Confident83.9Confident82 Ų8252.6 Ų52.650%0.49727%0.267SS..Hα-helixtrans-66.7-43.4178.4176.80000110.6Y323 P324 A330 D331Y323-V327 PolarHBondContact O-N 2.69Å; Y323-V327 VanDerWaalsContact O-N 3.13Å; P324-V327 WeakPolarHBondContact O-CB 3.43Å; P324-V327 PolarHBondContact O-N 2.85Å; V327-A330 PolarHBondContact O-N 3.37Å; V327-D331 WeakPolarHBondContact O-CB 3.33Å; V327-D331 PolarHBondContact O-N 3.49Å
328E84.8Confident83.7Confident82 Ų8251 Ų5138%0.38326%0.261SS..Hα-helixtrans-61.7-47.2174.9-71.9168.3-162.400111.5P324 A330 D331 I332 T543P324-E328 PolarHBondContact O-N 2.97Å; E328-A330 VanDerWaalsContact C-N 3.34Å; E328-A330 PolarHBondContact O-N 3.06Å; E328-D331 WeakPolarHBondContact O-CB 3.34Å; E328-D331 PolarHBondContact O-N 3.44Å; E328-D331 VanDerWaalsContact O-N 3.17Å; E328-I332 WeakPolarHBondContact O-CG1 3.16Å; E328-I332 PolarHBondContact O-N 2.98Å; E328-T543 HydrophobicContact CB-CG2 4.09Å; E328-T543 HydrophobicContact CG-CG2 4.31Å
329F88.1Confident83.2Confident2 Ų252.6 Ų52.61%0.00927%0.272CS..Hα-helixtrans-61.9-41.6177.1-172.1-107.7000112.3V287 L310 L312 L325 D331 I332 A333 F494 V496 L546V287-F329 HydrophobicContact CG1-CD1 4.03Å; V287-F329 HydrophobicContact CG1-CE1 4.04Å; V287-F329 HydrophobicContact CG2-CD1 4.01Å; V287-F329 HydrophobicContact CG2-CE1 4.25Å; L310-F329 HydrophobicContact CD2-CE2 3.61Å; L310-F329 HydrophobicContact CD2-CZ 3.86Å; L310-F329 HydrophobicContact CG-CE2 4.13Å; L310-F329 HydrophobicContact CG-CZ 4.1Å; L312-F329 HydrophobicContact CB-CD2 4.39Å; L312-F329 HydrophobicContact CB-CE1 4.12Å; L312-F329 HydrophobicContact CB-CE2 4.01Å; L312-F329 HydrophobicContact CB-CZ 3.85Å; L312-F329 HydrophobicContact CD2-CB 3.87Å; L312-F329 HydrophobicContact CD2-CD1 3.91Å; L312-F329 HydrophobicContact CD2-CD2 3.89Å; L312-F329 HydrophobicContact CD2-CE1 4.37Å; L312-F329 HydrophobicContact CD2-CE2 4.36Å; L312-F329 HydrophobicContact CD2-CG 3.63Å; L325-F329 VanDerWaalsContact O-CB 3.26Å; L325-F329 WeakPolarHBondContact O-CB 3.38Å; L325-F329 PolarHBondContact O-N 3.3Å; F329-D331 VanDerWaalsContact C-N 3.34Å; F329-I332 PolarHBondContact O-N 3.19Å; F329-A333 WeakPolarHBondContact O-CB 3.45Å; F329-A333 PolarHBondContact O-N 3.25Å; F329-F494 HydrophobicContact CE1-CB 3.89Å; F329-F494 AromaticContact CE1-CD1 3.9Å; F329-F494 HydrophobicContact CE1-CD1 3.9Å; F329-F494 HydrophobicContact CE1-CG 4.41Å; F329-F494 AromaticContact CE2-CD1 3.96Å; F329-F494 HydrophobicContact CE2-CD1 3.96Å; F329-F494 HydrophobicContact CE2-CE1 4.49Å; F329-F494 HydrophobicContact CZ-CB 4.11Å; F329-F494 AromaticContact CZ-CD1 3.55Å; F329-F494 HydrophobicContact CZ-CD1 3.55Å; F329-F494 HydrophobicContact CZ-CE1 4.47Å; F329-F494 HydrophobicContact CZ-CG 4.29Å; F329-V496 HydrophobicContact CD1-CG2 3.91Å; F329-V496 HydrophobicContact CE1-CG2 3.88Å; F329-L546 HydrophobicContact CD2-CD1 4.37Å
330A84.9Confident82Confident2 Ų257.1 Ų57.12%0.01729%0.291CS..Hα-helixtrans-65.9-34.817500000112.5E192 V287 H326 V327 E328 A333 V334E192-A330 WeakPolarHBondContact OE1-CB 3.44Å; V287-A330 HydrophobicContact CG2-CB 4.09Å; H326-A330 VanDerWaalsContact O-CB 3.25Å; H326-A330 WeakPolarHBondContact O-CB 3.47Å; H326-A330 PolarHBondContact O-N 3.36Å; V327-A330 PolarHBondContact O-N 3.37Å; E328-A330 VanDerWaalsContact C-N 3.34Å; E328-A330 PolarHBondContact O-N 3.06Å; A330-A333 PolarHBondContact O-N 3.27Å; A330-V334 VanDerWaalsContact O-CG2 3.27Å; A330-V334 WeakPolarHBondContact O-CG2 3.47Å; A330-V334 PolarHBondContact O-N 2.94Å
331D84.4Confident80.1Confident68 Ų6860.4 Ų60.436%0.36430%0.3SS..Hα-helixtrans-65.8-45.6173.8-175.974.5000112V327 E328 F329 A333 V334 R335V327-D331 WeakPolarHBondContact O-CB 3.33Å; V327-D331 PolarHBondContact O-N 3.49Å; E328-D331 WeakPolarHBondContact O-CB 3.34Å; E328-D331 PolarHBondContact O-N 3.44Å; E328-D331 VanDerWaalsContact O-N 3.17Å; F329-D331 VanDerWaalsContact C-N 3.34Å; D331-A333 VanDerWaalsContact C-N 3.3Å; D331-A333 PolarHBondContact O-N 2.99Å; D331-V334 PolarHBondContact O-N 2.94Å; D331-V334 VanDerWaalsContact O-N 3.14Å; D331-R335 PolarHBondContact O-N 3.38Å; D331-R335 IonicContact OD2-CZ 3.11Å; D331-R335 IonicContact OD2-NE 2.72Å; D331-R335 PolarHBondContact OD2-NE 3.11Å; D331-R335 IonicContact OD2-NH2 2.94Å
332I88.3Confident78.5Confident1 Ų158.3 Ų58.31%0.00531%0.307CS..Hα-helixtrans-58-45.4174-64.9170.2000110.4E328 F329 V334 R335 Y336 F494 T543 L546 I550E328-I332 WeakPolarHBondContact O-CG1 3.16Å; E328-I332 PolarHBondContact O-N 2.98Å; F329-I332 PolarHBondContact O-N 3.19Å; I332-V334 VanDerWaalsContact C-N 3.32Å; I332-V334 PolarHBondContact O-N 3.23Å; I332-R335 PolarHBondContact O-N 2.96Å; I332-Y336 WeakPolarHBondContact O-CB 3.31Å; I332-Y336 PolarHBondContact O-N 3.4Å; I332-F494 HydrophobicContact CG2-CE1 4.4Å; I332-T543 HydrophobicContact CD1-CG2 4.16Å; I332-L546 HydrophobicContact CD1-CB 3.99Å; I332-L546 HydrophobicContact CD1-CD1 3.97Å; I332-I550 HydrophobicContact CG2-CD1 3.58Å
333A88.6Confident76.6Confident0 Ų059.2 Ų59.20%031%0.314CS..Hα-helixtrans-61.2-42177.500000111.2V286 V287 F329 A330 D331 Y336 H337 F494V286-A333 HydrophobicContact CB-CB 4.28Å; V286-A333 HydrophobicContact CG1-CB 3.58Å; V287-A333 HydrophobicContact CG2-CB 3.77Å; F329-A333 WeakPolarHBondContact O-CB 3.45Å; F329-A333 PolarHBondContact O-N 3.25Å; A330-A333 PolarHBondContact O-N 3.27Å; D331-A333 VanDerWaalsContact C-N 3.3Å; D331-A333 PolarHBondContact O-N 2.99Å; A333-Y336 PolarHBondContact O-N 2.69Å; A333-H337 PolarHBondContact O-CD2 3.34Å; A333-H337 PolarHBondContact O-N 3.4Å; A333-F494 HydrophobicContact CB-CB 4.19Å; A333-F494 HydrophobicContact CB-CD1 3.59Å; A333-F494 HydrophobicContact CB-CD2 4Å; A333-F494 HydrophobicContact CB-CE1 3.91Å; A333-F494 HydrophobicContact CB-CE2 4.31Å; A333-F494 HydrophobicContact CB-CG 3.66Å; A333-F494 HydrophobicContact CB-CZ 4.28Å
334V84.8Confident74.8Confident25 Ų2563 Ų6315%0.15235%0.352CS..Hα-helixtrans-60.9-48.6174.81690000111.3F257 V286 A330 D331 I332 Y336 H337 S338F257-V334 HydrophobicContact CE1-CB 4.26Å; F257-V334 HydrophobicContact CE1-CG1 3.8Å; F257-V334 HydrophobicContact CE1-CG2 4.43Å; F257-V334 WeakPolarHBondContact CE1-O 3.49Å; F257-V334 HydrophobicContact CZ-CB 4.19Å; F257-V334 HydrophobicContact CZ-CG1 4.19Å; F257-V334 HydrophobicContact CZ-CG2 3.99Å; V286-V334 HydrophobicContact CG1-CG2 4.47Å; V286-V334 HydrophobicContact CG2-CG2 3.96Å; A330-V334 VanDerWaalsContact O-CG2 3.27Å; A330-V334 WeakPolarHBondContact O-CG2 3.47Å; A330-V334 PolarHBondContact O-N 2.94Å; D331-V334 PolarHBondContact O-N 2.94Å; D331-V334 VanDerWaalsContact O-N 3.14Å; I332-V334 VanDerWaalsContact C-N 3.32Å; I332-V334 PolarHBondContact O-N 3.23Å; V334-Y336 VanDerWaalsContact C-N 3.31Å; V334-Y336 PolarHBondContact O-N 3.49Å; V334-H337 CarbonylContact O-C 3.56Å; V334-H337 PolarHBondContact O-N 3.26Å; V334-S338 VanDerWaalsContact O-CB 3.32Å; V334-S338 WeakPolarHBondContact O-CB 3.34Å; V334-S338 PolarHBondContact O-N 3.05Å; V334-S338 PolarHBondContact O-OG 2.99Å
335R85.5Confident72.6Confident77 Ų7766 Ų6629%0.29136%0.363SS..Hα-helixtrans-60.4-40.9176.9-69.6-171.8-77.4136.33.7111.6D331 I332 H337 S338 M482 G483 E547D331-R335 PolarHBondContact O-N 3.38Å; D331-R335 IonicContact OD2-CZ 3.11Å; D331-R335 IonicContact OD2-NE 2.72Å; D331-R335 PolarHBondContact OD2-NE 3.11Å; D331-R335 IonicContact OD2-NH2 2.94Å; I332-R335 PolarHBondContact O-N 2.96Å; R335-H337 VanDerWaalsContact C-N 3.34Å; R335-H337 PolarHBondContact O-N 3.35Å; R335-S338 WeakPolarHBondContact CA-OG 3.22Å; R335-S338 PolarHBondContact O-N 3Å; R335-S338 PolarHBondContact O-OG 3.19Å; R335-M482 CarbonylContact O-C 3.58Å; R335-M482 VanDerWaalsContact O-CA 3.24Å; R335-M482 WeakPolarHBondContact O-CA 3.1Å; R335-G483 PolarHBondContact O-N 3.32Å; R335-E547 IonicContact CZ-OE1 3.9Å; R335-E547 IonicContact NH1-OE1 3.12Å; R335-E547 PolarHBondContact NH1-OE1 3.28Å; R335-E547 IonicContact NH1-OE2 2.77Å; R335-E547 IonicContact NH2-OE1 2.62Å; R335-E547 PolarHBondContact NH2-OE1 2.87Å
336Y87.7Confident70.2Confident0 Ų070 Ų700%039%0.385CS..Hα-helixtrans-60.4-42.3177.1178.4-97.1000112.8I332 A333 V334 I481 G483 L484 H485 R490 T491 L492 F494 I550I332-Y336 WeakPolarHBondContact O-CB 3.31Å; I332-Y336 PolarHBondContact O-N 3.4Å; A333-Y336 PolarHBondContact O-N 2.69Å; V334-Y336 VanDerWaalsContact C-N 3.31Å; V334-Y336 PolarHBondContact O-N 3.49Å; Y336-I481 HydrophobicContact CD2-CG2 4.09Å; Y336-I481 HydrophobicContact CG-CG2 4.47Å; Y336-G483 CarbonylContact O-C 3.53Å; Y336-L484 HydrophobicContact CD2-CB 3.75Å; Y336-L484 HydrophobicContact CD2-CD2 4.17Å; Y336-L484 HydrophobicContact CD2-CG 4.37Å; Y336-L484 HydrophobicContact CE2-CB 3.75Å; Y336-L484 HydrophobicContact CE2-CD2 3.92Å; Y336-L484 HydrophobicContact CE2-CG 3.99Å; Y336-L484 PolarHBondContact O-N 3.36Å; Y336-H485 HydrophobicContact CD1-CB 3.87Å; Y336-H485 HydrophobicContact CE1-CB 3.59Å; Y336-H485 AromaticContact CE1-ND1 3.73Å; Y336-H485 WeakPolarHBondContact O-CB 3.36Å; Y336-H485 PolarHBondContact O-N 2.95Å; Y336-H485 VanDerWaalsContact O-N 3.11Å; Y336-R490 PolarHBondContact OH-O 2.77Å; Y336-T491 WeakPolarHBondContact OH-CA 3.32Å; Y336-L492 HydrophobicContact CE1-CB 4.21Å; Y336-L492 PolarHBondContact OH-N 2.97Å; Y336-F494 AromaticContact CD1-CE2 3.5Å; Y336-F494 HydrophobicContact CD1-CE2 3.5Å; Y336-F494 VanDerWaalsContact CD1-CE2 3.5Å; Y336-F494 AromaticContact CD1-CZ 3.99Å; Y336-F494 HydrophobicContact CD1-CZ 3.99Å; Y336-F494 HydrophobicContact CE1-CE2 4Å; Y336-F494 AromaticContact CG-CE2 3.93Å; Y336-F494 HydrophobicContact CG-CE2 3.93Å; Y336-F494 AromaticContact CG-CZ 3.92Å; Y336-F494 HydrophobicContact CG-CZ 3.92Å; Y336-I550 HydrophobicContact CD2-CG2 3.81Å; Y336-I550 HydrophobicContact CE2-CG2 3.96Å
337H85Confident67.7Low46 Ų4674.6 Ų74.621%0.21340%0.401CS..Hα-helixtrans-87.6-11-179.2-73.3-72.8000114.5F257 V286 A333 V334 R335 C339 H485 F494F257-H337 HydrophobicContact CE1-CB 3.88Å; F257-H337 HydrophobicContact CE2-CB 4.37Å; F257-H337 HydrophobicContact CZ-CB 3.58Å; V286-H337 HydrophobicContact CG1-CB 4.48Å; V286-H337 VanDerWaalsContact CG1-CD2 3.43Å; V286-H337 WeakPolarHBondContact CG1-CD2 3.27Å; A333-H337 PolarHBondContact O-CD2 3.34Å; A333-H337 PolarHBondContact O-N 3.4Å; V334-H337 CarbonylContact O-C 3.56Å; V334-H337 PolarHBondContact O-N 3.26Å; R335-H337 VanDerWaalsContact C-N 3.34Å; R335-H337 PolarHBondContact O-N 3.35Å; H337-C339 VanDerWaalsContact C-N 3.34Å; H337-C339 PolarHBondContact O-N 3.38Å; H337-C339 PolarHBondContact O-SG 3.27Å; H337-H485 AromaticContact CE1-CE1 3.83Å; H337-H485 AromaticContact CE1-CG 3.95Å; H337-H485 AromaticContact CE1-ND1 3.56Å; H337-H485 AromaticContact ND1-CD2 3.7Å; H337-H485 AromaticContact ND1-CE1 3.83Å; H337-H485 AromaticContact ND1-CG 3.44Å; H337-H485 AromaticContact ND1-ND1 3.53Å; H337-H485 AromaticContact ND1-NE2 3.93Å; H337-F494 AromaticContact NE2-CD2 3.81Å; H337-F494 AromaticContact NE2-CE2 3.91Å
338S83.1Confident65.1Low34 Ų3478.1 Ų78.124%0.23842%0.416CS..  trans-7585.9178.866.20000110.4V334 R335 E340 G483V334-S338 VanDerWaalsContact O-CB 3.32Å; V334-S338 WeakPolarHBondContact O-CB 3.34Å; V334-S338 PolarHBondContact O-N 3.05Å; V334-S338 PolarHBondContact O-OG 2.99Å; R335-S338 WeakPolarHBondContact CA-OG 3.22Å; R335-S338 PolarHBondContact O-N 3Å; R335-S338 PolarHBondContact O-OG 3.19Å; S338-E340 PolarHBondContact O-N 2.84Å; S338-G483 WeakPolarHBondContact O-CA 3.28Å; S338-G483 PolarHBondContact O-N 3.11Å; S338-G483 VanDerWaalsContact O-N 3.16Å
339C77.7Confident62.6Low45 Ų4578.4 Ų78.430%0.30443%0.425SS..  trans-80.6118.4173.7-52.60000108.9H337 R341 C486H337-C339 VanDerWaalsContact C-N 3.34Å; H337-C339 PolarHBondContact O-N 3.38Å; H337-C339 PolarHBondContact O-SG 3.27Å; C339-R341 PolarHBondContact O-N 2.87Å; C339-C486 HydrophobicContact CB-CB 3.67Å; C339-C486 WeakPolarHBondContact CB-SG 3.2Å; C339-C486 WeakPolarHBondContact SG-CB 3.35Å; C339-C486 CovalentContact SG-SG 2Å; C339-C486 PolarHBondContact SG-SG 3.28Å
340E62.8Low59.9Low156 Ų15687.9 Ų87.973%0.72947%0.467SS*.  trans-57.9108.6164.7-82.3-179.2147.700107.8S338 S342S338-E340 PolarHBondContact O-N 2.84Å; E340-S342 PolarHBondContact O-N 2.81Å
341R44.2Very low57.3Low198 Ų19897.1 Ų97.175%0.74750%0.503SS*.  trans-64.8129.3151.8-81.6179.9174.6161.1-0.2105.2C339 S343C339-R341 PolarHBondContact O-N 2.87Å; R341-S343 PolarHBondContact O-N 3.4Å
342S36.3Very low54.7Low129 Ų12999.2 Ų99.290%0.90252%0.518SS*.SBendtrans-59.877.3156.754.60000109.1E340E340-S342 PolarHBondContact O-N 2.81Å
343S30.6Very low52.1Low84 Ų84104.2 Ų104.259%0.58755%0.553SS**  trans-173.684.8163.660.10000104.9R341 D345R341-S343 PolarHBondContact O-N 3.4Å; S343-D345 VanDerWaalsContact C-N 3.34Å; S343-D345 PolarHBondContact O-N 3.22Å
344A41.3Very low49.6Very low112 Ų112108.1 Ų108.193%0.92657%0.573SS**  trans-61.399.116700000108
345D34.9Very low47.6Very low147 Ų147110.5 Ų110.579%0.78659%0.59SS**  trans-158.4137.4149.2-134.8-7.5000111.2S343S343-D345 VanDerWaalsContact C-N 3.34Å; S343-D345 PolarHBondContact O-N 3.22Å
346D33.8Very low45.5Very low145 Ų145109.4 Ų109.478%0.77559%0.594SS**SBendtrans65.776.1175.1-73.5-23000119.6
347R32Very low43.5Very low132 Ų132117.7 Ų117.750%0.49863%0.625SS.*  -159.2109.9126.9-104.9161.2-153.1-126.4-18.9111.5R255 R256 N258 S259 P349R255-R347 PolarHBondContact O-NH1 3.04Å; R255-R347 VanDerWaalsContact O-NH1 3.16Å; R256-R347 VanDerWaalsContact C-NH1 3.3Å; R256-R347 PolarHBondContact O-NH1 2.86Å; N258-R347 PolarHBondContact O-NH1 3.02Å; N258-R347 PolarHBondContact O-NH2 2.9Å; S259-R347 VanDerWaalsContact CA-NH2 3.28Å; R347-P349 WeakPolarHBondContact O-CD 3.24Å
348L28.7Very low41.7Very low156 Ų156118.9 Ų118.982%0.81764%0.638SS**  trans-42.8136.8168.5-71.4139.8000112.7
349P32.2Very low40.3Very low87 Ų87120.9 Ų120.957%0.56565%0.649SS**  -103.5140.2128.433.7-26.5000108R347 Y351R347-P349 WeakPolarHBondContact O-CD 3.24Å; P349-Y351 HydrophobicContact CB-CD2 3.7Å; P349-Y351 HydrophobicContact CB-CE2 4.05Å; P349-Y351 HydrophobicContact CG-CD2 3.91Å; P349-Y351 PolarHBondContact O-N 3.2Å
350F30.7Very low38.7Very low202 Ų202123.2 Ų123.289%0.88666%0.664SS**  trans-63.288164.3-85.9-92.8000108.3
351Y29.9Very low38.2Very low196 Ų196118.4 Ų118.477%0.76965%0.645SS**  trans-127.4120.9160.4-77.2-72.8000107.1P349 S353P349-Y351 HydrophobicContact CB-CD2 3.7Å; P349-Y351 HydrophobicContact CB-CE2 4.05Å; P349-Y351 HydrophobicContact CG-CD2 3.91Å; P349-Y351 PolarHBondContact O-N 3.2Å; Y351-S353 PolarHBondContact O-N 3.42Å
352T30.8Very low38.3Very low112 Ų112115.2 Ų115.269%0.68765%0.65SS**  trans-56.2108.1165.243.80000108.4L354T352-L354 PolarHBondContact O-N 3.23Å
353S33.9Very low38.8Very low105 Ų105118 Ų11873%0.73465%0.649SS**  trans-74.9121.3172.150.90000109.2Y351Y351-S353 PolarHBondContact O-N 3.42Å
354L36.7Very low39.4Very low82 Ų82116 Ų11643%0.42963%0.634SS.*  trans-97.2125.8160-82.7107000107.4T352 C372 R374T352-L354 PolarHBondContact O-N 3.23Å; L354-C372 HydrophobicContact CD2-CB 3.94Å; L354-R374 HydrophobicContact CG-CG 4.36Å
355C41.8Very low39.7Very low76 Ų76123.1 Ų123.151%0.51464%0.637SS.*EExtended strand (participates in β ladder)trans-93.8104.7171.8-159.70000107.1C372 L373C355-C372 WeakPolarHBondContact O-CA 3.35Å; C355-L373 PolarHBondContact N-O 2.03Å; C355-L373 PolarHBondContact O-N 3.32Å
356C42.3Very low40.4Very low54 Ų54119.3 Ų119.337%0.36562%0.62SS.*EExtended strand (participates in β ladder)trans-107.8138.9179-59.80000110V371 C372C356-V371 CarbonylContact C-O 3.56Å; C356-V371 WeakPolarHBondContact CA-O 3.5Å; C356-C372 HydrophobicContact CB-CB 4.04Å; C356-C372 WeakPolarHBondContact CB-SG 3.26Å; C356-C372 WeakPolarHBondContact SG-CB 3.48Å; C356-C372 CovalentContact SG-SG 2.02Å; C356-C372 PolarHBondContact SG-SG 3.35Å
357R45.8Very low41.1Very low173 Ų173113.2 Ų113.265%0.65359%0.589SS**EExtended strand (participates in β ladder)trans-133.8129.1174.4-158.6173-176176.51.2110V371R357-V371 PolarHBondContact N-O 3.42Å; R357-V371 PolarHBondContact O-N 2.91Å
358S45.3Very low42.1Very low71 Ų71109.3 Ų109.350%0.49759%0.585SS.*EExtended strand (participates in β ladder)trans-79.9117.5174.6-20.80000108.9C369S358-C369 CarbonylContact C-O 3.54Å; S358-C369 VanDerWaalsContact CA-O 3.31Å; S358-C369 WeakPolarHBondContact CA-O 3.5Å
359V53.7Low43.1Very low76 Ų76102.8 Ų102.846%0.46155%0.551SS.*EExtended strand (participates in β ladder)trans-106.7122176.9-176.10000108.1C369V359-C369 PolarHBondContact N-O 3.33Å; V359-C369 PolarHBondContact O-N 3.31Å
360P45.5Very low44.1Very low95 Ų95103.4 Ų103.462%0.61755%0.547SS*.EExtended strand (participates in β ladder)trans-68.5134.2172.427.2-31.2000109.5
361V52.5Low45.1Very low54 Ų5496.2 Ų96.233%0.32752%0.52SS..  trans-75.2124.4178-177.70000107.9E363 S364 S367 C369V361-E363 PolarHBondContact O-N 2.84Å; V361-S364 PolarHBondContact O-N 3.47Å; V361-S367 PolarHBondContact N-O 2.98Å; V361-C369 HydrophobicContact CG2-CB 4.49Å; V361-C369 WeakPolarHBondContact CG2-SG 3.42Å
362P44.7Very low46Very low132 Ų13287.8 Ų87.886%0.85749%0.489SS*.THydrogen-bonded Turntrans-62-19.7-167.518.7-29.8000114.7
363E48.4Very low46.7Very low187 Ų18785.4 Ų85.487%0.87447%0.472SS*.THydrogen-bonded Turntrans-98.4-0.1-175.8-66.2-173.716500114.9V361V361-E363 PolarHBondContact O-N 2.84Å
364S41.9Very low47.2Very low41 Ų4186.9 Ų86.929%0.28746%0.461SS..  trans-147.7108.3177.842.20000110.8V361 T366 S367V361-S364 PolarHBondContact O-N 3.47Å; S364-T366 PolarHBondContact O-N 3.35Å; S364-S367 WeakPolarHBondContact CB-OG 3.36Å; S364-S367 PolarHBondContact O-N 2.94Å; S364-S367 VanDerWaalsContact O-N 3.14Å; S364-S367 PolarHBondContact OG-OG 3.4Å
365R48.6Very low47.5Very low262 Ų26289.2 Ų89.299%0.98947%0.473SS*.THydrogen-bonded Turntrans-60.9-5.2-178.1-69.3-173.2177.7-167.3-0.2114.5
366T49Very low47.1Very low67 Ų6791 Ų9141%0.41149%0.486SS..THydrogen-bonded Turntrans-112.6-2.4-177.250.50000113.9S364 T444 V445S364-T366 PolarHBondContact O-N 3.35Å; T366-T444 CarbonylContact O-C 3.56Å; T366-T444 WeakPolarHBondContact O-CA 3.36Å; T366-V445 WeakPolarHBondContact CB-O 3.07Å; T366-V445 VanDerWaalsContact CG2-O 3.22Å; T366-V445 WeakPolarHBondContact CG2-O 3.25Å; T366-V445 PolarHBondContact O-N 3.03Å
367S48.2Very low46.7Very low18 Ų1892 Ų9213%0.12651%0.506CS..EExtended strand (participates in β ladder)trans-111.3135.5177.1-0.70000115.1V361 S364 K443 T444V361-S367 PolarHBondContact N-O 2.98Å; S364-S367 WeakPolarHBondContact CB-OG 3.36Å; S364-S367 PolarHBondContact O-N 2.94Å; S364-S367 VanDerWaalsContact O-N 3.14Å; S364-S367 PolarHBondContact OG-OG 3.4Å; S367-K443 CarbonylContact C-O 3.4Å; S367-K443 WeakPolarHBondContact CA-O 2.94Å; S367-T444 WeakPolarHBondContact OG-CG2 3.33Å
368A52.8Low46.1Very low50 Ų5090.3 Ų90.341%0.41352%0.518SS..EExtended strand (participates in β ladder)trans-123.9138.6171.500000111.4C442 K443A368-C442 WeakPolarHBondContact O-CA 3.29Å; A368-K443 PolarHBondContact N-O 3.21Å; A368-K443 PolarHBondContact O-N 3.12Å
369C50.5Low45.6Very low18 Ų1892.8 Ų92.812%0.12254%0.535CS..EExtended strand (participates in β ladder)trans-113.4125.2177-68.10000111.1S358 V359 V361 C441 C442S358-C369 CarbonylContact C-O 3.54Å; S358-C369 VanDerWaalsContact CA-O 3.31Å; S358-C369 WeakPolarHBondContact CA-O 3.5Å; V359-C369 PolarHBondContact N-O 3.33Å; V359-C369 PolarHBondContact O-N 3.31Å; V361-C369 HydrophobicContact CG2-CB 4.49Å; V361-C369 WeakPolarHBondContact CG2-SG 3.42Å; C369-C441 CarbonylContact C-O 3.56Å; C369-C441 VanDerWaalsContact CA-O 3.3Å; C369-C441 WeakPolarHBondContact CA-O 3.47Å; C369-C442 HydrophobicContact CB-CB 3.93Å; C369-C442 WeakPolarHBondContact CB-SG 2.95Å; C369-C442 WeakPolarHBondContact SG-CB 3.3Å; C369-C442 CovalentContact SG-SG 2Å; C369-C442 PolarHBondContact SG-SG 2.74Å
370E54.2Low44.4Very low100 Ų10097.5 Ų97.547%0.46756%0.557SS.*EExtended strand (participates in β ladder)trans-90.8123.3173.4-120.5178.617800111.3A440 C441E370-A440 VanDerWaalsContact O-CA 3.29Å; E370-A440 WeakPolarHBondContact O-CA 3.25Å; E370-C441 PolarHBondContact N-O 2.51Å; E370-C441 PolarHBondContact O-N 3.05Å
371V51.7Low44.2Very low52 Ų5298.1 Ų98.132%0.31556%0.561SS.*EExtended strand (participates in β ladder)trans-115.5122.8177.7-172.10000109.9C356 R357 S439 A440C356-V371 CarbonylContact C-O 3.56Å; C356-V371 WeakPolarHBondContact CA-O 3.5Å; R357-V371 PolarHBondContact N-O 3.42Å; R357-V371 PolarHBondContact O-N 2.91Å; V371-S439 CarbonylContact C-O 3.57Å; V371-S439 WeakPolarHBondContact CA-O 3Å; V371-A440 HydrophobicContact CG1-CB 4.47Å; V371-A440 HydrophobicContact CG2-CB 3.86Å
372C49Very low43Very low18 Ų18102.4 Ų102.412%0.12259%0.587CS.*EExtended strand (participates in β ladder)trans-114.1138.4-175.3-58.60000113L354 C355 C356 F438 S439L354-C372 HydrophobicContact CD2-CB 3.94Å; C355-C372 WeakPolarHBondContact O-CA 3.35Å; C356-C372 HydrophobicContact CB-CB 4.04Å; C356-C372 WeakPolarHBondContact CB-SG 3.26Å; C356-C372 WeakPolarHBondContact SG-CB 3.48Å; C356-C372 CovalentContact SG-SG 2.02Å; C356-C372 PolarHBondContact SG-SG 3.35Å; C372-F438 WeakPolarHBondContact O-CA 3.38Å; C372-S439 PolarHBondContact N-O 3.02Å; C372-S439 PolarHBondContact O-N 3.4Å; C372-S439 VanDerWaalsContact O-N 3.14Å
373L45Very low42.2Very low63 Ų63101.5 Ų101.533%0.3358%0.584SS.*EExtended strand (participates in β ladder)trans-109.7135.4179.3-101.3166.2000111.7C355 F438C355-L373 PolarHBondContact N-O 2.03Å; C355-L373 PolarHBondContact O-N 3.32Å; L373-F438 HydrophobicContact CD1-CD1 4.39Å; L373-F438 HydrophobicContact CD1-CE1 3.8Å; L373-F438 HydrophobicContact CD2-CD1 3.46Å; L373-F438 VanDerWaalsContact CD2-CD1 3.46Å; L373-F438 HydrophobicContact CD2-CE1 3.03Å; L373-F438 HydrophobicContact CD2-CE2 4.35Å; L373-F438 HydrophobicContact CD2-CG 4.3Å; L373-F438 HydrophobicContact CD2-CZ 3.53Å; L373-F438 HydrophobicContact CG-CD1 3.56Å; L373-F438 HydrophobicContact CG-CE1 3.35Å; L373-F438 HydrophobicContact CG-CZ 4.31Å
374R44.4Very low41.4Very low136 Ų136100.9 Ų100.951%0.51359%0.585SS.*EExtended strand (participates in β ladder)trans-122125.2175.7-138.2178.2-162.8-1794.9110.3L354 Q437L354-R374 HydrophobicContact CG-CG 4.36Å; R374-Q437 PolarHBondContact N-O 2.96Å
375L41.8Very low40.7Very low130 Ų130103.1 Ų103.168%0.68161%0.606SS**  trans-126.7146.8-179.1-84.2149.9000111.1T436L375-T436 HydrophobicContact CD2-CG2 3.58Å; L375-T436 HydrophobicContact CG-CG2 4.24Å
376S34.3Very low39.9Very low113 Ų11396.8 Ų96.879%0.7960%0.599SS**  trans-144.2113.3178.2-63.90000111.3
377G32.6Very low38.8Very low76 Ų7698.2 Ų98.278%0.78461%0.611SS**  trans166.6153.5171.200000115.6
378P33.9Very low37.7Very low138 Ų138103 Ų10390%0.89664%0.644SS**  trans-93.3151.8-16836.3-32.6000115.3
379S34.7Very low36.7Very low122 Ų122108.5 Ų108.585%0.85366%0.659SS**  trans-97.8155.4-165.249.10000116.9
380L28.1Very low35.7Very low176 Ų176113.4 Ų113.492%0.92169%0.691SS**  trans-118.6159.5165-87.9159.4000109.7
381P41.3Very low34.8Very low107 Ų107114.3 Ų114.370%0.69571%0.708SS**  trans-115.5138.5-159.437.4-25.2000115
382V27.6Very low34.1Very low145 Ų145116.3 Ų116.388%0.87973%0.73SS**  trans-155132.5159.9-174.50000114.1
383S29Very low33Very low113 Ų113121.4 Ų121.479%0.7977%0.766SS**  trans3138.5151.7-1700000122.6
384L30.3Very low32.9Very low174 Ų174129.6 Ų129.691%0.91179%0.792SS**  trans-75.6145177.5-75.8131.3000115.8
385A27Very low32.3Very low88 Ų88132.4 Ų132.473%0.72781%0.811SS**  trans-152.4145.2150.600000110.4
386P32.3Very low32.5Very low129 Ų129129.6 Ų129.684%0.83881%0.814SS**  trans-83.1144.5-170.933.3-34.2000113.1
387C25.5Very low32.8Very low97 Ų97131.8 Ų131.866%0.65582%0.817SS**  trans-112.1122.8176.4-70.90000111.6
388S26.3Very low32.9Very low118 Ų118137.6 Ų137.683%0.82582%0.815SS**  trans-102.2149.316630.60000110.2
389F30.4Very low33Very low165 Ų165139.4 Ų139.472%0.72481%0.809SS**  trans-110.1134.4176.3-82.7-85.8000111.1Y402F389-Y402 HydrophobicContact CE1-CD1 4.36Å; F389-Y402 AromaticContact CE1-CE1 3.77Å; F389-Y402 HydrophobicContact CE1-CE1 3.77Å; F389-Y402 HydrophobicContact CZ-CD1 4.32Å; F389-Y402 HydrophobicContact CZ-CE1 4.09Å
390P29.9Very low33.2Very low121 Ų121136.8 Ų136.879%0.78680%0.801SS**  trans-89.8152.4159.214.23.6000111.4
391S35.6Very low33.8Very low119 Ų119132.8 Ų132.883%0.83278%0.784SS**  trans-82.3150.8-177.940.20000113.8
392A36.2Very low33.6Very low94 Ų94134 Ų13478%0.77778%0.776SS**  trans73.6111.7160.500000118.8
393S27.8Very low33.9Very low125 Ų125132.2 Ų132.287%0.87476%0.761SS**  169.5166.3112.449.80000111
394R41.3Very low34.5Very low235 Ų235134.2 Ų134.289%0.88776%0.763SS**  trans-75.5170-156.5-69.9172.8163.3169.8-6115.1
395E32.9Very low34.9Very low195 Ų195135.2 Ų135.291%0.91175%0.754SS**  trans97.6135.8159.3-78.3173.2170.500117.9
396G45.7Very low35.3Very low71 Ų71135.2 Ų135.273%0.73275%0.748SS**  trans-71.8174.8-162.700000112.7
397D39.7Very low35.3Very low159 Ų159134 Ų13485%0.8574%0.741SS**SBendtrans92.239168.1-131.524.5000118.2
398R36.2Very low35.9Very low198 Ų198136.7 Ų136.775%0.74775%0.748SS**  trans-145.938.7155.9-70.4-162.5176.7177-0.4115.2G400 T401 Y402R398-G400 VanDerWaalsContact C-N 3.31Å; R398-G400 PolarHBondContact O-N 2.64Å; R398-T401 PolarHBondContact O-OG1 3.01Å; R398-Y402 WeakPolarHBondContact O-CD2 3.35Å
399F34.7Very low35.9Very low177 Ų177139.7 Ų139.778%0.77675%0.749SS**Hα-helixtrans-70.4-22.1177.8-100.8-85.4000114.4
400G40.1Very low36Very low66 Ų66140.6 Ų140.668%0.6876%0.756SS**Hα-helixtrans-71.4-27.3-179.900000114.7R398R398-G400 VanDerWaalsContact C-N 3.31Å; R398-G400 PolarHBondContact O-N 2.64Å
401T39.9Very low36.1Very low93 Ų93140.2 Ų140.257%0.57175%0.753SS**Hα-helixtrans-87.5-18.2-177.634.40000114.2R398R398-T401 PolarHBondContact O-OG1 3.01Å
402Y37.5Very low36.2Very low131 Ų131140 Ų14051%0.51475%0.748SS.*Hα-helixtrans-90.7-26.9179.3-75.7-76.5000113.5F389 R398 N404 R405 C406F389-Y402 HydrophobicContact CE1-CD1 4.36Å; F389-Y402 AromaticContact CE1-CE1 3.77Å; F389-Y402 HydrophobicContact CE1-CE1 3.77Å; F389-Y402 HydrophobicContact CZ-CD1 4.32Å; F389-Y402 HydrophobicContact CZ-CE1 4.09Å; R398-Y402 WeakPolarHBondContact O-CD2 3.35Å; Y402-N404 VanDerWaalsContact C-N 3.27Å; Y402-N404 PolarHBondContact O-N 2.88Å; Y402-R405 PolarHBondContact O-N 3.27Å; Y402-R405 VanDerWaalsContact O-N 3.13Å; Y402-C406 PolarHBondContact O-N 3.43Å
403L34.5Very low36.2Very low108 Ų108140.3 Ų140.357%0.56575%0.745SS**Hα-helixtrans-68-24.9174.9-88.5162.6000113.3R405L403-R405 PolarHBondContact O-N 3.14Å
404N41.2Very low36.2Very low156 Ų156140.6 Ų140.683%0.83474%0.744SS**THydrogen-bonded Turntrans-74.9-1.6173.5-1146.7000113.8Y402Y402-N404 VanDerWaalsContact C-N 3.27Å; Y402-N404 PolarHBondContact O-N 2.88Å
405R38Very low35.4Very low195 Ų195136.8 Ų136.874%0.73674%0.74SS**THydrogen-bonded Turntrans-125.51-179.3-90.8-175.8174.1-175.2-1.8115.5Y402 L403Y402-R405 PolarHBondContact O-N 3.27Å; Y402-R405 VanDerWaalsContact O-N 3.13Å; L403-R405 PolarHBondContact O-N 3.14Å
406C35Very low35.5Very low87 Ų87132.6 Ų132.659%0.58873%0.732SS**  trans-101.18-177.2-77.50000116Y402 L408Y402-C406 PolarHBondContact O-N 3.43Å; C406-L408 PolarHBondContact O-N 3.21Å
407C32.8Very low34.5Very low104 Ų104138 Ų13870%0.70374%0.741SS**  trans-81.641.6170.1-68.30000112.7
408L37.8Very low34.1Very low153 Ų153140.2 Ų140.280%0.80174%0.742SS**  trans-139.878.3172.6-79.5172.6000109.1C406C406-L408 PolarHBondContact O-N 3.21Å
409H27.1Very low33.8Very low182 Ų182136 Ų13684%0.84374%0.743SS**  trans176.4124.6139.6-109.7-77.8000109.5
410Q32.6Very low33.4Very low184 Ų184130.4 Ų130.486%0.8673%0.73SS**  trans-81.8139.5147.6-94.5175.4-33.800107.3
411P30.7Very low32.8Very low113 Ų113133 Ų13373%0.73473%0.732SS**  -145.5-167.590.539-21.6000112.4
412P38.8Very low32.9Very low113 Ų113134.1 Ų134.173%0.73474%0.744SS**  -111.7161.6-60.132.8-18.6000111.8
