A0A093HP83_STRCA Loading...

[heparan sulfate]-glucosamine N-sulfotransferase

AlphaFold DB , UniProt , Accession A0A093HP83, Species STRCA (Struthio camelus australis), Gene n/a, Length 873 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
1M55.4Low62.1Low225 Ų225144.6 Ų144.6100%1.10869%0.686SS**  027.40-147.9173.2171.100114
2S59.4Low62.9Low86 Ų86141.5 Ų141.560%0.60167%0.67SS**  trans-118.9-22.4-174.8-178.40000114.5
3F54.3Low64Low179 Ų179144.3 Ų144.379%0.78567%0.67SS**Hα-helixtrans-83.9-39.4-177.8-143-98.2000113.3M5 K6 L7F3-M5 PolarHBondContact O-N 2.65Å; F3-K6 PolarHBondContact O-N 3.49Å; F3-L7 PolarHBondContact O-N 3.26Å; F3-L7 VanDerWaalsContact O-N 3.09Å
4I61.1Low64.9Low145 Ų145139.7 Ų139.774%0.74466%0.657SS**Hα-helixtrans-67.3-37.5-178.8-65.5171.2000111.7L7 H8I4-L7 PolarHBondContact O-N 3.2Å; I4-H8 WeakPolarHBondContact O-CB 3.38Å; I4-H8 PolarHBondContact O-N 2.87Å
5M56.4Low66.1Low133 Ų133135.4 Ų135.466%0.65564%0.644SS**Hα-helixtrans-68.8-33.9176.1-78.2176.168.700113.1F3 R9F3-M5 PolarHBondContact O-N 2.65Å; M5-R9 PolarHBondContact O-N 3.02Å; M5-R9 VanDerWaalsContact O-N 3.16Å
6K56.7Low67.1Low137 Ų137133.7 Ų133.760%0.59664%0.638SS**Hα-helixtrans-69.8-42.2175-84.6-176.9175-179.30111.5F3 H8 R9 H10F3-K6 PolarHBondContact O-N 3.49Å; K6-H8 VanDerWaalsContact C-N 3.33Å; K6-H8 PolarHBondContact O-N 2.65Å; K6-R9 PolarHBondContact O-N 3.04Å; K6-H10 PolarHBondContact O-CD2 2.74Å; K6-H10 PolarHBondContact O-N 2.87Å
7L62.7Low68Low121 Ų121131.9 Ų131.963%0.63463%0.632SS**Hα-helixtrans-63.2-40.3177.2-161.674.8000111.6F3 I4 H10 F11F3-L7 PolarHBondContact O-N 3.26Å; F3-L7 VanDerWaalsContact O-N 3.09Å; I4-L7 PolarHBondContact O-N 3.2Å; L7-H10 PolarHBondContact O-N 3.09Å; L7-F11 WeakPolarHBondContact O-CB 3.33Å; L7-F11 PolarHBondContact O-N 2.78Å
8H66.1Low68.7Low118 Ų118130.6 Ų130.655%0.54663%0.629SS.*Hα-helixtrans-66.8-38.7178.2-147.262.2000112.7I4 K6 F11 Q12I4-H8 WeakPolarHBondContact O-CB 3.38Å; I4-H8 PolarHBondContact O-N 2.87Å; K6-H8 VanDerWaalsContact C-N 3.33Å; K6-H8 PolarHBondContact O-N 2.65Å; H8-F11 PolarHBondContact O-N 3Å; H8-Q12 WeakPolarHBondContact O-CB 3.17Å; H8-Q12 PolarHBondContact O-N 3.24Å
9R65.8Low69.4Low191 Ų191126.5 Ų126.572%0.72162%0.619SS**Hα-helixtrans-67.1-38.4173.9-101.3-177.4175.6-179.1-0.4113.2M5 K6 R13M5-R9 PolarHBondContact O-N 3.02Å; M5-R9 VanDerWaalsContact O-N 3.16Å; K6-R9 PolarHBondContact O-N 3.04Å; R9-R13 WeakPolarHBondContact O-CB 3.2Å; R9-R13 WeakPolarHBondContact O-CG 3.38Å; R9-R13 PolarHBondContact O-N 2.93Å
10H69.8Low70.1Confident117 Ų117123.4 Ų123.454%0.54261%0.608SS.*Hα-helixtrans-68.4-42.9175.5-82.1-69.2000111.3K6 L7 R13 T14K6-H10 PolarHBondContact O-CD2 2.74Å; K6-H10 PolarHBondContact O-N 2.87Å; L7-H10 PolarHBondContact O-N 3.09Å; H10-R13 PolarHBondContact O-N 3.35Å; H10-T14 PolarHBondContact O-N 3.28Å; H10-T14 PolarHBondContact O-OG1 3.42Å
11F75.4Confident70.8Confident139 Ų139124.8 Ų124.861%0.6161%0.61SS**Hα-helixtrans-61.7-45.5175.7-171.8-102.3000112.1L7 H8 R13 T14 V15L7-F11 WeakPolarHBondContact O-CB 3.33Å; L7-F11 PolarHBondContact O-N 2.78Å; H8-F11 PolarHBondContact O-N 3Å; F11-R13 PolarHBondContact O-N 3.12Å; F11-T14 PolarHBondContact O-N 2.67Å; F11-V15 HydrophobicContact CD1-CG2 4.15Å; F11-V15 HydrophobicContact CE1-CG2 3.85Å; F11-V15 HydrophobicContact CE2-CG2 4.47Å; F11-V15 HydrophobicContact CZ-CG2 4.02Å; F11-V15 VanDerWaalsContact O-CG2 3.3Å; F11-V15 WeakPolarHBondContact O-CG2 3.4Å; F11-V15 PolarHBondContact O-N 2.98Å
12Q71.6Confident72Confident107 Ų107117.2 Ų117.250%0.558%0.579SS.*Hα-helixtrans-60.4-42.2174.5-83.9-177.6-26.100112.7H8 V15 I16H8-Q12 WeakPolarHBondContact O-CB 3.17Å; H8-Q12 PolarHBondContact O-N 3.24Å; Q12-V15 PolarHBondContact O-N 3.48Å; Q12-I16 WeakPolarHBondContact O-CB 3.41Å; Q12-I16 WeakPolarHBondContact O-CD1 3.5Å; Q12-I16 WeakPolarHBondContact O-CG1 3.5Å; Q12-I16 PolarHBondContact O-N 3.43Å
13R76.9Confident73.1Confident178 Ų178117 Ų11767%0.67258%0.575SS**Hα-helixtrans-63.3-41.1176.1-84.3-179164-174-5.6112.3R9 H10 F11 I16 L17R9-R13 WeakPolarHBondContact O-CB 3.2Å; R9-R13 WeakPolarHBondContact O-CG 3.38Å; R9-R13 PolarHBondContact O-N 2.93Å; H10-R13 PolarHBondContact O-N 3.35Å; F11-R13 PolarHBondContact O-N 3.12Å; R13-I16 PolarHBondContact O-N 3.32Å; R13-L17 WeakPolarHBondContact O-CB 3.1Å; R13-L17 PolarHBondContact O-N 3.45Å