413S34.9Very low33.1Very low102 Ų102134.9 Ų134.971%0.71375%0.752SS**  trans36128.4161.459.70000121
414P28.8Very low33.6Very low131 Ų131133.2 Ų133.285%0.85176%0.761SS**PPolyproline II helixtrans-94.8124.9151.730.8-19.6000111.3
415I25Very low34.1Very low155 Ų155129.1 Ų129.180%0.79574%0.744SS**PPolyproline II helixtrans-54.9138.4164.3-68.1159000109.6
416S34.3Very low34.4Very low107 Ų107122 Ų12275%0.74872%0.724SS**PPolyproline II helixtrans-65133.8173.2-1720000111.6
417M25.7Very low35.2Very low185 Ų185124.2 Ų124.291%0.91173%0.726SS**  trans-138.4109.9158.4-88.9-164.516500110.9
418K31.2Very low35.9Very low204 Ų204126 Ų12689%0.88772%0.719SS**  trans-81.9119.9150.8-78.4-180175.9176.30107.6
419S29Very low36.3Very low110 Ų110123.2 Ų123.277%0.76971%0.708SS**  trans165.9134.8135-176.70000113.5
420A25.7Very low37.3Very low59 Ų59116.1 Ų116.149%0.48868%0.679SS.*  trans78.9117.4148.700000122.3K443A420-K443 PolarHBondContact O-NZ 3.38Å
421T27.9Very low37.5Very low120 Ų120113.2 Ų113.274%0.73668%0.679SS**  trans73.3121.9134.358.30000120.9
422S42.8Very low38Very low117 Ų117118.6 Ų118.682%0.81869%0.686SS**  trans-29.6128.117453.40000118.4
423Q40.8Very low38.1Very low147 Ų147115 Ų11569%0.68766%0.664SS**  trans-155.4136.2151.5-138.8157.4-0.900111.9
424G44.5Very low38.6Very low73 Ų73114.9 Ų114.975%0.75366%0.66SS**  trans-69.9137.6-162.200000115.7
425C51.9Low39.1Very low71 Ų71116.2 Ų116.248%0.4865%0.653SS.*  trans-90.9139174.5-64.70000110.6A440 C441C425-A440 WeakPolarHBondContact CA-O 3.16Å; C425-C441 HydrophobicContact CB-CB 4.18Å; C425-C441 WeakPolarHBondContact CB-SG 3.46Å; C425-C441 WeakPolarHBondContact SG-CB 3.4Å; C425-C441 CovalentContact SG-SG 2.03Å; C425-C441 PolarHBondContact SG-SG 2.94Å
426S44.1Very low40.2Very low44 Ų44109.9 Ų109.931%0.30862%0.621SS.*EExtended strand (participates in β ladder)trans-113.2135.217754.60000110.6Y428 S439 A440S426-Y428 WeakPolarHBondContact CB-OH 3.47Å; S426-Y428 VanDerWaalsContact OG-CE2 3.25Å; S426-Y428 WeakPolarHBondContact OG-CE2 3.45Å; S426-Y428 PolarHBondContact OG-OH 3.49Å; S426-Y428 VanDerWaalsContact OG-OH 3.11Å; S426-S439 WeakPolarHBondContact O-CA 3.3Å; S426-A440 PolarHBondContact N-O 3.07Å; S426-A440 PolarHBondContact O-N 3.34Å
427H52.1Low40.9Very low135 Ų135109.7 Ų109.763%0.62561%0.609SS**EExtended strand (participates in β ladder)trans-109.4131.3-177.1-65.7-86000110.6F438 S439H427-F438 CarbonylContact C-O 3.24Å; H427-F438 WeakPolarHBondContact CA-O 3.44Å; H427-S439 VanDerWaalsContact CE1-CB 3.44Å; H427-S439 WeakPolarHBondContact CE1-CB 3.3Å; H427-S439 VanDerWaalsContact ND1-CB 3.3Å; H427-S439 WeakPolarHBondContact ND1-CB 3.32Å
428Y47.3Very low42.3Very low142 Ų142104 Ų10456%0.55758%0.579SS**EExtended strand (participates in β ladder)trans-125.9135.9-180-55.2-85.4000110.2S426 F438S426-Y428 WeakPolarHBondContact CB-OH 3.47Å; S426-Y428 VanDerWaalsContact OG-CE2 3.25Å; S426-Y428 WeakPolarHBondContact OG-CE2 3.45Å; S426-Y428 PolarHBondContact OG-OH 3.49Å; S426-Y428 VanDerWaalsContact OG-OH 3.11Å; Y428-F438 PolarHBondContact N-O 2.84Å; Y428-F438 PolarHBondContact O-N 3.02Å
429V47.5Very low43Very low93 Ų9395.4 Ų95.456%0.56455%0.545SS*.EExtended strand (participates in β ladder)trans-93.7133.8173.5-171.10000108S431 Q437V429-S431 PolarHBondContact O-N 3.17Å; V429-Q437 HydrophobicContact CG2-CG 4.33Å
430S47.2Very low44.1Very low34 Ų3491.2 Ų91.224%0.23852%0.516CS..  trans-63.3131.6178.1-165.50000111Y432 S433 T436S430-Y432 PolarHBondContact O-N 3.12Å; S430-S433 PolarHBondContact O-N 2.91Å; S430-T436 WeakPolarHBondContact CB-OG1 3.39Å; S430-T436 PolarHBondContact N-O 3.41Å
431S38Very low45.3Very low123 Ų12390.3 Ų90.386%0.8651%0.506SS*.THydrogen-bonded Turntrans-67.6-17.4174.649.10000113.5V429V429-S431 PolarHBondContact O-N 3.17Å
432Y40Very low46.5Very low226 Ų22687.4 Ų87.489%0.88649%0.49SS*.THydrogen-bonded Turntrans-95.3-15.2-178.9-100.3-93.7000114.4S430S430-Y432 PolarHBondContact O-N 3.12Å
433S41.2Very low46.9Very low38 Ų3886.4 Ų86.427%0.26647%0.471SS..  trans-154.7127.7176.8177.30000111.7S430 F435 T436S430-S433 PolarHBondContact O-N 2.91Å; S433-F435 PolarHBondContact O-N 2.74Å; S433-F435 VanDerWaalsContact O-N 3.12Å; S433-F435 PolarHBondContact OG-N 2.74Å; S433-T436 PolarHBondContact O-N 2.92Å; S433-T436 PolarHBondContact O-OG1 3.47Å
434P44.7Very low47.3Very low98 Ų9883.4 Ų83.464%0.63646%0.462SS*.THydrogen-bonded Turntrans-71.1-5.2179.529.2-33.6000113.4
435F40.9Very low47.3Very low160 Ų16085.1 Ų85.170%0.70246%0.458SS*.THydrogen-bonded Turntrans-103.71.7-176.5-55.1-68.7000114S433S433-F435 PolarHBondContact O-N 2.74Å; S433-F435 VanDerWaalsContact O-N 3.12Å; S433-F435 PolarHBondContact OG-N 2.74Å
436T46.5Very low46.6Very low21 Ų2190.4 Ų90.413%0.12948%0.476CS..  trans-115.3118.9178.147.60000111L375 S430 S433L375-T436 HydrophobicContact CD2-CG2 3.58Å; L375-T436 HydrophobicContact CG-CG2 4.24Å; S430-T436 WeakPolarHBondContact CB-OG1 3.39Å; S430-T436 PolarHBondContact N-O 3.41Å; S433-T436 PolarHBondContact O-N 2.92Å; S433-T436 PolarHBondContact O-OG1 3.47Å
437Q49.3Very low46.5Very low104 Ų10493.9 Ų93.949%0.48650%0.497SS..EExtended strand (participates in β ladder)trans-116.9138.4176.7-67.7-177.3-9.200110R374 V429R374-Q437 PolarHBondContact N-O 2.96Å; V429-Q437 HydrophobicContact CG2-CG 4.33Å
438F55.4Low45.7Very low66 Ų6696.7 Ų96.729%0.28951%0.511SS..EExtended strand (participates in β ladder)trans-113.7143.2176.3-58.3-94.2000109.9C372 L373 H427 Y428C372-F438 WeakPolarHBondContact O-CA 3.38Å; L373-F438 HydrophobicContact CD1-CD1 4.39Å; L373-F438 HydrophobicContact CD1-CE1 3.8Å; L373-F438 HydrophobicContact CD2-CD1 3.46Å; L373-F438 VanDerWaalsContact CD2-CD1 3.46Å; L373-F438 HydrophobicContact CD2-CE1 3.03Å; L373-F438 HydrophobicContact CD2-CE2 4.35Å; L373-F438 HydrophobicContact CD2-CG 4.3Å; L373-F438 HydrophobicContact CD2-CZ 3.53Å; L373-F438 HydrophobicContact CG-CD1 3.56Å; L373-F438 HydrophobicContact CG-CE1 3.35Å; L373-F438 HydrophobicContact CG-CZ 4.31Å; H427-F438 CarbonylContact C-O 3.24Å; H427-F438 WeakPolarHBondContact CA-O 3.44Å; Y428-F438 PolarHBondContact N-O 2.84Å; Y428-F438 PolarHBondContact O-N 3.02Å
439S47.1Very low45Very low23 Ų2396.4 Ų96.416%0.16152%0.518CS..EExtended strand (participates in β ladder)trans-129.9131.5171.460.80000110.6V371 C372 S426 H427V371-S439 CarbonylContact C-O 3.57Å; V371-S439 WeakPolarHBondContact CA-O 3Å; C372-S439 PolarHBondContact N-O 3.02Å; C372-S439 PolarHBondContact O-N 3.4Å; C372-S439 VanDerWaalsContact O-N 3.14Å; S426-S439 WeakPolarHBondContact O-CA 3.3Å; H427-S439 VanDerWaalsContact CE1-CB 3.44Å; H427-S439 WeakPolarHBondContact CE1-CB 3.3Å; H427-S439 VanDerWaalsContact ND1-CB 3.3Å; H427-S439 WeakPolarHBondContact ND1-CB 3.32Å
440A51.7Low44.2Very low21 Ų2199.8 Ų99.817%0.17453%0.533CS..EExtended strand (participates in β ladder)trans-124.6132.1-179.200000112.3E370 V371 C425 S426E370-A440 VanDerWaalsContact O-CA 3.29Å; E370-A440 WeakPolarHBondContact O-CA 3.25Å; V371-A440 HydrophobicContact CG1-CB 4.47Å; V371-A440 HydrophobicContact CG2-CB 3.86Å; C425-A440 WeakPolarHBondContact CA-O 3.16Å; S426-A440 PolarHBondContact N-O 3.07Å; S426-A440 PolarHBondContact O-N 3.34Å
441C50.4Low43.4Very low41 Ų41106.7 Ų106.728%0.27756%0.562SS.*EExtended strand (participates in β ladder)trans-137.5137.3179.3-390000111.1C369 E370 C425C369-C441 CarbonylContact C-O 3.56Å; C369-C441 VanDerWaalsContact CA-O 3.3Å; C369-C441 WeakPolarHBondContact CA-O 3.47Å; E370-C441 PolarHBondContact N-O 2.51Å; E370-C441 PolarHBondContact O-N 3.05Å; C425-C441 HydrophobicContact CB-CB 4.18Å; C425-C441 WeakPolarHBondContact CB-SG 3.46Å; C425-C441 WeakPolarHBondContact SG-CB 3.4Å; C425-C441 CovalentContact SG-SG 2.03Å; C425-C441 PolarHBondContact SG-SG 2.94Å
442C54.2Low43.3Very low58 Ų58105.9 Ų105.939%0.39256%0.556SS.*EExtended strand (participates in β ladder)trans-133149.5-169-51.90000115.1A368 C369A368-C442 WeakPolarHBondContact O-CA 3.29Å; C369-C442 HydrophobicContact CB-CB 3.93Å; C369-C442 WeakPolarHBondContact CB-SG 2.95Å; C369-C442 WeakPolarHBondContact SG-CB 3.3Å; C369-C442 CovalentContact SG-SG 2Å; C369-C442 PolarHBondContact SG-SG 2.74Å
443K50.3Low43Very low97 Ų97104.7 Ų104.742%0.42256%0.558SS.*EExtended strand (participates in β ladder)trans-152.1158.8175.4-162.9176.4177.1-173.90114.4S367 A368 A420S367-K443 CarbonylContact C-O 3.4Å; S367-K443 WeakPolarHBondContact CA-O 2.94Å; A368-K443 PolarHBondContact N-O 3.21Å; A368-K443 PolarHBondContact O-N 3.12Å; A420-K443 PolarHBondContact O-NZ 3.38Å
444T49.1Very low42.6Very low83 Ų83107.6 Ų107.651%0.50958%0.584SS.*EExtended strand (participates in β ladder)trans-113.1146.2178.642.30000116T366 S367T366-T444 CarbonylContact O-C 3.56Å; T366-T444 WeakPolarHBondContact O-CA 3.36Å; S367-T444 WeakPolarHBondContact OG-CG2 3.33Å
445V45.3Very low41.8Very low110 Ų110112.8 Ų112.867%0.66760%0.597SS**  trans-145141.8-179.8-1690000114.2T366T366-V445 WeakPolarHBondContact CB-O 3.07Å; T366-V445 VanDerWaalsContact CG2-O 3.22Å; T366-V445 WeakPolarHBondContact CG2-O 3.25Å; T366-V445 PolarHBondContact O-N 3.03Å
446E36.4Very low41Very low182 Ų182113.7 Ų113.785%0.8560%0.603SS**  trans-110155-176.8-72-178.4158.600115.9
447P42.8Very low39.9Very low116 Ų116121.2 Ų121.275%0.75364%0.637SS**  trans-118.9159.7-165.439.2-25.4000118.8
448Q34.3Very low39.4Very low194 Ų194122 Ų12291%0.90765%0.651SS**  trans-144.2150.1168.3-82.9-73.4-12.600113.3
449L33.9Very low37.9Very low137 Ų137122.8 Ų122.872%0.71768%0.678SS**  trans-105.6156-160.3-111.496.5000116.4
450N30.2Very low36.8Very low163 Ų163129.9 Ų129.987%0.87271%0.713SS**  179150.5119.3-93.6-11000116.2
451E29.5Very low36.1Very low180 Ų180133.9 Ų133.984%0.84174%0.737SS**  trans-100.1163.7-164.7-72.4178.6139.800116.8
452S37.1Very low35.7Very low105 Ų105137.4 Ų137.473%0.73476%0.76SS**  trans-90.6173.2-179.5530000116.3
453Q32.4Very low34.5Very low202 Ų202139.9 Ų139.994%0.94478%0.775SS**  trans-174.9158.6132.6-102.7167.526.300116.3
454A33.5Very low33.8Very low98 Ų98143.6 Ų143.681%0.8180%0.799SS**  trans-134166.9-16500000114.4
455K27.2Very low32.6Very low208 Ų208145.2 Ų145.290%0.90481%0.814SS**  trans-171163155-118.3176.5178.9-179.40117
456E25.3Very low31.9Very low178 Ų178146.6 Ų146.683%0.83282%0.822SS**  trans-97.7157-150.2-64.9163.6127.500122.2
457E23Very low31.8Very low180 Ų180143.3 Ų143.384%0.84182%0.816SS**  trans32.1169.9150.3-72.9-156.5157.800127.1
458P39Very low31.3Very low120 Ų120143 Ų14378%0.77982%0.815SS**  cis-138.5166.3-43.438.9-20.2000116.8
459G23.5Very low31.4Very low83 Ų83139.6 Ų139.686%0.85681%0.812SS**  trans176.1134166.600000117.6
460L23.7Very low31Very low171 Ų171138.6 Ų138.690%0.89582%0.816SS**  trans-94175.6-173.1-110.886.9000114.8
461P37.3Very low30.7Very low105 Ų105134.9 Ų134.968%0.68281%0.809SS**  cis-133.3-149.9-38.935.2-11.5000113.1
462P42.1Very low30.7Very low115 Ų115132.4 Ų132.475%0.74781%0.808SS**  -98.1-172.1-101.547-29.6000112.9
463P28.8Very low30.2Very low111 Ų111134.6 Ų134.672%0.72181%0.81SS**  cis-146.2174.849.237.4-13000117.5
464L35.3Very low30.3Very low174 Ų174133.9 Ų133.991%0.91181%0.807SS**  trans-48.2130.7175.2-75.686.4000113.8
465S24.1Very low30.2Very low118 Ų118138 Ų13883%0.82581%0.809SS**  trans-161.1119.6146.219.90000111.4
466V31.4Very low30.5Very low139 Ų139133.8 Ų133.884%0.84280%0.801SS**  trans-49.3149.1156.8174.50000109
467P34.6Very low31.4Very low112 Ų112133.2 Ų133.273%0.72780%0.798SS**  cis-149.2-141.838.929.6-0.4000112.8
468P32Very low32.3Very low111 Ų111130.9 Ų130.972%0.72179%0.792SS**  -121167-68.331.1-14000113.8
469S36.1Very low33Very low122 Ų122131.1 Ų131.185%0.85379%0.786SS**  trans53.7105149.3-158.90000119.2
470S25Very low35.2Very low115 Ų115128.7 Ų128.780%0.80476%0.761SS**  trans-156.8129.2146.4480000111.3
471A24.7Very low38.1Very low86 Ų86120.7 Ų120.771%0.71172%0.719SS**  trans32.1147.4150.800000122.2I473A471-I473 PolarHBondContact O-N 3.08Å
472P28.8Very low40.3Very low127 Ų127120.2 Ų120.283%0.82571%0.709SS**  trans-70.8125.5-179.411.33.3000110.4Q474P472-Q474 PolarHBondContact O-N 2.91Å
473I27.3Very low42.1Very low152 Ų152114.9 Ų114.978%0.77968%0.675SS**  trans-73.1118.1168.4-64.4171.1000107.4A471 E475A471-I473 PolarHBondContact O-N 3.08Å; I473-E475 HydrophobicContact CG2-CG 4.44Å; I473-E475 PolarHBondContact O-N 2.83Å
474Q34.8Very low44.8Very low187 Ų187110.8 Ų110.887%0.87465%0.647SS**  trans-62.2112.7162.9-85.6171.7-25.100108.9P472P472-Q474 PolarHBondContact O-N 2.91Å
475E31.3Very low47.1Very low184 Ų184105.3 Ų105.386%0.8662%0.617SS**  trans-102.7110.6160.4-73.9-173.2174.100108.4I473I473-E475 HydrophobicContact CG2-CG 4.44Å; I473-E475 PolarHBondContact O-N 2.83Å
476T32.1Very low50Low120 Ų120103.7 Ų103.774%0.73660%0.604SS**  trans-82.6125.8175.4300000112
477E44.1Very low52.5Low165 Ų165103.2 Ų103.277%0.77159%0.587SS**  trans77.484.5135.4-63.3-177.1168.800120.4
478N43.4Very low54.6Low132 Ų13299.1 Ų99.171%0.70656%0.56SS**  -139.878.3124.7-146.1-10.7000109G480N478-G480 VanDerWaalsContact C-N 3.35Å; N478-G480 PolarHBondContact O-N 2.88Å; N478-G480 VanDerWaalsContact O-N 3.13Å
479D53.8Low56.8Low125 Ų125102.3 Ų102.367%0.66857%0.571SS**  trans-92.638-148.1-148.81.8000114.4R551D479-R551 PolarHBondContact O-NH1 3.46Å; D479-R551 PolarHBondContact O-NH2 3.14Å; D479-R551 IonicContact OD1-NH1 3.6Å; D479-R551 PolarHBondContact OD1-NH1 2.92Å
480G69.7Low58.7Low31 Ų31101.1 Ų101.132%0.3255%0.548SS..  trans-132.8148.7-17200000114.4N478 M482N478-G480 VanDerWaalsContact C-N 3.35Å; N478-G480 PolarHBondContact O-N 2.88Å; N478-G480 VanDerWaalsContact O-N 3.13Å; G480-M482 PolarHBondContact O-N 2.92Å
481I83.2Confident61.6Low3 Ų397.9 Ų97.92%0.01552%0.524CS..  trans-73.1-13.6171.3-68.8-179.1000112.7Y336 G483 L484 E547 I550 R551Y336-I481 HydrophobicContact CD2-CG2 4.09Å; Y336-I481 HydrophobicContact CG-CG2 4.47Å; I481-G483 PolarHBondContact O-N 3.01Å; I481-G483 VanDerWaalsContact O-N 3.15Å; I481-L484 VanDerWaalsContact O-CB 3.28Å; I481-L484 WeakPolarHBondContact O-CB 3.46Å; I481-L484 PolarHBondContact O-N 3.13Å; I481-L484 VanDerWaalsContact O-N 3.12Å; I481-E547 HydrophobicContact CD1-CB 3.32Å; I481-E547 HydrophobicContact CD1-CG 3.35Å; I481-E547 WeakPolarHBondContact CD1-O 3.5Å; I481-E547 HydrophobicContact CG1-CB 4.41Å; I481-I550 HydrophobicContact CD1-CB 4.45Å; I481-R551 HydrophobicContact CD1-CG 4.47Å; I481-R551 HydrophobicContact CG1-CG 3.94Å
482M83.1Confident64.7Low95 Ų9593.9 Ų93.947%0.46849%0.49SS..THydrogen-bonded Turntrans-56.6118.4-174.8-169.51645200112R335 G480 L484R335-M482 CarbonylContact O-C 3.58Å; R335-M482 VanDerWaalsContact O-CA 3.24Å; R335-M482 WeakPolarHBondContact O-CA 3.1Å; G480-M482 PolarHBondContact O-N 2.92Å; M482-L484 PolarHBondContact O-N 3.27Å
483G80.2Confident67.7Low4 Ų492.2 Ų92.24%0.04147%0.467CS..THydrogen-bonded Turntrans69.116177.100000115.2R335 Y336 S338 I481 H485 C486 R487R335-G483 PolarHBondContact O-N 3.32Å; Y336-G483 CarbonylContact O-C 3.53Å; S338-G483 WeakPolarHBondContact O-CA 3.28Å; S338-G483 PolarHBondContact O-N 3.11Å; S338-G483 VanDerWaalsContact O-N 3.16Å; I481-G483 PolarHBondContact O-N 3.01Å; I481-G483 VanDerWaalsContact O-N 3.15Å; G483-H485 PolarHBondContact O-N 2.81Å; G483-C486 PolarHBondContact O-N 2.86Å; G483-R487 PolarHBondContact O-N 2.97Å
484L85.4Confident70.9Confident24 Ų2485.1 Ų85.113%0.12643%0.431CS..Hα-helixtrans-59.9-27.5-180-166.366.8000112.4Y336 I481 M482 C486 R487 T488 I550Y336-L484 HydrophobicContact CD2-CB 3.75Å; Y336-L484 HydrophobicContact CD2-CD2 4.17Å; Y336-L484 HydrophobicContact CD2-CG 4.37Å; Y336-L484 HydrophobicContact CE2-CB 3.75Å; Y336-L484 HydrophobicContact CE2-CD2 3.92Å; Y336-L484 HydrophobicContact CE2-CG 3.99Å; Y336-L484 PolarHBondContact O-N 3.36Å; I481-L484 VanDerWaalsContact O-CB 3.28Å; I481-L484 WeakPolarHBondContact O-CB 3.46Å; I481-L484 PolarHBondContact O-N 3.13Å; I481-L484 VanDerWaalsContact O-N 3.12Å; M482-L484 PolarHBondContact O-N 3.27Å; L484-C486 VanDerWaalsContact C-N 3.28Å; L484-C486 PolarHBondContact O-N 3.16Å; L484-R487 PolarHBondContact O-N 3.17Å; L484-T488 HydrophobicContact CD1-CG2 3.86Å; L484-T488 HydrophobicContact CG-CG2 4.17Å; L484-T488 PolarHBondContact O-N 2.95Å; L484-T488 PolarHBondContact O-OG1 2.8Å; L484-I550 HydrophobicContact CD2-CG2 4.1Å
485H84.9Confident73.7Confident60 Ų6076.4 Ų76.428%0.27839%0.39SS..Hα-helixtrans-55.4-38.9171.8-177.170.5000113.5Y336 H337 G483 T491Y336-H485 HydrophobicContact CD1-CB 3.87Å; Y336-H485 HydrophobicContact CE1-CB 3.59Å; Y336-H485 AromaticContact CE1-ND1 3.73Å; Y336-H485 WeakPolarHBondContact O-CB 3.36Å; Y336-H485 PolarHBondContact O-N 2.95Å; Y336-H485 VanDerWaalsContact O-N 3.11Å; H337-H485 AromaticContact CE1-CE1 3.83Å; H337-H485 AromaticContact CE1-CG 3.95Å; H337-H485 AromaticContact CE1-ND1 3.56Å; H337-H485 AromaticContact ND1-CD2 3.7Å; H337-H485 AromaticContact ND1-CE1 3.83Å; H337-H485 AromaticContact ND1-CG 3.44Å; H337-H485 AromaticContact ND1-ND1 3.53Å; H337-H485 AromaticContact ND1-NE2 3.93Å; G483-H485 PolarHBondContact O-N 2.81Å; H485-T491 WeakPolarHBondContact CE1-CG2 3.44Å; H485-T491 WeakPolarHBondContact ND1-CG2 3.33Å
486C85Confident76.6Confident84 Ų8467.6 Ų67.657%0.56835%0.349SS*.Hα-helixtrans-89.8-16.8-178.6-69.70000113.7C339 G483 L484C339-C486 HydrophobicContact CB-CB 3.67Å; C339-C486 WeakPolarHBondContact CB-SG 3.2Å; C339-C486 WeakPolarHBondContact SG-CB 3.35Å; C339-C486 CovalentContact SG-SG 2Å; C339-C486 PolarHBondContact SG-SG 3.28Å; G483-C486 PolarHBondContact O-N 2.86Å; L484-C486 VanDerWaalsContact C-N 3.28Å; L484-C486 PolarHBondContact O-N 3.16Å
487R82.4Confident79.5Confident129 Ų12961.9 Ų61.949%0.48731%0.314SS..Hα-helixtrans-86.7-19.5-180-63.9176.4-175.1179.40.8112.5G483 L484G483-R487 PolarHBondContact O-N 2.97Å; L484-R487 PolarHBondContact O-N 3.17Å
488T80.1Confident81.7Confident25 Ų2554.8 Ų54.815%0.15328%0.281CS..  trans-123.8141.7-170.465.40000112L484 R490L484-T488 HydrophobicContact CD1-CG2 3.86Å; L484-T488 HydrophobicContact CG-CG2 4.17Å; L484-T488 PolarHBondContact O-N 2.95Å; L484-T488 PolarHBondContact O-OG1 2.8Å; T488-R490 PolarHBondContact O-N 3.43Å; T488-R490 PolarHBondContact OG1-O 2.76Å
489N76.8Confident83.9Confident178 Ų17848.9 Ų48.995%0.95225%0.25SC*.SBendtrans-78.1-2.2172.9-70.1-19.3000112.7
490R76.9Confident85.4Confident97 Ų9746 Ų4637%0.36625%0.249SC..SBendtrans-105.182.7175.7-70.6-172.3-178.1150.68.8109.5Y336 T488 F553 S555 P556Y336-R490 PolarHBondContact OH-O 2.77Å; T488-R490 PolarHBondContact O-N 3.43Å; T488-R490 PolarHBondContact OG1-O 2.76Å; R490-F553 HydrophobicContact CB-CE1 4.31Å; R490-S555 PolarHBondContact NH1-O 2.71Å; R490-P556 PolarHBondContact NH1-O 3.09Å; R490-P556 PolarHBondContact NH2-O 3.38Å
491T84.9Confident86.3Confident48 Ų4847.2 Ų47.229%0.29425%0.248SC..  trans-79.7128.9179.755.30000110.7Y336 H485Y336-T491 WeakPolarHBondContact OH-CA 3.32Å; H485-T491 WeakPolarHBondContact CE1-CG2 3.44Å; H485-T491 WeakPolarHBondContact ND1-CG2 3.33Å
492L90.7Very high86.6Confident1 Ų147.4 Ų47.41%0.00525%0.249CC..  trans-94.2141.3173.1-77.9165.9000110.2P308 Y336 F494 I523 I550 F553P308-L492 HydrophobicContact CB-CD2 3.9Å; Y336-L492 HydrophobicContact CE1-CB 4.21Å; Y336-L492 PolarHBondContact OH-N 2.97Å; L492-F494 HydrophobicContact CB-CE2 4.35Å; L492-I523 HydrophobicContact CD1-CD1 4.3Å; L492-I523 HydrophobicContact CD2-CD1 4.19Å; L492-I523 HydrophobicContact CD2-CG1 4.19Å; L492-I523 HydrophobicContact CD2-CG2 3.79Å; L492-I550 HydrophobicContact CD1-CB 4.45Å; L492-I550 HydrophobicContact CD1-CG1 4.35Å; L492-I550 HydrophobicContact CD1-CG2 3.97Å; L492-F553 HydrophobicContact CD1-CB 4.48Å; L492-F553 HydrophobicContact CD1-CD1 3.59Å; L492-F553 HydrophobicContact CD1-CE1 4.24Å; L492-F553 HydrophobicContact CD1-CG 4.31Å; L492-F553 HydrophobicContact CD2-CD1 3.62Å; L492-F553 HydrophobicContact CD2-CE1 3.5Å; L492-F553 VanDerWaalsContact CD2-CE1 3.5Å; L492-F553 HydrophobicContact CD2-CG 4.37Å; L492-F553 HydrophobicContact CD2-CZ 4.18Å; L492-F553 HydrophobicContact CG-CD1 3.62Å; L492-F553 HydrophobicContact CG-CE1 3.72Å
493R92.3Very high86.8Confident92 Ų9244 Ų4435%0.34723%0.231SC..EExtended strand (participates in β ladder)trans-107.8141.5170.8-63.6174.5177.9-103.6-6.6109.4K306 P308 A309 L310 Y495K306-R493 PolarHBondContact O-NE 3.17Å; K306-R493 PolarHBondContact O-NH2 3.32Å; P308-R493 PolarHBondContact O-N 2.86Å; A309-R493 CarbonylContact C-O 3.47Å; L310-R493 PolarHBondContact N-O 2.97Å; R493-Y495 HydrophobicContact CB-CD2 4.34Å; R493-Y495 HydrophobicContact CB-CE2 3.56Å; R493-Y495 WeakPolarHBondContact CD-OH 3.45Å
494F93.4Very high87.2Confident4 Ų447.6 Ų47.62%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-106.3122.3-173.8-67-110.1000110.4V287 Q288 L310 F329 I332 A333 Y336 H337 L492 I550V287-F494 HydrophobicContact CG2-CB 4.14Å; Q288-F494 PolarHBondContact N-O 2.97Å; Q288-F494 VanDerWaalsContact N-O 3.1Å; L310-F494 HydrophobicContact CD2-CD1 3.7Å; L310-F494 HydrophobicContact CD2-CE1 3.51Å; L310-F494 HydrophobicContact CD2-CZ 4.28Å; F329-F494 HydrophobicContact CE1-CB 3.89Å; F329-F494 AromaticContact CE1-CD1 3.9Å; F329-F494 HydrophobicContact CE1-CD1 3.9Å; F329-F494 HydrophobicContact CE1-CG 4.41Å; F329-F494 AromaticContact CE2-CD1 3.96Å; F329-F494 HydrophobicContact CE2-CD1 3.96Å; F329-F494 HydrophobicContact CE2-CE1 4.49Å; F329-F494 HydrophobicContact CZ-CB 4.11Å; F329-F494 AromaticContact CZ-CD1 3.55Å; F329-F494 HydrophobicContact CZ-CD1 3.55Å; F329-F494 HydrophobicContact CZ-CE1 4.47Å; F329-F494 HydrophobicContact CZ-CG 4.29Å; I332-F494 HydrophobicContact CG2-CE1 4.4Å; A333-F494 HydrophobicContact CB-CB 4.19Å; A333-F494 HydrophobicContact CB-CD1 3.59Å; A333-F494 HydrophobicContact CB-CD2 4Å; A333-F494 HydrophobicContact CB-CE1 3.91Å; A333-F494 HydrophobicContact CB-CE2 4.31Å; A333-F494 HydrophobicContact CB-CG 3.66Å; A333-F494 HydrophobicContact CB-CZ 4.28Å; Y336-F494 AromaticContact CD1-CE2 3.5Å; Y336-F494 HydrophobicContact CD1-CE2 3.5Å; Y336-F494 VanDerWaalsContact CD1-CE2 3.5Å; Y336-F494 AromaticContact CD1-CZ 3.99Å; Y336-F494 HydrophobicContact CD1-CZ 3.99Å; Y336-F494 HydrophobicContact CE1-CE2 4Å; Y336-F494 AromaticContact CG-CE2 3.93Å; Y336-F494 HydrophobicContact CG-CE2 3.93Å; Y336-F494 AromaticContact CG-CZ 3.92Å; Y336-F494 HydrophobicContact CG-CZ 3.92Å; H337-F494 AromaticContact NE2-CD2 3.81Å; H337-F494 AromaticContact NE2-CE2 3.91Å; L492-F494 HydrophobicContact CB-CE2 4.35Å; F494-I550 HydrophobicContact CE1-CD1 3.89Å; F494-I550 HydrophobicContact CZ-CD1 4.02Å
495Y93.9Very high87.4Confident3 Ų348.5 Ų48.51%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-129.4148179-58.4-79000111.8Q288 L290 E303 A309 L310 L311 L312 R493Q288-Y495 HydrophobicContact CB-CD1 3.73Å; Q288-Y495 HydrophobicContact CB-CE1 3.98Å; Q288-Y495 CarbonylContact O-C 3.45Å; Q288-Y495 VanDerWaalsContact O-CA 3.23Å; Q288-Y495 WeakPolarHBondContact O-CA 3.49Å; L290-Y495 HydrophobicContact CD1-CD1 3.57Å; L290-Y495 HydrophobicContact CD1-CD2 4.32Å; L290-Y495 HydrophobicContact CD1-CE1 4.21Å; L290-Y495 HydrophobicContact CD1-CG 3.63Å; L290-Y495 HydrophobicContact CD2-CD1 3.86Å; L290-Y495 HydrophobicContact CD2-CE1 4.16Å; L290-Y495 HydrophobicContact CG-CD1 3.63Å; L290-Y495 HydrophobicContact CG-CE1 4.37Å; L290-Y495 HydrophobicContact CG-CG 4.08Å; E303-Y495 HydrophobicContact CB-CE1 4.39Å; E303-Y495 HydrophobicContact CG-CE1 4.46Å; E303-Y495 PolarHBondContact OE2-OH 3.4Å; E303-Y495 VanDerWaalsContact OE2-OH 3.1Å; A309-Y495 HydrophobicContact CB-CD2 3.76Å; A309-Y495 HydrophobicContact CB-CE2 3.64Å; L310-Y495 PolarHBondContact O-N 3.12Å; L311-Y495 HydrophobicContact CD2-CD2 3.85Å; L311-Y495 HydrophobicContact CD2-CG 4.2Å; L312-Y495 PolarHBondContact N-O 3.06Å; R493-Y495 HydrophobicContact CB-CD2 4.34Å; R493-Y495 HydrophobicContact CB-CE2 3.56Å; R493-Y495 WeakPolarHBondContact CD-OH 3.45Å
496V92.3Very high87.6Confident0 Ų045.6 Ų45.60%025%0.245CC..EExtended strand (participates in β ladder)trans-121.7136.2176.4-176.20000109.7V287 Q288 W289 L290 L312 M314 F329V287-V496 HydrophobicContact CG1-CB 4.37Å; V287-V496 HydrophobicContact CG1-CG2 3.34Å; Q288-V496 PolarHBondContact O-N 3.27Å; W289-V496 WeakPolarHBondContact CA-O 3.21Å; W289-V496 HydrophobicContact CD2-CB 4.15Å; W289-V496 HydrophobicContact CD2-CG1 4.2Å; W289-V496 HydrophobicContact CE3-CB 4.19Å; W289-V496 HydrophobicContact CE3-CG1 3.9Å; W289-V496 HydrophobicContact CH2-CB 4.39Å; W289-V496 HydrophobicContact CH2-CG1 3.45Å; W289-V496 VanDerWaalsContact CH2-CG1 3.45Å; W289-V496 HydrophobicContact CZ2-CB 4.36Å; W289-V496 HydrophobicContact CZ2-CG1 3.77Å; W289-V496 HydrophobicContact CZ3-CB 4.31Å; W289-V496 HydrophobicContact CZ3-CG1 3.52Å; L290-V496 PolarHBondContact N-O 3.09Å; L312-V496 HydrophobicContact CB-CG2 4.35Å; L312-V496 HydrophobicContact CD2-CG2 4.26Å; L312-V496 CarbonylContact O-C 3.52Å; L312-V496 WeakPolarHBondContact O-CA 3.4Å; M314-V496 HydrophobicContact CG-CG1 3.9Å; M314-V496 HydrophobicContact SD-CG1 4Å; F329-V496 HydrophobicContact CD1-CG2 3.91Å; F329-V496 HydrophobicContact CE1-CG2 3.88Å
497L92.4Very high87.7Confident0 Ų045.2 Ų45.20%024%0.235CC..EExtended strand (participates in β ladder)trans-126.5139.7177.1-63.495.7000109.4L290 P292 L311 L312 F313 M314 I499 N502 L505L290-L497 HydrophobicContact CB-CD2 4.26Å; L290-L497 HydrophobicContact CB-CG 4.14Å; P292-L497 HydrophobicContact CG-CD2 4.07Å; L311-L497 HydrophobicContact CB-CD1 4.04Å; L311-L497 HydrophobicContact CD2-CD1 4.15Å; L311-L497 HydrophobicContact CG-CD1 4.49Å; L312-L497 PolarHBondContact O-N 3.17Å; F313-L497 WeakPolarHBondContact CA-O 3.39Å; F313-L497 HydrophobicContact CD1-CB 3.87Å; F313-L497 HydrophobicContact CE1-CB 4Å; F313-L497 HydrophobicContact CE1-CD1 4.39Å; F313-L497 HydrophobicContact CE1-CD2 4Å; F313-L497 HydrophobicContact CE1-CG 4.35Å; F313-L497 HydrophobicContact CE2-CD1 4.46Å; F313-L497 HydrophobicContact CG-CB 4.44Å; F313-L497 HydrophobicContact CZ-CD1 4.25Å; F313-L497 HydrophobicContact CZ-CD2 4.3Å; M314-L497 PolarHBondContact N-O 2.81Å; M314-L497 VanDerWaalsContact N-O 3.08Å; L497-I499 PolarHBondContact O-N 3.42Å; L497-N502 HydrophobicContact CB-CB 4.36Å; L497-N502 HydrophobicContact CD2-CB 4.22Å; L497-L505 HydrophobicContact CD2-CD2 4.09Å
498D90.7Very high87.9Confident15 Ų1548.4 Ų48.48%0.0825%0.247CC..EExtended strand (participates in β ladder)trans-71.1123.9168.5177.823.3000109.7Y163 M314 H316 G500 L501 N502Y163-D498 VanDerWaalsContact OH-CB 3.31Å; Y163-D498 WeakPolarHBondContact OH-CB 3.39Å; Y163-D498 VanDerWaalsContact OH-CG 3.28Å; Y163-D498 PolarHBondContact OH-OD2 3.13Å; M314-D498 WeakPolarHBondContact O-CA 3.25Å; H316-D498 HydrophobicContact CB-CB 3.96Å; H316-D498 PolarHBondContact N-OD1 3.39Å; H316-D498 VanDerWaalsContact N-OD1 3.12Å; D498-G500 VanDerWaalsContact C-N 3.29Å; D498-G500 PolarHBondContact O-N 2.81Å; D498-G500 PolarHBondContact OD1-N 2.82Å; D498-L501 HydrophobicContact CB-CB 4.47Å; D498-L501 HydrophobicContact CB-CD1 4.3Å; D498-L501 HydrophobicContact CB-CG 4.49Å; D498-L501 PolarHBondContact O-N 2.99Å; D498-L501 WeakPolarHBondContact OD2-CG 3.2Å; D498-N502 WeakPolarHBondContact O-CB 3.29Å; D498-N502 PolarHBondContact O-N 2.73Å; D498-N502 PolarHBondContact O-ND2 3.48Å
499I89.5Confident88.4Confident9 Ų948.1 Ų48.15%0.04624%0.244CC..Hα-helixtrans-62.4-36.3177.8-158.9166.8000111.6M314 P315 L497 L501 N502 W503 C518M314-I499 PolarHBondContact O-N 3.37Å; P315-I499 HydrophobicContact CB-CG2 4.16Å; P315-I499 HydrophobicContact CG-CG2 3.93Å; L497-I499 PolarHBondContact O-N 3.42Å; I499-L501 PolarHBondContact O-N 3.49Å; I499-N502 PolarHBondContact O-N 2.75Å; I499-W503 HydrophobicContact CD1-CE3 3.83Å; I499-W503 HydrophobicContact CD1-CZ3 3.73Å; I499-W503 HydrophobicContact CG1-CE3 3.51Å; I499-W503 HydrophobicContact CG1-CZ3 3.97Å; I499-W503 WeakPolarHBondContact O-CB 3.15Å; I499-W503 PolarHBondContact O-N 3.11Å; I499-C518 WeakPolarHBondContact CD1-O 3.42Å