14T77.6Confident74.6Confident80 Ų80112.4 Ų112.449%0.49156%0.561SS.*Hα-helixtrans-67.2-40.6178-51.60000111.4H10 F11 L17 L18H10-T14 PolarHBondContact O-N 3.28Å; H10-T14 PolarHBondContact O-OG1 3.42Å; F11-T14 PolarHBondContact O-N 2.67Å; T14-L17 PolarHBondContact O-N 3.01Å; T14-L18 HydrophobicContact CG2-CD1 4.36Å; T14-L18 WeakPolarHBondContact O-CB 3.19Å; T14-L18 PolarHBondContact O-N 3.04Å
15V81.6Confident75.6Confident75 Ų75108.8 Ų108.846%0.45555%0.548SS..Hα-helixtrans-64.7-41.2175.9171.90000111.4F11 Q12 L18 A19F11-V15 HydrophobicContact CD1-CG2 4.15Å; F11-V15 HydrophobicContact CE1-CG2 3.85Å; F11-V15 HydrophobicContact CE2-CG2 4.47Å; F11-V15 HydrophobicContact CZ-CG2 4.02Å; F11-V15 VanDerWaalsContact O-CG2 3.3Å; F11-V15 WeakPolarHBondContact O-CG2 3.4Å; F11-V15 PolarHBondContact O-N 2.98Å; Q12-V15 PolarHBondContact O-N 3.48Å; V15-L18 PolarHBondContact O-N 3.35Å; V15-A19 WeakPolarHBondContact O-CB 3.37Å; V15-A19 PolarHBondContact O-N 3.35Å
16I82.5Confident77.1Confident108 Ų108107.8 Ų107.855%0.55455%0.545SS*.Hα-helixtrans-64.7-42.4176.2-68.7165.2000110.9Q12 R13 A19 T20Q12-I16 WeakPolarHBondContact O-CB 3.41Å; Q12-I16 WeakPolarHBondContact O-CD1 3.5Å; Q12-I16 WeakPolarHBondContact O-CG1 3.5Å; Q12-I16 PolarHBondContact O-N 3.43Å; R13-I16 PolarHBondContact O-N 3.32Å; I16-A19 PolarHBondContact O-N 3.17Å; I16-T20 PolarHBondContact O-N 2.98Å; I16-T20 PolarHBondContact O-OG1 3.11Å; I16-T20 VanDerWaalsContact O-OG1 3.07Å
17L82.1Confident78.4Confident103 Ų103106 Ų10654%0.53955%0.545SS..Hα-helixtrans-63.7-39.5176.1-99.1155.3000112.8R13 T14 T20 F21R13-L17 WeakPolarHBondContact O-CB 3.1Å; R13-L17 PolarHBondContact O-N 3.45Å; T14-L17 PolarHBondContact O-N 3.01Å; L17-T20 WeakPolarHBondContact CA-OG1 3.42Å; L17-T20 PolarHBondContact O-OG1 2.92Å; L17-F21 WeakPolarHBondContact O-CB 3.36Å; L17-F21 PolarHBondContact O-N 3.26Å
18L81.2Confident79.1Confident108 Ų108104.3 Ų104.357%0.56554%0.536SS*.Hα-helixtrans-67-41.9175.3-109.1145.3000111.5T14 V15 F21 C22T14-L18 HydrophobicContact CG2-CD1 4.36Å; T14-L18 WeakPolarHBondContact O-CB 3.19Å; T14-L18 PolarHBondContact O-N 3.04Å; V15-L18 PolarHBondContact O-N 3.35Å; L18-F21 PolarHBondContact O-N 3.05Å; L18-C22 WeakPolarHBondContact O-CB 3.33Å; L18-C22 PolarHBondContact O-N 3.33Å; L18-C22 PolarHBondContact O-SG 3.13Å
19A81.7Confident79.3Confident53 Ų53101.8 Ų101.844%0.43853%0.531SS..Hα-helixtrans-63.1-43.5176.500000111.6V15 I16 C22 T23V15-A19 WeakPolarHBondContact O-CB 3.37Å; V15-A19 PolarHBondContact O-N 3.35Å; I16-A19 PolarHBondContact O-N 3.17Å; A19-C22 PolarHBondContact O-N 3.46Å; A19-T23 WeakPolarHBondContact O-CG2 3.48Å; A19-T23 PolarHBondContact O-N 3.23Å; A19-T23 PolarHBondContact O-OG1 3.36Å
20T84.3Confident79.8Confident65 Ų6595.2 Ų95.240%0.39952%0.517SS..Hα-helixtrans-67-39.8177.448.60000112.6I16 L17 C22 T23 V24I16-T20 PolarHBondContact O-N 2.98Å; I16-T20 PolarHBondContact O-OG1 3.11Å; I16-T20 VanDerWaalsContact O-OG1 3.07Å; L17-T20 WeakPolarHBondContact CA-OG1 3.42Å; L17-T20 PolarHBondContact O-OG1 2.92Å; T20-C22 VanDerWaalsContact C-N 3.34Å; T20-C22 PolarHBondContact O-N 3.39Å; T20-T23 WeakPolarHBondContact CA-OG1 3.43Å; T20-T23 PolarHBondContact O-N 3.11Å; T20-T23 PolarHBondContact O-OG1 3.32Å; T20-V24 VanDerWaalsContact O-CG2 3.3Å; T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 3.17Å
21F83.8Confident80.2Confident152 Ų15296.2 Ų96.267%0.66752%0.517SS*.Hα-helixtrans-62.6-41.1173.6-103.2-81.7000112.1L17 L18 V24 S25L17-F21 WeakPolarHBondContact O-CB 3.36Å; L17-F21 PolarHBondContact O-N 3.26Å; L18-F21 PolarHBondContact O-N 3.05Å; F21-V24 PolarHBondContact O-N 3.05Å; F21-S25 WeakPolarHBondContact O-CB 3.3Å; F21-S25 PolarHBondContact O-N 3Å
22C80.5Confident80Confident67 Ų6797.3 Ų97.345%0.45352%0.519SS..Hα-helixtrans-64.2-44.1176.5-69.60000111.5L18 A19 T20 V24 S25 I26L18-C22 WeakPolarHBondContact O-CB 3.33Å; L18-C22 PolarHBondContact O-N 3.33Å; L18-C22 PolarHBondContact O-SG 3.13Å; A19-C22 PolarHBondContact O-N 3.46Å; T20-C22 VanDerWaalsContact C-N 3.34Å; T20-C22 PolarHBondContact O-N 3.39Å; C22-V24 PolarHBondContact O-N 3.4Å; C22-S25 PolarHBondContact O-N 3.07Å; C22-I26 VanDerWaalsContact O-CG1 3.26Å; C22-I26 WeakPolarHBondContact O-CG1 3.27Å; C22-I26 PolarHBondContact O-N 2.89Å
23T82.6Confident79.9Confident82 Ų8298.4 Ų98.450%0.50353%0.527SS..Hα-helixtrans-66-39.1178.550.50000112.4A19 T20 I26 V27A19-T23 WeakPolarHBondContact O-CG2 3.48Å; A19-T23 PolarHBondContact O-N 3.23Å; A19-T23 PolarHBondContact O-OG1 3.36Å; T20-T23 WeakPolarHBondContact CA-OG1 3.43Å; T20-T23 PolarHBondContact O-N 3.11Å; T20-T23 PolarHBondContact O-OG1 3.32Å; T23-I26 PolarHBondContact O-N 2.65Å; T23-V27 VanDerWaalsContact O-CG2 3.31Å; T23-V27 WeakPolarHBondContact O-CG2 3.41Å; T23-V27 PolarHBondContact O-N 3.03Å
24V86Confident79.6Confident82 Ų8297.8 Ų97.850%0.49753%0.526SS..Hα-helixtrans-65.3-42.1175.9170.70000110.8T20 F21 C22 I26 V27 I28T20-V24 VanDerWaalsContact O-CG2 3.3Å; T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 3.17Å; F21-V24 PolarHBondContact O-N 3.05Å; C22-V24 PolarHBondContact O-N 3.4Å; V24-I26 VanDerWaalsContact C-N 3.35Å; V24-I26 PolarHBondContact O-N 3.14Å; V24-V27 PolarHBondContact O-N 3.3Å; V24-I28 HydrophobicContact CG1-CD1 3.74Å; V24-I28 HydrophobicContact CG1-CG1 4.4Å; V24-I28 VanDerWaalsContact O-CG1 3.3Å; V24-I28 WeakPolarHBondContact O-CG1 3.39Å; V24-I28 PolarHBondContact O-N 3.28Å
25S83.1Confident78.7Confident69 Ų6996.7 Ų96.748%0.48352%0.517SS..Hα-helixtrans-62.2-40.6176.3-174.10000112.5F21 C22 I28 S29F21-S25 WeakPolarHBondContact O-CB 3.3Å; F21-S25 PolarHBondContact O-N 3Å; C22-S25 PolarHBondContact O-N 3.07Å; S25-I28 PolarHBondContact O-N 3.17Å; S25-S29 WeakPolarHBondContact O-CB 3.34Å; S25-S29 PolarHBondContact O-N 2.9Å; S25-S29 PolarHBondContact O-OG 2.99Å
26I86.9Confident77.2Confident112 Ų11294.5 Ų94.557%0.57451%0.51SS*.Hα-helixtrans-65.1-42.4175.8-68.6165.2000110.9C22 T23 V24 S29 A30C22-I26 VanDerWaalsContact O-CG1 3.26Å; C22-I26 WeakPolarHBondContact O-CG1 3.27Å; C22-I26 PolarHBondContact O-N 2.89Å; T23-I26 PolarHBondContact O-N 2.65Å; V24-I26 VanDerWaalsContact C-N 3.35Å; V24-I26 PolarHBondContact O-N 3.14Å; I26-S29 PolarHBondContact O-N 3.09Å; I26-A30 VanDerWaalsContact O-CB 3.23Å; I26-A30 WeakPolarHBondContact O-CB 3.31Å; I26-A30 PolarHBondContact O-N 3.4Å
27V83.5Confident75.5Confident99 Ų9996.1 Ų96.160%0.651%0.51SS*.Hα-helixtrans-65.3-41.3177.5171.40000111.3T23 V24 A30 Y31T23-V27 VanDerWaalsContact O-CG2 3.31Å; T23-V27 WeakPolarHBondContact O-CG2 3.41Å; T23-V27 PolarHBondContact O-N 3.03Å; V24-V27 PolarHBondContact O-N 3.3Å; V27-A30 PolarHBondContact O-N 3.49Å; V27-Y31 WeakPolarHBondContact O-CB 3.38Å; V27-Y31 PolarHBondContact O-N 3.1Å
28I78Confident73.5Confident86 Ų8696.8 Ų96.844%0.44151%0.509SS..Hα-helixtrans-65.3-46.1176.1-68.5170000110.4V24 S25 A30 Y31 Y32V24-I28 HydrophobicContact CG1-CD1 3.74Å; V24-I28 HydrophobicContact CG1-CG1 4.4Å; V24-I28 VanDerWaalsContact O-CG1 3.3Å; V24-I28 WeakPolarHBondContact O-CG1 3.39Å; V24-I28 PolarHBondContact O-N 3.28Å; S25-I28 PolarHBondContact O-N 3.17Å; I28-A30 PolarHBondContact O-N 3.31Å; I28-Y31 WeakPolarHBondContact O-CB 3.46Å; I28-Y31 PolarHBondContact O-N 3.48Å; I28-Y32 HydrophobicContact CG2-CD2 3.72Å; I28-Y32 HydrophobicContact CG2-CE2 3.76Å; I28-Y32 VanDerWaalsContact O-CD2 3.28Å; I28-Y32 WeakPolarHBondContact O-CD2 3.48Å; I28-Y32 PolarHBondContact O-N 3.48Å
29S71.4Confident71.6Confident64 Ų6497.9 Ų97.945%0.44851%0.511SS..Hα-helixtrans-61.8-42.2175.4-78.60000112S25 I26 Y31 Y32 L33S25-S29 WeakPolarHBondContact O-CB 3.34Å; S25-S29 PolarHBondContact O-N 2.9Å; S25-S29 PolarHBondContact O-OG 2.99Å; I26-S29 PolarHBondContact O-N 3.09Å; S29-Y31 VanDerWaalsContact C-N 3.32Å; S29-Y31 PolarHBondContact O-N 2.86Å; S29-Y32 PolarHBondContact O-N 3.22Å; S29-L33 VanDerWaalsContact O-CB 3.27Å; S29-L33 WeakPolarHBondContact O-CB 3.43Å; S29-L33 PolarHBondContact O-N 2.92Å
30A74.8Confident69.4Low53 Ų53101.7 Ų101.744%0.43852%0.519SS..Hα-helixtrans-64.4-37.2176.400000111.8I26 V27 I28 Y34I26-A30 VanDerWaalsContact O-CB 3.23Å; I26-A30 WeakPolarHBondContact O-CB 3.31Å; I26-A30 PolarHBondContact O-N 3.4Å; V27-A30 PolarHBondContact O-N 3.49Å; I28-A30 PolarHBondContact O-N 3.31Å; A30-Y34 WeakPolarHBondContact O-CB 3.37Å; A30-Y34 PolarHBondContact O-N 2.89Å
31Y79.1Confident66.9Low138 Ų138102 Ų10254%0.54152%0.519SS..Hα-helixtrans-64.7-44.6174.2177.4-98000112.1V27 I28 S29 Y34 N35V27-Y31 WeakPolarHBondContact O-CB 3.38Å; V27-Y31 PolarHBondContact O-N 3.1Å; I28-Y31 WeakPolarHBondContact O-CB 3.46Å; I28-Y31 PolarHBondContact O-N 3.48Å; S29-Y31 VanDerWaalsContact C-N 3.32Å; S29-Y31 PolarHBondContact O-N 2.86Å; Y31-Y34 PolarHBondContact O-N 3.42Å; Y31-N35 VanDerWaalsContact CE1-ND2 3.27Å; Y31-N35 WeakPolarHBondContact CE1-ND2 3.43Å; Y31-N35 WeakPolarHBondContact O-CB 3.33Å; Y31-N35 PolarHBondContact O-N 3.43Å; Y31-N35 PolarHBondContact OH-ND2 3.46Å