500G86.5Confident88.8Confident64 Ų6440.6 Ų40.666%0.6621%0.209SC*.Hα-helixtrans-64.8-30-177.300000113D498D498-G500 VanDerWaalsContact C-N 3.29Å; D498-G500 PolarHBondContact O-N 2.81Å; D498-G500 PolarHBondContact OD1-N 2.82Å
501L87.9Confident89.3Confident56 Ų5636.5 Ų36.529%0.29320%0.195SC..Hα-helixtrans-95.4-29.1179-63.9173.2000113.3P158 V160 Y163 D498 I499P158-L501 HydrophobicContact CB-CD1 3.8Å; P158-L501 HydrophobicContact CB-CD2 4.18Å; P158-L501 HydrophobicContact CG-CD1 3.62Å; V160-L501 HydrophobicContact CG2-CD2 4.04Å; Y163-L501 HydrophobicContact CE1-CD1 4.42Å; Y163-L501 HydrophobicContact CE2-CD1 3.82Å; D498-L501 HydrophobicContact CB-CB 4.47Å; D498-L501 HydrophobicContact CB-CD1 4.3Å; D498-L501 HydrophobicContact CB-CG 4.49Å; D498-L501 PolarHBondContact O-N 2.99Å; D498-L501 WeakPolarHBondContact OD2-CG 3.2Å; I499-L501 PolarHBondContact O-N 3.49Å
502N89.8Confident89Confident7 Ų736.7 Ų36.74%0.03721%0.207CC..Hα-helixtrans-119.115.3-167.7-56.6-75.1000114.2P292 F313 L497 D498 I499 P504 L505 A506P292-N502 WeakPolarHBondContact CD-OD1 3.44Å; P292-N502 VanDerWaalsContact CG-OD1 3.27Å; P292-N502 WeakPolarHBondContact CG-OD1 3.36Å; F313-N502 HydrophobicContact CD1-CB 4.35Å; F313-N502 HydrophobicContact CE1-CB 4.08Å; L497-N502 HydrophobicContact CB-CB 4.36Å; L497-N502 HydrophobicContact CD2-CB 4.22Å; D498-N502 WeakPolarHBondContact O-CB 3.29Å; D498-N502 PolarHBondContact O-N 2.73Å; D498-N502 PolarHBondContact O-ND2 3.48Å; I499-N502 PolarHBondContact O-N 2.75Å; N502-P504 VanDerWaalsContact C-CD 3.42Å; N502-P504 VanDerWaalsContact C-N 3.33Å; N502-L505 WeakPolarHBondContact O-CB 3.43Å; N502-L505 PolarHBondContact O-N 3.37Å; N502-A506 PolarHBondContact O-N 3.13Å
503W87.6Confident87.8Confident25 Ų2544.4 Ų44.410%0.09525%0.248CC..Hα-helixtrans-50.5-42.7176.4-174.5-106.7000114.4I499 L505 A506 E507 A511 G512I499-W503 HydrophobicContact CD1-CE3 3.83Å; I499-W503 HydrophobicContact CD1-CZ3 3.73Å; I499-W503 HydrophobicContact CG1-CE3 3.51Å; I499-W503 HydrophobicContact CG1-CZ3 3.97Å; I499-W503 WeakPolarHBondContact O-CB 3.15Å; I499-W503 PolarHBondContact O-N 3.11Å; W503-L505 PolarHBondContact O-N 2.99Å; W503-L505 VanDerWaalsContact O-N 3.11Å; W503-A506 HydrophobicContact CE3-CB 4.12Å; W503-A506 HydrophobicContact CZ3-CB 4.43Å; W503-A506 WeakPolarHBondContact O-CA 3.38Å; W503-A506 WeakPolarHBondContact O-CB 3.19Å; W503-A506 PolarHBondContact O-N 2.91Å; W503-E507 VanDerWaalsContact CD1-OE1 3.27Å; W503-E507 HydrophobicContact CD2-CG 4.38Å; W503-E507 HydrophobicContact CG-CG 4.45Å; W503-E507 HydrophobicContact CZ2-CG 4.23Å; W503-E507 PolarHBondContact NE1-OE1 2.99Å; W503-E507 PolarHBondContact O-N 3.22Å; W503-A511 HydrophobicContact CH2-CB 4Å; W503-A511 HydrophobicContact CZ3-CB 4.13Å; W503-G512 WeakPolarHBondContact CZ2-O 2.84Å
504P87.8Confident86.2Confident78 Ų7842.3 Ų42.351%0.50626%0.256SS..Hα-helixtrans-61.6-24.5178.1-24.435.5000114.3N502 R508N502-P504 VanDerWaalsContact C-CD 3.42Å; N502-P504 VanDerWaalsContact C-N 3.33Å; P504-R508 VanDerWaalsContact O-CG 3.31Å; P504-R508 WeakPolarHBondContact O-CG 3.42Å; P504-R508 PolarHBondContact O-N 3.06Å
505L89.3Confident84.3Confident43 Ų4347.2 Ų47.223%0.22528%0.282CS..Hα-helixtrans-77.6-40172.7177.862000110.9P292 L300 F313 L497 N502 W503 R508 L509P292-L505 HydrophobicContact CG-CD2 4.39Å; L300-L505 HydrophobicContact CD2-CD2 3.97Å; F313-L505 HydrophobicContact CE1-CB 4.35Å; F313-L505 HydrophobicContact CE1-CD2 4.26Å; F313-L505 HydrophobicContact CE1-CG 4.3Å; F313-L505 HydrophobicContact CZ-CD2 4.07Å; F313-L505 HydrophobicContact CZ-CG 4.05Å; L497-L505 HydrophobicContact CD2-CD2 4.09Å; N502-L505 WeakPolarHBondContact O-CB 3.43Å; N502-L505 PolarHBondContact O-N 3.37Å; W503-L505 PolarHBondContact O-N 2.99Å; W503-L505 VanDerWaalsContact O-N 3.11Å; L505-R508 PolarHBondContact O-N 2.77Å; L505-L509 HydrophobicContact CD1-CD1 4.43Å; L505-L509 HydrophobicContact CG-CD1 4.26Å; L505-L509 WeakPolarHBondContact O-CG 3.21Å; L505-L509 PolarHBondContact O-N 2Å
506A89.3Confident82.6Confident0 Ų055.5 Ų55.50%031%0.313CS..Hα-helixtrans-61.8-44.4176.200000111.5F313 N502 W503 R508 L509 G510 A511 F520F313-A506 HydrophobicContact CD1-CB 3.86Å; F313-A506 HydrophobicContact CD2-CB 4.49Å; F313-A506 HydrophobicContact CE1-CB 3.96Å; F313-A506 HydrophobicContact CG-CB 4.12Å; F313-A506 HydrophobicContact CZ-CB 4.33Å; N502-A506 PolarHBondContact O-N 3.13Å; W503-A506 HydrophobicContact CE3-CB 4.12Å; W503-A506 HydrophobicContact CZ3-CB 4.43Å; W503-A506 WeakPolarHBondContact O-CA 3.38Å; W503-A506 WeakPolarHBondContact O-CB 3.19Å; W503-A506 PolarHBondContact O-N 2.91Å; A506-R508 VanDerWaalsContact C-N 3.32Å; A506-R508 PolarHBondContact O-N 3.21Å; A506-L509 CarbonylContact O-C 3.52Å; A506-L509 WeakPolarHBondContact O-CA 3.5Å; A506-L509 PolarHBondContact O-N 3.24Å; A506-G510 PolarHBondContact O-N 3.02Å; A506-A511 VanDerWaalsContact C-CB 3.44Å; A506-A511 HydrophobicContact CB-CB 3.83Å; A506-A511 VanDerWaalsContact O-CB 3.25Å; A506-A511 WeakPolarHBondContact O-CB 3.4Å; A506-A511 PolarHBondContact O-N 3.49Å; A506-F520 HydrophobicContact CB-CD1 3.98Å; A506-F520 HydrophobicContact CB-CE1 4.42Å
507E87.4Confident81Confident76 Ų7661 Ų6136%0.35534%0.343SS..Hα-helixtrans-57.2-44.4175.3-71.9177.6155.800111.6W503 L509 G510W503-E507 VanDerWaalsContact CD1-OE1 3.27Å; W503-E507 HydrophobicContact CD2-CG 4.38Å; W503-E507 HydrophobicContact CG-CG 4.45Å; W503-E507 HydrophobicContact CZ2-CG 4.23Å; W503-E507 PolarHBondContact NE1-OE1 2.99Å; W503-E507 PolarHBondContact O-N 3.22Å; E507-L509 PolarHBondContact O-N 3.14Å; E507-G510 PolarHBondContact O-N 3.06Å
508R86.8Confident79.9Confident196 Ų19665 Ų6574%0.7437%0.37SS*.Hα-helixtrans-67.4-15.4176.8-72.3179-174.8-165.92.4114.2P504 L505 A506P504-R508 VanDerWaalsContact O-CG 3.31Å; P504-R508 WeakPolarHBondContact O-CG 3.42Å; P504-R508 PolarHBondContact O-N 3.06Å; L505-R508 PolarHBondContact O-N 2.77Å; A506-R508 VanDerWaalsContact C-N 3.32Å; A506-R508 PolarHBondContact O-N 3.21Å
509L89.6Confident79.6Confident18 Ų1866 Ų669%0.09438%0.378CS..THydrogen-bonded Turntrans-982.5174.2-68.5172.4000112.2L311 F313 L505 A506 E507 F520 V524 H531 V533L311-L509 HydrophobicContact CD1-CD1 4.06Å; F313-L509 HydrophobicContact CE2-CD1 3.99Å; F313-L509 HydrophobicContact CZ-CD1 3.94Å; L505-L509 HydrophobicContact CD1-CD1 4.43Å; L505-L509 HydrophobicContact CG-CD1 4.26Å; L505-L509 WeakPolarHBondContact O-CG 3.21Å; L505-L509 PolarHBondContact O-N 2Å; A506-L509 CarbonylContact O-C 3.52Å; A506-L509 WeakPolarHBondContact O-CA 3.5Å; A506-L509 PolarHBondContact O-N 3.24Å; E507-L509 PolarHBondContact O-N 3.14Å; L509-F520 HydrophobicContact CB-CE1 3.85Å; L509-F520 HydrophobicContact CB-CZ 4.05Å; L509-V524 HydrophobicContact CD1-CG2 4.2Å; L509-V524 HydrophobicContact CD2-CG2 3.85Å; L509-H531 HydrophobicContact CD2-CB 4.26Å; L509-H531 PolarHBondContact O-CD2 2.64Å; L509-H531 PolarHBondContact O-NE2 2.85Å; L509-V533 WeakPolarHBondContact O-CG2 3.45Å
510G86.6Confident79.6Confident20 Ų2066.7 Ų66.721%0.20638%0.381CS..THydrogen-bonded Turntrans101.115.5177.900000115.5A506 E507 G512 H563A506-G510 PolarHBondContact O-N 3.02Å; E507-G510 PolarHBondContact O-N 3.06Å; G510-G512 PolarHBondContact O-N 2.77Å; G510-H563 WeakPolarHBondContact CA-NE2 3.35Å
511A86.8Confident79.9Confident11 Ų1164.1 Ų64.19%0.09135%0.352CS..  trans-65.6127168.200000109.7W503 A506 F520W503-A511 HydrophobicContact CH2-CB 4Å; W503-A511 HydrophobicContact CZ3-CB 4.13Å; A506-A511 VanDerWaalsContact C-CB 3.44Å; A506-A511 HydrophobicContact CB-CB 3.83Å; A506-A511 VanDerWaalsContact O-CB 3.25Å; A506-A511 WeakPolarHBondContact O-CB 3.4Å; A506-A511 PolarHBondContact O-N 3.49Å; A511-F520 HydrophobicContact CB-CB 4.47Å; A511-F520 HydrophobicContact CB-CD1 4.19Å; A511-F520 HydrophobicContact CB-CD2 3.75Å; A511-F520 HydrophobicContact CB-CE1 4.37Å; A511-F520 HydrophobicContact CB-CE2 3.91Å; A511-F520 HydrophobicContact CB-CG 3.89Å; A511-F520 HydrophobicContact CB-CZ 4.23Å
512G77.8Confident80.3Confident53 Ų5361.4 Ų61.455%0.54634%0.338SS..  trans-69.9162.1-179.700000112.9W503 G510 G514W503-G512 WeakPolarHBondContact CZ2-O 2.84Å; G510-G512 PolarHBondContact O-N 2.77Å; G512-G514 PolarHBondContact O-N 3.03Å
513D65.8Low80.5Confident162 Ų16261.1 Ų61.187%0.86634%0.336SS*.SBendtrans-69.111.2179.5-152.214.1000113.6
514G59.9Low80.8Confident49 Ų4960.8 Ų60.851%0.50534%0.337SS..SBendtrans-90.3157.4-178.100000113.3G512G512-G514 PolarHBondContact O-N 3.03Å
515N53.3Low80.9Confident107 Ų10757.7 Ų57.757%0.57232%0.316SS*.  trans-21.8121.1-168.1-156.625.7000116.7D517 C518N515-D517 PolarHBondContact ND2-OD2 3.1Å; N515-D517 PolarHBondContact O-N 3.32Å; N515-C518 PolarHBondContact O-N 2.93Å; N515-C518 VanDerWaalsContact O-N 3.12Å
516R57.4Low81Confident176 Ų17659.2 Ų59.266%0.66433%0.325SS*.THydrogen-bonded Turntrans-62-1.3179.9-67.2-178177.8-178.3-0.2114.9
517D58.2Low80.9Confident117 Ų11767.4 Ų67.463%0.62636%0.36SS*.THydrogen-bonded Turntrans-87-10.7177-60.6-33.6000113N515N515-D517 PolarHBondContact ND2-OD2 3.1Å; N515-D517 PolarHBondContact O-N 3.32Å
518C70.1Confident80.8Confident82 Ų8270.7 Ų70.755%0.55437%0.37SS*.SBendtrans-85.1131.4-178.8-68.90000111.6I499 N515I499-C518 WeakPolarHBondContact CD1-O 3.42Å; N515-C518 PolarHBondContact O-N 2.93Å; N515-C518 VanDerWaalsContact O-N 3.12Å
519S84.9Confident80.8Confident37 Ų3769.9 Ų69.926%0.25938%0.375SS..  trans-66.5140.3170.754.70000110.9F313F313-S519 CarbonylContact O-C 3.54Å; F313-S519 VanDerWaalsContact O-CA 3.23Å; F313-S519 WeakPolarHBondContact O-CA 3.5Å
520F89.8Confident80.7Confident24 Ų2469.9 Ų69.911%0.10538%0.375CS..EExtended strand (participates in β ladder)trans-121.8137.6177.6173.5-101.3000110.1F313 A506 L509 A511 A522 V533F313-F520 HydrophobicContact CB-CB 4.15Å; F313-F520 WeakPolarHBondContact CB-O 3.4Å; F313-F520 AromaticContact CD2-CD1 3.57Å; F313-F520 HydrophobicContact CD2-CD1 3.57Å; F313-F520 HydrophobicContact CD2-CE1 4.27Å; F313-F520 AromaticContact CE2-CD1 3.99Å; F313-F520 HydrophobicContact CE2-CD1 3.99Å; F313-F520 HydrophobicContact CE2-CE1 4.25Å; F313-F520 HydrophobicContact CG-CD1 4.21Å; F313-F520 PolarHBondContact N-O 3.17Å; F313-F520 PolarHBondContact O-N 2.97Å; A506-F520 HydrophobicContact CB-CD1 3.98Å; A506-F520 HydrophobicContact CB-CE1 4.42Å; L509-F520 HydrophobicContact CB-CE1 3.85Å; L509-F520 HydrophobicContact CB-CZ 4.05Å; A511-F520 HydrophobicContact CB-CB 4.47Å; A511-F520 HydrophobicContact CB-CD1 4.19Å; A511-F520 HydrophobicContact CB-CD2 3.75Å; A511-F520 HydrophobicContact CB-CE1 4.37Å; A511-F520 HydrophobicContact CB-CE2 3.91Å; A511-F520 HydrophobicContact CB-CG 3.89Å; A511-F520 HydrophobicContact CB-CZ 4.23Å; F520-A522 HydrophobicContact CE1-CB 3.84Å; F520-A522 HydrophobicContact CZ-CB 4.04Å; F520-V533 HydrophobicContact CD2-CG1 4.47Å; F520-V533 HydrophobicContact CE2-CG1 3.54Å; F520-V533 HydrophobicContact CE2-CG2 4.21Å; F520-V533 HydrophobicContact CZ-CG1 4.08Å; F520-V533 HydrophobicContact CZ-CG2 3.93Å
521V92.8Very high80.9Confident9 Ų970.1 Ų70.16%0.05537%0.371CS..EExtended strand (participates in β ladder)trans-130.7130.9-177.3178.60000109.6L310 L311 L312 L534 L546 F549L310-V521 HydrophobicContact CD1-CG1 3.6Å; L310-V521 HydrophobicContact CG-CG1 4.44Å; L311-V521 WeakPolarHBondContact O-CA 3.23Å; L312-V521 HydrophobicContact CD1-CG2 3.52Å; V521-L534 HydrophobicContact CB-CB 3.88Å; V521-L534 HydrophobicContact CB-CD2 3.92Å; V521-L534 HydrophobicContact CG1-CB 4.24Å; V521-L534 HydrophobicContact CG1-CD2 4.38Å; V521-L534 HydrophobicContact CG2-CD2 4.16Å; V521-L534 PolarHBondContact O-N 3.45Å; V521-L546 HydrophobicContact CB-CD2 4.29Å; V521-L546 HydrophobicContact CG1-CD2 3.72Å; V521-L546 HydrophobicContact CG2-CD2 3.95Å; V521-F549 HydrophobicContact CG1-CD1 4.43Å; V521-F549 HydrophobicContact CG1-CE1 4.17Å
522A94.6Very high81.2Confident0 Ų071.1 Ų71.10%037%0.373CS..EExtended strand (participates in β ladder)trans-141.2145.1175.100000111.8L311 F520 Y532L311-A522 PolarHBondContact N-O 2.78Å; L311-A522 PolarHBondContact O-N 2.86Å; F520-A522 HydrophobicContact CE1-CB 3.84Å; F520-A522 HydrophobicContact CZ-CB 4.04Å; A522-Y532 CarbonylContact C-O 3.54Å; A522-Y532 WeakPolarHBondContact CA-O 3.49Å; A522-Y532 WeakPolarHBondContact CB-O 3.27Å
523I94.6Very high81.9Confident0 Ų069.9 Ų69.90%036%0.355CS..EExtended strand (participates in β ladder)trans-96.7124.3165.7-67.1166.5000107.8A309 L310 L492 H531 Y532 F549 F553A309-I523 CarbonylContact O-C 3.57Å; A309-I523 WeakPolarHBondContact O-CA 3.22Å; L310-I523 HydrophobicContact CB-CG1 4.32Å; L310-I523 HydrophobicContact CD1-CD1 4.14Å; L310-I523 HydrophobicContact CD1-CG1 3.4Å; L310-I523 HydrophobicContact CG-CG1 4.46Å; L492-I523 HydrophobicContact CD1-CD1 4.3Å; L492-I523 HydrophobicContact CD2-CD1 4.19Å; L492-I523 HydrophobicContact CD2-CG1 4.19Å; L492-I523 HydrophobicContact CD2-CG2 3.79Å; I523-H531 CarbonylContact O-C 3.53Å; I523-H531 WeakPolarHBondContact O-CA 3.47Å; I523-Y532 HydrophobicContact CB-CD2 4.18Å; I523-Y532 HydrophobicContact CG2-CD2 4.15Å; I523-Y532 PolarHBondContact N-O 3.42Å; I523-Y532 PolarHBondContact O-N 3.02Å; I523-F549 HydrophobicContact CB-CE1 4.32Å; I523-F549 HydrophobicContact CB-CZ 4.17Å; I523-F549 HydrophobicContact CD1-CD1 3.87Å; I523-F549 HydrophobicContact CD1-CE1 3.49Å; I523-F549 VanDerWaalsContact CD1-CE1 3.49Å; I523-F549 HydrophobicContact CD1-CE2 4.24Å; I523-F549 HydrophobicContact CD1-CG 4.41Å; I523-F549 HydrophobicContact CD1-CZ 3.68Å; I523-F549 HydrophobicContact CG1-CD1 4.25Å; I523-F549 HydrophobicContact CG1-CE1 3.48Å; I523-F549 VanDerWaalsContact CG1-CE1 3.48Å; I523-F549 HydrophobicContact CG1-CZ 3.77Å; I523-F553 HydrophobicContact CD1-CB 3.68Å; I523-F553 HydrophobicContact CD1-CD1 4.44Å; I523-F553 HydrophobicContact CD1-CD2 4.02Å; I523-F553 HydrophobicContact CD1-CG 3.77Å; I523-F553 HydrophobicContact CG2-CD2 3.82Å; I523-F553 HydrophobicContact CG2-CE2 3.64Å; I523-F553 HydrophobicContact CG2-CG 4.33Å; I523-F553 HydrophobicContact CG2-CZ 4.01Å
524V93.7Very high83Confident18 Ų1863.4 Ų63.411%0.10932%0.32CS..EExtended strand (participates in β ladder)trans-111.8128.7177.5-177.20000109.2L304 P308 A309 L311 L509 H531L304-V524 HydrophobicContact CD1-CG1 4.26Å; L304-V524 HydrophobicContact CD2-CB 4.36Å; L304-V524 HydrophobicContact CD2-CG1 4.36Å; P308-V524 WeakPolarHBondContact CA-O 3.34Å; A309-V524 PolarHBondContact N-O 3.38Å; A309-V524 PolarHBondContact O-N 3.33Å; L311-V524 HydrophobicContact CD1-CG2 3.73Å; L311-V524 HydrophobicContact CG-CG2 4.28Å; L509-V524 HydrophobicContact CD1-CG2 4.2Å; L509-V524 HydrophobicContact CD2-CG2 3.85Å; V524-H531 HydrophobicContact CG2-CB 4.18Å
525N91.4Very high84Confident13 Ų1369.4 Ų69.47%0.0734%0.335CS..EExtended strand (participates in β ladder)trans-125.794.7177.2-170.6-16000110.2K527 Y528 E529 V530N525-K527 VanDerWaalsContact C-N 3.31Å; N525-K527 PolarHBondContact O-N 3.14Å; N525-K527 PolarHBondContact OD1-N 3.25Å; N525-Y528 VanDerWaalsContact ND2-CD2 3.29Å; N525-Y528 WeakPolarHBondContact ND2-CD2 3.25Å; N525-Y528 PolarHBondContact O-N 3.42Å; N525-E529 PolarHBondContact O-N 3.34Å; N525-E529 VanDerWaalsContact O-N 3.12Å; N525-V530 HydrophobicContact CB-CG2 4.07Å; N525-V530 PolarHBondContact N-O 3.01Å; N525-V530 PolarHBondContact O-N 3.45Å
526L90Very high84.8Confident76 Ų7668.8 Ų68.840%0.39833%0.328SS..G310 helixtrans-62.4-35.8-173.9-172.263.9000112.7L304 T305 Y528 E529L304-L526 HydrophobicContact CB-CB 4.28Å; L304-L526 HydrophobicContact CB-CD2 4.07Å; T305-L526 HydrophobicContact CG2-CD2 3.77Å; L526-Y528 PolarHBondContact O-N 3.26Å; L526-E529 PolarHBondContact O-N 2.86Å; L526-E529 VanDerWaalsContact O-N 3.15Å
527K87.3Confident85.4Confident172 Ų17264.7 Ų64.775%0.74832%0.319SS*.G310 helixtrans-60.6-34-178.5179.9177.7178.1-177.60113N525N525-K527 VanDerWaalsContact C-N 3.31Å; N525-K527 PolarHBondContact O-N 3.14Å; N525-K527 PolarHBondContact OD1-N 3.25Å
528Y85.1Confident85.8Confident144 Ų14464.4 Ų64.457%0.56532%0.324SS*.G310 helixtrans-105.94.7-179.3-62.8-81.8000112.2N525 L526 V530N525-Y528 VanDerWaalsContact ND2-CD2 3.29Å; N525-Y528 WeakPolarHBondContact ND2-CD2 3.25Å; N525-Y528 PolarHBondContact O-N 3.42Å; L526-Y528 PolarHBondContact O-N 3.26Å; Y528-V530 WeakPolarHBondContact O-CG1 3.44Å; Y528-V530 PolarHBondContact O-N 3.43Å; Y528-V530 VanDerWaalsContact O-N 3.16Å
529E86.5Confident85.5Confident179 Ų17967.6 Ų67.684%0.83634%0.336SS*.THydrogen-bonded Turntrans51.835.6-178.1-57.4-176.316100113.3N525 L526N525-E529 PolarHBondContact O-N 3.34Å; N525-E529 VanDerWaalsContact O-N 3.12Å; L526-E529 PolarHBondContact O-N 2.86Å; L526-E529 VanDerWaalsContact O-N 3.15Å
530V87.5Confident85Confident18 Ų1866.8 Ų66.811%0.10933%0.331CS..EExtended strand (participates in β ladder)trans-120.7147.2179.4-66.50000111.1N525 Y528 Y532 R562N525-V530 HydrophobicContact CB-CG2 4.07Å; N525-V530 PolarHBondContact N-O 3.01Å; N525-V530 PolarHBondContact O-N 3.45Å; Y528-V530 WeakPolarHBondContact O-CG1 3.44Å; Y528-V530 PolarHBondContact O-N 3.43Å; Y528-V530 VanDerWaalsContact O-N 3.16Å; V530-Y532 HydrophobicContact CB-CE2 4.48Å; V530-Y532 HydrophobicContact CG2-CE2 3.8Å; V530-R562 HydrophobicContact CB-CB 4.28Å; V530-R562 HydrophobicContact CG1-CB 4.03Å
531H92.3Very high84.5Confident25 Ų2568.9 Ų68.912%0.11635%0.346CS..EExtended strand (participates in β ladder)trans-130.4152.7166.364.9-76.9000109.9L509 I523 V524 H563L509-H531 HydrophobicContact CD2-CB 4.26Å; L509-H531 PolarHBondContact O-CD2 2.64Å; L509-H531 PolarHBondContact O-NE2 2.85Å; I523-H531 CarbonylContact O-C 3.53Å; I523-H531 WeakPolarHBondContact O-CA 3.47Å; V524-H531 HydrophobicContact CG2-CB 4.18Å; H531-H563 PolarHBondContact CE1-O 3.38Å; H531-H563 VanDerWaalsContact CE1-O 3.26Å; H531-H563 AromaticContact NE2-CD2 3.52Å; H531-H563 PolarHBondContact O-N 3.48Å
532Y92.1Very high83.8Confident32 Ų3271.1 Ų71.113%0.12536%0.357CS..EExtended strand (participates in β ladder)trans-124.1134.7180-53.2-84.2000107.5A522 I523 V530 F553 L560 Q561A522-Y532 CarbonylContact C-O 3.54Å; A522-Y532 WeakPolarHBondContact CA-O 3.49Å; A522-Y532 WeakPolarHBondContact CB-O 3.27Å; I523-Y532 HydrophobicContact CB-CD2 4.18Å; I523-Y532 HydrophobicContact CG2-CD2 4.15Å; I523-Y532 PolarHBondContact N-O 3.42Å; I523-Y532 PolarHBondContact O-N 3.02Å; V530-Y532 HydrophobicContact CB-CE2 4.48Å; V530-Y532 HydrophobicContact CG2-CE2 3.8Å; Y532-F553 HydrophobicContact CD2-CD2 4.05Å; Y532-F553 HydrophobicContact CD2-CE2 4.09Å; Y532-F553 AromaticContact CE2-CD2 3.96Å; Y532-F553 HydrophobicContact CE2-CD2 3.96Å; Y532-F553 AromaticContact CE2-CE2 3.72Å; Y532-F553 HydrophobicContact CE2-CE2 3.72Å; Y532-L560 HydrophobicContact CD1-CB 3.41Å; Y532-L560 VanDerWaalsContact CD1-CB 3.41Å; Y532-L560 HydrophobicContact CD1-CD1 4.35Å; Y532-L560 HydrophobicContact CE1-CB 3.7Å; Y532-L560 VanDerWaalsContact CE1-O 3.31Å; Y532-L560 WeakPolarHBondContact CE1-O 3.44Å; Y532-L560 HydrophobicContact CG-CB 4.09Å; Y532-L560 HydrophobicContact CG-CD1 4.21Å; Y532-Q561 VanDerWaalsContact CD1-O 3.32Å; Y532-Q561 WeakPolarHBondContact CD1-O 3.41Å
533V91.9Very high83.2Confident28 Ų2872.9 Ų72.917%0.1737%0.368CS..EExtended strand (participates in β ladder)trans-105.5135.6178.9175.20000109L509 F520 Q535 H563L509-V533 WeakPolarHBondContact O-CG2 3.45Å; F520-V533 HydrophobicContact CD2-CG1 4.47Å; F520-V533 HydrophobicContact CE2-CG1 3.54Å; F520-V533 HydrophobicContact CE2-CG2 4.21Å; F520-V533 HydrophobicContact CZ-CG1 4.08Å; F520-V533 HydrophobicContact CZ-CG2 3.93Å; V533-Q535 PolarHBondContact O-N 3.25Å; V533-H563 HydrophobicContact CB-CB 4.35Å; V533-H563 HydrophobicContact CG2-CB 3.79Å; V533-H563 VanDerWaalsContact CG2-CG 3.5Å
534L89.1Confident82.8Confident26 Ų2677.7 Ų77.714%0.13639%0.391CS..  trans-67.4115.7173.4179.970.1000109.5V521 H536 S545 L546 F549V521-L534 HydrophobicContact CB-CB 3.88Å; V521-L534 HydrophobicContact CB-CD2 3.92Å; V521-L534 HydrophobicContact CG1-CB 4.24Å; V521-L534 HydrophobicContact CG1-CD2 4.38Å; V521-L534 HydrophobicContact CG2-CD2 4.16Å; V521-L534 PolarHBondContact O-N 3.45Å; L534-H536 PolarHBondContact O-N 2.94Å; L534-S545 WeakPolarHBondContact CD1-O 3.29Å; L534-L546 HydrophobicContact CD2-CD2 3.91Å; L534-L546 HydrophobicContact CD2-CG 4.21Å; L534-F549 HydrophobicContact CB-CD1 4.21Å; L534-F549 HydrophobicContact CB-CE1 4.18Å; L534-F549 HydrophobicContact CD1-CB 3.44Å; L534-F549 VanDerWaalsContact CD1-CB 3.44Å; L534-F549 HydrophobicContact CD1-CD1 3.88Å; L534-F549 HydrophobicContact CD1-CD2 4.16Å; L534-F549 HydrophobicContact CD1-CG 3.6Å
535Q80.7Confident82.5Confident175 Ų17577.1 Ų77.182%0.81839%0.387SS*.  trans-86.4109.1168.5-66.7-178.9-1.800108.2V533 N537V533-Q535 PolarHBondContact O-N 3.25Å; Q535-N537 PolarHBondContact O-N 3.39Å
536H71.6Confident82.4Confident94 Ų9477.2 Ų77.244%0.43539%0.388SS..  trans-79.3122.4178.4-172.850.2000110L534 A540 S545L534-H536 PolarHBondContact O-N 2.94Å; H536-A540 PolarHBondContact CE1-O 2.86Å; H536-S545 PolarHBondContact ND1-OG 2.72Å
537N69.9Low82.4Confident89 Ų8975.1 Ų75.148%0.47638%0.376SS..  trans-81.6124.1170.5-169.13.2000108.2Q535 D539 A540Q535-N537 PolarHBondContact O-N 3.39Å; N537-D539 PolarHBondContact O-N 2.93Å; N537-A540 HydrophobicContact CB-CB 4.35Å; N537-A540 PolarHBondContact O-N 3.08Å; N537-A540 VanDerWaalsContact O-N 3.11Å
538P65.9Low82.4Confident111 Ų11171.6 Ų71.672%0.72136%0.363SS*.THydrogen-bonded Turntrans-56-21.9-178.820.6-35.1000114.6
539D63.5Low82.7Confident149 Ų14965.1 Ų65.180%0.79734%0.338SS*.THydrogen-bonded Turntrans-90.2-8.3-177.2-59.1-31.7000114.1N537N537-D539 PolarHBondContact O-N 2.93Å
540A74.2Confident82.9Confident20 Ų2056.7 Ų56.717%0.16530%0.299CS..SBendtrans-109.4150.8-176.900000111.8H536 N537H536-A540 PolarHBondContact CE1-O 2.86Å; N537-A540 HydrophobicContact CB-CB 4.35Å; N537-A540 PolarHBondContact O-N 3.08Å; N537-A540 VanDerWaalsContact O-N 3.11Å
541T79.9Confident83Confident68 Ų6859 Ų5942%0.41731%0.306SS..  trans-67154.117163.10000110.8T543 E544 S545T541-T543 WeakPolarHBondContact CB-OG1 3.5Å; T541-T543 PolarHBondContact O-N 2.81Å; T541-T543 PolarHBondContact OG1-OG1 3.05Å; T541-E544 PolarHBondContact N-OE2 2.77Å; T541-E544 PolarHBondContact O-N 3.33Å; T541-E544 WeakPolarHBondContact OG1-CB 3.4Å; T541-E544 WeakPolarHBondContact OG1-CG 3.44Å; T541-E544 PolarHBondContact OG1-N 2.97Å; T541-E544 PolarHBondContact OG1-OE2 3.21Å; T541-S545 PolarHBondContact O-N 3.3Å; T541-S545 PolarHBondContact O-OG 2.95Å
542L78.1Confident82.8Confident56 Ų5660.9 Ų60.929%0.29332%0.317SS..Hα-helixtrans-57.8-39.1175.4-76.6167.6000111.5L325 S545 L546L325-L542 HydrophobicContact CD2-CD1 3.77Å; L542-S545 PolarHBondContact O-N 3.12Å; L542-L546 WeakPolarHBondContact O-CB 3.41Å; L542-L546 VanDerWaalsContact O-CG 3.23Å; L542-L546 WeakPolarHBondContact O-CG 3.4Å; L542-L546 PolarHBondContact O-N 3.37Å
543T82.6Confident82.7Confident37 Ų3759.5 Ų59.523%0.22731%0.311CS..Hα-helixtrans-56.4-55.1173.428.90000111.6E328 I332 T541 S545 L546 E547E328-T543 HydrophobicContact CB-CG2 4.09Å; E328-T543 HydrophobicContact CG-CG2 4.31Å; I332-T543 HydrophobicContact CD1-CG2 4.16Å; T541-T543 WeakPolarHBondContact CB-OG1 3.5Å; T541-T543 PolarHBondContact O-N 2.81Å; T541-T543 PolarHBondContact OG1-OG1 3.05Å; T543-S545 VanDerWaalsContact C-N 3.31Å; T543-S545 PolarHBondContact O-N 2.94Å; T543-L546 WeakPolarHBondContact O-CB 3.34Å; T543-L546 PolarHBondContact O-N 2.83Å; T543-E547 WeakPolarHBondContact O-CB 2.99Å; T543-E547 VanDerWaalsContact O-CG 3.23Å; T543-E547 WeakPolarHBondContact O-CG 3.28Å; T543-E547 PolarHBondContact O-N 2.91Å
544E85.1Confident82.5Confident102 Ų10258.5 Ų58.548%0.47731%0.305SS..Hα-helixtrans-61.4-40.1179.8-71.3158165.700112.1T541 E547 M548T541-E544 PolarHBondContact N-OE2 2.77Å; T541-E544 PolarHBondContact O-N 3.33Å; T541-E544 WeakPolarHBondContact OG1-CB 3.4Å; T541-E544 WeakPolarHBondContact OG1-CG 3.44Å; T541-E544 PolarHBondContact OG1-N 2.97Å; T541-E544 PolarHBondContact OG1-OE2 3.21Å; E544-E547 WeakPolarHBondContact O-CB 3.39Å; E544-E547 PolarHBondContact O-N 2.95Å; E544-M548 WeakPolarHBondContact O-CG 3.33Å; E544-M548 PolarHBondContact O-N 2.83Å
545S88.2Confident82.2Confident5 Ų558.6 Ų58.64%0.03531%0.308CS..Hα-helixtrans-60.9-46.8176.2-59.40000111.5L534 H536 T541 L542 T543 E547 F549L534-S545 WeakPolarHBondContact CD1-O 3.29Å; H536-S545 PolarHBondContact ND1-OG 2.72Å; T541-S545 PolarHBondContact O-N 3.3Å; T541-S545 PolarHBondContact O-OG 2.95Å; L542-S545 PolarHBondContact O-N 3.12Å; T543-S545 VanDerWaalsContact C-N 3.31Å; T543-S545 PolarHBondContact O-N 2.94Å; S545-E547 VanDerWaalsContact C-N 3.29Å; S545-E547 PolarHBondContact O-N 2.87Å; S545-F549 VanDerWaalsContact O-CB 3.27Å; S545-F549 WeakPolarHBondContact O-CB 3.31Å; S545-F549 PolarHBondContact O-N 3.45Å
546L89.1Confident81.8Confident15 Ų1555.3 Ų55.38%0.07930%0.302CS..Hα-helixtrans-61.7-40.4175.1-76.6168.2000111.5F329 I332 V521 L534 L542 T543 F549 I550F329-L546 HydrophobicContact CD2-CD1 4.37Å; I332-L546 HydrophobicContact CD1-CB 3.99Å; I332-L546 HydrophobicContact CD1-CD1 3.97Å; V521-L546 HydrophobicContact CB-CD2 4.29Å; V521-L546 HydrophobicContact CG1-CD2 3.72Å; V521-L546 HydrophobicContact CG2-CD2 3.95Å; L534-L546 HydrophobicContact CD2-CD2 3.91Å; L534-L546 HydrophobicContact CD2-CG 4.21Å; L542-L546 WeakPolarHBondContact O-CB 3.41Å; L542-L546 VanDerWaalsContact O-CG 3.23Å; L542-L546 WeakPolarHBondContact O-CG 3.4Å; L542-L546 PolarHBondContact O-N 3.37Å; T543-L546 WeakPolarHBondContact O-CB 3.34Å; T543-L546 PolarHBondContact O-N 2.83Å; L546-F549 PolarHBondContact O-N 2.88Å; L546-I550 VanDerWaalsContact O-CG1 3.32Å; L546-I550 WeakPolarHBondContact O-CG1 3.26Å; L546-I550 PolarHBondContact O-N 3.12Å
547E89.3Confident82Confident33 Ų3358.3 Ų58.315%0.15432%0.316CS..Hα-helixtrans-63-50.3-179.4-73.8-149.5-168.600111.7R335 I481 T543 E544 S545 F549 I550 R551R335-E547 IonicContact CZ-OE1 3.9Å; R335-E547 IonicContact NH1-OE1 3.12Å; R335-E547 PolarHBondContact NH1-OE1 3.28Å; R335-E547 IonicContact NH1-OE2 2.77Å; R335-E547 IonicContact NH2-OE1 2.62Å; R335-E547 PolarHBondContact NH2-OE1 2.87Å; I481-E547 HydrophobicContact CD1-CB 3.32Å; I481-E547 HydrophobicContact CD1-CG 3.35Å; I481-E547 WeakPolarHBondContact CD1-O 3.5Å; I481-E547 HydrophobicContact CG1-CB 4.41Å; T543-E547 WeakPolarHBondContact O-CB 2.99Å; T543-E547 VanDerWaalsContact O-CG 3.23Å; T543-E547 WeakPolarHBondContact O-CG 3.28Å; T543-E547 PolarHBondContact O-N 2.91Å; E544-E547 WeakPolarHBondContact O-CB 3.39Å; E544-E547 PolarHBondContact O-N 2.95Å; S545-E547 VanDerWaalsContact C-N 3.29Å; S545-E547 PolarHBondContact O-N 2.87Å; E547-F549 VanDerWaalsContact C-N 3.28Å; E547-F549 PolarHBondContact O-N 3.15Å; E547-I550 PolarHBondContact O-N 3.26Å; E547-R551 VanDerWaalsContact O-CG 3.3Å; E547-R551 WeakPolarHBondContact O-CG 3.01Å; E547-R551 PolarHBondContact O-N 3.33Å; E547-R551 VanDerWaalsContact O-N 3.09Å; E547-R551 IonicContact OE2-NH2 3.82Å; E547-R551 PolarHBondContact OE2-NH2 3.44Å
548M88.3Confident82.2Confident97 Ų9755.8 Ų55.848%0.47831%0.305SS..Hα-helixtrans-60.1-40.1175.2-70.5-173.7-71.800111.7E544 R551 N552E544-M548 WeakPolarHBondContact O-CG 3.33Å; E544-M548 PolarHBondContact O-N 2.83Å; M548-R551 PolarHBondContact O-N 2.9Å; M548-N552 WeakPolarHBondContact O-CB 3.33Å; M548-N552 PolarHBondContact O-N 2.88Å; M548-N552 PolarHBondContact O-ND2 2.76Å