32Y71.4Confident64.7Low163 Ų163100.6 Ų100.664%0.63951%0.514SS*.Hα-helixtrans-72.9-34.4177.2-80.6-73.3000113.2I28 S29 G36I28-Y32 HydrophobicContact CG2-CD2 3.72Å; I28-Y32 HydrophobicContact CG2-CE2 3.76Å; I28-Y32 VanDerWaalsContact O-CD2 3.28Å; I28-Y32 WeakPolarHBondContact O-CD2 3.48Å; I28-Y32 PolarHBondContact O-N 3.48Å; S29-Y32 PolarHBondContact O-N 3.22Å; Y32-G36 WeakPolarHBondContact O-CA 3.28Å; Y32-G36 PolarHBondContact O-N 2.91Å
33L69.9Low62.5Low130 Ų130103 Ų10368%0.68152%0.522SS*.Hα-helixtrans-67.2-40.5171.3-89.4154.9000111.5S29 G36 Y37S29-L33 VanDerWaalsContact O-CB 3.27Å; S29-L33 WeakPolarHBondContact O-CB 3.43Å; S29-L33 PolarHBondContact O-N 2.92Å; L33-G36 PolarHBondContact O-N 3.48Å; L33-Y37 WeakPolarHBondContact O-CB 3.29Å; L33-Y37 PolarHBondContact O-N 3.27Å
34Y69.2Low59.9Low164 Ų164101.9 Ų101.964%0.64352%0.518SS*.Hα-helixtrans-68.3-42.2176.7-175.2-99.1000111.8A30 Y31 K38A30-Y34 WeakPolarHBondContact O-CB 3.37Å; A30-Y34 PolarHBondContact O-N 2.89Å; Y31-Y34 PolarHBondContact O-N 3.42Å; Y34-K38 VanDerWaalsContact O-CB 3.32Å; Y34-K38 WeakPolarHBondContact O-CB 3.41Å; Y34-K38 PolarHBondContact O-N 2.87Å
35N58.6Low57.2Low57 Ų57104.8 Ų104.831%0.30553%0.526SS..Hα-helixtrans-68.9-37.8173.8-83.7-20.1000112.4Y31 K38 Q39Y31-N35 VanDerWaalsContact CE1-ND2 3.27Å; Y31-N35 WeakPolarHBondContact CE1-ND2 3.43Å; Y31-N35 WeakPolarHBondContact O-CB 3.33Å; Y31-N35 PolarHBondContact O-N 3.43Å; Y31-N35 PolarHBondContact OH-ND2 3.46Å; N35-K38 PolarHBondContact O-N 3.42Å; N35-Q39 WeakPolarHBondContact O-CB 3.41Å; N35-Q39 PolarHBondContact O-N 3.07Å
36G50.8Low54.9Low29 Ų29106.5 Ų106.530%0.29953%0.529SS..Hα-helixtrans-64.9-41.1173.700000112.3Y32 L33 Q39 E40Y32-G36 WeakPolarHBondContact O-CA 3.28Å; Y32-G36 PolarHBondContact O-N 2.91Å; L33-G36 PolarHBondContact O-N 3.48Å; G36-Q39 CarbonylContact O-C 3.59Å; G36-Q39 PolarHBondContact O-N 2.88Å; G36-E40 PolarHBondContact O-N 3.24Å
37Y45.8Very low52Low142 Ų142107.1 Ų107.156%0.55754%0.537SS*.Hα-helixtrans-68.4-34.2174.5-169.1-100.9000112.2L33 Q39 N41L33-Y37 WeakPolarHBondContact O-CB 3.29Å; L33-Y37 PolarHBondContact O-N 3.27Å; Y37-Q39 VanDerWaalsContact C-N 3.34Å; Y37-N41 WeakPolarHBondContact CE1-ND2 3.45Å; Y37-N41 WeakPolarHBondContact O-CB 3.38Å; Y37-N41 PolarHBondContact O-N 3Å
38K41.8Very low49.7Very low118 Ų118106.4 Ų106.451%0.51354%0.537SS..Hα-helixtrans-67.5-36.6171.7-158.6-178.4-176.8-169.10111.5Y34 N35 E42Y34-K38 VanDerWaalsContact O-CB 3.32Å; Y34-K38 WeakPolarHBondContact O-CB 3.41Å; Y34-K38 PolarHBondContact O-N 2.87Å; N35-K38 PolarHBondContact O-N 3.42Å; K38-E42 WeakPolarHBondContact O-CB 3.38Å; K38-E42 WeakPolarHBondContact O-CG 3.3Å; K38-E42 PolarHBondContact O-N 3.43Å
39Q41.4Very low47.9Very low131 Ų131107.9 Ų107.961%0.61254%0.542SS*.Hα-helixtrans-73.2-36.5176.2-157.4170.611.200112N35 G36 Y37 E42 L43N35-Q39 WeakPolarHBondContact O-CB 3.41Å; N35-Q39 PolarHBondContact O-N 3.07Å; G36-Q39 CarbonylContact O-C 3.59Å; G36-Q39 PolarHBondContact O-N 2.88Å; Y37-Q39 VanDerWaalsContact C-N 3.34Å; Q39-E42 PolarHBondContact O-N 3.32Å; Q39-L43 WeakPolarHBondContact O-CB 3.29Å; Q39-L43 PolarHBondContact O-N 2.96Å
40E34.8Very low46.6Very low132 Ų132109.2 Ų109.262%0.61755%0.547SS*.Hα-helixtrans-69.6-33.5170.8-88.8-175.2157.400112.8G36 L43 S44G36-E40 PolarHBondContact O-N 3.24Å; E40-L43 CarbonylContact O-C 3.48Å; E40-L43 PolarHBondContact O-N 2.76Å; E40-S44 VanDerWaalsContact O-CB 3.3Å; E40-S44 WeakPolarHBondContact O-CB 3.48Å; E40-S44 PolarHBondContact O-N 2.87Å; E40-S44 PolarHBondContact O-OG 3.43Å
41N31.9Very low45.4Very low72 Ų72113.3 Ų113.339%0.38556%0.557SS.*Hα-helixtrans-73.4-34.6171.3-87.8-14.9000112.7Y37 L43 S44 E45Y37-N41 WeakPolarHBondContact CE1-ND2 3.45Å; Y37-N41 WeakPolarHBondContact O-CB 3.38Å; Y37-N41 PolarHBondContact O-N 3Å; N41-L43 VanDerWaalsContact C-N 3.28Å; N41-S44 WeakPolarHBondContact CA-OG 3.21Å; N41-S44 PolarHBondContact O-N 3.1Å; N41-S44 PolarHBondContact O-OG 2.92Å; N41-E45 WeakPolarHBondContact O-CB 3.48Å; N41-E45 PolarHBondContact O-N 3.34Å
42E37.8Very low44.2Very low122 Ų122107.7 Ų107.757%0.5754%0.538SS*.Hα-helixtrans-64.5-33.7167-81.1179.4175.600111.3K38 Q39 I46K38-E42 WeakPolarHBondContact O-CB 3.38Å; K38-E42 WeakPolarHBondContact O-CG 3.3Å; K38-E42 PolarHBondContact O-N 3.43Å; Q39-E42 PolarHBondContact O-N 3.32Å; E42-I46 WeakPolarHBondContact O-CD1 3.49Å; E42-I46 VanDerWaalsContact O-CG1 3.24Å; E42-I46 WeakPolarHBondContact O-CG1 3.4Å
43L33.3Very low43.1Very low119 Ų119102 Ų10262%0.62353%0.528SS*.Hα-helixtrans-76.7-32.6175.8-13780.8000113.4Q39 E40 N41 I46Q39-L43 WeakPolarHBondContact O-CB 3.29Å; Q39-L43 PolarHBondContact O-N 2.96Å; E40-L43 CarbonylContact O-C 3.48Å; E40-L43 PolarHBondContact O-N 2.76Å; N41-L43 VanDerWaalsContact C-N 3.28Å; L43-I46 HydrophobicContact CD1-CD1 4.42Å; L43-I46 WeakPolarHBondContact O-CB 3.34Å; L43-I46 PolarHBondContact O-N 3.41Å
44S27.4Very low42.1Very low58 Ų58101 Ų10141%0.40652%0.524SS..Hα-helixtrans-80.4-3017974.70000112.2E40 N41 I46 T47E40-S44 VanDerWaalsContact O-CB 3.3Å; E40-S44 WeakPolarHBondContact O-CB 3.48Å; E40-S44 PolarHBondContact O-N 2.87Å; E40-S44 PolarHBondContact O-OG 3.43Å; N41-S44 WeakPolarHBondContact CA-OG 3.21Å; N41-S44 PolarHBondContact O-N 3.1Å; N41-S44 PolarHBondContact O-OG 2.92Å; S44-I46 PolarHBondContact O-N 2.95Å; S44-T47 PolarHBondContact O-N 2.96Å; S44-T47 VanDerWaalsContact O-N 3.16Å; S44-T47 PolarHBondContact O-OG1 3.18Å
45E31.1Very low41.2Very low142 Ų14295.6 Ų95.666%0.66451%0.506SS*.G310 helixtrans-68.7-16.8168.1-81-169.1161.300113.5N41 T47N41-E45 WeakPolarHBondContact O-CB 3.48Å; N41-E45 PolarHBondContact O-N 3.34Å; E45-T47 VanDerWaalsContact C-N 3.29Å
46I33.5Very low40.6Very low106 Ų106100 Ų10054%0.54452%0.524SS..G310 helixtrans-73.2-21.4171.8-68.2165.6000111.6E42 L43 S44 S48E42-I46 WeakPolarHBondContact O-CD1 3.49Å; E42-I46 VanDerWaalsContact O-CG1 3.24Å; E42-I46 WeakPolarHBondContact O-CG1 3.4Å; L43-I46 HydrophobicContact CD1-CD1 4.42Å; L43-I46 WeakPolarHBondContact O-CB 3.34Å; L43-I46 PolarHBondContact O-N 3.41Å; S44-I46 PolarHBondContact O-N 2.95Å; I46-S48 PolarHBondContact O-N 3.14Å
47T27Very low40.3Very low124 Ų124103.1 Ų103.176%0.76153%0.534SS*.G310 helixtrans-850.9-178.547.60000115.6S44 E45S44-T47 PolarHBondContact O-N 2.96Å; S44-T47 VanDerWaalsContact O-N 3.16Å; S44-T47 PolarHBondContact O-OG1 3.18Å; E45-T47 VanDerWaalsContact C-N 3.29Å
48S35.3Very low40.3Very low85 Ų85101 Ų10159%0.59453%0.531SS*.  trans-120.866166.767.90000110.8I46 V50I46-S48 PolarHBondContact O-N 3.14Å; S48-V50 PolarHBondContact O-N 3.28Å
49E40.4Very low40.1Very low116 Ų116101.4 Ų101.454%0.54255%0.546SS..  trans-64.5102168.4-81.3-171.515600108.7E51 K209E49-E51 PolarHBondContact O-N 3.35Å; E49-E51 VanDerWaalsContact O-N 3.15Å; E49-K209 IonicContact OE1-NZ 3.95Å; E49-K209 PolarHBondContact OE1-NZ 2.86Å; E49-K209 IonicContact OE2-NZ 2.96Å; E49-K209 PolarHBondContact OE2-NZ 2.65Å
50V42.6Very low40.4Very low92 Ų9298.9 Ų98.956%0.55853%0.532SS*.  trans-61.9112.8166.1178.60000107.1S48 D54S48-V50 PolarHBondContact O-N 3.28Å; V50-D54 HydrophobicContact CG1-CB 3.95Å
51E49.8Very low40.6Very low140 Ų140101.8 Ų101.865%0.65454%0.543SS*.  trans-66.1147.2176.7-73.4-169.1165.300109.4E49 G53 D54E49-E51 PolarHBondContact O-N 3.35Å; E49-E51 VanDerWaalsContact O-N 3.15Å; E51-G53 PolarHBondContact O-N 2.87Å; E51-D54 PolarHBondContact N-OD2 3.26Å; E51-D54 WeakPolarHBondContact O-CB 3.47Å; E51-D54 PolarHBondContact O-N 3.05Å
52C55.3Low41Very low20 Ų20105.3 Ų105.314%0.13556%0.561CS.*THydrogen-bonded Turntrans-59.1-18.7176.4-67.30000112.6C194C52-C194 HydrophobicContact CB-CB 3.88Å; C52-C194 WeakPolarHBondContact SG-CB 3.33Å
53G48Very low41.1Very low42 Ų42106 Ų10643%0.43357%0.565SS.*THydrogen-bonded Turntrans-76.3-19.1172.800000115.3E51 L55E51-G53 PolarHBondContact O-N 2.87Å; G53-L55 VanDerWaalsContact C-N 3.32Å
54D47.9Very low41.2Very low109 Ų109109 Ų10958%0.58358%0.576SS**THydrogen-bonded Turntrans-82.5-11.5178.2-70.5-33.7000113V50 E51 Q56V50-D54 HydrophobicContact CG1-CB 3.95Å; E51-D54 PolarHBondContact N-OD2 3.26Å; E51-D54 WeakPolarHBondContact O-CB 3.47Å; E51-D54 PolarHBondContact O-N 3.05Å; D54-Q56 PolarHBondContact O-N 3.35Å
55L51.7Low41.8Very low51 Ų51112.5 Ų112.527%0.26759%0.588SS.*SBendtrans-68.498.8167.8-71.2161.5000107.3G53 L57 L253G53-L55 VanDerWaalsContact C-N 3.32Å; L55-L57 PolarHBondContact O-N 3.27Å; L55-L253 HydrophobicContact CB-CD1 3.98Å; L55-L253 HydrophobicContact CD1-CD1 3.71Å; L55-L253 HydrophobicContact CD2-CD1 3.91Å; L55-L253 HydrophobicContact CG-CD1 4.06Å
56Q44.2Very low41.9Very low149 Ų149114.1 Ų114.170%0.69659%0.593SS**  trans-34.599.9177.9-84.9-173.4-28.200110.4D54 L58D54-Q56 PolarHBondContact O-N 3.35Å; Q56-L58 PolarHBondContact O-N 3.06Å
57L45.8Very low42.1Very low95 Ų95116.1 Ų116.150%0.49761%0.61SS.*  trans-55.8114.9172.7-86.9129.2000105.8L55L55-L57 PolarHBondContact O-N 3.27Å