549F90.8Very high82.8Confident9 Ų957.5 Ų57.54%0.03930%0.303CS..Hα-helixtrans-63.3-44.3179.6-175.4-129.6000112.9L310 V521 I523 L534 S545 L546 E547 N552 F553 L560L310-F549 HydrophobicContact CD1-CD1 4.12Å; L310-F549 HydrophobicContact CD1-CE1 3.87Å; V521-F549 HydrophobicContact CG1-CD1 4.43Å; V521-F549 HydrophobicContact CG1-CE1 4.17Å; I523-F549 HydrophobicContact CB-CE1 4.32Å; I523-F549 HydrophobicContact CB-CZ 4.17Å; I523-F549 HydrophobicContact CD1-CD1 3.87Å; I523-F549 HydrophobicContact CD1-CE1 3.49Å; I523-F549 VanDerWaalsContact CD1-CE1 3.49Å; I523-F549 HydrophobicContact CD1-CE2 4.24Å; I523-F549 HydrophobicContact CD1-CG 4.41Å; I523-F549 HydrophobicContact CD1-CZ 3.68Å; I523-F549 HydrophobicContact CG1-CD1 4.25Å; I523-F549 HydrophobicContact CG1-CE1 3.48Å; I523-F549 VanDerWaalsContact CG1-CE1 3.48Å; I523-F549 HydrophobicContact CG1-CZ 3.77Å; L534-F549 HydrophobicContact CB-CD1 4.21Å; L534-F549 HydrophobicContact CB-CE1 4.18Å; L534-F549 HydrophobicContact CD1-CB 3.44Å; L534-F549 VanDerWaalsContact CD1-CB 3.44Å; L534-F549 HydrophobicContact CD1-CD1 3.88Å; L534-F549 HydrophobicContact CD1-CD2 4.16Å; L534-F549 HydrophobicContact CD1-CG 3.6Å; S545-F549 VanDerWaalsContact O-CB 3.27Å; S545-F549 WeakPolarHBondContact O-CB 3.31Å; S545-F549 PolarHBondContact O-N 3.45Å; L546-F549 PolarHBondContact O-N 2.88Å; E547-F549 VanDerWaalsContact C-N 3.28Å; E547-F549 PolarHBondContact O-N 3.15Å; F549-N552 PolarHBondContact O-N 3.4Å; F549-F553 PolarHBondContact O-N 3.4Å; F549-F553 VanDerWaalsContact O-N 3.12Å; F549-L560 HydrophobicContact CD2-CD1 3.8Å; F549-L560 HydrophobicContact CD2-CD2 3.81Å; F549-L560 HydrophobicContact CD2-CG 4.49Å; F549-L560 HydrophobicContact CE2-CD1 3.62Å; F549-L560 HydrophobicContact CE2-CD2 3.99Å; F549-L560 HydrophobicContact CE2-CG 4.44Å
550I91.1Very high83.8Confident1 Ų152 Ų521%0.00527%0.274CS..Hα-helixtrans-63-44.2175.8-69.9165.2000110.6L310 I332 Y336 I481 L484 L492 F494 L546 E547 F553 S554L310-I550 HydrophobicContact CD2-CD1 3.97Å; L310-I550 HydrophobicContact CD2-CG1 4.08Å; I332-I550 HydrophobicContact CG2-CD1 3.58Å; Y336-I550 HydrophobicContact CD2-CG2 3.81Å; Y336-I550 HydrophobicContact CE2-CG2 3.96Å; I481-I550 HydrophobicContact CD1-CB 4.45Å; L484-I550 HydrophobicContact CD2-CG2 4.1Å; L492-I550 HydrophobicContact CD1-CB 4.45Å; L492-I550 HydrophobicContact CD1-CG1 4.35Å; L492-I550 HydrophobicContact CD1-CG2 3.97Å; F494-I550 HydrophobicContact CE1-CD1 3.89Å; F494-I550 HydrophobicContact CZ-CD1 4.02Å; L546-I550 VanDerWaalsContact O-CG1 3.32Å; L546-I550 WeakPolarHBondContact O-CG1 3.26Å; L546-I550 PolarHBondContact O-N 3.12Å; E547-I550 PolarHBondContact O-N 3.26Å; I550-F553 PolarHBondContact O-N 2.96Å; I550-S554 WeakPolarHBondContact O-CB 3.41Å; I550-S554 PolarHBondContact O-N 2.86Å; I550-S554 PolarHBondContact O-OG 3.31Å
551R88.6Confident84.2Confident67 Ų6759.5 Ų59.525%0.25331%0.305SS..Hα-helixtrans-62-47.4178.3-68.6174.4-167.8-152.63.6112.1D479 I481 E547 M548 F553 S554 S555D479-R551 PolarHBondContact O-NH1 3.46Å; D479-R551 PolarHBondContact O-NH2 3.14Å; D479-R551 IonicContact OD1-NH1 3.6Å; D479-R551 PolarHBondContact OD1-NH1 2.92Å; I481-R551 HydrophobicContact CD1-CG 4.47Å; I481-R551 HydrophobicContact CG1-CG 3.94Å; E547-R551 VanDerWaalsContact O-CG 3.3Å; E547-R551 WeakPolarHBondContact O-CG 3.01Å; E547-R551 PolarHBondContact O-N 3.33Å; E547-R551 VanDerWaalsContact O-N 3.09Å; E547-R551 IonicContact OE2-NH2 3.82Å; E547-R551 PolarHBondContact OE2-NH2 3.44Å; M548-R551 PolarHBondContact O-N 2.9Å; R551-F553 PolarHBondContact O-N 3.4Å; R551-S554 PolarHBondContact O-N 2.88Å; R551-S555 PolarHBondContact O-N 3.28Å
552N89.8Confident84.6Confident65 Ų6561.2 Ų61.235%0.34830%0.304SS..Hα-helixtrans-64.2-26.6179.9-71-12.6000112.9M548 F549 S555 S558 L560M548-N552 WeakPolarHBondContact O-CB 3.33Å; M548-N552 PolarHBondContact O-N 2.88Å; M548-N552 PolarHBondContact O-ND2 2.76Å; F549-N552 PolarHBondContact O-N 3.4Å; N552-S555 PolarHBondContact O-OG 2.91Å; N552-S558 WeakPolarHBondContact O-CA 3.42Å; N552-S558 PolarHBondContact O-OG 3.47Å; N552-L560 HydrophobicContact CB-CD1 4.35Å; N552-L560 HydrophobicContact CB-CD2 3.78Å; N552-L560 HydrophobicContact CB-CG 3.84Å
553F89.3Confident85.1Confident3 Ų361.3 Ų61.31%0.01330%0.303CS..Hα-helixtrans-77.3-45.4172.2-179.7-95.4000112.3P308 R490 L492 I523 Y532 F549 I550 R551 S555 L560P308-F553 HydrophobicContact CB-CE1 3.85Å; P308-F553 HydrophobicContact CB-CZ 3.56Å; P308-F553 HydrophobicContact CG-CE1 4.18Å; P308-F553 HydrophobicContact CG-CZ 3.83Å; R490-F553 HydrophobicContact CB-CE1 4.31Å; L492-F553 HydrophobicContact CD1-CB 4.48Å; L492-F553 HydrophobicContact CD1-CD1 3.59Å; L492-F553 HydrophobicContact CD1-CE1 4.24Å; L492-F553 HydrophobicContact CD1-CG 4.31Å; L492-F553 HydrophobicContact CD2-CD1 3.62Å; L492-F553 HydrophobicContact CD2-CE1 3.5Å; L492-F553 VanDerWaalsContact CD2-CE1 3.5Å; L492-F553 HydrophobicContact CD2-CG 4.37Å; L492-F553 HydrophobicContact CD2-CZ 4.18Å; L492-F553 HydrophobicContact CG-CD1 3.62Å; L492-F553 HydrophobicContact CG-CE1 3.72Å; I523-F553 HydrophobicContact CD1-CB 3.68Å; I523-F553 HydrophobicContact CD1-CD1 4.44Å; I523-F553 HydrophobicContact CD1-CD2 4.02Å; I523-F553 HydrophobicContact CD1-CG 3.77Å; I523-F553 HydrophobicContact CG2-CD2 3.82Å; I523-F553 HydrophobicContact CG2-CE2 3.64Å; I523-F553 HydrophobicContact CG2-CG 4.33Å; I523-F553 HydrophobicContact CG2-CZ 4.01Å; Y532-F553 HydrophobicContact CD2-CD2 4.05Å; Y532-F553 HydrophobicContact CD2-CE2 4.09Å; Y532-F553 AromaticContact CE2-CD2 3.96Å; Y532-F553 HydrophobicContact CE2-CD2 3.96Å; Y532-F553 AromaticContact CE2-CE2 3.72Å; Y532-F553 HydrophobicContact CE2-CE2 3.72Å; F549-F553 PolarHBondContact O-N 3.4Å; F549-F553 VanDerWaalsContact O-N 3.12Å; I550-F553 PolarHBondContact O-N 2.96Å; R551-F553 PolarHBondContact O-N 3.4Å; F553-S555 VanDerWaalsContact C-N 3.29Å; F553-S555 PolarHBondContact O-N 2.99Å; F553-L560 HydrophobicContact CB-CD1 3.69Å; F553-L560 HydrophobicContact CD2-CD1 4.29Å
554S86.9Confident85.2Confident7 Ų762 Ų625%0.04931%0.305CS..Hα-helixtrans-76.3-11.9-174.7-74.80000114I550 R551I550-S554 WeakPolarHBondContact O-CB 3.41Å; I550-S554 PolarHBondContact O-N 2.86Å; I550-S554 PolarHBondContact O-OG 3.31Å; R551-S554 PolarHBondContact O-N 2.88Å
555S83.3Confident85.3Confident27 Ų2758.8 Ų58.819%0.18929%0.292CS..SBendtrans-62.5148.617364.10000111.9R490 R551 N552 F553 H557R490-S555 PolarHBondContact NH1-O 2.71Å; R551-S555 PolarHBondContact O-N 3.28Å; N552-S555 PolarHBondContact O-OG 2.91Å; F553-S555 VanDerWaalsContact C-N 3.29Å; F553-S555 PolarHBondContact O-N 2.99Å; S555-H557 VanDerWaalsContact C-N 3.32Å; S555-H557 PolarHBondContact O-N 2.86Å; S555-H557 PolarHBondContact OG-O 3.39Å
556P73.5Confident85.1Confident107 Ų10760.1 Ų60.170%0.69531%0.307SS*.SBendtrans-55.5-47.5178.7-24.232.7000112.1R490R490-P556 PolarHBondContact NH1-O 3.09Å; R490-P556 PolarHBondContact NH2-O 3.38Å
557H74.6Confident84.7Confident157 Ų15763 Ų6373%0.72732%0.32SS*.SBendtrans-97.4100169.2-57.795.5000107.8S555 H559S555-H557 VanDerWaalsContact C-N 3.32Å; S555-H557 PolarHBondContact O-N 2.86Å; S555-H557 PolarHBondContact OG-O 3.39Å; H557-H559 PolarHBondContact O-N 3.32Å
558S74.8Confident83.9Confident35 Ų3567.1 Ų67.125%0.24534%0.343CS..  trans-69.8125.1179-173.80000109.2N552 L560N552-S558 WeakPolarHBondContact O-CA 3.42Å; N552-S558 PolarHBondContact O-OG 3.47Å; S558-L560 PolarHBondContact OG-N 3.33Å
559H77.3Confident82.9Confident147 Ų14765.4 Ų65.468%0.68134%0.335SS*.  trans-80.8-5.9174.5-62-75.2000112.3H557H557-H559 PolarHBondContact O-N 3.32Å
560L85Confident81.3Confident34 Ų3475.7 Ų75.718%0.17837%0.374CS..PPolyproline II helixtrans-75.2129179.7-60.4177.6000110Y532 F549 N552 F553 S558Y532-L560 HydrophobicContact CD1-CB 3.41Å; Y532-L560 VanDerWaalsContact CD1-CB 3.41Å; Y532-L560 HydrophobicContact CD1-CD1 4.35Å; Y532-L560 HydrophobicContact CE1-CB 3.7Å; Y532-L560 VanDerWaalsContact CE1-O 3.31Å; Y532-L560 WeakPolarHBondContact CE1-O 3.44Å; Y532-L560 HydrophobicContact CG-CB 4.09Å; Y532-L560 HydrophobicContact CG-CD1 4.21Å; F549-L560 HydrophobicContact CD2-CD1 3.8Å; F549-L560 HydrophobicContact CD2-CD2 3.81Å; F549-L560 HydrophobicContact CD2-CG 4.49Å; F549-L560 HydrophobicContact CE2-CD1 3.62Å; F549-L560 HydrophobicContact CE2-CD2 3.99Å; F549-L560 HydrophobicContact CE2-CG 4.44Å; N552-L560 HydrophobicContact CB-CD1 4.35Å; N552-L560 HydrophobicContact CB-CD2 3.78Å; N552-L560 HydrophobicContact CB-CG 3.84Å; F553-L560 HydrophobicContact CB-CD1 3.69Å; F553-L560 HydrophobicContact CD2-CD1 4.29Å; S558-L560 PolarHBondContact OG-N 3.33Å
561Q83.7Confident79.5Confident178 Ų17883.2 Ų83.283%0.83241%0.409SS*.PPolyproline II helixtrans-86.1137.9171.2-65.3-177.1-8.500109.5Y532 H563Y532-Q561 VanDerWaalsContact CD1-O 3.32Å; Y532-Q561 WeakPolarHBondContact CD1-O 3.41Å; Q561-H563 PolarHBondContact O-N 2.96Å
562R86.9Confident77.8Confident103 Ų10383 Ų8339%0.38941%0.411SS..PPolyproline II helixtrans-55.6136.9172.761.4178144.2-162.2-5109.7V530 W643 E644V530-R562 HydrophobicContact CB-CB 4.28Å; V530-R562 HydrophobicContact CG1-CB 4.03Å; R562-W643 VanDerWaalsContact NH2-CD1 3.31Å; R562-E644 IonicContact NH2-OE1 3.38Å
563H88.7Confident76Confident58 Ų5890.3 Ų90.327%0.26944%0.44SS..PPolyproline II helixtrans-82.2137.1172.1-168.570000109.2G510 H531 V533 Q561G510-H563 WeakPolarHBondContact CA-NE2 3.35Å; H531-H563 PolarHBondContact CE1-O 3.38Å; H531-H563 VanDerWaalsContact CE1-O 3.26Å; H531-H563 AromaticContact NE2-CD2 3.52Å; H531-H563 PolarHBondContact O-N 3.48Å; V533-H563 HydrophobicContact CB-CB 4.35Å; V533-H563 HydrophobicContact CG2-CB 3.79Å; V533-H563 VanDerWaalsContact CG2-CG 3.5Å; Q561-H563 PolarHBondContact O-N 2.96Å
564L85.5Confident74.4Confident53 Ų5397.6 Ų97.628%0.27747%0.474SS..  trans-118.6124.5173.8-63177.5000106.7T583 D640 P642L564-T583 HydrophobicContact CB-CG2 3.31Å; L564-T583 HydrophobicContact CD1-CG2 4.13Å; L564-T583 HydrophobicContact CG-CG2 4.37Å; L564-D640 HydrophobicContact CB-CB 4.01Å; L564-D640 HydrophobicContact CD2-CB 4.05Å; L564-P642 HydrophobicContact CD1-CG 4.19Å
565V86.6Confident73.1Confident33 Ų33109.6 Ų109.620%0.252%0.518CS..  trans-85.7129.2-177.7-176.50000109.2T583 D640V565-T583 PolarHBondContact O-OG1 3.42Å; V565-D640 PolarHBondContact N-OD2 3.25Å; V565-D640 WeakPolarHBondContact O-CB 3.4Å; V565-D640 PolarHBondContact O-N 2.77Å
566G83.6Confident72.5Confident33 Ų33113.7 Ų113.734%0.3453%0.53SS..  trans-155.2167.8-179.700000113.6T583 R638 N639G566-T583 WeakPolarHBondContact CA-OG1 3.35Å; G566-R638 WeakPolarHBondContact CA-O 3.4Å; G566-N639 WeakPolarHBondContact CA-OD1 3.49Å
567E81Confident73Confident77 Ų77111.3 Ų111.336%0.3651%0.511SS..  trans-73.6144.6174.6-67.7-178.6141.500111T582 R638 N639E567-T582 HydrophobicContact CB-CG2 4.38Å; E567-T582 VanDerWaalsContact O-CB 3.31Å; E567-T582 WeakPolarHBondContact O-CB 3.44Å; E567-T582 WeakPolarHBondContact O-CG2 3.43Å; E567-R638 HydrophobicContact CG-CB 4.12Å; E567-R638 WeakPolarHBondContact OE1-CD 3.12Å; E567-R638 IonicContact OE1-CZ 3.03Å; E567-R638 IonicContact OE1-NE 2.67Å; E567-R638 IonicContact OE1-NH1 2.62Å; E567-R638 PolarHBondContact OE1-NH1 3.01Å; E567-N639 PolarHBondContact N-OD1 3.23Å
568D72.4Confident73.8Confident119 Ų119104.7 Ų104.764%0.63648%0.48SS*.  trans-68.7141.2175.6-86.6-14.5000112.3R570D568-R570 HydrophobicContact CB-CB 4.48Å; D568-R570 HydrophobicContact CB-CG 4.17Å; D568-R570 PolarHBondContact O-N 3.29Å; D568-R570 IonicContact OD2-NE 3.04Å
569D66.8Low74.5Confident60 Ų60105.6 Ų105.632%0.32148%0.484SS..G310 helixtrans-684.5177-79.7-30.7000114.9Q571 Q572 T582 S584 S585D569-Q571 PolarHBondContact O-N 3.39Å; D569-Q572 PolarHBondContact O-N 3.15Å; D569-T582 VanDerWaalsContact CG-OG1 3.31Å; D569-T582 WeakPolarHBondContact OD1-CB 3.38Å; D569-T582 VanDerWaalsContact OD1-CG2 3.31Å; D569-T582 WeakPolarHBondContact OD1-CG2 3.36Å; D569-T582 PolarHBondContact OD1-OG1 2.96Å; D569-S584 PolarHBondContact OD2-OG 3.5Å; D569-S585 PolarHBondContact OD1-OG 3.2Å
570R57.7Low75.1Confident225 Ų22599.8 Ų99.885%0.84946%0.458SS*.G310 helixtrans-60.5-11.4-169.5-73-177.5177.6-157.1-0.8115D568D568-R570 HydrophobicContact CB-CB 4.48Å; D568-R570 HydrophobicContact CB-CG 4.17Å; D568-R570 PolarHBondContact O-N 3.29Å; D568-R570 IonicContact OD2-NE 3.04Å
571Q52.8Low75.4Confident159 Ų15998.4 Ų98.474%0.74345%0.45SS*.G310 helixtrans-104.35.8-179.6-67-166.3-6.500116.1D569D569-Q571 PolarHBondContact O-N 3.39Å
572Q54.3Low75.8Confident64 Ų6490.2 Ų90.230%0.29941%0.413SS..  trans-104.823.9-166.3-68.9-175.6-1.200116.8D569 Q574 E580D569-Q572 PolarHBondContact O-N 3.15Å; Q572-Q574 PolarHBondContact O-N 3.12Å; Q572-E580 VanDerWaalsContact NE2-CB 3.34Å; Q572-E580 PolarHBondContact NE2-O 3.14Å; Q572-E580 PolarHBondContact OE1-O 2.02Å
573K52.2Low75.9Confident218 Ų21886.5 Ų86.595%0.94840%0.401SS*.  trans-784.9176.3-87-177.2177.1178.90115.7
574Q55.5Low75.9Confident156 Ų15687.4 Ų87.473%0.72941%0.414SS*.SBendtrans-106.2134.6172.9-74.7-177.8-10.100111.1Q572 R576Q572-Q574 PolarHBondContact O-N 3.12Å; Q574-R576 VanDerWaalsContact C-N 3.32Å; Q574-R576 PolarHBondContact O-N 3.47Å
575R59.1Low76.1Confident258 Ų25885.5 Ų85.597%0.97441%0.405SS*.  trans-60.592169.8-96179.9166.1169.8-4.1109.4
576R70.9Confident76.3Confident114 Ų11484 Ų8443%0.4340%0.396SS..  trans-81145.7173.4-66.6-175.9-177.5-174.93.5109.3Q574 I578Q574-R576 VanDerWaalsContact C-N 3.32Å; Q574-R576 PolarHBondContact O-N 3.47Å; R576-I578 VanDerWaalsContact CB-O 3.27Å; R576-I578 WeakPolarHBondContact CB-O 3.42Å; R576-I578 PolarHBondContact O-N 2.86Å
577L84.7Confident76.6Confident57 Ų5785.7 Ų85.730%0.29840%0.4SS..SBendtrans-57.9-33.9175.5-178.871.9000112.1I617 A620 R621 Q624L577-I617 HydrophobicContact CD2-CG2 3.98Å; L577-A620 HydrophobicContact CD1-CB 4.22Å; L577-A620 HydrophobicContact CD2-CB 4.06Å; L577-A620 HydrophobicContact CG-CB 3.7Å; L577-R621 HydrophobicContact CD1-CG 4.14Å; L577-R621 HydrophobicContact CD2-CG 3.59Å; L577-R621 HydrophobicContact CG-CG 4.5Å; L577-Q624 HydrophobicContact CD1-CB 4.27Å; L577-Q624 VanDerWaalsContact CD1-CD 3.41Å; L577-Q624 HydrophobicContact CD1-CG 4Å; L577-Q624 VanDerWaalsContact CD1-OE1 3.3Å
578I89.6Confident77.1Confident17 Ų1786.1 Ų86.19%0.08741%0.411CS..SBendtrans-119.1130.8174.6-59.9171.8000107R576 L616 I617 A620 V631 R633R576-I578 VanDerWaalsContact CB-O 3.27Å; R576-I578 WeakPolarHBondContact CB-O 3.42Å; R576-I578 PolarHBondContact O-N 2.86Å; I578-L616 HydrophobicContact CD1-CB 4.25Å; I578-I617 HydrophobicContact CD1-CG1 3.89Å; I578-A620 HydrophobicContact CD1-CB 4.4Å; I578-A620 HydrophobicContact CG1-CB 3.71Å; I578-V631 HydrophobicContact CG1-CG1 4.48Å; I578-V631 HydrophobicContact CG2-CG1 4.48Å; I578-R633 HydrophobicContact CG2-CB 4.27Å; I578-R633 HydrophobicContact CG2-CG 3.83Å
579T89.9Confident77.9Confident54 Ų5482.4 Ų82.433%0.33139%0.394SS..EExtended strand (participates in β ladder)trans-78.6122.8177.8-51.70000109.1L581 V631 A632 R633T579-L581 HydrophobicContact CG2-CD2 3.92Å; T579-V631 PolarHBondContact N-O 2.88Å; T579-A632 CarbonylContact O-C 3.54Å; T579-A632 WeakPolarHBondContact O-CA 3.35Å; T579-R633 PolarHBondContact O-N 2.88Å
580E90.4Very high79.1Confident26 Ų2679.5 Ų79.512%0.12138%0.379CS..EExtended strand (participates in β ladder)trans-85.4127171.9-69.8-80.6-171.200108.2Q572 Y602 R633Q572-E580 VanDerWaalsContact NE2-CB 3.34Å; Q572-E580 PolarHBondContact NE2-O 3.14Å; Q572-E580 PolarHBondContact OE1-O 2.02Å; E580-Y602 PolarHBondContact OE2-OH 2.94Å; E580-R633 IonicContact OE1-CZ 2.86Å; E580-R633 IonicContact OE1-NE 2.7Å; E580-R633 PolarHBondContact OE1-NE 2.9Å; E580-R633 IonicContact OE1-NH2 3.06Å; E580-R633 PolarHBondContact OE1-NH2 2.92Å; E580-R633 VanDerWaalsContact OE2-CG 3.3Å; E580-R633 WeakPolarHBondContact OE2-CG 3.14Å; E580-R633 IonicContact OE2-NE 3.37Å; E580-R633 PolarHBondContact OE2-NE 3.48Å
581L91.6Very high80.7Confident4 Ų472.4 Ų72.42%0.02136%0.356CS..EExtended strand (participates in β ladder)trans-101.3135.9174.5-55.7-175.7000109.6T579 F586 S589 I590 L599 A632 R633 V634T579-L581 HydrophobicContact CG2-CD2 3.92Å; L581-F586 HydrophobicContact CB-CD2 4.11Å; L581-F586 HydrophobicContact CD1-CD2 3.93Å; L581-F586 HydrophobicContact CD1-CE2 4.31Å; L581-S589 VanDerWaalsContact CD2-CB 3.46Å; L581-I590 HydrophobicContact CD1-CG2 3.8Å; L581-L599 HydrophobicContact CD1-CD1 3.69Å; L581-L599 HydrophobicContact CG-CD1 4.48Å; L581-A632 HydrophobicContact CD1-CB 4.02Å; L581-A632 HydrophobicContact CD2-CB 4.48Å; L581-A632 HydrophobicContact CG-CB 4.06Å; L581-R633 PolarHBondContact N-O 2.72Å; L581-V634 HydrophobicContact CB-CB 4.29Å
582T91Very high82.4Confident7 Ų767.1 Ų67.14%0.04333%0.333CS..  trans-108.9171.1170.460.30000109E567 D569 S584 S585 F586 N639E567-T582 HydrophobicContact CB-CG2 4.38Å; E567-T582 VanDerWaalsContact O-CB 3.31Å; E567-T582 WeakPolarHBondContact O-CB 3.44Å; E567-T582 WeakPolarHBondContact O-CG2 3.43Å; D569-T582 VanDerWaalsContact CG-OG1 3.31Å; D569-T582 WeakPolarHBondContact OD1-CB 3.38Å; D569-T582 VanDerWaalsContact OD1-CG2 3.31Å; D569-T582 WeakPolarHBondContact OD1-CG2 3.36Å; D569-T582 PolarHBondContact OD1-OG1 2.96Å; T582-S584 VanDerWaalsContact C-N 3.26Å; T582-S584 PolarHBondContact O-N 3.33Å; T582-S584 PolarHBondContact OG1-OG 3.34Å; T582-S584 VanDerWaalsContact OG1-OG 3.13Å; T582-S585 PolarHBondContact N-OG 2.83Å; T582-S585 PolarHBondContact O-N 3.01Å; T582-S585 PolarHBondContact O-OG 2.95Å; T582-S585 PolarHBondContact OG1-N 3.21Å; T582-S585 PolarHBondContact OG1-OG 3.3Å; T582-F586 WeakPolarHBondContact O-CA 3.31Å; T582-F586 VanDerWaalsContact O-CB 3.23Å; T582-F586 WeakPolarHBondContact O-CB 3.36Å; T582-F586 PolarHBondContact O-N 2.81Å; T582-N639 WeakPolarHBondContact CA-OD1 3.48Å
583T89.4Confident84.1Confident24 Ų2469.1 Ų69.115%0.14734%0.343CS..Hα-helixtrans-54.6-37.9176.7-63.30000113.5L564 V565 G566 N639 D640L564-T583 HydrophobicContact CB-CG2 3.31Å; L564-T583 HydrophobicContact CD1-CG2 4.13Å; L564-T583 HydrophobicContact CG-CG2 4.37Å; V565-T583 PolarHBondContact O-OG1 3.42Å; G566-T583 WeakPolarHBondContact CA-OG1 3.35Å; T583-N639 PolarHBondContact N-OD1 3.04Å; T583-N639 WeakPolarHBondContact OG1-CA 3.08Å; T583-N639 WeakPolarHBondContact OG1-CB 3.48Å; T583-D640 VanDerWaalsContact CG2-O 3.28Å; T583-D640 WeakPolarHBondContact CG2-O 3.3Å; T583-D640 PolarHBondContact OG1-N 3.12Å; T583-D640 PolarHBondContact OG1-O 3.01Å
584S88.3Confident85.8Confident78 Ų7865 Ų6555%0.54533%0.327SS..Hα-helixtrans-73.6-40.6179.748.80000113.3D569 T582D569-S584 PolarHBondContact OD2-OG 3.5Å; T582-S584 VanDerWaalsContact C-N 3.26Å; T582-S584 PolarHBondContact O-N 3.33Å; T582-S584 PolarHBondContact OG1-OG 3.34Å; T582-S584 VanDerWaalsContact OG1-OG 3.13Å
585S90.1Very high87.5Confident13 Ų1361.3 Ų61.39%0.09131%0.308CS..Hα-helixtrans-87-11.2-178.2570000113.8D569 T582 S588 S589D569-S585 PolarHBondContact OD1-OG 3.2Å; T582-S585 PolarHBondContact N-OG 2.83Å; T582-S585 PolarHBondContact O-N 3.01Å; T582-S585 PolarHBondContact O-OG 2.95Å; T582-S585 PolarHBondContact OG1-N 3.21Å; T582-S585 PolarHBondContact OG1-OG 3.3Å; S585-S588 PolarHBondContact O-OG 2.99Å; S585-S588 VanDerWaalsContact O-OG 3.09Å; S585-S589 WeakPolarHBondContact O-CB 3.31Å; S585-S589 PolarHBondContact O-N 3.13Å; S585-S589 PolarHBondContact O-OG 2.66Å
586F91.9Very high89Confident0 Ų049 Ų490%026%0.262CS..Hα-helixtrans-57.7-62-171.2-172.8-101.5000112.5L581 T582 S588 S589 I590 L599 V634 L641 F645L581-F586 HydrophobicContact CB-CD2 4.11Å; L581-F586 HydrophobicContact CD1-CD2 3.93Å; L581-F586 HydrophobicContact CD1-CE2 4.31Å; T582-F586 WeakPolarHBondContact O-CA 3.31Å; T582-F586 VanDerWaalsContact O-CB 3.23Å; T582-F586 WeakPolarHBondContact O-CB 3.36Å; T582-F586 PolarHBondContact O-N 2.81Å; F586-S588 PolarHBondContact O-N 3.05Å; F586-S589 PolarHBondContact O-N 3.02Å; F586-I590 HydrophobicContact CD1-CD1 3.78Å; F586-I590 HydrophobicContact CE1-CD1 3.38Å; F586-I590 HydrophobicContact CE2-CG2 4.38Å; F586-I590 HydrophobicContact CZ-CD1 3.96Å; F586-I590 HydrophobicContact CZ-CG2 4.4Å; F586-I590 WeakPolarHBondContact O-CG1 3.39Å; F586-I590 WeakPolarHBondContact O-CG2 3.44Å; F586-I590 PolarHBondContact O-N 3.15Å; F586-L599 HydrophobicContact CE2-CD2 3.48Å; F586-L599 VanDerWaalsContact CE2-CD2 3.48Å; F586-L599 HydrophobicContact CZ-CD2 3.71Å; F586-V634 HydrophobicContact CD2-CG2 4.34Å; F586-V634 HydrophobicContact CE2-CB 4.46Å; F586-V634 HydrophobicContact CE2-CG1 4.25Å; F586-V634 HydrophobicContact CE2-CG2 4.44Å; F586-L641 HydrophobicContact CB-CD2 4.14Å; F586-L641 HydrophobicContact CD1-CD2 3.89Å; F586-L641 HydrophobicContact CD2-CD1 4.41Å; F586-L641 HydrophobicContact CD2-CD2 3.45Å; F586-L641 VanDerWaalsContact CD2-CD2 3.45Å; F586-L641 HydrophobicContact CE1-CD1 4.45Å; F586-L641 HydrophobicContact CE1-CD2 4.08Å; F586-L641 HydrophobicContact CE2-CD1 3.77Å; F586-L641 HydrophobicContact CE2-CD2 3.68Å; F586-L641 HydrophobicContact CE2-CG 4.35Å; F586-L641 HydrophobicContact CG-CD2 3.56Å; F586-L641 HydrophobicContact CZ-CD1 3.81Å; F586-L641 HydrophobicContact CZ-CD2 4Å; F586-L641 HydrophobicContact CZ-CG 4.41Å; F586-F645 HydrophobicContact CD1-CD2 4.48Å; F586-F645 HydrophobicContact CE1-CB 3.67Å; F586-F645 HydrophobicContact CE1-CD1 4.4Å; F586-F645 AromaticContact CE1-CD2 3.7Å; F586-F645 HydrophobicContact CE1-CD2 3.7Å; F586-F645 HydrophobicContact CE1-CE2 4.44Å; F586-F645 AromaticContact CE1-CG 3.67Å; F586-F645 HydrophobicContact CE1-CG 3.67Å; F586-F645 HydrophobicContact CZ-CB 3.86Å; F586-F645 HydrophobicContact CZ-CG 4.22Å
587V89.9Confident90.1Very high70 Ų7043.8 Ų43.842%0.42424%0.242SC..Hα-helixtrans-64.5-44.6-173.3178.40000111.2S589 I590 M591 P642V587-S589 VanDerWaalsContact C-N 3.29Å; V587-S589 PolarHBondContact O-N 3.44Å; V587-I590 PolarHBondContact O-N 2.94Å; V587-M591 HydrophobicContact CG1-CG 3.99Å; V587-M591 WeakPolarHBondContact O-CB 3.28Å; V587-M591 VanDerWaalsContact O-CG 3.26Å; V587-M591 WeakPolarHBondContact O-CG 3.47Å; V587-M591 PolarHBondContact O-N 2.68Å; V587-P642 HydrophobicContact CG2-CG 4.11Å
588S90.6Very high90.6Very high85 Ų8541.1 Ų41.159%0.59423%0.229SC*.Hα-helixtrans-63.2-35.618051.60000112.2S585 F586S585-S588 PolarHBondContact O-OG 2.99Å; S585-S588 VanDerWaalsContact O-OG 3.09Å; F586-S588 PolarHBondContact O-N 3.05Å
589S89.6Confident90.8Very high41 Ų4140.3 Ų40.329%0.28722%0.224SC..Hα-helixtrans-77.7-42.8178.8-58.20000113.2L581 S585 F586 V587L581-S589 VanDerWaalsContact CD2-CB 3.46Å; S585-S589 WeakPolarHBondContact O-CB 3.31Å; S585-S589 PolarHBondContact O-N 3.13Å; S585-S589 PolarHBondContact O-OG 2.66Å; F586-S589 PolarHBondContact O-N 3.02Å; V587-S589 VanDerWaalsContact C-N 3.29Å; V587-S589 PolarHBondContact O-N 3.44Å
590I91.7Very high91.1Very high0 Ų038 Ų380%021%0.209CC..Hα-helixtrans-74.6-33.8-177.968.9178000112.3L581 F586 V587 D592 V597 L599 F645 F656 K661L581-I590 HydrophobicContact CD1-CG2 3.8Å; F586-I590 HydrophobicContact CD1-CD1 3.78Å; F586-I590 HydrophobicContact CE1-CD1 3.38Å; F586-I590 HydrophobicContact CE2-CG2 4.38Å; F586-I590 HydrophobicContact CZ-CD1 3.96Å; F586-I590 HydrophobicContact CZ-CG2 4.4Å; F586-I590 WeakPolarHBondContact O-CG1 3.39Å; F586-I590 WeakPolarHBondContact O-CG2 3.44Å; F586-I590 PolarHBondContact O-N 3.15Å; V587-I590 PolarHBondContact O-N 2.94Å; I590-D592 VanDerWaalsContact C-N 3.27Å; I590-D592 PolarHBondContact O-N 2.93Å; I590-V597 HydrophobicContact CG2-CG1 4.44Å; I590-L599 HydrophobicContact CG2-CD2 4.41Å; I590-F645 HydrophobicContact CD1-CD1 4.07Å; I590-F645 HydrophobicContact CD1-CD2 4.32Å; I590-F645 HydrophobicContact CD1-CE1 3.77Å; I590-F645 HydrophobicContact CD1-CE2 4.03Å; I590-F645 HydrophobicContact CD1-CG 4.33Å; I590-F645 HydrophobicContact CD1-CZ 3.75Å; I590-F656 HydrophobicContact CD1-CE1 4.5Å; I590-F656 HydrophobicContact CD1-CZ 4.45Å; I590-K661 VanDerWaalsContact O-CD 3.31Å; I590-K661 WeakPolarHBondContact O-CD 3.32Å; I590-K661 WeakPolarHBondContact O-CE 3.33Å; I590-K661 PolarHBondContact O-NZ 3.04Å
591M90.3Very high91.3Very high75 Ų7536.7 Ų36.737%0.36920%0.204SC..THydrogen-bonded Turntrans-85.16-175.8-61.5-58.2-81.700113.4V587 H593 K661V587-M591 HydrophobicContact CG1-CG 3.99Å; V587-M591 WeakPolarHBondContact O-CB 3.28Å; V587-M591 VanDerWaalsContact O-CG 3.26Å; V587-M591 WeakPolarHBondContact O-CG 3.47Å; V587-M591 PolarHBondContact O-N 2.68Å; M591-H593 PolarHBondContact O-N 3.47Å; M591-K661 HydrophobicContact CE-CB 4.14Å; M591-K661 HydrophobicContact SD-CB 4.02Å; M591-K661 HydrophobicContact SD-CG 4.4Å
592D90.2Very high91.4Very high48 Ų4838.1 Ų38.126%0.25721%0.209SC..  trans-59.4106.7172.3-175.9-11.7000110.4I590 Q594 K595 K661I590-D592 VanDerWaalsContact C-N 3.27Å; I590-D592 PolarHBondContact O-N 2.93Å; D592-Q594 PolarHBondContact O-N 3.32Å; D592-Q594 VanDerWaalsContact O-N 3.13Å; D592-Q594 WeakPolarHBondContact OD1-CB 3.19Å; D592-Q594 PolarHBondContact OD1-N 3.15Å; D592-K595 PolarHBondContact O-N 2.86Å; D592-K595 VanDerWaalsContact OD2-CD 3.25Å; D592-K595 WeakPolarHBondContact OD2-CD 3.44Å; D592-K595 WeakPolarHBondContact OD2-CE 3.31Å; D592-K595 IonicContact OD2-NZ 3.83Å; D592-K595 PolarHBondContact OD2-NZ 3.12Å; D592-K661 WeakPolarHBondContact O-CE 3.46Å; D592-K661 PolarHBondContact O-NZ 3.25Å
593H88.6Confident91.5Very high107 Ų10738.2 Ų38.250%0.49521%0.21SC..THydrogen-bonded Turntrans-63.7-18.1-175.6-72.3-73.7000113.8M591 H659M591-H593 PolarHBondContact O-N 3.47Å; H593-H659 PolarHBondContact O-CE1 3.07Å; H593-H659 PolarHBondContact O-N 2.84Å; H593-H659 VanDerWaalsContact O-N 3.1Å; H593-H659 PolarHBondContact O-ND1 2.91Å
594Q88.4Confident91.5Very high132 Ų13241.9 Ų41.962%0.61723%0.225SC*.THydrogen-bonded Turntrans-90.5-5.8-176.3-59.2-61.2-25.400113.4D592D592-Q594 PolarHBondContact O-N 3.32Å; D592-Q594 VanDerWaalsContact O-N 3.13Å; D592-Q594 WeakPolarHBondContact OD1-CB 3.19Å; D592-Q594 PolarHBondContact OD1-N 3.15Å
595K90.2Very high91.4Very high78 Ų7847.3 Ų47.334%0.33923%0.234SC..SBendtrans-128.5140.8-173.4-61.1-176.9-169.61540113D592 V597 T628 T630 K661D592-K595 PolarHBondContact O-N 2.86Å; D592-K595 VanDerWaalsContact OD2-CD 3.25Å; D592-K595 WeakPolarHBondContact OD2-CD 3.44Å; D592-K595 WeakPolarHBondContact OD2-CE 3.31Å; D592-K595 IonicContact OD2-NZ 3.83Å; D592-K595 PolarHBondContact OD2-NZ 3.12Å; K595-V597 HydrophobicContact CB-CG2 4.33Å; K595-T628 CarbonylContact C-O 3.55Å; K595-T628 WeakPolarHBondContact CA-O 3.49Å; K595-T630 WeakPolarHBondContact CD-OG1 3.23Å; K595-K661 PolarHBondContact O-NZ 3.3Å
596D92.1Very high91.6Very high0 Ų047.3 Ų47.30%023%0.233CC..EExtended strand (participates in β ladder)trans-79.1118.3162.2-65.3-65.4000108.4T628 I629 T630 F656 P657 R658D596-T628 PolarHBondContact N-O 3.41Å; D596-I629 HydrophobicContact CB-CG1 4.15Å; D596-I629 CarbonylContact O-C 3.59Å; D596-I629 WeakPolarHBondContact O-CA 3.34Å; D596-T630 PolarHBondContact O-N 3.04Å; D596-F656 WeakPolarHBondContact CA-O 3.24Å; D596-P657 VanDerWaalsContact OD1-CA 3.29Å; D596-P657 WeakPolarHBondContact OD1-CA 3.48Å; D596-R658 PolarHBondContact OD1-N 3.14Å
597V93.8Very high91.6Very high3 Ų349.7 Ų49.72%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-109.8113.7-176.8-177.20000109.4I590 K595 T630 A632 L655 F656I590-V597 HydrophobicContact CG2-CG1 4.44Å; K595-V597 HydrophobicContact CB-CG2 4.33Å; V597-T630 WeakPolarHBondContact CA-O 3.19Å; V597-A632 HydrophobicContact CG1-CB 4.21Å; V597-L655 WeakPolarHBondContact O-CA 3.44Å; V597-F656 HydrophobicContact CB-CB 4.27Å; V597-F656 PolarHBondContact N-O 2.97Å; V597-F656 PolarHBondContact O-N 3.35Å