58L46.3Very low43Very low97 Ų97115.1 Ų115.151%0.50860%0.598SS.*  trans-39.8151.1158.2-79.7157.2000108.7Q56 Y60Q56-L58 PolarHBondContact O-N 3.06Å; L58-Y60 HydrophobicContact CB-CD2 3.77Å; L58-Y60 HydrophobicContact CB-CE1 4.49Å; L58-Y60 HydrophobicContact CB-CE2 3.27Å; L58-Y60 HydrophobicContact CD1-CE2 3.98Å; L58-Y60 WeakPolarHBondContact CD1-OH 3.34Å; L58-Y60 HydrophobicContact CG-CE2 4.25Å; L58-Y60 WeakPolarHBondContact O-CD2 3.38Å; L58-Y60 PolarHBondContact O-N 2.72Å
59P37.4Very low43.5Very low127 Ų127120.5 Ų120.583%0.82561%0.611SS**SBendtrans-70.169.8-166.230.9-36.1000111.9
60Y46.3Very low43.9Very low78 Ų78120.8 Ų120.831%0.30662%0.622SS.*  trans-97.594.6177.1-58.8-57.9000105.9L58 L62L58-Y60 HydrophobicContact CB-CD2 3.77Å; L58-Y60 HydrophobicContact CB-CE1 4.49Å; L58-Y60 HydrophobicContact CB-CE2 3.27Å; L58-Y60 HydrophobicContact CD1-CE2 3.98Å; L58-Y60 WeakPolarHBondContact CD1-OH 3.34Å; L58-Y60 HydrophobicContact CG-CE2 4.25Å; L58-Y60 WeakPolarHBondContact O-CD2 3.38Å; L58-Y60 PolarHBondContact O-N 2.72Å; Y60-L62 PolarHBondContact O-N 3.45Å; Y60-L62 VanDerWaalsContact O-N 3.08Å
61K40.1Very low44.6Very low194 Ų194119.5 Ų119.584%0.84361%0.612SS**  trans-53.8118.6172.1-89.4-179.8172.6178.50108.6M63K61-M63 VanDerWaalsContact C-N 3.32Å; K61-M63 PolarHBondContact O-N 3.24Å
62L40.5Very low45Very low146 Ų146116.5 Ų116.576%0.76460%0.6SS**  trans-61.195.5166.9-150.895.4000106.9Y60 H198Y60-L62 PolarHBondContact O-N 3.45Å; Y60-L62 VanDerWaalsContact O-N 3.08Å; L62-H198 HydrophobicContact CD1-CB 4.27Å
63M38.8Very low44.9Very low135 Ų135119.9 Ų119.967%0.66562%0.622SS**  trans-79.9129.9173.8-108.6-174.579.500108.5K61 M65K61-M63 VanDerWaalsContact C-N 3.32Å; K61-M63 PolarHBondContact O-N 3.24Å; M63-M65 PolarHBondContact O-N 3.27Å
64E36Very low45.6Very low182 Ų182124.7 Ų124.785%0.8564%0.637SS**  trans-55123.8162.7-78.7-178.6151.100108.9K66E64-K66 PolarHBondContact O-N 3.14Å
65M39Very low47.2Very low132 Ų132124 Ų12465%0.6563%0.626SS**  trans-54.9110172.8-96.7-179.870.500108.5M63 T67M63-M65 PolarHBondContact O-N 3.27Å; M65-T67 PolarHBondContact O-N 3.34Å
66K34.3Very low49Very low177 Ų177122 Ų12277%0.7762%0.616SS**  trans-55.1125.1158.8-83.5-177.2174.6178.90106.9E64 M68E64-K66 PolarHBondContact O-N 3.14Å; K66-M68 PolarHBondContact O-N 3.41Å
67T36.8Very low51.2Low147 Ų147117.5 Ų117.590%0.90260%0.597SS**  trans-48.7103.3175.632.20000109.9M65M65-T67 PolarHBondContact O-N 3.34Å
68M47.1Very low53.5Low103 Ų103117.2 Ų117.251%0.50760%0.595SS.*PPolyproline II helixtrans-68.9156.9177.6-77177.880.600110.4K66 Q268K66-M68 PolarHBondContact O-N 3.41Å; M68-Q268 HydrophobicContact CE-CG 4.05Å; M68-Q268 PolarHBondContact SD-NE2 3.12Å
69K45.9Very low55.9Low199 Ų199114.2 Ų114.287%0.86558%0.581SS**PPolyproline II helixtrans-51.7125.1170.9-84-178.2176.1177.30109I71K69-I71 PolarHBondContact O-N 3.29Å
70P47.9Very low58.8Low122 Ų122108.1 Ų108.179%0.79254%0.541SS*.PPolyproline II helixtrans-62.1133.5177.123.1-30.4000109.6D72P70-D72 PolarHBondContact O-N 3.2Å
71I57.1Low61.2Low64 Ų64104.4 Ų104.433%0.32853%0.527SS..  trans-65.9105.7172.5-61.1169.5000107.3K69 P73K69-I71 PolarHBondContact O-N 3.29Å; I71-P73 WeakPolarHBondContact O-CD 3.08Å
72D58.3Low64Low78 Ų7895.2 Ų95.242%0.41749%0.487SS..  trans-67.5119.2178.7-178-13.1000110.5P70 L74 R75P70-D72 PolarHBondContact O-N 3.2Å; D72-L74 VanDerWaalsContact C-N 3.29Å; D72-L74 PolarHBondContact O-N 2.88Å; D72-L74 PolarHBondContact OD1-N 2.71Å; D72-R75 HydrophobicContact CB-CG 3.94Å; D72-R75 PolarHBondContact O-N 3.18Å
73P52.7Low66.6Low90 Ų9088.3 Ų88.358%0.58445%0.45SS*.THydrogen-bonded Turntrans-67.5-17.6-176.427.7-34.4000116I71 R75I71-P73 WeakPolarHBondContact O-CD 3.08Å; P73-R75 VanDerWaalsContact C-N 3.34Å
74L62.6Low69.3Low144 Ų14482 Ų8275%0.75442%0.42SS*.THydrogen-bonded Turntrans-84.9-10.6-178.1-70.6165.7000113.4D72D72-L74 VanDerWaalsContact C-N 3.29Å; D72-L74 PolarHBondContact O-N 2.88Å; D72-L74 PolarHBondContact OD1-N 2.71Å
75R82.6Confident71.9Confident94 Ų9477.8 Ų77.836%0.35540%0.4SS..SBendtrans-88.6-18.6-168.4-60.6-169.776.9-161.7-2.7114.7D72 P73 K125 G126 E156 Y157D72-R75 HydrophobicContact CB-CG 3.94Å; D72-R75 PolarHBondContact O-N 3.18Å; P73-R75 VanDerWaalsContact C-N 3.34Å; R75-K125 WeakPolarHBondContact O-CG 3.46Å; R75-G126 PolarHBondContact O-N 3.43Å; R75-E156 PolarHBondContact NH1-O 2.89Å; R75-E156 IonicContact NH2-OE1 3.64Å; R75-Y157 HydrophobicContact CB-CD1 3.96Å; R75-Y157 HydrophobicContact CB-CE1 4.41Å; R75-Y157 VanDerWaalsContact O-CD1 3.29Å; R75-Y157 WeakPolarHBondContact O-CD1 3.45Å; R75-Y157 WeakPolarHBondContact O-CE1 3.42Å
76T89.4Confident74.4Confident9 Ų973.9 Ų73.96%0.05539%0.386CS..BIsolated β-bridgetrans-131.3154.517966.80000114.5K125 G126 Y128 Y157 V159T76-K125 WeakPolarHBondContact O-CE 3.44Å; T76-G126 CarbonylContact C-O 3.6Å; T76-G126 WeakPolarHBondContact CA-O 3.47Å; T76-Y128 WeakPolarHBondContact CG2-O 3.03Å; T76-Y157 HydrophobicContact CG2-CD1 4.04Å; T76-Y157 HydrophobicContact CG2-CG 4.35Å; T76-V159 HydrophobicContact CG2-CG2 4.19Å
77D91.1Very high76.9Confident55 Ų5571 Ų7129%0.29438%0.375SS..  trans-77.9148.9163.8-64-41.4000110.8V79 K125 G126 K127 A129D77-V79 HydrophobicContact CB-CG2 4.13Å; D77-V79 PolarHBondContact O-N 3.3Å; D77-K125 WeakPolarHBondContact OD1-CE 3.48Å; D77-K125 IonicContact OD1-NZ 2.71Å; D77-K125 PolarHBondContact OD1-NZ 3.08Å; D77-G126 PolarHBondContact N-O 2.88Å; D77-K127 WeakPolarHBondContact CB-O 3.39Å; D77-A129 WeakPolarHBondContact O-CB 3.29Å; D77-A129 PolarHBondContact O-N 3.4Å
78L93.7Very high79.5Confident89 Ų8973.2 Ų73.247%0.46637%0.368SS..SBendtrans-80.954.6-179.2-62.1-179.5000111.9A129 K296 L297L78-A129 HydrophobicContact CD2-CB 4.47Å; L78-K296 HydrophobicContact CD2-CB 3.8Å; L78-K296 HydrophobicContact CD2-CD 3.83Å; L78-K296 HydrophobicContact CD2-CG 4.42Å; L78-L297 HydrophobicContact CB-CD2 4.29Å
79V96.1Very high81.7Confident33 Ų3369.1 Ų69.120%0.235%0.35CS..EExtended strand (participates in β ladder)trans-117.9137.9-179.6-173.40000109.6D77 Q105 H107 Y128 A129D77-V79 HydrophobicContact CB-CG2 4.13Å; D77-V79 PolarHBondContact O-N 3.3Å; V79-Q105 WeakPolarHBondContact CA-O 3.49Å; V79-Q105 HydrophobicContact CG1-CB 4.49Å; V79-Q105 HydrophobicContact CG2-CB 4.07Å; V79-H107 HydrophobicContact CG1-CB 4.3Å; V79-Y128 HydrophobicContact CB-CD1 4.08Å; V79-Y128 HydrophobicContact CG1-CD1 3.92Å; V79-Y128 HydrophobicContact CG1-CE1 4.1Å; V79-Y128 CarbonylContact O-C 3.57Å; V79-Y128 VanDerWaalsContact O-CA 3.25Å; V79-Y128 WeakPolarHBondContact O-CA 3.26Å; V79-A129 PolarHBondContact O-N 3.06Å
80V98.1Very high84Confident0 Ų063.2 Ų63.20%034%0.338CS..EExtended strand (participates in β ladder)trans-94.8123.7174-175.30000109.7V82 L99 Q105 Y106 H107 L130 V132 L297V80-V82 HydrophobicContact CG1-CG2 3.98Å; V80-L99 HydrophobicContact CB-CD1 4.19Å; V80-L99 HydrophobicContact CB-CD2 4.49Å; V80-L99 HydrophobicContact CG1-CD1 4.07Å; V80-L99 HydrophobicContact CG2-CD2 4.06Å; V80-Q105 PolarHBondContact N-O 3.32Å; V80-Y106 CarbonylContact O-C 3.48Å; V80-Y106 WeakPolarHBondContact O-CA 3.23Å; V80-H107 PolarHBondContact O-N 3.5Å; V80-L130 WeakPolarHBondContact CA-O 3.18Å; V80-L130 HydrophobicContact CG1-CB 4.31Å; V80-L130 HydrophobicContact CG1-CD2 4.2Å; V80-L130 HydrophobicContact CG1-CG 4.38Å; V80-L130 HydrophobicContact CG2-CB 4.31Å; V80-L130 HydrophobicContact CG2-CD2 4.35Å; V80-V132 HydrophobicContact CG1-CG2 3.76Å; V80-L297 HydrophobicContact CG2-CD1 3.48Å; V80-L297 VanDerWaalsContact CG2-CD1 3.48Å
81L97.8Very high86.3Confident0 Ų058.5 Ų58.50%031%0.306CS..EExtended strand (participates in β ladder)trans-86.9120.9170.7-178.959.3000109.4F83 H107 E109 P118 L120 Y128 L130 I131 V132L81-F83 HydrophobicContact CD2-CD2 4.41Å; L81-F83 HydrophobicContact CD2-CE2 3.51Å; L81-F83 HydrophobicContact CD2-CZ 3.59Å; L81-F83 HydrophobicContact CG-CD2 4.32Å; L81-F83 HydrophobicContact CG-CE2 3.87Å; L81-F83 HydrophobicContact CG-CZ 4.11Å; L81-H107 HydrophobicContact CD1-CB 4.35Å; L81-E109 HydrophobicContact CD1-CB 4.19Å; L81-P118 HydrophobicContact CD1-CG 4.16Å; L81-P118 HydrophobicContact CD2-CG 4.09Å; L81-L120 HydrophobicContact CD2-CD2 4.24Å; L81-Y128 HydrophobicContact CB-CD1 3.68Å; L81-Y128 HydrophobicContact CB-CD2 4.13Å; L81-Y128 HydrophobicContact CB-CE1 4.05Å; L81-Y128 HydrophobicContact CB-CE2 4.46Å; L81-Y128 HydrophobicContact CB-CG 3.72Å; L81-Y128 HydrophobicContact CD1-CE1 4.11Å; L81-Y128 HydrophobicContact CD1-CE2 4.42Å; L81-Y128 HydrophobicContact CD2-CD2 3.97Å; L81-Y128 HydrophobicContact CD2-CE2 3.93Å; L81-Y128 HydrophobicContact CD2-CG 4.42Å; L81-L130 PolarHBondContact N-O 3.35Å; L81-I131 HydrophobicContact CB-CG1 4.25Å; L81-I131 HydrophobicContact CD2-CG1 4.45Å; L81-I131 CarbonylContact O-C 3.38Å; L81-I131 WeakPolarHBondContact O-CA 3.47Å; L81-V132 PolarHBondContact O-N 3.27Å
82V97.5Very high88.1Confident0 Ų055.5 Ų55.50%029%0.291CS..EExtended strand (participates in β ladder)trans-113.7111.9-178.6-171.90000109.3V80 V84 I95 L99 H107 I108 E109 V132V80-V82 HydrophobicContact CG1-CG2 3.98Å; V82-V84 HydrophobicContact CG1-CG1 3.98Å; V82-I95 HydrophobicContact CG1-CG2 3.84Å; V82-I95 HydrophobicContact CG2-CG2 4.18Å; V82-L99 HydrophobicContact CG2-CD1 3.72Å; V82-H107 PolarHBondContact N-O 3.26Å; V82-I108 WeakPolarHBondContact O-CA 3.29Å; V82-E109 PolarHBondContact O-N 2.95Å; V82-V132 CarbonylContact C-O 3.58Å; V82-V132 WeakPolarHBondContact CA-O 3.47Å