598L94.4Very high91.7Very high2 Ų254.1 Ų54.11%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-92.4112.4170.9-173.678.1000108.7L619 T630 A632 I653 L655 F681 I682L598-L619 HydrophobicContact CD2-CD2 3.52Å; L598-T630 PolarHBondContact N-O 3.11Å; L598-A632 PolarHBondContact O-N 3.35Å; L598-I653 HydrophobicContact CD1-CG2 3.58Å; L598-I653 HydrophobicContact CG-CG2 4.14Å; L598-L655 HydrophobicContact CB-CD1 4.12Å; L598-L655 HydrophobicContact CD1-CB 4.17Å; L598-L655 HydrophobicContact CD1-CD1 4.02Å; L598-F681 HydrophobicContact CD1-CD1 4.42Å; L598-F681 HydrophobicContact CD1-CE1 4.19Å; L598-I682 HydrophobicContact CD1-CG1 4.21Å; L598-I682 HydrophobicContact CD2-CD1 3.9Å; L598-I682 HydrophobicContact CD2-CG1 4.39Å
599L95.1Very high91.8Very high0 Ų050.2 Ų50.20%025%0.245CC..EExtended strand (participates in β ladder)trans-106.1125.6-175.9-178.361.3000111.5L581 F586 I590 Y601 A632 V634 I653 L654 F656L581-L599 HydrophobicContact CD1-CD1 3.69Å; L581-L599 HydrophobicContact CG-CD1 4.48Å; F586-L599 HydrophobicContact CE2-CD2 3.48Å; F586-L599 VanDerWaalsContact CE2-CD2 3.48Å; F586-L599 HydrophobicContact CZ-CD2 3.71Å; I590-L599 HydrophobicContact CG2-CD2 4.41Å; L599-Y601 HydrophobicContact CB-CE2 4.25Å; L599-Y601 HydrophobicContact CD2-CD2 4.26Å; L599-Y601 HydrophobicContact CD2-CE1 4.21Å; L599-Y601 HydrophobicContact CD2-CE2 3.39Å; L599-Y601 WeakPolarHBondContact CD2-OH 3.5Å; L599-Y601 HydrophobicContact CG-CD2 4.07Å; L599-Y601 HydrophobicContact CG-CE2 3.61Å; L599-A632 WeakPolarHBondContact CA-O 3.41Å; L599-A632 HydrophobicContact CD1-CB 4.12Å; L599-V634 HydrophobicContact CD1-CB 4.18Å; L599-V634 HydrophobicContact CD1-CG1 3.87Å; L599-V634 HydrophobicContact CD2-CG1 4.28Å; L599-V634 HydrophobicContact CG-CG1 4.23Å; L599-I653 WeakPolarHBondContact O-CA 3.41Å; L599-L654 PolarHBondContact N-O 3.43Å; L599-L654 PolarHBondContact O-N 3.08Å; L599-F656 HydrophobicContact CB-CD2 4.45Å; L599-F656 HydrophobicContact CB-CE2 4.09Å; L599-F656 HydrophobicContact CD2-CE2 4.02Å
600F95.2Very high91.8Very high4 Ų451.9 Ų51.92%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-104.8120.2173.1-178.3-108.7000111.9Y602 C609 L612 L616 A632 R633 V634 P651 I653F600-Y602 HydrophobicContact CD1-CD1 4.27Å; F600-Y602 HydrophobicContact CD1-CG 4.36Å; F600-Y602 VanDerWaalsContact CE1-CB 3.48Å; F600-Y602 HydrophobicContact CE1-CG 4.25Å; F600-C609 HydrophobicContact CE1-CB 4.42Å; F600-C609 HydrophobicContact CZ-CB 4.25Å; F600-L612 HydrophobicContact CE2-CB 4.33Å; F600-L612 HydrophobicContact CE2-CD1 4.01Å; F600-L612 HydrophobicContact CZ-CB 4.1Å; F600-L612 HydrophobicContact CZ-CD1 4.27Å; F600-L616 HydrophobicContact CB-CD1 3.91Å; F600-L616 HydrophobicContact CB-CD2 4.27Å; F600-L616 HydrophobicContact CD1-CD1 3.3Å; F600-L616 HydrophobicContact CD2-CD1 3.65Å; F600-L616 HydrophobicContact CD2-CD2 4.34Å; F600-L616 HydrophobicContact CE1-CD1 3.52Å; F600-L616 HydrophobicContact CE2-CD1 3.88Å; F600-L616 HydrophobicContact CG-CD1 3.35Å; F600-L616 HydrophobicContact CG-CD2 4.35Å; F600-L616 HydrophobicContact CG-CG 4.46Å; F600-L616 HydrophobicContact CZ-CD1 3.81Å; F600-A632 PolarHBondContact N-O 2.93Å; F600-R633 HydrophobicContact CB-CB 4.03Å; F600-R633 HydrophobicContact CD1-CB 4.21Å; F600-R633 CarbonylContact O-C 3.55Å; F600-R633 WeakPolarHBondContact O-CA 3.49Å; F600-R633 WeakPolarHBondContact O-CB 3.32Å; F600-V634 PolarHBondContact O-N 3.36Å; F600-P651 HydrophobicContact CE2-CB 3.49Å; F600-P651 VanDerWaalsContact CE2-CB 3.49Å; F600-P651 HydrophobicContact CZ-CB 3.63Å; F600-I653 HydrophobicContact CD2-CD1 4.13Å; F600-I653 HydrophobicContact CD2-CG1 3.64Å; F600-I653 HydrophobicContact CE2-CG1 4.3Å
601Y95.3Very high91.7Very high0 Ų056.2 Ų56.20%028%0.283CS..EExtended strand (participates in β ladder)trans-91.6124.2177.4-66.1-105.9000109.7L599 V634 V636 L641 F645 V647 P651 S652 L654L599-Y601 HydrophobicContact CB-CE2 4.25Å; L599-Y601 HydrophobicContact CD2-CD2 4.26Å; L599-Y601 HydrophobicContact CD2-CE1 4.21Å; L599-Y601 HydrophobicContact CD2-CE2 3.39Å; L599-Y601 WeakPolarHBondContact CD2-OH 3.5Å; L599-Y601 HydrophobicContact CG-CD2 4.07Å; L599-Y601 HydrophobicContact CG-CE2 3.61Å; Y601-V634 HydrophobicContact CD1-CG1 3.7Å; Y601-V634 HydrophobicContact CE1-CG1 4.03Å; Y601-V634 HydrophobicContact CG-CG1 4.05Å; Y601-V636 HydrophobicContact CD1-CG1 3.58Å; Y601-V636 HydrophobicContact CE1-CG1 4.35Å; Y601-L641 HydrophobicContact CD1-CD1 4.23Å; Y601-L641 HydrophobicContact CE1-CD1 3.62Å; Y601-F645 VanDerWaalsContact CE1-O 3.23Å; Y601-F645 WeakPolarHBondContact CE1-O 3.32Å; Y601-F645 PolarHBondContact OH-O 2.89Å; Y601-V647 HydrophobicContact CD1-CB 4.46Å; Y601-V647 HydrophobicContact CD1-CG1 3.97Å; Y601-V647 HydrophobicContact CD1-CG2 3.6Å; Y601-V647 HydrophobicContact CD2-CG1 4.23Å; Y601-V647 HydrophobicContact CE1-CG1 3.89Å; Y601-V647 HydrophobicContact CE1-CG2 4.23Å; Y601-V647 HydrophobicContact CE2-CG1 4.19Å; Y601-V647 HydrophobicContact CG-CG1 4.12Å; Y601-V647 HydrophobicContact CG-CG2 3.84Å; Y601-P651 WeakPolarHBondContact O-CA 3.44Å; Y601-S652 WeakPolarHBondContact CD2-O 3.33Å; Y601-S652 PolarHBondContact N-O 3.16Å; Y601-S652 PolarHBondContact O-N 2.9Å; Y601-L654 HydrophobicContact CD2-CD1 4Å; Y601-L654 HydrophobicContact CE2-CB 4.16Å; Y601-L654 HydrophobicContact CE2-CD1 3.5Å; Y601-L654 HydrophobicContact CE2-CG 4.24Å
602Y94.2Very high91.8Very high33 Ų3353.7 Ų53.713%0.12927%0.271CS..EExtended strand (participates in β ladder)trans-142.4168.1-176.780-77.5000113.8E580 F600 R633 V634 N635 V636E580-Y602 PolarHBondContact OE2-OH 2.94Å; F600-Y602 HydrophobicContact CD1-CD1 4.27Å; F600-Y602 HydrophobicContact CD1-CG 4.36Å; F600-Y602 VanDerWaalsContact CE1-CB 3.48Å; F600-Y602 HydrophobicContact CE1-CG 4.25Å; Y602-R633 HydrophobicContact CD1-CB 4.04Å; Y602-R633 HydrophobicContact CD1-CG 4.24Å; Y602-R633 HydrophobicContact CE1-CB 3.97Å; Y602-R633 HydrophobicContact CE1-CG 3.68Å; Y602-V634 VanDerWaalsContact CD1-C 3.48Å; Y602-V634 WeakPolarHBondContact CD1-O 3.47Å; Y602-V634 VanDerWaalsContact CE1-C 3.46Å; Y602-V634 PolarHBondContact N-O 2.91Å; Y602-N635 HydrophobicContact CE1-CB 3.92Å; Y602-N635 HydrophobicContact CE2-CB 4.21Å; Y602-N635 WeakPolarHBondContact O-CA 3.26Å; Y602-N635 PolarHBondContact O-OD1 3.48Å; Y602-V636 PolarHBondContact O-N 2.68Å; Y602-V636 VanDerWaalsContact O-N 3.09Å
603T92.6Very high91.8Very high10 Ų1053.8 Ų53.86%0.06127%0.271CS..  trans-135.9158.2166.564.90000110W605 C606 V636 A637 V650T603-W605 VanDerWaalsContact C-N 3.34Å; T603-W605 PolarHBondContact O-N 2.88Å; T603-W605 PolarHBondContact OG1-NE1 3.33Å; T603-C606 PolarHBondContact O-N 3.38Å; T603-C606 VanDerWaalsContact OG1-CB 3.23Å; T603-C606 WeakPolarHBondContact OG1-CB 3.16Å; T603-V636 HydrophobicContact CG2-CG2 3.79Å; T603-A637 HydrophobicContact CG2-CB 3.75Å; T603-V650 HydrophobicContact CG2-CG1 4.3Å; T603-V650 HydrophobicContact CG2-CG2 4.06Å
604Q88.1Confident91.9Very high100 Ų10053.5 Ų53.547%0.46727%0.27SS..THydrogen-bonded Turntrans-69.5-29.4-175.5-69.1176.2-16.600113.6R638Q604-R638 VanDerWaalsContact NE2-CZ 3.26Å
605W88Confident92.1Very high192 Ų19247.7 Ų47.773%0.72724%0.244SC*.THydrogen-bonded Turntrans-91.4-0.7179.947.980.9000113.8T603 G607 A637T603-W605 VanDerWaalsContact C-N 3.34Å; T603-W605 PolarHBondContact O-N 2.88Å; T603-W605 PolarHBondContact OG1-NE1 3.33Å; W605-G607 PolarHBondContact O-N 3.17Å; W605-A637 HydrophobicContact CH2-CB 3.3Å; W605-A637 HydrophobicContact CZ2-CB 3.45Å; W605-A637 VanDerWaalsContact CZ2-CB 3.45Å; W605-A637 HydrophobicContact CZ3-CB 4.08Å
606C92.9Very high92.2Very high13 Ų1344.2 Ų44.29%0.08823%0.228CC..  trans-80.4109.4179.1168.90000110.9T603 F608 C609 S610 V650T603-C606 PolarHBondContact O-N 3.38Å; T603-C606 VanDerWaalsContact OG1-CB 3.23Å; T603-C606 WeakPolarHBondContact OG1-CB 3.16Å; C606-F608 PolarHBondContact O-N 3.27Å; C606-C609 HydrophobicContact CB-CB 3.61Å; C606-C609 WeakPolarHBondContact CB-SG 3.35Å; C606-C609 WeakPolarHBondContact O-CB 3.34Å; C606-C609 PolarHBondContact O-N 3.02Å; C606-C609 WeakPolarHBondContact SG-CB 3.32Å; C606-C609 PolarHBondContact SG-N 3.11Å; C606-C609 CovalentContact SG-SG 2.05Å; C606-C609 PolarHBondContact SG-SG 3.46Å; C606-S610 PolarHBondContact O-N 3.4Å; C606-S610 VanDerWaalsContact O-N 3.1Å; C606-S610 PolarHBondContact O-OG 3.02Å; C606-V650 HydrophobicContact CB-CG2 4.31Å
607G92.3Very high92.2Very high51 Ų5146.8 Ų46.853%0.52624%0.242SC..Hα-helixtrans-60.7-43.4177.700000113.2W605 C609 S610 V611W605-G607 PolarHBondContact O-N 3.17Å; G607-C609 VanDerWaalsContact C-N 3.31Å; G607-C609 PolarHBondContact O-N 2.72Å; G607-S610 WeakPolarHBondContact O-CB 3.45Å; G607-S610 PolarHBondContact O-N 3.48Å; G607-V611 PolarHBondContact O-N 2.8Å
608F91.2Very high92.1Very high162 Ų16251 Ų5171%0.71126%0.261SS*.Hα-helixtrans-61.3-39.2176.4-63.5-74.8000112.4C606 S610 V611 L612 P651C606-F608 PolarHBondContact O-N 3.27Å; F608-S610 VanDerWaalsContact C-N 3.32Å; F608-S610 PolarHBondContact O-N 2.77Å; F608-V611 PolarHBondContact O-N 3.34Å; F608-L612 WeakPolarHBondContact O-CG 3.15Å; F608-L612 PolarHBondContact O-N 2.89Å; F608-P651 HydrophobicContact CB-CG 4.21Å
609C93.2Very high91.9Very high4 Ų451 Ų513%0.02726%0.261CS..Hα-helixtrans-64.9-39.6178.1-52.10000111.1F600 C606 G607 L612 N613F600-C609 HydrophobicContact CE1-CB 4.42Å; F600-C609 HydrophobicContact CZ-CB 4.25Å; C606-C609 HydrophobicContact CB-CB 3.61Å; C606-C609 WeakPolarHBondContact CB-SG 3.35Å; C606-C609 WeakPolarHBondContact O-CB 3.34Å; C606-C609 PolarHBondContact O-N 3.02Å; C606-C609 WeakPolarHBondContact SG-CB 3.32Å; C606-C609 PolarHBondContact SG-N 3.11Å; C606-C609 CovalentContact SG-SG 2.05Å; C606-C609 PolarHBondContact SG-SG 3.46Å; G607-C609 VanDerWaalsContact C-N 3.31Å; G607-C609 PolarHBondContact O-N 2.72Å; C609-L612 PolarHBondContact O-N 3.29Å; C609-N613 PolarHBondContact O-N 3.32Å
610S90.4Very high91.7Very high75 Ų7551.1 Ų51.152%0.52426%0.263SS..Hα-helixtrans-63-41.9175.1-590000111.6C606 G607 F608 N613C606-S610 PolarHBondContact O-N 3.4Å; C606-S610 VanDerWaalsContact O-N 3.1Å; C606-S610 PolarHBondContact O-OG 3.02Å; G607-S610 WeakPolarHBondContact O-CB 3.45Å; G607-S610 PolarHBondContact O-N 3.48Å; F608-S610 VanDerWaalsContact C-N 3.32Å; F608-S610 PolarHBondContact O-N 2.77Å; S610-N613 WeakPolarHBondContact O-CB 3.28Å; S610-N613 PolarHBondContact O-N 3.34Å
611V90Very high91.5Very high92 Ų9259.1 Ų59.156%0.55829%0.292SS*.Hα-helixtrans-62.2-47.4174.11770000110.1G607 F608 N613 H614G607-V611 PolarHBondContact O-N 2.8Å; F608-V611 PolarHBondContact O-N 3.34Å; V611-N613 PolarHBondContact O-N 3.1Å; V611-N613 VanDerWaalsContact O-N 3.13Å; V611-H614 PolarHBondContact O-CE1 3.25Å; V611-H614 PolarHBondContact O-ND1 3.41Å
612L92Very high91.2Very high21 Ų2164.3 Ų64.311%0.1132%0.32CS..Hα-helixtrans-69-13.2-176.9-66176000114.9F600 F608 C609 H614 V615 L616 P651 I673F600-L612 HydrophobicContact CE2-CB 4.33Å; F600-L612 HydrophobicContact CE2-CD1 4.01Å; F600-L612 HydrophobicContact CZ-CB 4.1Å; F600-L612 HydrophobicContact CZ-CD1 4.27Å; F608-L612 WeakPolarHBondContact O-CG 3.15Å; F608-L612 PolarHBondContact O-N 2.89Å; C609-L612 PolarHBondContact O-N 3.29Å; L612-H614 VanDerWaalsContact C-N 3.27Å; L612-H614 PolarHBondContact O-N 3.1Å; L612-V615 WeakPolarHBondContact O-CB 3.44Å; L612-V615 PolarHBondContact O-N 3.45Å; L612-L616 PolarHBondContact O-N 3.43Å; L612-P651 HydrophobicContact CD1-CB 3.94Å; L612-P651 HydrophobicContact CD1-CG 3.56Å; L612-I673 HydrophobicContact CD1-CB 4.24Å; L612-I673 HydrophobicContact CD1-CD1 3.56Å; L612-I673 HydrophobicContact CD1-CG1 4.5Å; L612-I673 HydrophobicContact CD1-CG2 4.13Å; L612-I673 HydrophobicContact CD2-CB 3.77Å; L612-I673 HydrophobicContact CD2-CG2 3.69Å; L612-I673 HydrophobicContact CG-CG2 4.47Å
613N90.1Very high90.8Very high51 Ų5164 Ų6427%0.27332%0.32SS..Hα-helixtrans-59.2-37.3-177.8-160.635.8000112.5C609 S610 V611 V615 L616 I617 R633C609-N613 PolarHBondContact O-N 3.32Å; S610-N613 WeakPolarHBondContact O-CB 3.28Å; S610-N613 PolarHBondContact O-N 3.34Å; V611-N613 PolarHBondContact O-N 3.1Å; V611-N613 VanDerWaalsContact O-N 3.13Å; N613-V615 PolarHBondContact O-N 3.27Å; N613-L616 PolarHBondContact O-N 2.88Å; N613-I617 WeakPolarHBondContact O-CD1 3.43Å; N613-I617 VanDerWaalsContact O-CG1 3.24Å; N613-I617 WeakPolarHBondContact O-CG1 3.43Å; N613-I617 PolarHBondContact O-N 2.84Å; N613-R633 PolarHBondContact OD1-NH1 3.5Å
614H90.3Very high90.3Very high100 Ų10069.7 Ų69.746%0.46335%0.346SS..Hα-helixtrans-66.2-37.6176.273-88.8000112.4V611 L612 I617 Q618V611-H614 PolarHBondContact O-CE1 3.25Å; V611-H614 PolarHBondContact O-ND1 3.41Å; L612-H614 VanDerWaalsContact C-N 3.27Å; L612-H614 PolarHBondContact O-N 3.1Å; H614-I617 PolarHBondContact O-N 2.92Å; H614-Q618 VanDerWaalsContact O-CG 3.31Å; H614-Q618 WeakPolarHBondContact O-CG 3.35Å; H614-Q618 PolarHBondContact O-N 2.88Å
615V92.8Very high89.6Confident11 Ų1168.2 Ų68.27%0.06736%0.358CS..Hα-helixtrans-65.3-43.2177.6-175.40000110.3L612 N613 Q618 L619 L675 L678L612-V615 WeakPolarHBondContact O-CB 3.44Å; L612-V615 PolarHBondContact O-N 3.45Å; N613-V615 PolarHBondContact O-N 3.27Å; V615-Q618 PolarHBondContact O-N 3.29Å; V615-L619 WeakPolarHBondContact O-CB 3.19Å; V615-L619 PolarHBondContact O-N 2.96Å; V615-L675 HydrophobicContact CG1-CB 4.18Å; V615-L678 HydrophobicContact CG1-CD1 3.86Å
616L91.9Very high89.1Confident4 Ų462 Ų622%0.02134%0.338CS..Hα-helixtrans-64.8-40.6177.1-70.7168.6000112.4I578 F600 L612 N613 L619 A620I578-L616 HydrophobicContact CD1-CB 4.25Å; F600-L616 HydrophobicContact CB-CD1 3.91Å; F600-L616 HydrophobicContact CB-CD2 4.27Å; F600-L616 HydrophobicContact CD1-CD1 3.3Å; F600-L616 HydrophobicContact CD2-CD1 3.65Å; F600-L616 HydrophobicContact CD2-CD2 4.34Å; F600-L616 HydrophobicContact CE1-CD1 3.52Å; F600-L616 HydrophobicContact CE2-CD1 3.88Å; F600-L616 HydrophobicContact CG-CD1 3.35Å; F600-L616 HydrophobicContact CG-CD2 4.35Å; F600-L616 HydrophobicContact CG-CG 4.46Å; F600-L616 HydrophobicContact CZ-CD1 3.81Å; L612-L616 PolarHBondContact O-N 3.43Å; N613-L616 PolarHBondContact O-N 2.88Å; L616-L619 PolarHBondContact O-N 2.93Å; L616-A620 VanDerWaalsContact O-CB 3.3Å; L616-A620 WeakPolarHBondContact O-CB 3.32Å; L616-A620 PolarHBondContact O-N 3.45Å
617I91.5Very high88.4Confident54 Ų5469 Ų6928%0.27737%0.37SS..Hα-helixtrans-64.1-43.8175.8-68.4164.3000110.5L577 I578 N613 H614 A620 R621L577-I617 HydrophobicContact CD2-CG2 3.98Å; I578-I617 HydrophobicContact CD1-CG1 3.89Å; N613-I617 WeakPolarHBondContact O-CD1 3.43Å; N613-I617 VanDerWaalsContact O-CG1 3.24Å; N613-I617 WeakPolarHBondContact O-CG1 3.43Å; N613-I617 PolarHBondContact O-N 2.84Å; H614-I617 PolarHBondContact O-N 2.92Å; I617-A620 PolarHBondContact O-N 3.43Å; I617-R621 WeakPolarHBondContact O-CG 3.39Å; I617-R621 PolarHBondContact O-N 3.44Å
618Q91.8Very high88.1Confident93 Ų9368.4 Ų68.444%0.43536%0.356SS..Hα-helixtrans-60.6-45.4175.7-74.9175.1-1500111.6H614 V615 R621 L622 L675H614-Q618 VanDerWaalsContact O-CG 3.31Å; H614-Q618 WeakPolarHBondContact O-CG 3.35Å; H614-Q618 PolarHBondContact O-N 2.88Å; V615-Q618 PolarHBondContact O-N 3.29Å; Q618-R621 PolarHBondContact O-N 3.02Å; Q618-L622 WeakPolarHBondContact O-CG 3.1Å; Q618-L622 PolarHBondContact O-N 3.13Å; Q618-L675 HydrophobicContact CB-CD1 4.49Å; Q618-L675 HydrophobicContact CB-CD2 4.2Å
619L91.8Very high88Confident0 Ų061.5 Ų61.50%033%0.326CS..Hα-helixtrans-60.1-47.5176.1179.665.8000111.6L598 V615 L616 R621 L622 L623 L675 L678 L679 I682L598-L619 HydrophobicContact CD2-CD2 3.52Å; V615-L619 WeakPolarHBondContact O-CB 3.19Å; V615-L619 PolarHBondContact O-N 2.96Å; L616-L619 PolarHBondContact O-N 2.93Å; L619-R621 VanDerWaalsContact C-N 3.31Å; L619-R621 PolarHBondContact O-N 2.92Å; L619-L622 PolarHBondContact O-N 3.03Å; L619-L623 HydrophobicContact CD1-CD1 3.78Å; L619-L623 HydrophobicContact CD1-CG 4.25Å; L619-L623 HydrophobicContact CG-CD1 3.92Å; L619-L623 WeakPolarHBondContact O-CG 3.24Å; L619-L623 PolarHBondContact O-N 3.38Å; L619-L675 HydrophobicContact CB-CD1 3.67Å; L619-L675 HydrophobicContact CD1-CD1 3.88Å; L619-L675 HydrophobicContact CG-CD1 4.39Å; L619-L678 HydrophobicContact CD2-CB 4.22Å; L619-L678 HydrophobicContact CD2-CD1 4.15Å; L619-L679 HydrophobicContact CD1-CD2 3.57Å; L619-L679 HydrophobicContact CD1-CG 3.95Å; L619-I682 HydrophobicContact CD1-CD1 4.04Å; L619-I682 HydrophobicContact CD2-CD1 4.05Å
620A90.9Very high87.9Confident4 Ų462.8 Ų62.83%0.03333%0.334CS..Hα-helixtrans-64.5-35.6-179.500000112.1L577 I578 L616 I617 L623 Q624 V631L577-A620 HydrophobicContact CD1-CB 4.22Å; L577-A620 HydrophobicContact CD2-CB 4.06Å; L577-A620 HydrophobicContact CG-CB 3.7Å; I578-A620 HydrophobicContact CD1-CB 4.4Å; I578-A620 HydrophobicContact CG1-CB 3.71Å; L616-A620 VanDerWaalsContact O-CB 3.3Å; L616-A620 WeakPolarHBondContact O-CB 3.32Å; L616-A620 PolarHBondContact O-N 3.45Å; I617-A620 PolarHBondContact O-N 3.43Å; A620-L623 PolarHBondContact O-N 3.24Å; A620-Q624 WeakPolarHBondContact O-CB 3.37Å; A620-Q624 PolarHBondContact O-N 3.29Å; A620-V631 HydrophobicContact CB-CB 4.17Å; A620-V631 HydrophobicContact CB-CG1 4.28Å; A620-V631 HydrophobicContact CB-CG2 4.29Å
621R90.7Very high88Confident171 Ų17159.7 Ų59.765%0.64531%0.312SS*.Hα-helixtrans-63.6-43.2171.7-73.8-176.8-177.9170.6-1.1112.3L577 I617 Q618 L619 L623 Q624L577-R621 HydrophobicContact CD1-CG 4.14Å; L577-R621 HydrophobicContact CD2-CG 3.59Å; L577-R621 HydrophobicContact CG-CG 4.5Å; I617-R621 WeakPolarHBondContact O-CG 3.39Å; I617-R621 PolarHBondContact O-N 3.44Å; Q618-R621 PolarHBondContact O-N 3.02Å; L619-R621 VanDerWaalsContact C-N 3.31Å; L619-R621 PolarHBondContact O-N 2.92Å; R621-L623 VanDerWaalsContact C-N 3.27Å; R621-L623 PolarHBondContact O-N 3.28Å; R621-Q624 WeakPolarHBondContact O-CB 3.42Å; R621-Q624 PolarHBondContact O-N 2.92Å
622L88.7Confident88.2Confident110 Ų11055.3 Ų55.358%0.57629%0.286SS*.Hα-helixtrans-64.7-33.9177.6-73.2173.1000112.4Q618 L619 L675 L679Q618-L622 WeakPolarHBondContact O-CG 3.1Å; Q618-L622 PolarHBondContact O-N 3.13Å; L619-L622 PolarHBondContact O-N 3.03Å; L622-L675 HydrophobicContact CD1-CD1 4.03Å; L622-L675 HydrophobicContact CD1-CD2 3.76Å; L622-L675 HydrophobicContact CD1-CG 4.22Å; L622-L679 HydrophobicContact CD1-CD1 4.31Å
623L85.9Confident88.3Confident25 Ų2556.8 Ų56.813%0.13129%0.29CS..Hα-helixtrans-91.6-1.1-178.8-62.9176.5000113.8L619 A620 R621 G625 N626 I629 V631 I682L619-L623 HydrophobicContact CD1-CD1 3.78Å; L619-L623 HydrophobicContact CD1-CG 4.25Å; L619-L623 HydrophobicContact CG-CD1 3.92Å; L619-L623 WeakPolarHBondContact O-CG 3.24Å; L619-L623 PolarHBondContact O-N 3.38Å; A620-L623 PolarHBondContact O-N 3.24Å; R621-L623 VanDerWaalsContact C-N 3.27Å; R621-L623 PolarHBondContact O-N 3.28Å; L623-G625 PolarHBondContact O-N 3.44Å; L623-N626 PolarHBondContact O-N 3.33Å; L623-I629 HydrophobicContact CD1-CG2 3.93Å; L623-I629 HydrophobicContact CD2-CD1 4.18Å; L623-V631 HydrophobicContact CD1-CG2 3.94Å; L623-I682 HydrophobicContact CD1-CD1 4.1Å
624Q81Confident88.5Confident130 Ų13054.3 Ų54.361%0.60728%0.277SS*.THydrogen-bonded Turntrans-60.8-22.2-173.7-164.3168.95.700113.7L577 A620 R621L577-Q624 HydrophobicContact CD1-CB 4.27Å; L577-Q624 VanDerWaalsContact CD1-CD 3.41Å; L577-Q624 HydrophobicContact CD1-CG 4Å; L577-Q624 VanDerWaalsContact CD1-OE1 3.3Å; A620-Q624 WeakPolarHBondContact O-CB 3.37Å; A620-Q624 PolarHBondContact O-N 3.29Å; R621-Q624 WeakPolarHBondContact O-CB 3.42Å; R621-Q624 PolarHBondContact O-N 2.92Å
625G73.5Confident88.6Confident69 Ų6949.7 Ų49.771%0.71126%0.255SS*.THydrogen-bonded Turntrans-87.8-9.2175.300000115.3L623L623-G625 PolarHBondContact O-N 3.44Å
626N77.8Confident88.6Confident61 Ų6151.4 Ų51.433%0.32627%0.266SS..  trans-102.1107.8-179.9-171.7-8.7000111L623 T628 I629L623-N626 PolarHBondContact O-N 3.33Å; N626-T628 PolarHBondContact ND2-OG1 2.95Å; N626-T628 PolarHBondContact O-N 3.4Å; N626-T628 WeakPolarHBondContact OD1-CB 3.45Å; N626-T628 WeakPolarHBondContact OD1-CG2 3.18Å; N626-T628 PolarHBondContact OD1-N 3.37Å; N626-T628 PolarHBondContact OD1-OG1 2.84Å; N626-I629 PolarHBondContact O-N 3.17Å
627H77.9Confident88.4Confident160 Ų16053.2 Ų53.274%0.74128%0.281SS*.THydrogen-bonded Turntrans-71.3-10.5178.8-59.1-49.7000114.2
628T85.9Confident88.2Confident40 Ų4056.1 Ų56.125%0.24529%0.289CS..THydrogen-bonded Turntrans-84-21.4179.2790000113.1K595 D596 N626 S688K595-T628 CarbonylContact C-O 3.55Å; K595-T628 WeakPolarHBondContact CA-O 3.49Å; D596-T628 PolarHBondContact N-O 3.41Å; N626-T628 PolarHBondContact ND2-OG1 2.95Å; N626-T628 PolarHBondContact O-N 3.4Å; N626-T628 WeakPolarHBondContact OD1-CB 3.45Å; N626-T628 WeakPolarHBondContact OD1-CG2 3.18Å; N626-T628 PolarHBondContact OD1-N 3.37Å; N626-T628 PolarHBondContact OD1-OG1 2.84Å; T628-S688 PolarHBondContact OG1-OG 3.24Å
629I89.8Confident88.2Confident16 Ų1651.9 Ų51.98%0.08227%0.269CS..EExtended strand (participates in β ladder)trans-113.3124.6-176-56.6167.4000109.8D596 L623 N626 I682D596-I629 HydrophobicContact CB-CG1 4.15Å; D596-I629 CarbonylContact O-C 3.59Å; D596-I629 WeakPolarHBondContact O-CA 3.34Å; L623-I629 HydrophobicContact CD1-CG2 3.93Å; L623-I629 HydrophobicContact CD2-CD1 4.18Å; N626-I629 PolarHBondContact O-N 3.17Å; I629-I682 HydrophobicContact CD1-CG2 3.9Å
630T91Very high88Confident31 Ų3155.1 Ų55.119%0.1929%0.286CS..EExtended strand (participates in β ladder)trans-109.8124174.9-58.60000110K595 D596 V597 L598K595-T630 WeakPolarHBondContact CD-OG1 3.23Å; D596-T630 PolarHBondContact O-N 3.04Å; V597-T630 WeakPolarHBondContact CA-O 3.19Å; L598-T630 PolarHBondContact N-O 3.11Å
631V93.3Very high88Confident10 Ų1055.5 Ų55.56%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-92.7117.1170-175.70000108.2I578 T579 A620 L623I578-V631 HydrophobicContact CG1-CG1 4.48Å; I578-V631 HydrophobicContact CG2-CG1 4.48Å; T579-V631 PolarHBondContact N-O 2.88Å; A620-V631 HydrophobicContact CB-CB 4.17Å; A620-V631 HydrophobicContact CB-CG1 4.28Å; A620-V631 HydrophobicContact CB-CG2 4.29Å; L623-V631 HydrophobicContact CD1-CG2 3.94Å
632A93.8Very high87.8Confident1 Ų148.2 Ų48.21%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-125.3156-177.500000111.3T579 L581 V597 L598 L599 F600T579-A632 CarbonylContact O-C 3.54Å; T579-A632 WeakPolarHBondContact O-CA 3.35Å; L581-A632 HydrophobicContact CD1-CB 4.02Å; L581-A632 HydrophobicContact CD2-CB 4.48Å; L581-A632 HydrophobicContact CG-CB 4.06Å; V597-A632 HydrophobicContact CG1-CB 4.21Å; L598-A632 PolarHBondContact O-N 3.35Å; L599-A632 WeakPolarHBondContact CA-O 3.41Å; L599-A632 HydrophobicContact CD1-CB 4.12Å; F600-A632 PolarHBondContact N-O 2.93Å
633R93.9Very high87.6Confident51 Ų5150.9 Ų50.919%0.19227%0.265CS..EExtended strand (participates in β ladder)trans-138.7152.6171.669.3179.9-174.1178.84.3111.4I578 T579 E580 L581 F600 Y602 N613I578-R633 HydrophobicContact CG2-CB 4.27Å; I578-R633 HydrophobicContact CG2-CG 3.83Å; T579-R633 PolarHBondContact O-N 2.88Å; E580-R633 IonicContact OE1-CZ 2.86Å; E580-R633 IonicContact OE1-NE 2.7Å; E580-R633 PolarHBondContact OE1-NE 2.9Å; E580-R633 IonicContact OE1-NH2 3.06Å; E580-R633 PolarHBondContact OE1-NH2 2.92Å; E580-R633 VanDerWaalsContact OE2-CG 3.3Å; E580-R633 WeakPolarHBondContact OE2-CG 3.14Å; E580-R633 IonicContact OE2-NE 3.37Å; E580-R633 PolarHBondContact OE2-NE 3.48Å; L581-R633 PolarHBondContact N-O 2.72Å; F600-R633 HydrophobicContact CB-CB 4.03Å; F600-R633 HydrophobicContact CD1-CB 4.21Å; F600-R633 CarbonylContact O-C 3.55Å; F600-R633 WeakPolarHBondContact O-CA 3.49Å; F600-R633 WeakPolarHBondContact O-CB 3.32Å; Y602-R633 HydrophobicContact CD1-CB 4.04Å; Y602-R633 HydrophobicContact CD1-CG 4.24Å; Y602-R633 HydrophobicContact CE1-CB 3.97Å; Y602-R633 HydrophobicContact CE1-CG 3.68Å; N613-R633 PolarHBondContact OD1-NH1 3.5Å
634V94.1Very high87.6Confident0 Ų054.4 Ų54.40%028%0.281CS..EExtended strand (participates in β ladder)trans-135.1130.7-179.962.30000110.6L581 F586 L599 F600 Y601 Y602 V636 N639 L641L581-V634 HydrophobicContact CB-CB 4.29Å; F586-V634 HydrophobicContact CD2-CG2 4.34Å; F586-V634 HydrophobicContact CE2-CB 4.46Å; F586-V634 HydrophobicContact CE2-CG1 4.25Å; F586-V634 HydrophobicContact CE2-CG2 4.44Å; L599-V634 HydrophobicContact CD1-CB 4.18Å; L599-V634 HydrophobicContact CD1-CG1 3.87Å; L599-V634 HydrophobicContact CD2-CG1 4.28Å; L599-V634 HydrophobicContact CG-CG1 4.23Å; F600-V634 PolarHBondContact O-N 3.36Å; Y601-V634 HydrophobicContact CD1-CG1 3.7Å; Y601-V634 HydrophobicContact CE1-CG1 4.03Å; Y601-V634 HydrophobicContact CG-CG1 4.05Å; Y602-V634 VanDerWaalsContact CD1-C 3.48Å; Y602-V634 WeakPolarHBondContact CD1-O 3.47Å; Y602-V634 VanDerWaalsContact CE1-C 3.46Å; Y602-V634 PolarHBondContact N-O 2.91Å; V634-V636 HydrophobicContact CG1-CG1 4.24Å; V634-V636 PolarHBondContact O-N 3.16Å; V634-N639 HydrophobicContact CG2-CB 4.44Å; V634-L641 HydrophobicContact CG1-CD1 4.25Å; V634-L641 HydrophobicContact CG2-CD1 4.27Å; V634-L641 HydrophobicContact CG2-CD2 4.13Å
635N92.6Very high87.9Confident3 Ų350.1 Ų50.12%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-87.295.9174.7-176.51000109.9Y602 A637 R638 N639Y602-N635 HydrophobicContact CE1-CB 3.92Å; Y602-N635 HydrophobicContact CE2-CB 4.21Å; Y602-N635 WeakPolarHBondContact O-CA 3.26Å; Y602-N635 PolarHBondContact O-OD1 3.48Å; N635-A637 PolarHBondContact O-N 3.29Å; N635-A637 WeakPolarHBondContact OD1-CB 3.31Å; N635-A637 PolarHBondContact OD1-N 3.4Å; N635-R638 PolarHBondContact O-N 3.35Å; N635-R638 VanDerWaalsContact O-N 3.15Å; N635-N639 PolarHBondContact O-N 3.18Å; N635-N639 VanDerWaalsContact O-N 3.15Å; N635-N639 PolarHBondContact O-ND2 2.84Å; N635-N639 VanDerWaalsContact O-ND2 3.16Å
636V92.2Very high88.5Confident46 Ų4653 Ų5328%0.27926%0.257SS..THydrogen-bonded Turntrans-71.4-7.8-177.3-66.10000114.3Y601 Y602 T603 V634 R638 L641 V650Y601-V636 HydrophobicContact CD1-CG1 3.58Å; Y601-V636 HydrophobicContact CE1-CG1 4.35Å; Y602-V636 PolarHBondContact O-N 2.68Å; Y602-V636 VanDerWaalsContact O-N 3.09Å; T603-V636 HydrophobicContact CG2-CG2 3.79Å; V634-V636 HydrophobicContact CG1-CG1 4.24Å; V634-V636 PolarHBondContact O-N 3.16Å; V636-R638 VanDerWaalsContact C-N 3.34Å; V636-L641 HydrophobicContact CG1-CD1 3.99Å; V636-V650 HydrophobicContact CG2-CG1 3.64Å
637A88.3Confident89Confident42 Ų4251.9 Ų51.935%0.34725%0.252SS..THydrogen-bonded Turntrans-81.1-17.1172.700000113.3T603 W605 N635T603-A637 HydrophobicContact CG2-CB 3.75Å; W605-A637 HydrophobicContact CH2-CB 3.3Å; W605-A637 HydrophobicContact CZ2-CB 3.45Å; W605-A637 VanDerWaalsContact CZ2-CB 3.45Å; W605-A637 HydrophobicContact CZ3-CB 4.08Å; N635-A637 PolarHBondContact O-N 3.29Å; N635-A637 WeakPolarHBondContact OD1-CB 3.31Å; N635-A637 PolarHBondContact OD1-N 3.4Å
638R88.3Confident89.4Confident116 Ų11651.7 Ų51.744%0.43826%0.256SS..THydrogen-bonded Turntrans-122.7-6.1-176-63.4-166.5-178.4-169-6113.7G566 E567 Q604 N635 V636G566-R638 WeakPolarHBondContact CA-O 3.4Å; E567-R638 HydrophobicContact CG-CB 4.12Å; E567-R638 WeakPolarHBondContact OE1-CD 3.12Å; E567-R638 IonicContact OE1-CZ 3.03Å; E567-R638 IonicContact OE1-NE 2.67Å; E567-R638 IonicContact OE1-NH1 2.62Å; E567-R638 PolarHBondContact OE1-NH1 3.01Å; Q604-R638 VanDerWaalsContact NE2-CZ 3.26Å; N635-R638 PolarHBondContact O-N 3.35Å; N635-R638 VanDerWaalsContact O-N 3.15Å; V636-R638 VanDerWaalsContact C-N 3.34Å
639N90.1Very high89.6Confident4 Ų454.2 Ų54.22%0.02127%0.265CS..  trans-135.5117.7-176.6-64.4-85.5000108.9G566 E567 T582 T583 V634 N635G566-N639 WeakPolarHBondContact CA-OD1 3.49Å; E567-N639 PolarHBondContact N-OD1 3.23Å; T582-N639 WeakPolarHBondContact CA-OD1 3.48Å; T583-N639 PolarHBondContact N-OD1 3.04Å; T583-N639 WeakPolarHBondContact OG1-CA 3.08Å; T583-N639 WeakPolarHBondContact OG1-CB 3.48Å; V634-N639 HydrophobicContact CG2-CB 4.44Å; N635-N639 PolarHBondContact O-N 3.18Å; N635-N639 VanDerWaalsContact O-N 3.15Å; N635-N639 PolarHBondContact O-ND2 2.84Å; N635-N639 VanDerWaalsContact O-ND2 3.16Å
640D89.2Confident89.7Confident68 Ų6855.7 Ų55.736%0.36428%0.275SS..  trans-72.7135.8168.8-68.8-22.1000108.9L564 V565 T583L564-D640 HydrophobicContact CB-CB 4.01Å; L564-D640 HydrophobicContact CD2-CB 4.05Å; V565-D640 PolarHBondContact N-OD2 3.25Å; V565-D640 WeakPolarHBondContact O-CB 3.4Å; V565-D640 PolarHBondContact O-N 2.77Å; T583-D640 VanDerWaalsContact CG2-O 3.28Å; T583-D640 WeakPolarHBondContact CG2-O 3.3Å; T583-D640 PolarHBondContact OG1-N 3.12Å; T583-D640 PolarHBondContact OG1-O 3.01Å
641L89.4Confident89.8Confident11 Ų1155.4 Ų55.46%0.05827%0.274CS..  trans-113.8154.7177.4-59.6-178.9000109.2F586 Y601 V634 V636 W643F586-L641 HydrophobicContact CB-CD2 4.14Å; F586-L641 HydrophobicContact CD1-CD2 3.89Å; F586-L641 HydrophobicContact CD2-CD1 4.41Å; F586-L641 HydrophobicContact CD2-CD2 3.45Å; F586-L641 VanDerWaalsContact CD2-CD2 3.45Å; F586-L641 HydrophobicContact CE1-CD1 4.45Å; F586-L641 HydrophobicContact CE1-CD2 4.08Å; F586-L641 HydrophobicContact CE2-CD1 3.77Å; F586-L641 HydrophobicContact CE2-CD2 3.68Å; F586-L641 HydrophobicContact CE2-CG 4.35Å; F586-L641 HydrophobicContact CG-CD2 3.56Å; F586-L641 HydrophobicContact CZ-CD1 3.81Å; F586-L641 HydrophobicContact CZ-CD2 4Å; F586-L641 HydrophobicContact CZ-CG 4.41Å; Y601-L641 HydrophobicContact CD1-CD1 4.23Å; Y601-L641 HydrophobicContact CE1-CD1 3.62Å; V634-L641 HydrophobicContact CG1-CD1 4.25Å; V634-L641 HydrophobicContact CG2-CD1 4.27Å; V634-L641 HydrophobicContact CG2-CD2 4.13Å; V636-L641 HydrophobicContact CG1-CD1 3.99Å; L641-W643 PolarHBondContact O-N 3.43Å
642P87.5Confident89.9Confident19 Ų1955.2 Ų55.212%0.12327%0.273CS..  trans-53.2138.4167.1-19.430.1000109.6L564 V587 E644 F645L564-P642 HydrophobicContact CD1-CG 4.19Å; V587-P642 HydrophobicContact CG2-CG 4.11Å; P642-E644 WeakPolarHBondContact CB-OE2 3.3Å; P642-E644 PolarHBondContact O-N 3.32Å; P642-F645 HydrophobicContact CB-CD2 3.9Å; P642-F645 HydrophobicContact CB-CE2 4.38Å; P642-F645 HydrophobicContact CG-CD2 3.99Å; P642-F645 HydrophobicContact CG-CE2 4.39Å; P642-F645 PolarHBondContact O-N 3.04Å
643W83.9Confident89.9Confident165 Ų16555.3 Ų55.363%0.62527%0.273SS*.G310 helixtrans-53.4-29.8-173.769.5-74.1000113.1R562 L641 F645 M646R562-W643 VanDerWaalsContact NH2-CD1 3.31Å; L641-W643 PolarHBondContact O-N 3.43Å; W643-F645 PolarHBondContact O-N 2.85Å; W643-M646 HydrophobicContact CB-SD 4.48Å; W643-M646 PolarHBondContact O-N 3.42Å
644E85.4Confident90Very high99 Ų9953.9 Ų53.946%0.46327%0.269SS..G310 helixtrans-60.9-25.3176.8-56.286.3169.200113.1R562 P642R562-E644 IonicContact NH2-OE1 3.38Å; P642-E644 WeakPolarHBondContact CB-OE2 3.3Å; P642-E644 PolarHBondContact O-N 3.32Å
645F88.9Confident89.9Confident41 Ų4153.9 Ų53.918%0.1827%0.269CS..G310 helixtrans-110.65.9-176.7-56.4-69000113.4F586 I590 Y601 P642 W643 F656F586-F645 HydrophobicContact CD1-CD2 4.48Å; F586-F645 HydrophobicContact CE1-CB 3.67Å; F586-F645 HydrophobicContact CE1-CD1 4.4Å; F586-F645 AromaticContact CE1-CD2 3.7Å; F586-F645 HydrophobicContact CE1-CD2 3.7Å; F586-F645 HydrophobicContact CE1-CE2 4.44Å; F586-F645 AromaticContact CE1-CG 3.67Å; F586-F645 HydrophobicContact CE1-CG 3.67Å; F586-F645 HydrophobicContact CZ-CB 3.86Å; F586-F645 HydrophobicContact CZ-CG 4.22Å; I590-F645 HydrophobicContact CD1-CD1 4.07Å; I590-F645 HydrophobicContact CD1-CD2 4.32Å; I590-F645 HydrophobicContact CD1-CE1 3.77Å; I590-F645 HydrophobicContact CD1-CE2 4.03Å; I590-F645 HydrophobicContact CD1-CG 4.33Å; I590-F645 HydrophobicContact CD1-CZ 3.75Å; Y601-F645 VanDerWaalsContact CE1-O 3.23Å; Y601-F645 WeakPolarHBondContact CE1-O 3.32Å; Y601-F645 PolarHBondContact OH-O 2.89Å; P642-F645 HydrophobicContact CB-CD2 3.9Å; P642-F645 HydrophobicContact CB-CE2 4.38Å; P642-F645 HydrophobicContact CG-CD2 3.99Å; P642-F645 HydrophobicContact CG-CE2 4.39Å; P642-F645 PolarHBondContact O-N 3.04Å; W643-F645 PolarHBondContact O-N 2.85Å; F645-F656 HydrophobicContact CD1-CE1 4.02Å; F645-F656 AromaticContact CD1-CZ 3.97Å; F645-F656 HydrophobicContact CD1-CZ 3.97Å; F645-F656 AromaticContact CE1-CE1 3.79Å; F645-F656 HydrophobicContact CE1-CE1 3.79Å; F645-F656 HydrophobicContact CE1-CZ 4.19Å
646M86.4Confident90Very high130 Ų13053.8 Ų53.864%0.6427%0.269SS*.  trans-72150.9176.2-70.4-174.970.900111.4W643W643-M646 HydrophobicContact CB-SD 4.48Å; W643-M646 PolarHBondContact O-N 3.42Å
647V87.3Confident90Very high36 Ų3651.8 Ų51.822%0.21826%0.257CS..  trans-126.6139.9-178.9-64.20000110.6Y601 H649 L654Y601-V647 HydrophobicContact CD1-CB 4.46Å; Y601-V647 HydrophobicContact CD1-CG1 3.97Å; Y601-V647 HydrophobicContact CD1-CG2 3.6Å; Y601-V647 HydrophobicContact CD2-CG1 4.23Å; Y601-V647 HydrophobicContact CE1-CG1 3.89Å; Y601-V647 HydrophobicContact CE1-CG2 4.23Å; Y601-V647 HydrophobicContact CE2-CG1 4.19Å; Y601-V647 HydrophobicContact CG-CG1 4.12Å; Y601-V647 HydrophobicContact CG-CG2 3.84Å; V647-H649 VanDerWaalsContact C-N 3.31Å; V647-H649 PolarHBondContact O-N 3.42Å; V647-L654 HydrophobicContact CG1-CD1 3.92Å
648D86.9Confident90Very high156 Ų15651.6 Ų51.683%0.83425%0.247SC*.SBendtrans-70-26.7-176.9-52.1-45.5000113.7
649H89.7Confident89.9Confident94 Ų9451 Ų5144%0.43525%0.249SC..SBendtrans-144.7149.3-175.852.3-93.6000112.3V647 S652 K666V647-H649 VanDerWaalsContact C-N 3.31Å; V647-H649 PolarHBondContact O-N 3.42Å; H649-S652 WeakPolarHBondContact O-CB 3.36Å; H649-S652 PolarHBondContact O-OG 3.2Å; H649-K666 PolarHBondContact CE1-NZ 2.72Å; H649-K666 PolarHBondContact NE2-NZ 2.81Å
650V92.3Very high89.8Confident47 Ų4755.6 Ų55.629%0.28527%0.266SS..SBendtrans-112.3142.5170.8-66.80000109.9T603 C606 V636T603-V650 HydrophobicContact CG2-CG1 4.3Å; T603-V650 HydrophobicContact CG2-CG2 4.06Å; C606-V650 HydrophobicContact CB-CG2 4.31Å; V636-V650 HydrophobicContact CG2-CG1 3.64Å
651P93.5Very high89.8Confident25 Ų2552.8 Ų52.816%0.16225%0.251CS..SBendcis-75.6144.9-3.529.7-31.7000112.7F600 Y601 F608 L612F600-P651 HydrophobicContact CE2-CB 3.49Å; F600-P651 VanDerWaalsContact CE2-CB 3.49Å; F600-P651 HydrophobicContact CZ-CB 3.63Å; Y601-P651 WeakPolarHBondContact O-CA 3.44Å; F608-P651 HydrophobicContact CB-CG 4.21Å; L612-P651 HydrophobicContact CD1-CB 3.94Å; L612-P651 HydrophobicContact CD1-CG 3.56Å
652S94.2Very high89.6Confident5 Ų559.6 Ų59.64%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-129.7146.6170.1-80.20000110Y601 H649Y601-S652 WeakPolarHBondContact CD2-O 3.33Å; Y601-S652 PolarHBondContact N-O 3.16Å; Y601-S652 PolarHBondContact O-N 2.9Å; H649-S652 WeakPolarHBondContact O-CB 3.36Å; H649-S652 PolarHBondContact O-OG 3.2Å
653I94.9Very high89.6Confident4 Ų462.8 Ų62.82%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-124.4128178-65.4168.7000108.8L598 L599 F600 Y667 I673 L678L598-I653 HydrophobicContact CD1-CG2 3.58Å; L598-I653 HydrophobicContact CG-CG2 4.14Å; L599-I653 WeakPolarHBondContact O-CA 3.41Å; F600-I653 HydrophobicContact CD2-CD1 4.13Å; F600-I653 HydrophobicContact CD2-CG1 3.64Å; F600-I653 HydrophobicContact CE2-CG1 4.3Å; I653-Y667 HydrophobicContact CB-CG 4.45Å; I653-Y667 WeakPolarHBondContact O-CB 3.19Å; I653-Y667 PolarHBondContact O-N 2.87Å; I653-I673 HydrophobicContact CD1-CD1 4.07Å; I653-I673 HydrophobicContact CD1-CG1 4.36Å; I653-I673 HydrophobicContact CD1-CG2 3.84Å; I653-L678 HydrophobicContact CD1-CD2 3.64Å
654L94.3Very high89.9Confident21 Ų2157.2 Ų57.211%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-122.9142.3172.9-80.680.3000109.4L599 Y601 V647 F656 V665 K666L599-L654 PolarHBondContact N-O 3.43Å; L599-L654 PolarHBondContact O-N 3.08Å; Y601-L654 HydrophobicContact CD2-CD1 4Å; Y601-L654 HydrophobicContact CE2-CB 4.16Å; Y601-L654 HydrophobicContact CE2-CD1 3.5Å; Y601-L654 HydrophobicContact CE2-CG 4.24Å; V647-L654 HydrophobicContact CG1-CD1 3.92Å; L654-F656 HydrophobicContact CB-CE2 3.96Å; L654-F656 HydrophobicContact CB-CZ 4.37Å; L654-F656 HydrophobicContact CD2-CZ 4.22Å; L654-V665 WeakPolarHBondContact CA-O 3.22Å; L654-K666 HydrophobicContact CD1-CG 4.46Å
655L93.8Very high90.3Very high0 Ų054.6 Ų54.60%027%0.274CS..EExtended strand (participates in β ladder)trans-110.5130.6169.9-179.373.2000109.1V597 L598 P657 S664 V665 F681 H685V597-L655 WeakPolarHBondContact O-CA 3.44Å; L598-L655 HydrophobicContact CB-CD1 4.12Å; L598-L655 HydrophobicContact CD1-CB 4.17Å; L598-L655 HydrophobicContact CD1-CD1 4.02Å; L655-P657 WeakPolarHBondContact O-CD 3.37Å; L655-S664 CarbonylContact O-C 3.47Å; L655-S664 VanDerWaalsContact O-CA 3.27Å; L655-S664 WeakPolarHBondContact O-CA 3.47Å; L655-V665 PolarHBondContact N-O 3.48Å; L655-V665 PolarHBondContact O-N 3.14Å; L655-F681 HydrophobicContact CB-CE1 3.69Å; L655-F681 HydrophobicContact CB-CZ 4.04Å; L655-F681 HydrophobicContact CD2-CE1 4.4Å; L655-H685 HydrophobicContact CD2-CB 3.53Å
656F93.9Very high90.5Very high1 Ų157 Ų570%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-107.898.4173.8-64.9-88.9000109.5I590 D596 V597 L599 F645 L654 K661 S664I590-F656 HydrophobicContact CD1-CE1 4.5Å; I590-F656 HydrophobicContact CD1-CZ 4.45Å; D596-F656 WeakPolarHBondContact CA-O 3.24Å; V597-F656 HydrophobicContact CB-CB 4.27Å; V597-F656 PolarHBondContact N-O 2.97Å; V597-F656 PolarHBondContact O-N 3.35Å; L599-F656 HydrophobicContact CB-CD2 4.45Å; L599-F656 HydrophobicContact CB-CE2 4.09Å; L599-F656 HydrophobicContact CD2-CE2 4.02Å; F645-F656 HydrophobicContact CD1-CE1 4.02Å; F645-F656 AromaticContact CD1-CZ 3.97Å; F645-F656 HydrophobicContact CD1-CZ 3.97Å; F645-F656 AromaticContact CE1-CE1 3.79Å; F645-F656 HydrophobicContact CE1-CE1 3.79Å; F645-F656 HydrophobicContact CE1-CZ 4.19Å; L654-F656 HydrophobicContact CB-CE2 3.96Å; L654-F656 HydrophobicContact CB-CZ 4.37Å; L654-F656 HydrophobicContact CD2-CZ 4.22Å; F656-K661 HydrophobicContact CB-CD 3.92Å; F656-K661 PolarHBondContact O-NZ 2.95Å; F656-S664 VanDerWaalsContact CD1-CB 3.49Å; F656-S664 VanDerWaalsContact CE1-CB 3.49Å
657P92Very high90.8Very high4 Ų451.3 Ų51.33%0.02626%0.256CS..  trans-62.4146.6-176.7-21.132.9000112.2D596 L655 R660 K661D596-P657 VanDerWaalsContact OD1-CA 3.29Å; D596-P657 WeakPolarHBondContact OD1-CA 3.48Å; L655-P657 WeakPolarHBondContact O-CD 3.37Å; P657-R660 PolarHBondContact O-N 3.5Å; P657-K661 WeakPolarHBondContact O-CD 3.4Å
658R89Confident91.1Very high37 Ų3752.2 Ų52.214%0.1426%0.263CS..THydrogen-bonded Turntrans-56.2144.6168.866.9-178-168.41675.4110.5D596 R660 D687 S688D596-R658 PolarHBondContact OD1-N 3.14Å; R658-R660 PolarHBondContact O-N 3.27Å; R658-D687 HydrophobicContact CG-CB 4.37Å; R658-D687 PolarHBondContact NH2-O 2.83Å; R658-D687 VanDerWaalsContact NH2-O 3.11Å; R658-S688 PolarHBondContact NH1-OG 3.1Å; R658-S688 VanDerWaalsContact NH2-CA 3.31Å
659H86.1Confident91Very high104 Ų10449 Ų4948%0.48126%0.258SS..THydrogen-bonded Turntrans57.8-10.2-177.8-45.6-57.3000117.3H593H593-H659 PolarHBondContact O-CE1 3.07Å; H593-H659 PolarHBondContact O-N 2.84Å; H593-H659 VanDerWaalsContact O-N 3.1Å; H593-H659 PolarHBondContact O-ND1 2.91Å
660R87.1Confident91Very high100 Ų10052.2 Ų52.238%0.37728%0.278SS..  trans-134.349.9-176.1-61.2-171.5-69.6155.1-2.8112.5P657 R658 H662 L663 D687P657-R660 PolarHBondContact O-N 3.5Å; R658-R660 PolarHBondContact O-N 3.27Å; R660-H662 PolarHBondContact O-N 2.77Å; R660-L663 HydrophobicContact CB-CB 4.45Å; R660-L663 HydrophobicContact CB-CD1 4.38Å; R660-L663 PolarHBondContact O-N 2.77Å; R660-D687 IonicContact CZ-OD1 3.39Å; R660-D687 IonicContact CZ-OD2 2.65Å; R660-D687 IonicContact NE-OD2 2.77Å; R660-D687 PolarHBondContact NE-OD2 3.47Å; R660-D687 VanDerWaalsContact NE-OD2 3.11Å; R660-D687 IonicContact NH2-OD1 3.56Å; R660-D687 PolarHBondContact NH2-OD1 3.03Å; R660-D687 IonicContact NH2-OD2 3.49Å; R660-D687 PolarHBondContact NH2-OD2 3.44Å
661K88.8Confident90.9Very high10 Ų1054.1 Ų54.14%0.04329%0.286CS..G310 helixtrans-57.2-32.4-176.7-62.3-64.3178.2171.90114.5I590 M591 D592 K595 F656 P657 L663 S664I590-K661 VanDerWaalsContact O-CD 3.31Å; I590-K661 WeakPolarHBondContact O-CD 3.32Å; I590-K661 WeakPolarHBondContact O-CE 3.33Å; I590-K661 PolarHBondContact O-NZ 3.04Å; M591-K661 HydrophobicContact CE-CB 4.14Å; M591-K661 HydrophobicContact SD-CB 4.02Å; M591-K661 HydrophobicContact SD-CG 4.4Å; D592-K661 WeakPolarHBondContact O-CE 3.46Å; D592-K661 PolarHBondContact O-NZ 3.25Å; K595-K661 PolarHBondContact O-NZ 3.3Å; F656-K661 HydrophobicContact CB-CD 3.92Å; F656-K661 PolarHBondContact O-NZ 2.95Å; P657-K661 WeakPolarHBondContact O-CD 3.4Å; K661-L663 PolarHBondContact O-N 3.16Å; K661-S664 PolarHBondContact O-N 3.02Å
662H85.2Confident90.8Very high153 Ų15356.9 Ų56.971%0.70830%0.304SS*.G310 helixtrans-67.6-18.3175.861.8-84.4000113.4R660R660-H662 PolarHBondContact O-N 2.77Å
663L87.8Confident90.7Very high86 Ų8658.8 Ų58.845%0.4531%0.313SS..G310 helixtrans-99.943.8174.3-59.9178.3000111.1R660 K661 V665R660-L663 HydrophobicContact CB-CB 4.45Å; R660-L663 HydrophobicContact CB-CD1 4.38Å; R660-L663 PolarHBondContact O-N 2.77Å; K661-L663 PolarHBondContact O-N 3.16Å; L663-V665 WeakPolarHBondContact O-CG2 3.22Å; L663-V665 PolarHBondContact O-N 3.29Å
664S91.3Very high90.6Very high49 Ų4961 Ų6134%0.34333%0.327SS..  trans-60.7137.2174620000110.7L655 F656 K661L655-S664 CarbonylContact O-C 3.47Å; L655-S664 VanDerWaalsContact O-CA 3.27Å; L655-S664 WeakPolarHBondContact O-CA 3.47Å; F656-S664 VanDerWaalsContact CD1-CB 3.49Å; F656-S664 VanDerWaalsContact CE1-CB 3.49Å; K661-S664 PolarHBondContact O-N 3.02Å
665V92.3Very high90.5Very high43 Ų4361.8 Ų61.826%0.26133%0.331SS..EExtended strand (participates in β ladder)trans-114.4126.9-174.7-171.70000109.9L654 L655 L663 F681L654-V665 WeakPolarHBondContact CA-O 3.22Å; L655-V665 PolarHBondContact N-O 3.48Å; L655-V665 PolarHBondContact O-N 3.14Å; L663-V665 WeakPolarHBondContact O-CG2 3.22Å; L663-V665 PolarHBondContact O-N 3.29Å; V665-F681 HydrophobicContact CB-CE2 4.46Å; V665-F681 HydrophobicContact CB-CZ 4.23Å; V665-F681 HydrophobicContact CG1-CE2 3.87Å; V665-F681 HydrophobicContact CG1-CZ 4.08Å
666K93.3Very high90.4Very high92 Ų9266 Ų6640%0.436%0.359SS..EExtended strand (participates in β ladder)trans-79136.2172.3-174.9175.7178.8173.60110.1H649 L654H649-K666 PolarHBondContact CE1-NZ 2.72Å; H649-K666 PolarHBondContact NE2-NZ 2.81Å; L654-K666 HydrophobicContact CD1-CG 4.46Å
667Y94.3Very high90.4Very high10 Ų1068.1 Ų68.14%0.03937%0.37CS..PPolyproline II helixtrans-62.4132.7173.7-174.5-94.9000110.5I653 A669 L671 P672 I673 N677 L678 F681I653-Y667 HydrophobicContact CB-CG 4.45Å; I653-Y667 WeakPolarHBondContact O-CB 3.19Å; I653-Y667 PolarHBondContact O-N 2.87Å; Y667-A669 PolarHBondContact O-N 2.83Å; Y667-L671 HydrophobicContact CE1-CB 4.03Å; Y667-L671 WeakPolarHBondContact CE1-O 3.4Å; Y667-P672 PolarHBondContact OH-O 3.23Å; Y667-I673 HydrophobicContact CD1-CG1 4.07Å; Y667-I673 HydrophobicContact CE1-CG1 3.67Å; Y667-N677 VanDerWaalsContact OH-CB 3.23Å; Y667-N677 WeakPolarHBondContact OH-CB 3.32Å; Y667-L678 HydrophobicContact CD2-CD2 4Å; Y667-L678 HydrophobicContact CE2-CD2 3.83Å; Y667-F681 HydrophobicContact CD2-CB 4Å; Y667-F681 AromaticContact CD2-CD1 3.77Å; Y667-F681 HydrophobicContact CD2-CD1 3.77Å; Y667-F681 AromaticContact CD2-CD2 3.97Å; Y667-F681 HydrophobicContact CD2-CD2 3.97Å; Y667-F681 HydrophobicContact CD2-CE1 4.19Å; Y667-F681 HydrophobicContact CD2-CE2 4.4Å; Y667-F681 AromaticContact CD2-CG 3.64Å; Y667-F681 HydrophobicContact CD2-CG 3.64Å; Y667-F681 HydrophobicContact CD2-CZ 4.49Å; Y667-F681 HydrophobicContact CE2-CB 3.93Å; Y667-F681 HydrophobicContact CE2-CD1 4.49Å; Y667-F681 HydrophobicContact CE2-CG 4.1Å
668P92.4Very high90.4Very high56 Ų5667.9 Ų67.936%0.36437%0.369SS..PPolyproline II helixtrans-63.6129.3-173.7-2334.4000112.6N670 L671P668-N670 PolarHBondContact O-N 2.84Å; P668-L671 HydrophobicContact CB-CD1 3.99Å; P668-L671 HydrophobicContact CB-CG 4.42Å; P668-L671 HydrophobicContact CG-CD1 3.9Å; P668-L671 PolarHBondContact O-N 2.02Å
669A85.4Confident90.5Very high88 Ų8868.4 Ų68.473%0.72737%0.374SS*.THydrogen-bonded Turntrans-63.3-24.3-179.400000113.7Y667 L671Y667-A669 PolarHBondContact O-N 2.83Å; A669-L671 VanDerWaalsContact C-N 3.32Å
670N88.8Confident90.7Very high162 Ų16272.2 Ų72.287%0.86638%0.384SS*.THydrogen-bonded Turntrans-82-9.6-177.5-59.7-12.7000113.2P668P668-N670 PolarHBondContact O-N 2.84Å
671L91.4Very high91Very high86 Ų8667.9 Ų67.945%0.4537%0.368SS..SBendtrans-100.2133-179.6-77.9165.8000110.2Y667 P668 A669 I673Y667-L671 HydrophobicContact CE1-CB 4.03Å; Y667-L671 WeakPolarHBondContact CE1-O 3.4Å; P668-L671 HydrophobicContact CB-CD1 3.99Å; P668-L671 HydrophobicContact CB-CG 4.42Å; P668-L671 HydrophobicContact CG-CD1 3.9Å; P668-L671 PolarHBondContact O-N 2.02Å; A669-L671 VanDerWaalsContact C-N 3.32Å; L671-I673 PolarHBondContact O-N 2.83Å
672P91.3Very high91.1Very high84 Ų8467.5 Ų67.555%0.54537%0.366SS..  trans-66.7136.9174.427.1-31.8000109.8Y667 T674 N677Y667-P672 PolarHBondContact OH-O 3.23Å; P672-T674 HydrophobicContact CB-CG2 4.32Å; P672-T674 PolarHBondContact O-N 2.97Å; P672-N677 PolarHBondContact O-ND2 3.14Å
673I92.3Very high91.1Very high44 Ų4464.5 Ų64.523%0.22636%0.355CS..  trans-76.196.2178.2-58.7169.5000108.1L612 I653 Y667 L671 L678L612-I673 HydrophobicContact CD1-CB 4.24Å; L612-I673 HydrophobicContact CD1-CD1 3.56Å; L612-I673 HydrophobicContact CD1-CG1 4.5Å; L612-I673 HydrophobicContact CD1-CG2 4.13Å; L612-I673 HydrophobicContact CD2-CB 3.77Å; L612-I673 HydrophobicContact CD2-CG2 3.69Å; L612-I673 HydrophobicContact CG-CG2 4.47Å; I653-I673 HydrophobicContact CD1-CD1 4.07Å; I653-I673 HydrophobicContact CD1-CG1 4.36Å; I653-I673 HydrophobicContact CD1-CG2 3.84Å; Y667-I673 HydrophobicContact CD1-CG1 4.07Å; Y667-I673 HydrophobicContact CE1-CG1 3.67Å; L671-I673 PolarHBondContact O-N 2.83Å; I673-L678 HydrophobicContact CG2-CD1 3.83Å; I673-L678 HydrophobicContact CG2-CD2 4.19Å; I673-L678 HydrophobicContact CG2-CG 4.14Å
674T92.9Very high91.1Very high51 Ų5166.1 Ų66.131%0.31336%0.36SS..  trans-128.9158.1176.864.80000109.3P672 N677 L678P672-T674 HydrophobicContact CB-CG2 4.32Å; P672-T674 PolarHBondContact O-N 2.97Å; T674-N677 PolarHBondContact O-N 2.8Å; T674-N677 VanDerWaalsContact OG1-CG 3.24Å; T674-N677 PolarHBondContact OG1-ND2 2.81Å; T674-N677 VanDerWaalsContact OG1-ND2 3.11Å; T674-L678 WeakPolarHBondContact O-CG 3.28Å; T674-L678 PolarHBondContact O-N 2.9Å
675L91.1Very high90.9Very high37 Ų3766.1 Ų66.119%0.19436%0.355CS..Hα-helixtrans-55.3-46.3-178.9-178.765.6000113.3V615 Q618 L619 L622 N677 L678 L679V615-L675 HydrophobicContact CG1-CB 4.18Å; Q618-L675 HydrophobicContact CB-CD1 4.49Å; Q618-L675 HydrophobicContact CB-CD2 4.2Å; L619-L675 HydrophobicContact CB-CD1 3.67Å; L619-L675 HydrophobicContact CD1-CD1 3.88Å; L619-L675 HydrophobicContact CG-CD1 4.39Å; L622-L675 HydrophobicContact CD1-CD1 4.03Å; L622-L675 HydrophobicContact CD1-CD2 3.76Å; L622-L675 HydrophobicContact CD1-CG 4.22Å; L675-N677 PolarHBondContact O-N 2.91Å; L675-L678 PolarHBondContact O-N 2.91Å; L675-L679 HydrophobicContact CD1-CD1 4.39Å; L675-L679 HydrophobicContact CD1-CG 4.49Å; L675-L679 HydrophobicContact CG-CD1 4.24Å; L675-L679 WeakPolarHBondContact O-CG 3.24Å; L675-L679 PolarHBondContact O-N 2.95Å
676P92.1Very high90.4Very high89 Ų8964.2 Ų64.258%0.57834%0.343SS*.Hα-helixtrans-63.4-39.5177.7-22.935.1000113.3L679 R680P676-L679 PolarHBondContact O-N 2.95Å; P676-R680 WeakPolarHBondContact O-CB 3.48Å; P676-R680 PolarHBondContact O-N 2.83Å
677N93Very high89.2Confident45 Ų4561.7 Ų61.724%0.24133%0.334CS..Hα-helixtrans-69.9-37.8180-67.1-16.7000111.8Y667 P672 T674 L675 R680 F681Y667-N677 VanDerWaalsContact OH-CB 3.23Å; Y667-N677 WeakPolarHBondContact OH-CB 3.32Å; P672-N677 PolarHBondContact O-ND2 3.14Å; T674-N677 PolarHBondContact O-N 2.8Å; T674-N677 VanDerWaalsContact OG1-CG 3.24Å; T674-N677 PolarHBondContact OG1-ND2 2.81Å; T674-N677 VanDerWaalsContact OG1-ND2 3.11Å; L675-N677 PolarHBondContact O-N 2.91Å; N677-R680 PolarHBondContact O-N 2.88Å; N677-F681 VanDerWaalsContact O-CB 3.29Å; N677-F681 WeakPolarHBondContact O-CB 3.11Å; N677-F681 PolarHBondContact O-N 2.81Å
678L92.8Very high87.4Confident0 Ų062.7 Ų62.70%034%0.343CS..Hα-helixtrans-65.3-43.8174.8-73.3174.4000111.7V615 L619 I653 Y667 I673 T674 L675 F681 I682V615-L678 HydrophobicContact CG1-CD1 3.86Å; L619-L678 HydrophobicContact CD2-CB 4.22Å; L619-L678 HydrophobicContact CD2-CD1 4.15Å; I653-L678 HydrophobicContact CD1-CD2 3.64Å; Y667-L678 HydrophobicContact CD2-CD2 4Å; Y667-L678 HydrophobicContact CE2-CD2 3.83Å; I673-L678 HydrophobicContact CG2-CD1 3.83Å; I673-L678 HydrophobicContact CG2-CD2 4.19Å; I673-L678 HydrophobicContact CG2-CG 4.14Å; T674-L678 WeakPolarHBondContact O-CG 3.28Å; T674-L678 PolarHBondContact O-N 2.9Å; L675-L678 PolarHBondContact O-N 2.91Å; L678-F681 PolarHBondContact O-N 3.32Å; L678-I682 WeakPolarHBondContact O-CD1 3.34Å; L678-I682 VanDerWaalsContact O-CG1 3.23Å; L678-I682 WeakPolarHBondContact O-CG1 3.22Å; L678-I682 PolarHBondContact O-N 3.5Å
679L91.1Very high85.4Confident48 Ų4864.6 Ų64.625%0.25135%0.35SS..Hα-helixtrans-59.2-52.7173.9-73.7169.1000110.3L619 L622 L675 P676 F681 I682 L683L619-L679 HydrophobicContact CD1-CD2 3.57Å; L619-L679 HydrophobicContact CD1-CG 3.95Å; L622-L679 HydrophobicContact CD1-CD1 4.31Å; L675-L679 HydrophobicContact CD1-CD1 4.39Å; L675-L679 HydrophobicContact CD1-CG 4.49Å; L675-L679 HydrophobicContact CG-CD1 4.24Å; L675-L679 WeakPolarHBondContact O-CG 3.24Å; L675-L679 PolarHBondContact O-N 2.95Å; P676-L679 PolarHBondContact O-N 2.95Å; L679-F681 PolarHBondContact O-N 3.21Å; L679-I682 PolarHBondContact O-N 3.06Å; L679-I682 VanDerWaalsContact O-N 3.08Å; L679-L683 WeakPolarHBondContact O-CG 2.93Å; L679-L683 PolarHBondContact O-N 2.83Å
680R90.3Very high83.6Confident183 Ų18369.9 Ų69.969%0.69135%0.351SS*.Hα-helixtrans-54.1-42.8177.4-175.7175.8-179.4158.92112.4P676 N677 L683 Q684P676-R680 WeakPolarHBondContact O-CB 3.48Å; P676-R680 PolarHBondContact O-N 2.83Å; N677-R680 PolarHBondContact O-N 2.88Å; R680-L683 PolarHBondContact O-N 3.02Å; R680-Q684 VanDerWaalsContact O-CB 3.28Å; R680-Q684 WeakPolarHBondContact O-CB 2.96Å; R680-Q684 PolarHBondContact O-N 2.7Å
681F92.5Very high81.4Confident9 Ų969.3 Ų69.34%0.03934%0.343CS..Hα-helixtrans-62.4-45.6177.4173.2-106.2000112.4L598 L655 V665 Y667 N677 L678 L679 H685L598-F681 HydrophobicContact CD1-CD1 4.42Å; L598-F681 HydrophobicContact CD1-CE1 4.19Å; L655-F681 HydrophobicContact CB-CE1 3.69Å; L655-F681 HydrophobicContact CB-CZ 4.04Å; L655-F681 HydrophobicContact CD2-CE1 4.4Å; V665-F681 HydrophobicContact CB-CE2 4.46Å; V665-F681 HydrophobicContact CB-CZ 4.23Å; V665-F681 HydrophobicContact CG1-CE2 3.87Å; V665-F681 HydrophobicContact CG1-CZ 4.08Å; Y667-F681 HydrophobicContact CD2-CB 4Å; Y667-F681 AromaticContact CD2-CD1 3.77Å; Y667-F681 HydrophobicContact CD2-CD1 3.77Å; Y667-F681 AromaticContact CD2-CD2 3.97Å; Y667-F681 HydrophobicContact CD2-CD2 3.97Å; Y667-F681 HydrophobicContact CD2-CE1 4.19Å; Y667-F681 HydrophobicContact CD2-CE2 4.4Å; Y667-F681 AromaticContact CD2-CG 3.64Å; Y667-F681 HydrophobicContact CD2-CG 3.64Å; Y667-F681 HydrophobicContact CD2-CZ 4.49Å; Y667-F681 HydrophobicContact CE2-CB 3.93Å; Y667-F681 HydrophobicContact CE2-CD1 4.49Å; Y667-F681 HydrophobicContact CE2-CG 4.1Å; N677-F681 VanDerWaalsContact O-CB 3.29Å; N677-F681 WeakPolarHBondContact O-CB 3.11Å; N677-F681 PolarHBondContact O-N 2.81Å; L678-F681 PolarHBondContact O-N 3.32Å; L679-F681 PolarHBondContact O-N 3.21Å; F681-H685 AromaticContact CD2-CE1 3.65Å; F681-H685 AromaticContact CD2-ND1 3.57Å; F681-H685 AromaticContact CE2-CE1 3.71Å; F681-H685 AromaticContact CE2-ND1 3.68Å; F681-H685 PolarHBondContact O-N 2.65Å; F681-H685 PolarHBondContact O-ND1 3.1Å
682I90.7Very high79Confident2 Ų268.8 Ų68.81%0.0135%0.351CS..Hα-helixtrans-62.5-50.9177-64.7160.6000109.9L598 L619 L623 I629 L678 L679 Q684 H685 S686L598-I682 HydrophobicContact CD1-CG1 4.21Å; L598-I682 HydrophobicContact CD2-CD1 3.9Å; L598-I682 HydrophobicContact CD2-CG1 4.39Å; L619-I682 HydrophobicContact CD1-CD1 4.04Å; L619-I682 HydrophobicContact CD2-CD1 4.05Å; L623-I682 HydrophobicContact CD1-CD1 4.1Å; I629-I682 HydrophobicContact CD1-CG2 3.9Å; L678-I682 WeakPolarHBondContact O-CD1 3.34Å; L678-I682 VanDerWaalsContact O-CG1 3.23Å; L678-I682 WeakPolarHBondContact O-CG1 3.22Å; L678-I682 PolarHBondContact O-N 3.5Å; L679-I682 PolarHBondContact O-N 3.06Å; L679-I682 VanDerWaalsContact O-N 3.08Å; I682-Q684 VanDerWaalsContact C-N 3.27Å; I682-Q684 PolarHBondContact O-N 3.33Å; I682-H685 PolarHBondContact O-N 2.88Å; I682-H685 VanDerWaalsContact O-N 3.12Å; I682-S686 WeakPolarHBondContact O-CB 3.28Å; I682-S686 PolarHBondContact O-N 2.77Å; I682-S686 PolarHBondContact O-OG 3.16Å; I682-S686 VanDerWaalsContact O-OG 3.05Å
683L87.1Confident76.6Confident90 Ų9072.4 Ų72.447%0.47137%0.366SS..Hα-helixtrans-60.5-36.5-177.2-58.3169.5000112.1L679 R680 H685 L689L679-L683 WeakPolarHBondContact O-CG 2.93Å; L679-L683 PolarHBondContact O-N 2.83Å; R680-L683 PolarHBondContact O-N 3.02Å; L683-H685 VanDerWaalsContact C-N 3.32Å; L683-H685 PolarHBondContact O-N 3.1Å; L683-L689 HydrophobicContact CB-CD1 4.42Å; L683-L689 HydrophobicContact CD2-CD1 3.07Å; L683-L689 HydrophobicContact CG-CD1 4.26Å
684Q87.9Confident74Confident120 Ų12073.4 Ų73.456%0.56139%0.387SS*.Hα-helixtrans-68.1-30.5179.5-179.5174.4-1.600113.1R680 I682R680-Q684 VanDerWaalsContact O-CB 3.28Å; R680-Q684 WeakPolarHBondContact O-CB 2.96Å; R680-Q684 PolarHBondContact O-N 2.7Å; I682-Q684 VanDerWaalsContact C-N 3.27Å; I682-Q684 PolarHBondContact O-N 3.33Å
685H86.6Confident71.3Confident50 Ų5076.1 Ų76.123%0.23141%0.408CS..Hα-helixtrans-114.2-7.9-171-60.195000113.5L655 F681 I682 L683L655-H685 HydrophobicContact CD2-CB 3.53Å; F681-H685 AromaticContact CD2-CE1 3.65Å; F681-H685 AromaticContact CD2-ND1 3.57Å; F681-H685 AromaticContact CE2-CE1 3.71Å; F681-H685 AromaticContact CE2-ND1 3.68Å; F681-H685 PolarHBondContact O-N 2.65Å; F681-H685 PolarHBondContact O-ND1 3.1Å; I682-H685 PolarHBondContact O-N 2.88Å; I682-H685 VanDerWaalsContact O-N 3.12Å; L683-H685 VanDerWaalsContact C-N 3.32Å; L683-H685 PolarHBondContact O-N 3.1Å
686S81.6Confident68.8Low2 Ų280.1 Ų80.11%0.01444%0.439CS..  trans-85.9131.5171.968.30000110.9I682 S688I682-S686 WeakPolarHBondContact O-CB 3.28Å; I682-S686 PolarHBondContact O-N 2.77Å; I682-S686 PolarHBondContact O-OG 3.16Å; I682-S686 VanDerWaalsContact O-OG 3.05Å; S686-S688 PolarHBondContact O-N 3Å
687D67.1Low66.1Low39 Ų3981 Ų8121%0.20945%0.454CS..G310 helixtrans-74.2-10.1177.8-73.9-36.8000112.8R658 R660 L689R658-D687 HydrophobicContact CG-CB 4.37Å; R658-D687 PolarHBondContact NH2-O 2.83Å; R658-D687 VanDerWaalsContact NH2-O 3.11Å; R660-D687 IonicContact CZ-OD1 3.39Å; R660-D687 IonicContact CZ-OD2 2.65Å; R660-D687 IonicContact NE-OD2 2.77Å; R660-D687 PolarHBondContact NE-OD2 3.47Å; R660-D687 VanDerWaalsContact NE-OD2 3.11Å; R660-D687 IonicContact NH2-OD1 3.56Å; R660-D687 PolarHBondContact NH2-OD1 3.03Å; R660-D687 IonicContact NH2-OD2 3.49Å; R660-D687 PolarHBondContact NH2-OD2 3.44Å; D687-L689 VanDerWaalsContact C-N 3.25Å; D687-L689 PolarHBondContact O-N 3.16Å
688S56.7Low63.2Low32 Ų3283.7 Ų83.722%0.22448%0.483CS..G310 helixtrans-63.4-17.6-176.2-780000115.7T628 R658 S686T628-S688 PolarHBondContact OG1-OG 3.24Å; R658-S688 PolarHBondContact NH1-OG 3.1Å; R658-S688 VanDerWaalsContact NH2-CA 3.31Å; S686-S688 PolarHBondContact O-N 3Å
689L50.1Low60.3Low96 Ų9688.3 Ų88.350%0.50352%0.521SS..G310 helixtrans-118.8-6.7-173.8-78.3155.5000115.5L683 D687L683-L689 HydrophobicContact CB-CD1 4.42Å; L683-L689 HydrophobicContact CD2-CD1 3.07Å; L683-L689 HydrophobicContact CG-CD1 4.26Å; D687-L689 VanDerWaalsContact C-N 3.25Å; D687-L689 PolarHBondContact O-N 3.16Å
690R47.8Very low57.7Low198 Ų19892.6 Ų92.675%0.74755%0.552SS**THydrogen-bonded Turntrans-79.8-25173.8-78.4-173.2163.7-166.5-4.8113
691Q42.9Very low54.9Low151 Ų15187.3 Ų87.371%0.70655%0.554SS**G310 helixtrans-78.6-17.6179.2-81.4173.9-15.800114.2N693Q691-N693 VanDerWaalsContact C-N 3.32Å; Q691-N693 PolarHBondContact O-N 3.15Å
692A41.2Very low52.5Low75 Ų7593.2 Ų93.262%0.6260%0.596SS**G310 helixtrans-72.7-2217700000113.7
693N41.8Very low49.8Very low159 Ų15996.6 Ų96.685%0.8563%0.632SS**G310 helixtrans-105.97178.9-80.3-1.4000113.6Q691Q691-N693 VanDerWaalsContact C-N 3.32Å; Q691-N693 PolarHBondContact O-N 3.15Å
694G36.1Very low47.9Very low66 Ų6698.4 Ų98.468%0.6865%0.652SS**  trans-100.32.3-169.400000116.4
695S37.8Very low45.5Very low108 Ų10896.1 Ų96.176%0.75566%0.661SS**SBendtrans-116.661.8-175.660.80000113
696S38Very low43.5Very low121 Ų12198.6 Ų98.685%0.84668%0.684SS**  trans-172.891.914664.10000110.1
697A35.9Very low41.9Very low108 Ų108100.9 Ų100.989%0.89371%0.708SS**  trans-127.197.5164.500000108.4
698A31.6Very low40.9Very low101 Ų101103.1 Ų103.184%0.83573%0.726SS**  trans-148118.6163.100000110.5
699A31.6Very low40.5Very low97 Ų97106.1 Ų106.180%0.80275%0.747SS**  trans62.8136.9161.900000120.8
700P37.5Very low40.6Very low138 Ų138104.4 Ų104.490%0.89675%0.747SS**  trans-88.2110.8169.833.7-25.9000110.3
701G31.1Very low41.2Very low72 Ų7299.3 Ų99.374%0.74274%0.737SS**  trans-120.3131.7161.100000109.1
702S40.9Very low41.6Very low133 Ų13397.3 Ų97.393%0.9373%0.731SS**  trans-47.8133.9178.8570000114.4
703G34.7Very low42.8Very low73 Ų7399.4 Ų99.475%0.75373%0.728SS**  trans164.8108.4165.300000114.5
704S47.4Very low43.9Very low127 Ų12794.6 Ų94.689%0.88871%0.71SS**  trans6.5116154.5-167.30000118.2
705G36.8Very low45.6Very low73 Ų7397.1 Ų97.175%0.75370%0.704SS**  trans-143.743.6174.200000112.9G707G705-G707 PolarHBondContact O-N 2.75Å; G705-G707 VanDerWaalsContact O-N 3.12Å
706S44.1Very low47.1Very low102 Ų10297.8 Ų97.871%0.71369%0.694SS**THydrogen-bonded Turntrans-74.313.8-178.7-172.90000114.8
707G48.9Very low48.7Very low50 Ų5096.3 Ų96.352%0.51568%0.676SS.*THydrogen-bonded Turntrans-92.4-38.2-171.200000115.8G705 V711G705-G707 PolarHBondContact O-N 2.75Å; G705-G707 VanDerWaalsContact O-N 3.12Å; G707-V711 WeakPolarHBondContact O-CG2 3.37Å
708S45.7Very low50.5Low86 Ų8693.9 Ų93.960%0.60166%0.656SS**Hα-helixtrans-81.5-35-170.7-173.80000113.4A710 V711 L712S708-A710 PolarHBondContact O-N 3.5Å; S708-V711 PolarHBondContact O-N 2.91Å; S708-L712 PolarHBondContact O-N 3.5Å; S708-L712 VanDerWaalsContact O-N 3.16Å
709S49Very low52.3Low95 Ų9593.7 Ų93.766%0.66464%0.64SS**Hα-helixtrans-67.3-35.1177.6-170.80000112.4H713S709-H713 VanDerWaalsContact O-CB 3.28Å; S709-H713 WeakPolarHBondContact O-CB 3.28Å; S709-H713 PolarHBondContact O-N 2.94Å
710A51.6Low54.5Low60 Ų6093.5 Ų93.550%0.49662%0.623SS.*Hα-helixtrans-71.2-37.5179.700000112.6S708 H713 A714S708-A710 PolarHBondContact O-N 3.5Å; A710-H713 PolarHBondContact O-N 2Å; A710-A714 WeakPolarHBondContact O-CB 3.5Å; A710-A714 PolarHBondContact O-N 3.45Å
711V59.7Low56.4Low90 Ų9092.7 Ų92.755%0.54561%0.607SS.*Hα-helixtrans-69.9-44.1176.7176.50000110.9G707 S708 H713 A714 E715G707-V711 WeakPolarHBondContact O-CG2 3.37Å; S708-V711 PolarHBondContact O-N 2.91Å; V711-H713 VanDerWaalsContact C-N 3.31Å; V711-H713 PolarHBondContact O-N 2.7Å; V711-A714 PolarHBondContact O-N 3.41Å; V711-E715 PolarHBondContact O-N 3.46Å
712L52.4Low58.7Low110 Ų11094.9 Ų94.958%0.57660%0.597SS**Hα-helixtrans-64.3-34.8175.1-76.1165.5000112.5S708 F716S708-L712 PolarHBondContact O-N 3.5Å; S708-L712 VanDerWaalsContact O-N 3.16Å; L712-F716 VanDerWaalsContact O-CB 3.23Å; L712-F716 WeakPolarHBondContact O-CB 3.22Å; L712-F716 PolarHBondContact O-N 3.32Å
713H65.9Low60.4Low119 Ų11992.4 Ų92.455%0.55158%0.577SS**Hα-helixtrans-70.5-36.9175.2-157.869.6000112S709 A710 V711 F716 L717S709-H713 VanDerWaalsContact O-CB 3.28Å; S709-H713 WeakPolarHBondContact O-CB 3.28Å; S709-H713 PolarHBondContact O-N 2.94Å; A710-H713 PolarHBondContact O-N 2Å; V711-H713 VanDerWaalsContact C-N 3.31Å; V711-H713 PolarHBondContact O-N 2.7Å; H713-F716 PolarHBondContact O-N 3.47Å; H713-L717 VanDerWaalsContact O-CG 3.32Å; H713-L717 WeakPolarHBondContact O-CG 3.29Å; H713-L717 PolarHBondContact O-N 3.28Å
714A66.2Low62.4Low58 Ų5894 Ų9448%0.47957%0.565SS.*Hα-helixtrans-67.7-43.1174.700000112.3A710 V711 L717 A718A710-A714 WeakPolarHBondContact O-CB 3.5Å; A710-A714 PolarHBondContact O-N 3.45Å; V711-A714 PolarHBondContact O-N 3.41Å; A714-L717 PolarHBondContact O-N 3.12Å; A714-A718 WeakPolarHBondContact O-CB 3.25Å; A714-A718 PolarHBondContact O-N 3.44Å
715E70.4Confident64.2Low118 Ų11891.4 Ų91.455%0.55154%0.544SS*.Hα-helixtrans-66.2-36.7174.2-75.2-165.5168.800112.3V711 A718 L719V711-E715 PolarHBondContact O-N 3.46Å; E715-A718 PolarHBondContact O-N 2.8Å; E715-L719 WeakPolarHBondContact O-CB 3.25Å; E715-L719 WeakPolarHBondContact O-CG 3.38Å; E715-L719 PolarHBondContact O-N 3.43Å
716F69.9Low66Low123 Ų12393.3 Ų93.354%0.53954%0.536SS..Hα-helixtrans-62.3-42.9174.3-179.6-98.5000111.9L712 H713 L719 Q720L712-F716 VanDerWaalsContact O-CB 3.23Å; L712-F716 WeakPolarHBondContact O-CB 3.22Å; L712-F716 PolarHBondContact O-N 3.32Å; H713-F716 PolarHBondContact O-N 3.47Å; F716-L719 PolarHBondContact O-N 3.27Å; F716-Q720 WeakPolarHBondContact O-CB 3.29Å; F716-Q720 PolarHBondContact O-N 2.89Å
717L71.4Confident67.6Low89 Ų8993.9 Ų93.947%0.46653%0.527SS..Hα-helixtrans-67.6-37.3175.7-72170000112.1H713 A714 Q720 H721H713-L717 VanDerWaalsContact O-CG 3.32Å; H713-L717 WeakPolarHBondContact O-CG 3.29Å; H713-L717 PolarHBondContact O-N 3.28Å; A714-L717 PolarHBondContact O-N 3.12Å; L717-Q720 PolarHBondContact O-N 3.04Å; L717-H721 PolarHBondContact O-N 3.29Å; L717-H721 VanDerWaalsContact O-N 3.1Å
718A74.1Confident69.2Low57 Ų5796.9 Ų96.947%0.47153%0.527SS..Hα-helixtrans-64.3-45.8174.500000111.9A714 E715 Q720 H721 E722A714-A718 WeakPolarHBondContact O-CB 3.25Å; A714-A718 PolarHBondContact O-N 3.44Å; E715-A718 PolarHBondContact O-N 2.8Å; A718-Q720 VanDerWaalsContact C-N 3.31Å; A718-Q720 PolarHBondContact O-N 2.94Å; A718-H721 WeakPolarHBondContact O-CB 3.31Å; A718-H721 PolarHBondContact O-N 2.9Å; A718-E722 PolarHBondContact O-N 3.5Å
719L70Confident70.9Confident97 Ų9795 Ų9551%0.50852%0.517SS..Hα-helixtrans-62-37.9174.3-83.2161.2000112E715 F716 H721 E722 V723E715-L719 WeakPolarHBondContact O-CB 3.25Å; E715-L719 WeakPolarHBondContact O-CG 3.38Å; E715-L719 PolarHBondContact O-N 3.43Å; F716-L719 PolarHBondContact O-N 3.27Å; L719-H721 VanDerWaalsContact C-N 3.29Å; L719-H721 PolarHBondContact O-N 2.8Å; L719-E722 PolarHBondContact O-N 2.89Å; L719-V723 WeakPolarHBondContact O-CB 3.4Å; L719-V723 VanDerWaalsContact O-CG2 3.24Å; L719-V723 WeakPolarHBondContact O-CG2 3.44Å; L719-V723 PolarHBondContact O-N 3.49Å
720Q76.5Confident72.6Confident93 Ų9399.3 Ų99.344%0.43552%0.519SS..Hα-helixtrans-64.8-36.8177.5-161.3174.88.100111.5F716 L717 A718 Q724F716-Q720 WeakPolarHBondContact O-CB 3.29Å; F716-Q720 PolarHBondContact O-N 2.89Å; L717-Q720 PolarHBondContact O-N 3.04Å; A718-Q720 VanDerWaalsContact C-N 3.31Å; A718-Q720 PolarHBondContact O-N 2.94Å; Q720-Q724 WeakPolarHBondContact O-CG 3.5Å; Q720-Q724 PolarHBondContact O-N 3.37Å; Q720-Q724 VanDerWaalsContact O-N 3.11Å
721H76.9Confident74.1Confident121 Ų121101.5 Ų101.556%0.5652%0.519SS*.Hα-helixtrans-69-43.5174.3-164.261.7000112.1L717 A718 L719 V723 Q724 T725L717-H721 PolarHBondContact O-N 3.29Å; L717-H721 VanDerWaalsContact O-N 3.1Å; A718-H721 WeakPolarHBondContact O-CB 3.31Å; A718-H721 PolarHBondContact O-N 2.9Å; L719-H721 VanDerWaalsContact C-N 3.29Å; L719-H721 PolarHBondContact O-N 2.8Å; H721-V723 PolarHBondContact O-N 3.3Å; H721-Q724 PolarHBondContact O-N 3.13Å; H721-T725 WeakPolarHBondContact O-CG2 3.37Å; H721-T725 PolarHBondContact O-N 3.46Å
722E80.4Confident75.3Confident118 Ų118105.6 Ų105.655%0.55152%0.524SS*.Hα-helixtrans-60.6-43.1174.3-81-169.7158.600112.1A718 L719 Q724 T725 L726A718-E722 PolarHBondContact O-N 3.5Å; L719-E722 PolarHBondContact O-N 2.89Å; E722-Q724 VanDerWaalsContact C-N 3.31Å; E722-Q724 PolarHBondContact O-N 3.39Å; E722-T725 PolarHBondContact O-N 3.47Å; E722-T725 VanDerWaalsContact O-N 3.15Å; E722-T725 PolarHBondContact O-OG1 3.36Å; E722-L726 WeakPolarHBondContact O-CG 3.46Å; E722-L726 PolarHBondContact O-N 2.97Å
723V77.4Confident76.7Confident82 Ų82105.4 Ų105.450%0.49752%0.523SS..Hα-helixtrans-61.9-39.2176.81700000111.5L719 H721 L726 H727L719-V723 WeakPolarHBondContact O-CB 3.4Å; L719-V723 VanDerWaalsContact O-CG2 3.24Å; L719-V723 WeakPolarHBondContact O-CG2 3.44Å; L719-V723 PolarHBondContact O-N 3.49Å; H721-V723 PolarHBondContact O-N 3.3Å; V723-L726 PolarHBondContact O-N 3.33Å; V723-H727 PolarHBondContact O-N 3.12Å
724Q75.8Confident77.2Confident107 Ų107103 Ų10350%0.552%0.52SS..Hα-helixtrans-65.2-41.7174-77177.8-12.100111.9Q720 H721 E722 L726 H727 H728Q720-Q724 WeakPolarHBondContact O-CG 3.5Å; Q720-Q724 PolarHBondContact O-N 3.37Å; Q720-Q724 VanDerWaalsContact O-N 3.11Å; H721-Q724 PolarHBondContact O-N 3.13Å; E722-Q724 VanDerWaalsContact C-N 3.31Å; E722-Q724 PolarHBondContact O-N 3.39Å; Q724-L726 VanDerWaalsContact C-N 3.33Å; Q724-L726 PolarHBondContact O-N 3.34Å; Q724-H727 WeakPolarHBondContact O-CB 3.43Å; Q724-H727 PolarHBondContact O-N 3.3Å; Q724-H728 PolarHBondContact O-CD2 3.27Å; Q724-H728 PolarHBondContact O-N 3.35Å
725T85.1Confident78.2Confident72 Ų72106.5 Ų106.544%0.44253%0.526SS..Hα-helixtrans-63.2-40.3176.771.60000111.6H721 E722 H728 A729H721-T725 WeakPolarHBondContact O-CG2 3.37Å; H721-T725 PolarHBondContact O-N 3.46Å; E722-T725 PolarHBondContact O-N 3.47Å; E722-T725 VanDerWaalsContact O-N 3.15Å; E722-T725 PolarHBondContact O-OG1 3.36Å; T725-H728 PolarHBondContact O-N 3.08Å; T725-A729 WeakPolarHBondContact O-CB 3.39Å; T725-A729 PolarHBondContact O-N 3.24Å
726L75.6Confident78.9Confident113 Ų113106.8 Ų106.859%0.59253%0.527SS*.Hα-helixtrans-66.6-36175.2-76.3165.7000112.2E722 V723 Q724 A729 R730E722-L726 WeakPolarHBondContact O-CG 3.46Å; E722-L726 PolarHBondContact O-N 2.97Å; V723-L726 PolarHBondContact O-N 3.33Å; Q724-L726 VanDerWaalsContact C-N 3.33Å; Q724-L726 PolarHBondContact O-N 3.34Å; L726-A729 PolarHBondContact O-N 3.48Å; L726-R730 WeakPolarHBondContact O-CB 3.43Å; L726-R730 PolarHBondContact O-N 3.25Å
727H77.3Confident79.6Confident114 Ų114105.2 Ų105.253%0.52852%0.524SS..Hα-helixtrans-63.8-43.3173.5-107.147.4000112.1V723 Q724 R730 Q731V723-H727 PolarHBondContact O-N 3.12Å; Q724-H727 WeakPolarHBondContact O-CB 3.43Å; Q724-H727 PolarHBondContact O-N 3.3Å; H727-R730 PolarHBondContact O-N 3.39Å; H727-Q731 PolarHBondContact O-N 3.36Å
728H82.2Confident80Confident113 Ų113103.2 Ų103.252%0.52352%0.521SS..Hα-helixtrans-66.5-39.9174.9-76.1-54.4000112.5Q724 T725 Q731 R732Q724-H728 PolarHBondContact O-CD2 3.27Å; Q724-H728 PolarHBondContact O-N 3.35Å; T725-H728 PolarHBondContact O-N 3.08Å; H728-Q731 PolarHBondContact O-N 3.13Å; H728-R732 PolarHBondContact O-N 3.46Å
729A80.4Confident80.7Confident46 Ų46105.4 Ų105.438%0.3852%0.521SS..Hα-helixtrans-61.2-44.6173.800000111.5T725 L726 Q731 R732 L733T725-A729 WeakPolarHBondContact O-CB 3.39Å; T725-A729 PolarHBondContact O-N 3.24Å; L726-A729 PolarHBondContact O-N 3.48Å; A729-Q731 PolarHBondContact O-N 3.44Å; A729-R732 PolarHBondContact O-N 2.91Å; A729-L733 WeakPolarHBondContact O-CB 3.45Å; A729-L733 PolarHBondContact O-N 2.85Å
730R84.9Confident81.5Confident185 Ų185105.8 Ų105.870%0.69852%0.523SS*.Hα-helixtrans-60.1-42.2174.8178-180169.2159-2112L726 H727 L733 S734L726-R730 WeakPolarHBondContact O-CB 3.43Å; L726-R730 PolarHBondContact O-N 3.25Å; H727-R730 PolarHBondContact O-N 3.39Å; R730-L733 PolarHBondContact O-N 3.19Å; R730-S734 WeakPolarHBondContact O-CB 3.42Å; R730-S734 PolarHBondContact O-N 3.14Å; R730-S734 PolarHBondContact O-OG 3.29Å
731Q83.1Confident81.4Confident107 Ų107110 Ų11050%0.554%0.535SS..Hα-helixtrans-63-45.5177-79.2-179.2-18.200111.7H727 H728 A729 L733 S734 Q735H727-Q731 PolarHBondContact O-N 3.36Å; H728-Q731 PolarHBondContact O-N 3.13Å; A729-Q731 PolarHBondContact O-N 3.44Å; Q731-L733 PolarHBondContact O-N 3.29Å; Q731-S734 PolarHBondContact O-N 2.78Å; Q731-S734 PolarHBondContact O-OG 2.77Å; Q731-Q735 WeakPolarHBondContact O-CG 3.33Å; Q731-Q735 PolarHBondContact O-N 3.49Å
732R84.8Confident81.9Confident176 Ų176112 Ų11266%0.66454%0.538SS*.Hα-helixtrans-59.3-46.1175.3-73.4-179.2-173.4153.62.5112.1H728 A729 S734 Q735 Q736H728-R732 PolarHBondContact O-N 3.46Å; A729-R732 PolarHBondContact O-N 2.91Å; R732-S734 VanDerWaalsContact C-N 3.31Å; R732-S734 PolarHBondContact O-N 3.45Å; R732-Q735 PolarHBondContact O-N 3.37Å; R732-Q736 WeakPolarHBondContact O-CG 3.45Å; R732-Q736 PolarHBondContact O-N 2.91Å
733L81.6Confident82.2Confident106 Ų106110.8 Ų110.856%0.55553%0.532SS*.Hα-helixtrans-63.1-39.5177.8-120.6150.8000111.4A729 R730 Q731 Q735 Q736 L737A729-L733 WeakPolarHBondContact O-CB 3.45Å; A729-L733 PolarHBondContact O-N 2.85Å; R730-L733 PolarHBondContact O-N 3.19Å; Q731-L733 PolarHBondContact O-N 3.29Å; L733-Q735 VanDerWaalsContact C-N 3.33Å; L733-Q735 PolarHBondContact O-N 3.44Å; L733-Q736 PolarHBondContact O-N 2.85Å; L733-L737 WeakPolarHBondContact O-CB 3.39Å; L733-L737 PolarHBondContact O-N 2.83Å
734S77.9Confident82.4Confident68 Ų68110.9 Ų110.948%0.47653%0.53SS..Hα-helixtrans-64.9-36.1176.874.40000112.8R730 Q731 R732 A738R730-S734 WeakPolarHBondContact O-CB 3.42Å; R730-S734 PolarHBondContact O-N 3.14Å; R730-S734 PolarHBondContact O-OG 3.29Å; Q731-S734 PolarHBondContact O-N 2.78Å; Q731-S734 PolarHBondContact O-OG 2.77Å; R732-S734 VanDerWaalsContact C-N 3.31Å; R732-S734 PolarHBondContact O-N 3.45Å; S734-A738 WeakPolarHBondContact O-CB 3.35Å; S734-A738 PolarHBondContact O-N 3.37Å
735Q87.1Confident82.6Confident132 Ų132114.3 Ų114.362%0.61754%0.538SS*.Hα-helixtrans-68.6-44.8174.5-71173.5-11.900111.8Q731 R732 L733 L737 A738 Q739Q731-Q735 WeakPolarHBondContact O-CG 3.33Å; Q731-Q735 PolarHBondContact O-N 3.49Å; R732-Q735 PolarHBondContact O-N 3.37Å; L733-Q735 VanDerWaalsContact C-N 3.33Å; L733-Q735 PolarHBondContact O-N 3.44Å; Q735-L737 VanDerWaalsContact C-N 3.31Å; Q735-L737 PolarHBondContact O-N 2.71Å; Q735-A738 PolarHBondContact O-N 3.16Å; Q735-Q739 PolarHBondContact O-N 3.29Å
736Q85.4Confident82.5Confident123 Ų123117.1 Ų117.158%0.57555%0.546SS*.Hα-helixtrans-59.7-43.1174.7-73.9179.3-37.200111.5R732 L733 Q739 L740R732-Q736 WeakPolarHBondContact O-CG 3.45Å; R732-Q736 PolarHBondContact O-N 2.91Å; L733-Q736 PolarHBondContact O-N 2.85Å; Q736-Q739 WeakPolarHBondContact O-CB 3.42Å; Q736-Q739 PolarHBondContact O-N 2.86Å; Q736-L740 WeakPolarHBondContact O-CG 3.25Å; Q736-L740 PolarHBondContact O-N 3.18Å
737L83.3Confident82.8Confident91 Ų91116.6 Ų116.648%0.47654%0.544SS..Hα-helixtrans-65.6-42.3178.4-148.3125.9000110.9L733 Q735 Q739 L740 W741L733-L737 WeakPolarHBondContact O-CB 3.39Å; L733-L737 PolarHBondContact O-N 2.83Å; Q735-L737 VanDerWaalsContact C-N 3.31Å; Q735-L737 PolarHBondContact O-N 2.71Å; L737-Q739 PolarHBondContact O-N 3.24Å; L737-L740 PolarHBondContact O-N 2.85Å; L737-W741 WeakPolarHBondContact O-CB 3.25Å; L737-W741 PolarHBondContact O-N 2.99Å
738A79.7Confident82.8Confident47 Ų47117.3 Ų117.339%0.38855%0.545SS..Hα-helixtrans-63.5-27175.100000113.3S734 Q735 R742S734-A738 WeakPolarHBondContact O-CB 3.35Å; S734-A738 PolarHBondContact O-N 3.37Å; Q735-A738 PolarHBondContact O-N 3.16Å; A738-R742 PolarHBondContact O-N 3.4Å; A738-R742 PolarHBondContact O-NE 3.23Å; A738-R742 VanDerWaalsContact O-NE 3.12Å
739Q88.8Confident82.7Confident102 Ų102118.2 Ų118.248%0.47755%0.548SS..Hα-helixtrans-75.1-49.3173.2-172.9168.1-15.400111.3Q735 Q736 L737 W741 R742 E743Q735-Q739 PolarHBondContact O-N 3.29Å; Q736-Q739 WeakPolarHBondContact O-CB 3.42Å; Q736-Q739 PolarHBondContact O-N 2.86Å; L737-Q739 PolarHBondContact O-N 3.24Å; Q739-W741 PolarHBondContact O-N 3.45Å; Q739-R742 WeakPolarHBondContact O-CB 3.35Å; Q739-R742 PolarHBondContact O-N 3.42Å; Q739-E743 PolarHBondContact O-N 3.11Å
740L86.3Confident82.8Confident106 Ų106120.3 Ų120.356%0.55555%0.553SS**Hα-helixtrans-58.7-35.8175.1-71.1172.7000112.6Q736 L737 R742 E743 N744Q736-L740 WeakPolarHBondContact O-CG 3.25Å; Q736-L740 PolarHBondContact O-N 3.18Å; L737-L740 PolarHBondContact O-N 2.85Å; L740-R742 VanDerWaalsContact C-N 3.34Å; L740-R742 PolarHBondContact O-N 3.23Å; L740-E743 PolarHBondContact O-N 3.21Å; L740-N744 VanDerWaalsContact O-CB 3.25Å; L740-N744 WeakPolarHBondContact O-CB 3.15Å; L740-N744 PolarHBondContact O-N 2.84Å
741W74.9Confident82.6Confident180 Ų180115.8 Ų115.868%0.68254%0.541SS*.Hα-helixtrans-64.4-36.9174.6-94.188000113L737 Q739 R745L737-W741 WeakPolarHBondContact O-CB 3.25Å; L737-W741 PolarHBondContact O-N 2.99Å; Q739-W741 PolarHBondContact O-N 3.45Å; W741-R745 WeakPolarHBondContact O-CB 3.36Å; W741-R745 PolarHBondContact O-N 3.08Å
742R88Confident82.4Confident165 Ų165118.4 Ų118.462%0.62355%0.547SS*.Hα-helixtrans-68.3-46.3175.5-78.6179.2-85.2154.2-8.2110.8A738 Q739 L740 N744 R745 Q746A738-R742 PolarHBondContact O-N 3.4Å; A738-R742 PolarHBondContact O-NE 3.23Å; A738-R742 VanDerWaalsContact O-NE 3.12Å; Q739-R742 WeakPolarHBondContact O-CB 3.35Å; Q739-R742 PolarHBondContact O-N 3.42Å; L740-R742 VanDerWaalsContact C-N 3.34Å; L740-R742 PolarHBondContact O-N 3.23Å; R742-N744 PolarHBondContact O-N 3Å; R742-R745 WeakPolarHBondContact O-CB 3.33Å; R742-R745 PolarHBondContact O-N 2.79Å; R742-Q746 PolarHBondContact O-N 2.98Å
743E86.9Confident82.3Confident91 Ų91111.9 Ų111.943%0.42553%0.534SS..Hα-helixtrans-60.3-45.6176.9-70.1170.2-169.100111.7Q739 L740 R745 Q746 L747Q739-E743 PolarHBondContact O-N 3.11Å; L740-E743 PolarHBondContact O-N 3.21Å; E743-R745 VanDerWaalsContact C-N 3.31Å; E743-R745 PolarHBondContact O-N 2.87Å; E743-Q746 WeakPolarHBondContact O-CB 3.28Å; E743-Q746 PolarHBondContact O-N 2.78Å; E743-Q746 VanDerWaalsContact O-N 3.15Å; E743-L747 WeakPolarHBondContact O-CG 3.2Å; E743-L747 PolarHBondContact O-N 3.18Å
744N81.9Confident82.4Confident85 Ų85112.4 Ų112.446%0.45554%0.536SS..Hα-helixtrans-64.7-36.1177-166.3-17.3000112L740 R742 Q746 L747 K748L740-N744 VanDerWaalsContact O-CB 3.25Å; L740-N744 WeakPolarHBondContact O-CB 3.15Å; L740-N744 PolarHBondContact O-N 2.84Å; R742-N744 PolarHBondContact O-N 3Å; N744-Q746 VanDerWaalsContact C-N 3.31Å; N744-Q746 PolarHBondContact O-N 3.33Å; N744-L747 PolarHBondContact O-N 2.8Å; N744-K748 WeakPolarHBondContact O-CB 3.29Å; N744-K748 WeakPolarHBondContact O-CG 3.2Å; N744-K748 PolarHBondContact O-N 3.46Å
745R78.7Confident82.4Confident179 Ų179114.4 Ų114.468%0.67554%0.538SS*.Hα-helixtrans-64.5-39.4174.5-159176.6-163.9171.43.7111.3W741 R742 E743 K748 F749W741-R745 WeakPolarHBondContact O-CB 3.36Å; W741-R745 PolarHBondContact O-N 3.08Å; R742-R745 WeakPolarHBondContact O-CB 3.33Å; R742-R745 PolarHBondContact O-N 2.79Å; E743-R745 VanDerWaalsContact C-N 3.31Å; E743-R745 PolarHBondContact O-N 2.87Å; R745-K748 PolarHBondContact O-N 3.33Å; R745-F749 HydrophobicContact CG-CD2 4.44Å; R745-F749 HydrophobicContact CG-CE2 4.07Å; R745-F749 WeakPolarHBondContact O-CD2 3.46Å; R745-F749 PolarHBondContact O-N 3.17Å
746Q84.5Confident82.1Confident131 Ų131113.2 Ų113.261%0.61253%0.532SS*.Hα-helixtrans-67.3-47.4177.2-162.1145.6-15.100111.3R742 E743 N744 K748 F749 D750R742-Q746 PolarHBondContact O-N 2.98Å; E743-Q746 WeakPolarHBondContact O-CB 3.28Å; E743-Q746 PolarHBondContact O-N 2.78Å; E743-Q746 VanDerWaalsContact O-N 3.15Å; N744-Q746 VanDerWaalsContact C-N 3.31Å; N744-Q746 PolarHBondContact O-N 3.33Å; Q746-K748 VanDerWaalsContact C-N 3.27Å; Q746-K748 PolarHBondContact O-N 3.05Å; Q746-F749 WeakPolarHBondContact O-CA 3.18Å; Q746-F749 WeakPolarHBondContact O-CB 3.43Å; Q746-F749 PolarHBondContact O-N 2.87Å; Q746-D750 PolarHBondContact O-N 2.93Å
747L81.6Confident81.9Confident102 Ų102110.3 Ų110.353%0.53453%0.526SS..Hα-helixtrans-56.7-38.9173-74.4166.1000112.6E743 N744 F749 D750 I751E743-L747 WeakPolarHBondContact O-CG 3.2Å; E743-L747 PolarHBondContact O-N 3.18Å; N744-L747 PolarHBondContact O-N 2.8Å; L747-F749 VanDerWaalsContact C-N 3.33Å; L747-F749 PolarHBondContact O-N 3.11Å; L747-D750 PolarHBondContact O-N 3.22Å; L747-I751 WeakPolarHBondContact O-CB 3.45Å; L747-I751 VanDerWaalsContact O-CG1 3.25Å; L747-I751 WeakPolarHBondContact O-CG1 3.4Å; L747-I751 PolarHBondContact O-N 3.16Å
748K76.3Confident81.7Confident128 Ų128111.2 Ų111.256%0.55753%0.531SS*.Hα-helixtrans-65-33.6174.4-81.2-176.5-179.4-1770113.4N744 R745 Q746 R752N744-K748 WeakPolarHBondContact O-CB 3.29Å; N744-K748 WeakPolarHBondContact O-CG 3.2Å; N744-K748 PolarHBondContact O-N 3.46Å; R745-K748 PolarHBondContact O-N 3.33Å; Q746-K748 VanDerWaalsContact C-N 3.27Å; Q746-K748 PolarHBondContact O-N 3.05Å; K748-R752 WeakPolarHBondContact O-CG 3.42Å; K748-R752 PolarHBondContact O-N 3.43Å
749F80.3Confident81.6Confident133 Ų133114.5 Ų114.558%0.58354%0.538SS*.Hα-helixtrans-70.1-41.8173.4-81-69000110.9R745 Q746 L747 R752 G753R745-F749 HydrophobicContact CG-CD2 4.44Å; R745-F749 HydrophobicContact CG-CE2 4.07Å; R745-F749 WeakPolarHBondContact O-CD2 3.46Å; R745-F749 PolarHBondContact O-N 3.17Å; Q746-F749 WeakPolarHBondContact O-CA 3.18Å; Q746-F749 WeakPolarHBondContact O-CB 3.43Å; Q746-F749 PolarHBondContact O-N 2.87Å; L747-F749 VanDerWaalsContact C-N 3.33Å; L747-F749 PolarHBondContact O-N 3.11Å; F749-R752 PolarHBondContact O-N 3.38Å; F749-G753 PolarHBondContact O-N 2.93Å
750D81.9Confident81.3Confident90 Ų90117.8 Ų117.848%0.48155%0.546SS..Hα-helixtrans-63.7-44177.8-62-26000111.4Q746 L747 R752 G753 I754Q746-D750 PolarHBondContact O-N 2.93Å; L747-D750 PolarHBondContact O-N 3.22Å; D750-R752 PolarHBondContact O-N 3.13Å; D750-G753 PolarHBondContact O-N 3.07Å; D750-G753 VanDerWaalsContact O-N 3.13Å; D750-I754 WeakPolarHBondContact O-CG1 3.28Å; D750-I754 PolarHBondContact O-N 3.04Å
751I81.3Confident81.1Confident89 Ų89118.7 Ų118.746%0.45655%0.547SS..Hα-helixtrans-59.1-46.4174.9-70.1165.3000111L747 G753 I754 E755L747-I751 WeakPolarHBondContact O-CB 3.45Å; L747-I751 VanDerWaalsContact O-CG1 3.25Å; L747-I751 WeakPolarHBondContact O-CG1 3.4Å; L747-I751 PolarHBondContact O-N 3.16Å; I751-G753 VanDerWaalsContact C-N 3.27Å; I751-G753 PolarHBondContact O-N 3.5Å; I751-I754 PolarHBondContact O-N 3.09Å; I751-I754 VanDerWaalsContact O-N 3.15Å; I751-E755 HydrophobicContact CG2-CG 4.32Å; I751-E755 WeakPolarHBondContact O-CG 3.29Å; I751-E755 PolarHBondContact O-N 3.19Å
752R78.9Confident81Confident163 Ų163116.2 Ų116.262%0.61555%0.545SS*.Hα-helixtrans-62.2-35.5176.4-78.8-178.2-176-176.40.8112.5K748 F749 D750 Q756K748-R752 WeakPolarHBondContact O-CG 3.42Å; K748-R752 PolarHBondContact O-N 3.43Å; F749-R752 PolarHBondContact O-N 3.38Å; D750-R752 PolarHBondContact O-N 3.13Å; R752-Q756 WeakPolarHBondContact O-CB 3.45Å; R752-Q756 VanDerWaalsContact O-CG 3.31Å; R752-Q756 WeakPolarHBondContact O-CG 3.38Å; R752-Q756 PolarHBondContact O-N 3.27Å
753G83.1Confident80.7Confident38 Ų38114.6 Ų114.639%0.39254%0.544SS..Hα-helixtrans-64.1-42.817400000112F749 D750 I751 Q756 S757F749-G753 PolarHBondContact O-N 2.93Å; D750-G753 PolarHBondContact O-N 3.07Å; D750-G753 VanDerWaalsContact O-N 3.13Å; I751-G753 VanDerWaalsContact C-N 3.27Å; I751-G753 PolarHBondContact O-N 3.5Å; G753-Q756 PolarHBondContact O-N 2.77Å; G753-S757 PolarHBondContact O-N 2.65Å
754I83.8Confident80.6Confident118 Ų118115 Ų11561%0.60555%0.546SS*.Hα-helixtrans-66.6-44.4176.5-65.2165.8000110.9D750 I751 Q756 S757 L758D750-I754 WeakPolarHBondContact O-CG1 3.28Å; D750-I754 PolarHBondContact O-N 3.04Å; I751-I754 PolarHBondContact O-N 3.09Å; I751-I754 VanDerWaalsContact O-N 3.15Å; I754-Q756 PolarHBondContact O-N 2.92Å; I754-S757 WeakPolarHBondContact O-CB 3.25Å; I754-S757 PolarHBondContact O-N 3.03Å; I754-S757 VanDerWaalsContact O-N 3.15Å; I754-L758 WeakPolarHBondContact O-CB 3.36Å; I754-L758 PolarHBondContact O-N 2.62Å
755E78.4Confident80.6Confident110 Ų110117.4 Ų117.451%0.51455%0.553SS.*Hα-helixtrans-58.4-45.5175.5-76176.2164.100111.4I751 S757 L758 E759I751-E755 HydrophobicContact CG2-CG 4.32Å; I751-E755 WeakPolarHBondContact O-CG 3.29Å; I751-E755 PolarHBondContact O-N 3.19Å; E755-S757 VanDerWaalsContact C-N 3.31Å; E755-S757 PolarHBondContact O-N 2.75Å; E755-L758 PolarHBondContact O-N 3.45Å; E755-E759 WeakPolarHBondContact O-CB 3.49Å; E755-E759 WeakPolarHBondContact O-CG 3.47Å; E755-E759 PolarHBondContact O-N 2.95Å
756Q79Confident80.5Confident106 Ų106112 Ų11250%0.49554%0.542SS..Hα-helixtrans-64.1-35.5175.8-75.5-179.6-100112.8R752 G753 I754 R760R752-Q756 WeakPolarHBondContact O-CB 3.45Å; R752-Q756 VanDerWaalsContact O-CG 3.31Å; R752-Q756 WeakPolarHBondContact O-CG 3.38Å; R752-Q756 PolarHBondContact O-N 3.27Å; G753-Q756 PolarHBondContact O-N 2.77Å; I754-Q756 PolarHBondContact O-N 2.92Å; Q756-R760 VanDerWaalsContact O-CG 3.31Å; Q756-R760 WeakPolarHBondContact O-CG 3.43Å; Q756-R760 PolarHBondContact O-N 3.26Å; Q756-R760 VanDerWaalsContact O-N 3.13Å
757S82.4Confident80.6Confident63 Ų63114 Ų11444%0.44154%0.544SS..Hα-helixtrans-67-44174.9-168.50000111.3G753 I754 E755 R760 Q761G753-S757 PolarHBondContact O-N 2.65Å; I754-S757 WeakPolarHBondContact O-CB 3.25Å; I754-S757 PolarHBondContact O-N 3.03Å; I754-S757 VanDerWaalsContact O-N 3.15Å; E755-S757 VanDerWaalsContact C-N 3.31Å; E755-S757 PolarHBondContact O-N 2.75Å; S757-R760 PolarHBondContact O-N 3.49Å; S757-Q761 PolarHBondContact O-N 3.37Å
758L79.4Confident80.7Confident110 Ų110113.5 Ų113.558%0.57654%0.539SS*.Hα-helixtrans-65.9-41.2177.9-171.368.3000111.7I754 E755 R760 Q761 M762I754-L758 WeakPolarHBondContact O-CB 3.36Å; I754-L758 PolarHBondContact O-N 2.62Å; E755-L758 PolarHBondContact O-N 3.45Å; L758-R760 VanDerWaalsContact C-N 3.35Å; L758-R760 PolarHBondContact O-N 3.13Å; L758-Q761 PolarHBondContact O-N 3.41Å; L758-M762 WeakPolarHBondContact O-CB 3.19Å; L758-M762 PolarHBondContact O-N 3.23Å
759E78.1Confident80.9Confident116 Ų116112.8 Ų112.854%0.54254%0.541SS..Hα-helixtrans-61.5-41.6174.3-80.7-176.2163.700112E755 M762 Q763E755-E759 WeakPolarHBondContact O-CB 3.49Å; E755-E759 WeakPolarHBondContact O-CG 3.47Å; E755-E759 PolarHBondContact O-N 2.95Å; E759-M762 PolarHBondContact O-N 2.88Å; E759-Q763 WeakPolarHBondContact O-CB 3.4Å; E759-Q763 WeakPolarHBondContact O-CG 3.31Å; E759-Q763 PolarHBondContact O-N 3.47Å
760R82.3Confident80.9Confident170 Ų170109.3 Ų109.364%0.64254%0.537SS*.Hα-helixtrans-63.7-43.2174.6-74.5176.5-170.8154.95.7111.6Q756 S757 L758 M762 Q763 E764Q756-R760 VanDerWaalsContact O-CG 3.31Å; Q756-R760 WeakPolarHBondContact O-CG 3.43Å; Q756-R760 PolarHBondContact O-N 3.26Å; Q756-R760 VanDerWaalsContact O-N 3.13Å; S757-R760 PolarHBondContact O-N 3.49Å; L758-R760 VanDerWaalsContact C-N 3.35Å; L758-R760 PolarHBondContact O-N 3.13Å; R760-M762 VanDerWaalsContact C-N 3.34Å; R760-Q763 PolarHBondContact O-N 2.86Å; R760-E764 WeakPolarHBondContact O-CB 3.29Å; R760-E764 PolarHBondContact O-N 3.38Å
761Q81.9Confident81.3Confident126 Ų126110.1 Ų110.159%0.58954%0.538SS*.Hα-helixtrans-64.1-39.5175.2-77.3-171.3-42.700112.1S757 L758 E764 K765S757-Q761 PolarHBondContact O-N 3.37Å; L758-Q761 PolarHBondContact O-N 3.41Å; Q761-E764 PolarHBondContact O-N 2.93Å; Q761-K765 WeakPolarHBondContact O-CB 3.47Å; Q761-K765 VanDerWaalsContact O-CG 3.31Å; Q761-K765 WeakPolarHBondContact O-CG 3.49Å; Q761-K765 PolarHBondContact O-N 3.45Å
762M73.2Confident81.4Confident128 Ų128108.2 Ų108.263%0.63154%0.535SS*.Hα-helixtrans-67.4-38.9177.4-170.5178.170.500111.9L758 E759 R760 K765 S766L758-M762 WeakPolarHBondContact O-CB 3.19Å; L758-M762 PolarHBondContact O-N 3.23Å; E759-M762 PolarHBondContact O-N 2.88Å; R760-M762 VanDerWaalsContact C-N 3.34Å; M762-K765 PolarHBondContact O-N 3.46Å; M762-S766 WeakPolarHBondContact O-CB 3.4Å; M762-S766 PolarHBondContact O-N 2.98Å; M762-S766 PolarHBondContact O-OG 3.32Å
763Q79.9Confident81.4Confident131 Ų131105.3 Ų105.361%0.61253%0.531SS*.Hα-helixtrans-65.9-40173-79.3-177.9-16.400112.4E759 R760 S766 R767E759-Q763 WeakPolarHBondContact O-CB 3.4Å; E759-Q763 WeakPolarHBondContact O-CG 3.31Å; E759-Q763 PolarHBondContact O-N 3.47Å; R760-Q763 PolarHBondContact O-N 2.86Å; Q763-S766 WeakPolarHBondContact CA-OG 3.41Å; Q763-S766 PolarHBondContact O-N 3.35Å; Q763-S766 PolarHBondContact O-OG 2.93Å; Q763-R767 WeakPolarHBondContact O-CB 3.38Å; Q763-R767 PolarHBondContact O-N 3.02Å
764E85.5Confident81.6Confident100 Ų100109.9 Ų109.947%0.46754%0.54SS..Hα-helixtrans-66.3-42.5176.6-16960-155.200111.1R760 Q761 R767 Q768R760-E764 WeakPolarHBondContact O-CB 3.29Å; R760-E764 PolarHBondContact O-N 3.38Å; Q761-E764 PolarHBondContact O-N 2.93Å; E764-R767 PolarHBondContact O-N 2.93Å; E764-Q768 WeakPolarHBondContact O-CG 3.27Å; E764-Q768 PolarHBondContact O-N 2.62Å
765K83Confident81.6Confident135 Ų135111.8 Ų111.859%0.58754%0.54SS*.Hα-helixtrans-66.8-38.8176.7-73.4-72.1169.4-161.80112.8Q761 M762 R767 Q768 L769Q761-K765 WeakPolarHBondContact O-CB 3.47Å; Q761-K765 VanDerWaalsContact O-CG 3.31Å; Q761-K765 WeakPolarHBondContact O-CG 3.49Å; Q761-K765 PolarHBondContact O-N 3.45Å; M762-K765 PolarHBondContact O-N 3.46Å; K765-R767 VanDerWaalsContact C-N 3.32Å; K765-Q768 PolarHBondContact O-N 3.12Å; K765-L769 WeakPolarHBondContact O-CB 3.38Å; K765-L769 PolarHBondContact O-N 3.38Å
766S74.8Confident81.6Confident66 Ų66111.8 Ų111.846%0.46254%0.543SS..Hα-helixtrans-68.1-34.1175.866.90000112M762 Q763 L769 A770M762-S766 WeakPolarHBondContact O-CB 3.4Å; M762-S766 PolarHBondContact O-N 2.98Å; M762-S766 PolarHBondContact O-OG 3.32Å; Q763-S766 WeakPolarHBondContact CA-OG 3.41Å; Q763-S766 PolarHBondContact O-N 3.35Å; Q763-S766 PolarHBondContact O-OG 2.93Å; S766-L769 PolarHBondContact O-N 3.02Å; S766-A770 WeakPolarHBondContact O-CB 3.49Å; S766-A770 PolarHBondContact O-N 2.67Å
767R86.9Confident81.7Confident171 Ų171112.6 Ų112.665%0.64555%0.547SS*.Hα-helixtrans-64.8-45.2171.6-169.2178.1-178.8165.20.8112Q763 E764 K765 L769 A770 E771Q763-R767 WeakPolarHBondContact O-CB 3.38Å; Q763-R767 PolarHBondContact O-N 3.02Å; E764-R767 PolarHBondContact O-N 2.93Å; K765-R767 VanDerWaalsContact C-N 3.32Å; R767-L769 VanDerWaalsContact C-N 3.31Å; R767-L769 PolarHBondContact O-N 3.19Å; R767-A770 PolarHBondContact O-N 2.85Å; R767-E771 PolarHBondContact O-N 3.14Å
768Q84.8Confident81.7Confident93 Ų93114.7 Ų114.744%0.43555%0.549SS..Hα-helixtrans-59.4-41.6174.4-72.8176.6-1.800111.9E764 K765 E771 A772E764-Q768 WeakPolarHBondContact O-CG 3.27Å; E764-Q768 PolarHBondContact O-N 2.62Å; K765-Q768 PolarHBondContact O-N 3.12Å; Q768-E771 PolarHBondContact O-N 3.45Å; Q768-A772 PolarHBondContact O-N 3.47Å
769L80.9Confident81.8Confident113 Ų113115 Ų11559%0.59255%0.551SS**Hα-helixtrans-64.7-44.1176.8-171.875.9000112K765 S766 R767 E771 A772 L773K765-L769 WeakPolarHBondContact O-CB 3.38Å; K765-L769 PolarHBondContact O-N 3.38Å; S766-L769 PolarHBondContact O-N 3.02Å; R767-L769 VanDerWaalsContact C-N 3.31Å; R767-L769 PolarHBondContact O-N 3.19Å; L769-E771 VanDerWaalsContact C-N 3.29Å; L769-E771 PolarHBondContact O-N 2.69Å; L769-A772 PolarHBondContact O-N 2.89Å; L769-L773 WeakPolarHBondContact O-CG 3.26Å; L769-L773 PolarHBondContact O-N 2.93Å
770A80.3Confident81.5Confident60 Ų60111.7 Ų111.750%0.49654%0.544SS..Hα-helixtrans-62.6-37.9178.300000112S766 R767 L773 K774S766-A770 WeakPolarHBondContact O-CB 3.49Å; S766-A770 PolarHBondContact O-N 2.67Å; R767-A770 PolarHBondContact O-N 2.85Å; A770-L773 PolarHBondContact O-N 3.35Å; A770-K774 PolarHBondContact O-N 3.47Å
771E89.3Confident81.3Confident107 Ų107107.6 Ų107.650%0.553%0.534SS..Hα-helixtrans-70.9-37.3177.2-166.1158.4179.300112.3R767 Q768 L769 K774 R775R767-E771 PolarHBondContact O-N 3.14Å; Q768-E771 PolarHBondContact O-N 3.45Å; L769-E771 VanDerWaalsContact C-N 3.29Å; L769-E771 PolarHBondContact O-N 2.69Å; E771-K774 PolarHBondContact O-N 3.32Å; E771-R775 PolarHBondContact O-N 3.43Å; E771-R775 VanDerWaalsContact O-N 3.09Å
772A83.3Confident81.1Confident49 Ų49103.7 Ų103.741%0.40552%0.524SS..Hα-helixtrans-63.7-43.5172.400000112.2Q768 L769 K774 R775 L776Q768-A772 PolarHBondContact O-N 3.47Å; L769-A772 PolarHBondContact O-N 2.89Å; A772-K774 VanDerWaalsContact C-N 3.32Å; A772-K774 PolarHBondContact O-N 3.3Å; A772-R775 PolarHBondContact O-N 2.82Å; A772-L776 PolarHBondContact O-N 2.93Å
773L79.9Confident81.1Confident102 Ų102100.5 Ų100.553%0.53451%0.514SS..Hα-helixtrans-62-39.8175.4-75.5173.7000111.9L769 A770 R775 L776 Q777L769-L773 WeakPolarHBondContact O-CG 3.26Å; L769-L773 PolarHBondContact O-N 2.93Å; A770-L773 PolarHBondContact O-N 3.35Å; L773-R775 PolarHBondContact O-N 2.84Å; L773-L776 PolarHBondContact O-N 3.17Å; L773-Q777 PolarHBondContact O-N 3.22Å
774K86.2Confident80.8Confident133 Ų13399.7 Ų99.758%0.57851%0.51SS*.Hα-helixtrans-62.4-42.7176-168-177.3176.1-167.10111.9A770 E771 A772 L776 Q777 E778A770-K774 PolarHBondContact O-N 3.47Å; E771-K774 PolarHBondContact O-N 3.32Å; A772-K774 VanDerWaalsContact C-N 3.32Å; A772-K774 PolarHBondContact O-N 3.3Å; K774-L776 VanDerWaalsContact C-N 3.35Å; K774-Q777 WeakPolarHBondContact O-CB 3.43Å; K774-Q777 PolarHBondContact O-N 3.13Å; K774-E778 WeakPolarHBondContact CE-OE1 3.23Å; K774-E778 WeakPolarHBondContact O-CG 3.42Å; K774-E778 PolarHBondContact O-N 2.78Å
775R84.4Confident80.3Confident159 Ų15998.5 Ų98.560%0.651%0.51SS*.Hα-helixtrans-64.9-38.1175.3-71.4-174.8-176.3-179.63.4112.5E771 A772 L773 Q777 E778 L779E771-R775 PolarHBondContact O-N 3.43Å; E771-R775 VanDerWaalsContact O-N 3.09Å; A772-R775 PolarHBondContact O-N 2.82Å; L773-R775 PolarHBondContact O-N 2.84Å; R775-Q777 VanDerWaalsContact C-N 3.33Å; R775-E778 PolarHBondContact O-N 3.18Å; R775-L779 VanDerWaalsContact O-CG 3.3Å; R775-L779 WeakPolarHBondContact O-CG 3.19Å; R775-L779 PolarHBondContact O-N 2.99Å
776L79Confident79.8Confident109 Ų10996.7 Ų96.757%0.57151%0.506SS*.Hα-helixtrans-64.7-39.2174.7-76171000111.7A772 L773 K774 L779 A780A772-L776 PolarHBondContact O-N 2.93Å; L773-L776 PolarHBondContact O-N 3.17Å; K774-L776 VanDerWaalsContact C-N 3.35Å; L776-L779 PolarHBondContact O-N 3.44Å; L776-A780 WeakPolarHBondContact O-CB 3.36Å; L776-A780 PolarHBondContact O-N 3.04Å
777Q79.6Confident79.3Confident124 Ų12495.8 Ų95.858%0.57950%0.496SS*.Hα-helixtrans-62.2-46.8174-163.297.715.900111L773 K774 R775 L779 A780 D781L773-Q777 PolarHBondContact O-N 3.22Å; K774-Q777 WeakPolarHBondContact O-CB 3.43Å; K774-Q777 PolarHBondContact O-N 3.13Å; R775-Q777 VanDerWaalsContact C-N 3.33Å; Q777-L779 VanDerWaalsContact C-N 3.29Å; Q777-L779 PolarHBondContact O-N 2.83Å; Q777-A780 WeakPolarHBondContact O-CB 3.31Å; Q777-A780 PolarHBondContact O-N 2.82Å; Q777-A780 VanDerWaalsContact O-N 3.12Å; Q777-D781 VanDerWaalsContact O-CG 3.27Å; Q777-D781 PolarHBondContact O-N 2.93Å
778E83.6Confident78.4Confident106 Ų10691.9 Ų91.950%0.49549%0.488SS..Hα-helixtrans-61-37.8177.3-72.6168.8-174.500112K774 R775 A782K774-E778 WeakPolarHBondContact CE-OE1 3.23Å; K774-E778 WeakPolarHBondContact O-CG 3.42Å; K774-E778 PolarHBondContact O-N 2.78Å; R775-E778 PolarHBondContact O-N 3.18Å; E778-A782 VanDerWaalsContact O-CB 3.27Å; E778-A782 WeakPolarHBondContact O-CB 3.35Å; E778-A782 PolarHBondContact O-N 3.41Å
779L80.7Confident77.8Confident117 Ų11794.6 Ų94.661%0.61350%0.501SS*.Hα-helixtrans-69.5-37.9174-72.3170.9000112.5R775 L776 Q777 A782 S783R775-L779 VanDerWaalsContact O-CG 3.3Å; R775-L779 WeakPolarHBondContact O-CG 3.19Å; R775-L779 PolarHBondContact O-N 2.99Å; L776-L779 PolarHBondContact O-N 3.44Å; Q777-L779 VanDerWaalsContact C-N 3.29Å; Q777-L779 PolarHBondContact O-N 2.83Å; L779-A782 PolarHBondContact O-N 3.47Å; L779-S783 WeakPolarHBondContact O-CB 3.23Å; L779-S783 PolarHBondContact O-N 2.95Å
780A72.8Confident77.3Confident47 Ų4793.2 Ų93.239%0.38849%0.494SS..Hα-helixtrans-65.5-46.9176.200000110.9L776 Q777 A782 S783 E784L776-A780 WeakPolarHBondContact O-CB 3.36Å; L776-A780 PolarHBondContact O-N 3.04Å; Q777-A780 WeakPolarHBondContact O-CB 3.31Å; Q777-A780 PolarHBondContact O-N 2.82Å; Q777-A780 VanDerWaalsContact O-N 3.12Å; A780-A782 VanDerWaalsContact C-N 3.32Å; A780-A782 PolarHBondContact O-N 2.92Å; A780-S783 WeakPolarHBondContact O-CB 3.49Å; A780-S783 PolarHBondContact O-N 3.34Å; A780-S783 VanDerWaalsContact O-N 3.07Å; A780-S783 PolarHBondContact O-OG 3.41Å; A780-E784 PolarHBondContact O-N 3.35Å
781D77.3Confident76.9Confident83 Ų8395.6 Ų95.644%0.44450%0.502SS..Hα-helixtrans-61.6-41.3176.6-65.3-15.4000110.8Q777 S783 E784 T785Q777-D781 VanDerWaalsContact O-CG 3.27Å; Q777-D781 PolarHBondContact O-N 2.93Å; D781-S783 VanDerWaalsContact C-N 3.34Å; D781-S783 PolarHBondContact O-N 3.23Å; D781-E784 PolarHBondContact O-N 2.89Å; D781-T785 WeakPolarHBondContact O-CG2 3.42Å; D781-T785 PolarHBondContact O-N 2.79Å; D781-T785 PolarHBondContact O-OG1 2.83Å
782A77.2Confident75.9Confident44 Ų4496.8 Ų96.836%0.36451%0.511SS..Hα-helixtrans-65.4-35173.800000112.8E778 L779 A780 T785 L786E778-A782 VanDerWaalsContact O-CB 3.27Å; E778-A782 WeakPolarHBondContact O-CB 3.35Å; E778-A782 PolarHBondContact O-N 3.41Å; L779-A782 PolarHBondContact O-N 3.47Å; A780-A782 VanDerWaalsContact C-N 3.32Å; A780-A782 PolarHBondContact O-N 2.92Å; A782-T785 WeakPolarHBondContact CA-OG1 3.41Å; A782-T785 PolarHBondContact O-OG1 2.95Å; A782-L786 WeakPolarHBondContact O-CB 3.44Å; A782-L786 VanDerWaalsContact O-CG 3.26Å; A782-L786 WeakPolarHBondContact O-CG 3.34Å; A782-L786 PolarHBondContact O-N 3.36Å; A782-L786 VanDerWaalsContact O-N 3.12Å
783S73.5Confident75.1Confident61 Ų6198.5 Ų98.543%0.42751%0.513SS..Hα-helixtrans-69.2-37174.779.40000111.6L779 A780 D781 L786 L787L779-S783 WeakPolarHBondContact O-CB 3.23Å; L779-S783 PolarHBondContact O-N 2.95Å; A780-S783 WeakPolarHBondContact O-CB 3.49Å; A780-S783 PolarHBondContact O-N 3.34Å; A780-S783 VanDerWaalsContact O-N 3.07Å; A780-S783 PolarHBondContact O-OG 3.41Å; D781-S783 VanDerWaalsContact C-N 3.34Å; D781-S783 PolarHBondContact O-N 3.23Å; S783-L786 PolarHBondContact O-N 3.1Å; S783-L787 WeakPolarHBondContact O-CB 3.25Å; S783-L787 PolarHBondContact O-N 3.24Å
784E73.5Confident74.4Confident115 Ų11597 Ų9754%0.53750%0.502SS..Hα-helixtrans-71.1-37.9179.7-168.2175.2-177.600111.5A780 D781 L787 N788A780-E784 PolarHBondContact O-N 3.35Å; D781-E784 PolarHBondContact O-N 2.89Å; E784-L787 PolarHBondContact O-N 3.01Å; E784-N788 WeakPolarHBondContact O-CB 3.27Å; E784-N788 VanDerWaalsContact O-CG 3.28Å; E784-N788 PolarHBondContact O-N 2.92Å; E784-N788 PolarHBondContact O-ND2 2.78Å
785T75.7Confident73.7Confident75 Ų7595 Ų9546%0.4650%0.501SS..Hα-helixtrans-64.2-44.8171.351.60000111.6D781 A782 L787 N788 E789D781-T785 WeakPolarHBondContact O-CG2 3.42Å; D781-T785 PolarHBondContact O-N 2.79Å; D781-T785 PolarHBondContact O-OG1 2.83Å; A782-T785 WeakPolarHBondContact CA-OG1 3.41Å; A782-T785 PolarHBondContact O-OG1 2.95Å; T785-L787 VanDerWaalsContact C-N 3.33Å; T785-L787 PolarHBondContact O-N 3.17Å; T785-N788 WeakPolarHBondContact O-CB 3.46Å; T785-N788 PolarHBondContact O-N 3.38Å; T785-N788 VanDerWaalsContact O-N 3.08Å; T785-E789 WeakPolarHBondContact O-CG 3.26Å; T785-E789 PolarHBondContact O-N 2.91Å
786L71.4Confident73.2Confident97 Ų9792.2 Ų92.251%0.50850%0.497SS..Hα-helixtrans-61.8-39.2175.4-74.4171.5000112.8A782 S783 N788 E789 N790A782-L786 WeakPolarHBondContact O-CB 3.44Å; A782-L786 VanDerWaalsContact O-CG 3.26Å; A782-L786 WeakPolarHBondContact O-CG 3.34Å; A782-L786 PolarHBondContact O-N 3.36Å; A782-L786 VanDerWaalsContact O-N 3.12Å; S783-L786 PolarHBondContact O-N 3.1Å; L786-N788 VanDerWaalsContact C-N 3.34Å; L786-E789 PolarHBondContact O-N 2.84Å; L786-N790 WeakPolarHBondContact O-CB 3.37Å; L786-N790 PolarHBondContact O-N 3.33Å
787L64.7Low72.7Confident47 Ų4790.9 Ų90.925%0.24649%0.49CS..Hα-helixtrans-63.8-38.6172.5-106.1156.5000111.7S783 E784 T785 L793 K794 L797S783-L787 WeakPolarHBondContact O-CB 3.25Å; S783-L787 PolarHBondContact O-N 3.24Å; E784-L787 PolarHBondContact O-N 3.01Å; T785-L787 VanDerWaalsContact C-N 3.33Å; T785-L787 PolarHBondContact O-N 3.17Å; L787-L793 HydrophobicContact CG-CD2 4.43Å; L787-K794 HydrophobicContact CD2-CB 4.33Å; L787-K794 HydrophobicContact CD2-CG 3.52Å; L787-K794 VanDerWaalsContact O-CD 3.32Å; L787-K794 WeakPolarHBondContact O-CD 3.23Å; L787-K794 WeakPolarHBondContact O-CE 3.41Å; L787-K794 WeakPolarHBondContact O-CG 3.28Å; L787-L797 HydrophobicContact CD1-CD1 3.98Å; L787-L797 HydrophobicContact CD2-CD1 3.63Å; L787-L797 HydrophobicContact CG-CD1 4.03Å
788N67.9Low72.4Confident89 Ų8993.2 Ų93.248%0.47649%0.494SS..Hα-helixtrans-68.8-36.4177.8-79-30.6000112.7E784 T785 L786 K794E784-N788 WeakPolarHBondContact O-CB 3.27Å; E784-N788 VanDerWaalsContact O-CG 3.28Å; E784-N788 PolarHBondContact O-N 2.92Å; E784-N788 PolarHBondContact O-ND2 2.78Å; T785-N788 WeakPolarHBondContact O-CB 3.46Å; T785-N788 PolarHBondContact O-N 3.38Å; T785-N788 VanDerWaalsContact O-N 3.08Å; L786-N788 VanDerWaalsContact C-N 3.34Å; N788-K794 VanDerWaalsContact OD1-CE 3.3Å; N788-K794 WeakPolarHBondContact OD1-CE 3.19Å; N788-K794 PolarHBondContact OD1-NZ 3.47Å
789E72.5Confident71.9Confident150 Ų15090.8 Ų90.870%0.70149%0.492SS*.Hα-helixtrans-78.4-32.1178.9-69.5179.317500112.9T785 L786T785-E789 WeakPolarHBondContact O-CG 3.26Å; T785-E789 PolarHBondContact O-N 2.91Å; L786-E789 PolarHBondContact O-N 2.84Å
790N70.8Confident71.7Confident83 Ų8389.7 Ų89.744%0.44449%0.486SS..  trans-10192.7179.5-84.2-78.3000113.1L786 L792 L793 K794L786-N790 WeakPolarHBondContact O-CB 3.37Å; L786-N790 PolarHBondContact O-N 3.33Å; N790-L792 PolarHBondContact O-N 3.36Å; N790-L793 HydrophobicContact CB-CB 3.81Å; N790-L793 WeakPolarHBondContact O-CB 3.48Å; N790-L793 PolarHBondContact O-N 3.28Å; N790-K794 PolarHBondContact O-N 3.04Å
791V71.6Confident71.8Confident110 Ų11094.9 Ų94.967%0.66750%0.495SS*.Hα-helixtrans-54.3-37.4174.4178.50000112.3L793 K794 V795V791-L793 PolarHBondContact O-N 2.81Å; V791-K794 PolarHBondContact O-N 3.44Å; V791-V795 WeakPolarHBondContact O-CG2 3.24Å; V791-V795 PolarHBondContact O-N 3.32Å
792L67.9Low71.8Confident132 Ų13295.8 Ų95.869%0.69150%0.5SS*.Hα-helixtrans-65.3-38.3178-165.478.3000112.3N790 V795 L796N790-L792 PolarHBondContact O-N 3.36Å; L792-V795 PolarHBondContact O-N 3.02Å; L792-L796 PolarHBondContact O-N 3.5Å; L792-L796 VanDerWaalsContact O-N 3.14Å
793L66.7Low71.6Confident86 Ų8699.7 Ų99.745%0.4551%0.511SS..Hα-helixtrans-69.7-37.4-179.6-141.593.2000111.4L787 N790 V791 V795 L796 L797L787-L793 HydrophobicContact CG-CD2 4.43Å; N790-L793 HydrophobicContact CB-CB 3.81Å; N790-L793 WeakPolarHBondContact O-CB 3.48Å; N790-L793 PolarHBondContact O-N 3.28Å; V791-L793 PolarHBondContact O-N 2.81Å; L793-V795 VanDerWaalsContact C-N 3.32Å; L793-V795 PolarHBondContact O-N 2.93Å; L793-L796 PolarHBondContact O-N 2.96Å; L793-L797 HydrophobicContact CD2-CD1 4.29Å; L793-L797 WeakPolarHBondContact O-CB 3.41Å; L793-L797 PolarHBondContact O-N 3.3Å
794K64.9Low71.6Confident71 Ų71100.8 Ų100.831%0.30952%0.515SS..Hα-helixtrans-59.8-39.7172.9-91.8176.3175.9174.50112.8L787 N788 N790 V791 R798L787-K794 HydrophobicContact CD2-CB 4.33Å; L787-K794 HydrophobicContact CD2-CG 3.52Å; L787-K794 VanDerWaalsContact O-CD 3.32Å; L787-K794 WeakPolarHBondContact O-CD 3.23Å; L787-K794 WeakPolarHBondContact O-CE 3.41Å; L787-K794 WeakPolarHBondContact O-CG 3.28Å; N788-K794 VanDerWaalsContact OD1-CE 3.3Å; N788-K794 WeakPolarHBondContact OD1-CE 3.19Å; N788-K794 PolarHBondContact OD1-NZ 3.47Å; N790-K794 PolarHBondContact O-N 3.04Å; V791-K794 PolarHBondContact O-N 3.44Å; K794-R798 WeakPolarHBondContact O-CG 3.34Å; K794-R798 PolarHBondContact O-N 3.42Å; K794-R798 VanDerWaalsContact O-N 3.13Å
795V72.1Confident71.6Confident90 Ų90100 Ų10055%0.54551%0.511SS..Hα-helixtrans-69.9-44.5178.9175.50000110.5V791 L792 L793 L797 R798 A799V791-V795 WeakPolarHBondContact O-CG2 3.24Å; V791-V795 PolarHBondContact O-N 3.32Å; L792-V795 PolarHBondContact O-N 3.02Å; L793-V795 VanDerWaalsContact C-N 3.32Å; L793-V795 PolarHBondContact O-N 2.93Å; V795-L797 PolarHBondContact O-N 3.42Å; V795-R798 PolarHBondContact O-N 2.87Å; V795-A799 PolarHBondContact O-N 3.14Å
796L72.8Confident71.5Confident100 Ų10099.1 Ų99.152%0.52451%0.512SS..Hα-helixtrans-61.7-43176.8-101.3155000112.8L792 L793 A799 L800L792-L796 PolarHBondContact O-N 3.5Å; L792-L796 VanDerWaalsContact O-N 3.14Å; L793-L796 PolarHBondContact O-N 2.96Å; L796-A799 PolarHBondContact O-N 3.18Å; L796-L800 WeakPolarHBondContact O-CG 3.24Å; L796-L800 PolarHBondContact O-N 3.04Å
797L69.8Low71.5Confident81 Ų81100.2 Ų100.242%0.42452%0.519SS..Hα-helixtrans-70-31.8178.5-84.6163000113.1L787 L793 V795 R801L787-L797 HydrophobicContact CD1-CD1 3.98Å; L787-L797 HydrophobicContact CD2-CD1 3.63Å; L787-L797 HydrophobicContact CG-CD1 4.03Å; L793-L797 HydrophobicContact CD2-CD1 4.29Å; L793-L797 WeakPolarHBondContact O-CB 3.41Å; L793-L797 PolarHBondContact O-N 3.3Å; V795-L797 PolarHBondContact O-N 3.42Å; L797-R801 VanDerWaalsContact O-CB 3.3Å; L797-R801 WeakPolarHBondContact O-CB 3.43Å; L797-R801 PolarHBondContact O-N 3.28Å
798R72Confident71.8Confident174 Ų174104.2 Ų104.266%0.65754%0.536SS*.Hα-helixtrans-65.4-45.6170-77.6178.9-176.2174.10.3111.3K794 V795 L800 R801 D802K794-R798 WeakPolarHBondContact O-CG 3.34Å; K794-R798 PolarHBondContact O-N 3.42Å; K794-R798 VanDerWaalsContact O-N 3.13Å; V795-R798 PolarHBondContact O-N 2.87Å; R798-L800 VanDerWaalsContact C-N 3.31Å; R798-L800 PolarHBondContact O-N 3.23Å; R798-R801 PolarHBondContact O-N 3.32Å; R798-R801 VanDerWaalsContact O-N 3.17Å; R798-D802 WeakPolarHBondContact O-CB 2.8Å; R798-D802 PolarHBondContact O-N 3Å
799A75.1Confident71.9Confident55 Ų55105.4 Ų105.446%0.45554%0.539SS..Hα-helixtrans-60.7-40177.900000112.7V795 L796 Q803V795-A799 PolarHBondContact O-N 3.14Å; L796-A799 PolarHBondContact O-N 3.18Å; A799-Q803 PolarHBondContact O-N 3.25Å; A799-Q803 VanDerWaalsContact O-N 3.13Å
800L74.7Confident71.9Confident93 Ų93100.6 Ų100.649%0.48753%0.525SS..Hα-helixtrans-69-38.9175.4-73.7169.5000112.4L796 R798 Q803 T804L796-L800 WeakPolarHBondContact O-CG 3.24Å; L796-L800 PolarHBondContact O-N 3.04Å; R798-L800 VanDerWaalsContact C-N 3.31Å; R798-L800 PolarHBondContact O-N 3.23Å; L800-Q803 WeakPolarHBondContact O-CB 3.45Å; L800-Q803 PolarHBondContact O-N 3Å; L800-T804 PolarHBondContact O-N 3.12Å; L800-T804 PolarHBondContact O-OG1 2.72Å; L800-T804 VanDerWaalsContact O-OG1 3.13Å
801R75.8Confident71.9Confident156 Ų156103.3 Ų103.359%0.58953%0.532SS*.Hα-helixtrans-63.9-45.1176.4-177.4174.4176.2169.30.2111.5L797 R798 Q803 T804 E805L797-R801 VanDerWaalsContact O-CB 3.3Å; L797-R801 WeakPolarHBondContact O-CB 3.43Å; L797-R801 PolarHBondContact O-N 3.28Å; R798-R801 PolarHBondContact O-N 3.32Å; R798-R801 VanDerWaalsContact O-N 3.17Å; R801-Q803 PolarHBondContact O-N 3.06Å; R801-T804 VanDerWaalsContact CA-OG1 3.31Å; R801-T804 WeakPolarHBondContact CA-OG1 3.4Å; R801-T804 PolarHBondContact O-N 3.4Å; R801-T804 VanDerWaalsContact O-N 3.13Å; R801-T804 PolarHBondContact O-OG1 3.4Å; R801-E805 HydrophobicContact CG-CG 4.4Å; R801-E805 IonicContact CZ-OE1 3.2Å; R801-E805 IonicContact NE-OE1 2.79Å; R801-E805 PolarHBondContact NE-OE1 2.91Å; R801-E805 IonicContact NH2-OE1 2.82Å; R801-E805 PolarHBondContact NH2-OE1 2.85Å; R801-E805 PolarHBondContact O-N 3.36Å
802D76.3Confident71.7Confident102 Ų102100.9 Ų100.955%0.54552%0.518SS..Hα-helixtrans-62.8-34.8177.7-63.4-17.2000110.9R798 A806R798-D802 WeakPolarHBondContact O-CB 2.8Å; R798-D802 PolarHBondContact O-N 3Å; D802-A806 VanDerWaalsContact O-CB 3.27Å; D802-A806 WeakPolarHBondContact O-CB 3.5Å; D802-A806 PolarHBondContact O-N 3.43Å
803Q74.3Confident71.8Confident127 Ų12798.9 Ų98.959%0.59351%0.508SS*.Hα-helixtrans-65.3-44.8171.1-95.5-175.2-26.700112.9A799 L800 R801 A806 D807A799-Q803 PolarHBondContact O-N 3.25Å; A799-Q803 VanDerWaalsContact O-N 3.13Å; L800-Q803 WeakPolarHBondContact O-CB 3.45Å; L800-Q803 PolarHBondContact O-N 3Å; R801-Q803 PolarHBondContact O-N 3.06Å; Q803-A806 PolarHBondContact O-N 3.27Å; Q803-D807 PolarHBondContact O-N 2.96Å
804T72.3Confident71.8Confident84 Ų84104.9 Ų104.952%0.51552%0.524SS..Hα-helixtrans-68.2-37.8178.441.30000113.1L800 R801 A806 D807 E808L800-T804 PolarHBondContact O-N 3.12Å; L800-T804 PolarHBondContact O-OG1 2.72Å; L800-T804 VanDerWaalsContact O-OG1 3.13Å; R801-T804 VanDerWaalsContact CA-OG1 3.31Å; R801-T804 WeakPolarHBondContact CA-OG1 3.4Å; R801-T804 PolarHBondContact O-N 3.4Å; R801-T804 VanDerWaalsContact O-N 3.13Å; R801-T804 PolarHBondContact O-OG1 3.4Å; T804-A806 VanDerWaalsContact C-N 3.33Å; T804-D807 PolarHBondContact O-N 2.76Å; T804-E808 WeakPolarHBondContact O-CG 3.1Å; T804-E808 PolarHBondContact O-N 3.43Å
805E75.1Confident71.7Confident97 Ų97108.5 Ų108.545%0.45354%0.542SS..Hα-helixtrans-68.5-35.2175.8-71.4-178.6-175.900110.7R801 Q809R801-E805 HydrophobicContact CG-CG 4.4Å; R801-E805 IonicContact CZ-OE1 3.2Å; R801-E805 IonicContact NE-OE1 2.79Å; R801-E805 PolarHBondContact NE-OE1 2.91Å; R801-E805 IonicContact NH2-OE1 2.82Å; R801-E805 PolarHBondContact NH2-OE1 2.85Å; R801-E805 PolarHBondContact O-N 3.36Å; E805-Q809 WeakPolarHBondContact O-CB 3.31Å; E805-Q809 PolarHBondContact O-N 3.13Å
806A72.6Confident71.2Confident58 Ų58110.1 Ų110.148%0.47954%0.544SS..Hα-helixtrans-66.3-39.9172.100000113.1D802 Q803 T804 Q809 A810D802-A806 VanDerWaalsContact O-CB 3.27Å; D802-A806 WeakPolarHBondContact O-CB 3.5Å; D802-A806 PolarHBondContact O-N 3.43Å; Q803-A806 PolarHBondContact O-N 3.27Å; T804-A806 VanDerWaalsContact C-N 3.33Å; A806-Q809 PolarHBondContact O-N 3.48Å; A806-A810 WeakPolarHBondContact O-CB 3.38Å; A806-A810 PolarHBondContact O-N 2.99Å
807D72.1Confident70.6Confident120 Ų120108.5 Ų108.564%0.64255%0.545SS*.Hα-helixtrans-69.3-36177-88.8-11.1000112.6Q803 T804 K811Q803-D807 PolarHBondContact O-N 2.96Å; T804-D807 PolarHBondContact O-N 2.76Å; D807-K811 PolarHBondContact O-N 3.44Å
808E71.6Confident70.2Confident131 Ų131107.1 Ų107.161%0.61255%0.55SS**Hα-helixtrans-66.9-43.7173-75.9-98.7134.800111T804 A810 K811 V812T804-E808 WeakPolarHBondContact O-CG 3.1Å; T804-E808 PolarHBondContact O-N 3.43Å; E808-A810 PolarHBondContact O-N 3.05Å; E808-K811 VanDerWaalsContact O-CB 3.28Å; E808-K811 WeakPolarHBondContact O-CB 3.45Å; E808-K811 PolarHBondContact O-N 3.02Å; E808-K811 VanDerWaalsContact O-N 3.1Å; E808-V812 WeakPolarHBondContact O-CG2 3.46Å; E808-V812 PolarHBondContact O-N 3.48Å
809Q69.6Low69.4Low114 Ų114105.8 Ų105.853%0.53355%0.552SS.*Hα-helixtrans-64.1-41.1178.2-159.368.233.200111.8E805 A806 K811 V812 D813E805-Q809 WeakPolarHBondContact O-CB 3.31Å; E805-Q809 PolarHBondContact O-N 3.13Å; A806-Q809 PolarHBondContact O-N 3.48Å; Q809-K811 PolarHBondContact O-N 2.91Å; Q809-V812 PolarHBondContact O-N 3.37Å; Q809-D813 VanDerWaalsContact O-CG 3.28Å; Q809-D813 PolarHBondContact O-N 2.96Å
810A71.9Confident68.5Low49 Ų49110.6 Ų110.641%0.40557%0.565SS.*Hα-helixtrans-64.9-24.1174.700000113.5A806 E808 R814A806-A810 WeakPolarHBondContact O-CB 3.38Å; A806-A810 PolarHBondContact O-N 2.99Å; E808-A810 PolarHBondContact O-N 3.05Å; A810-R814 WeakPolarHBondContact O-CG 3.44Å; A810-R814 PolarHBondContact O-N 2.98Å
811K69.9Low67.6Low139 Ų139112 Ų11260%0.60457%0.573SS**Hα-helixtrans-75.3-43.4172.9-113.5178.6179.4178.30111.7D807 E808 Q809 R814 E815D807-K811 PolarHBondContact O-N 3.44Å; E808-K811 VanDerWaalsContact O-CB 3.28Å; E808-K811 WeakPolarHBondContact O-CB 3.45Å; E808-K811 PolarHBondContact O-N 3.02Å; E808-K811 VanDerWaalsContact O-N 3.1Å; Q809-K811 PolarHBondContact O-N 2.91Å; K811-R814 PolarHBondContact O-N 3.23Å; K811-E815 PolarHBondContact O-N 3.13Å; K811-E815 VanDerWaalsContact O-N 3.1Å
812V68.6Low66.7Low60 Ų60106.7 Ų106.736%0.36457%0.566SS.*Hα-helixtrans-63.5-43.9176.9176.30000110.6E808 Q809 R814 E815 E816E808-V812 WeakPolarHBondContact O-CG2 3.46Å; E808-V812 PolarHBondContact O-N 3.48Å; Q809-V812 PolarHBondContact O-N 3.37Å; V812-R814 PolarHBondContact O-N 3.05Å; V812-E815 PolarHBondContact O-N 3.42Å; V812-E816 PolarHBondContact O-N 3.45Å
813D68.9Low65.7Low90 Ų90112.3 Ų112.348%0.48158%0.58SS.*Hα-helixtrans-63.8-30.2178.1-65.2-15.4000112.4Q809 A817Q809-D813 VanDerWaalsContact O-CG 3.28Å; Q809-D813 PolarHBondContact O-N 2.96Å; D813-A817 WeakPolarHBondContact O-CB 3.49Å; D813-A817 PolarHBondContact O-N 2.91Å
814R67Low64.7Low211 Ų211117.3 Ų117.380%0.79659%0.593SS**Hα-helixtrans-74.2-31.9173.1-82-178.3-176.7174.24.5113.2A810 K811 V812 G818A810-R814 WeakPolarHBondContact O-CG 3.44Å; A810-R814 PolarHBondContact O-N 2.98Å; K811-R814 PolarHBondContact O-N 3.23Å; V812-R814 PolarHBondContact O-N 3.05Å; R814-G818 PolarHBondContact O-N 3.45Å
815E62.4Low63.9Low147 Ų147117.5 Ų117.569%0.68760%0.604SS**Hα-helixtrans-73.5-37.5175.5-74.4-175.4169.900111.5K811 V812 G818 Q819K811-E815 PolarHBondContact O-N 3.13Å; K811-E815 VanDerWaalsContact O-N 3.1Å; V812-E815 PolarHBondContact O-N 3.42Å; E815-G818 PolarHBondContact O-N 3.03Å; E815-Q819 PolarHBondContact O-N 3.24Å
816E61.5Low62.6Low124 Ų124121 Ų12158%0.57964%0.639SS**Hα-helixtrans-68.5-39.7176-71.3-167.3161.900112.7V812 G818 Q819 E820V812-E816 PolarHBondContact O-N 3.45Å; E816-G818 VanDerWaalsContact C-N 3.28Å; E816-G818 PolarHBondContact O-N 3.31Å; E816-Q819 PolarHBondContact O-N 3.5Å; E816-Q819 VanDerWaalsContact O-N 3.09Å; E816-E820 PolarHBondContact O-N 2.93Å
817A60.9Low62.1Low66 Ų66124.2 Ų124.255%0.54565%0.647SS.*Hα-helixtrans-64-31175.400000113.1D813 Q819D813-A817 WeakPolarHBondContact O-CB 3.49Å; D813-A817 PolarHBondContact O-N 2.91Å; A817-Q819 VanDerWaalsContact C-N 3.3Å; A817-Q819 PolarHBondContact O-N 3.41Å
818G60.9Low61.6Low52 Ų52124.4 Ų124.454%0.53665%0.647SS.*Hα-helixtrans-72.4-20.9174.200000113.9R814 E815 E816R814-G818 PolarHBondContact O-N 3.45Å; E815-G818 PolarHBondContact O-N 3.03Å; E816-G818 VanDerWaalsContact C-N 3.28Å; E816-G818 PolarHBondContact O-N 3.31Å
819Q55.8Low61Low147 Ų147124 Ų12469%0.68765%0.649SS**Hα-helixtrans-89.5-24.2-176.6-125.8165.81.500113.4E815 E816 A817E815-Q819 PolarHBondContact O-N 3.24Å; E816-Q819 PolarHBondContact O-N 3.5Å; E816-Q819 VanDerWaalsContact O-N 3.09Å; A817-Q819 VanDerWaalsContact C-N 3.3Å; A817-Q819 PolarHBondContact O-N 3.41Å
820E55.5Low60.5Low155 Ų155124.6 Ų124.672%0.72466%0.656SS**Hα-helixtrans-74.6-34.1171.5-79.7-164.4142.800113.2E816 G822 R823E816-E820 PolarHBondContact O-N 2.93Å; E820-G822 VanDerWaalsContact C-N 3.34Å; E820-G822 PolarHBondContact O-N 3.22Å; E820-R823 PolarHBondContact O-N 3.27Å
821D55.8Low59.8Low124 Ų124129.3 Ų129.366%0.66367%0.671SS**Hα-helixtrans-71.7-29.9179.4-132.59000112R823D821-R823 PolarHBondContact O-N 3.29Å
822G56.8Low59.1Low43 Ų43128.7 Ų128.744%0.44368%0.676SS.*Hα-helixtrans-70-26.2172.400000114.5E820 S826E820-G822 VanDerWaalsContact C-N 3.34Å; E820-G822 PolarHBondContact O-N 3.22Å; G822-S826 PolarHBondContact O-OG 3.4Å
823R55.3Low58.4Low221 Ų221133.6 Ų133.683%0.83470%0.698SS**Hα-helixtrans-81.9-13.5178.6-93.5180175162.50.8114.3E820 D821E820-R823 PolarHBondContact O-N 3.27Å; D821-R823 PolarHBondContact O-N 3.29Å
824R54Low57.6Low231 Ų231136.9 Ų136.987%0.87272%0.715SS**THydrogen-bonded Turntrans-89.7-7.9173-81.1-177.9176173.41.7114.1
825A55.9Low56.9Low89 Ų89130.8 Ų130.874%0.73671%0.708SS**  trans-114.121-178.300000114.3
826S47.5Very low56.3Low170 Ų170129.3 Ų129.3100%1.18971%0.71SS**  trans-118.30174.8-53.60000112.1G822G822-S826 PolarHBondContact O-OG 3.4Å

Retrieved 826 of 826 residues in 190.7 ms (Link to these results)

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