83F96.3Very high89.9Confident1 Ų155.2 Ų55.20%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-87.7118.7172.8-73.8-69.4000110.7L81 E109 A111 P112 L117 P118 I131 V132 Y133 E134L81-F83 HydrophobicContact CD2-CD2 4.41Å; L81-F83 HydrophobicContact CD2-CE2 3.51Å; L81-F83 HydrophobicContact CD2-CZ 3.59Å; L81-F83 HydrophobicContact CG-CD2 4.32Å; L81-F83 HydrophobicContact CG-CE2 3.87Å; L81-F83 HydrophobicContact CG-CZ 4.11Å; F83-E109 VanDerWaalsContact CA-O 3.32Å; F83-E109 WeakPolarHBondContact CA-O 3.34Å; F83-E109 HydrophobicContact CD1-CB 3.88Å; F83-E109 HydrophobicContact CD1-CG 4.17Å; F83-E109 HydrophobicContact CE1-CB 3.82Å; F83-E109 HydrophobicContact CE1-CG 3.8Å; F83-A111 HydrophobicContact CB-CB 4.27Å; F83-P112 HydrophobicContact CE1-CG 4.44Å; F83-L117 HydrophobicContact CE1-CD2 4.3Å; F83-L117 HydrophobicContact CZ-CD2 3.76Å; F83-P118 HydrophobicContact CZ-CG 4.43Å; F83-I131 HydrophobicContact CD2-CG2 3.87Å; F83-I131 HydrophobicContact CE2-CG2 3.93Å; F83-V132 PolarHBondContact N-O 3.09Å; F83-Y133 HydrophobicContact CB-CD1 3.56Å; F83-Y133 HydrophobicContact CB-CE1 3.63Å; F83-Y133 HydrophobicContact CB-CG 4.26Å; F83-Y133 AromaticContact CD2-CD1 3.99Å; F83-Y133 HydrophobicContact CD2-CD1 3.99Å; F83-Y133 HydrophobicContact CD2-CD2 4.37Å; F83-Y133 AromaticContact CD2-CE1 3.36Å; F83-Y133 HydrophobicContact CD2-CE1 3.36Å; F83-Y133 AromaticContact CD2-CE2 3.82Å; F83-Y133 HydrophobicContact CD2-CE2 3.82Å; F83-Y133 HydrophobicContact CD2-CG 4.44Å; F83-Y133 AromaticContact CD2-CZ 3.25Å; F83-Y133 WeakPolarHBondContact CD2-OH 3.31Å; F83-Y133 HydrophobicContact CE2-CE1 4.1Å; F83-Y133 HydrophobicContact CE2-CE2 4.28Å; F83-Y133 AromaticContact CE2-CZ 3.65Å; F83-Y133 VanDerWaalsContact CE2-OH 3.25Å; F83-Y133 WeakPolarHBondContact CE2-OH 3.33Å; F83-Y133 HydrophobicContact CG-CD1 4.06Å; F83-Y133 AromaticContact CG-CE1 3.59Å; F83-Y133 HydrophobicContact CG-CE1 3.59Å; F83-Y133 AromaticContact CG-CZ 3.99Å; F83-E134 PolarHBondContact O-N 2.76Å
84V95.1Very high92Very high4 Ų453.3 Ų53.32%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-115.2153.4179.5-59.40000111.3V82 S86 I108 E109 I110 A111 E134V82-V84 HydrophobicContact CG1-CG1 3.98Å; V84-S86 WeakPolarHBondContact CB-O 3.5Å; V84-S86 VanDerWaalsContact CG2-O 3.24Å; V84-S86 WeakPolarHBondContact CG2-O 3.41Å; V84-I108 HydrophobicContact CB-CG2 4.42Å; V84-I108 HydrophobicContact CG1-CG2 4.02Å; V84-I108 HydrophobicContact CG2-CG2 3.48Å; V84-I108 VanDerWaalsContact CG2-CG2 3.48Å; V84-E109 PolarHBondContact N-O 3.31Å; V84-I110 HydrophobicContact CG2-CG1 4.44Å; V84-I110 CarbonylContact O-C 3.52Å; V84-I110 VanDerWaalsContact O-CA 3.3Å; V84-I110 WeakPolarHBondContact O-CA 3.44Å; V84-A111 PolarHBondContact O-N 3.2Å; V84-E134 VanDerWaalsContact CA-CD 3.43Å; V84-E134 WeakPolarHBondContact CA-OE2 3.09Å; V84-E134 WeakPolarHBondContact CB-OE2 3.35Å; V84-E134 WeakPolarHBondContact CG1-OE2 3.43Å
85E91.3Very high93.6Very high93 Ų9346.5 Ų46.544%0.43524%0.236SC..SBendtrans-77.1-29.2174.6-63.6-168.113700111.6E134 N135 K138E85-E134 WeakPolarHBondContact CA-OE1 3.43Å; E85-E134 WeakPolarHBondContact CB-OE1 3.38Å; E85-E134 HydrophobicContact CG-CG 4.19Å; E85-E134 VanDerWaalsContact CG-OE1 3.24Å; E85-E134 WeakPolarHBondContact CG-OE1 3.46Å; E85-E134 PolarHBondContact N-OE1 3.45Å; E85-N135 HydrophobicContact CG-CB 4.26Å; E85-N135 PolarHBondContact OE1-ND2 3.02Å; E85-K138 WeakPolarHBondContact OE1-CE 3.34Å; E85-K138 IonicContact OE1-NZ 3.67Å
86S91.6Very high94.3Very high49 Ų4942.1 Ų42.134%0.34322%0.22SC..SBendtrans-152.1163171.575.40000110.4V84 Y88 S89V84-S86 WeakPolarHBondContact CB-O 3.5Å; V84-S86 VanDerWaalsContact CG2-O 3.24Å; V84-S86 WeakPolarHBondContact CG2-O 3.41Å; S86-Y88 PolarHBondContact O-N 3.17Å; S86-Y88 PolarHBondContact OG-N 3.15Å; S86-S89 PolarHBondContact O-N 3.05Å; S86-S89 PolarHBondContact O-OG 2.96Å; S86-S89 PolarHBondContact OG-N 2.81Å
87Q86.9Confident94.6Very high118 Ų11843.4 Ų43.455%0.55123%0.228SC*.THydrogen-bonded Turntrans-61.3-16.1176.1-68.9-179.1-15.700113.6Q93 I110Q87-Q93 PolarHBondContact O-NE2 3.28Å; Q87-I110 HydrophobicContact CG-CD1 4.24Å
88Y90.2Very high94.8Very high193 Ų19340.9 Ų40.976%0.75721%0.214SC*.THydrogen-bonded Turntrans-119.112.9-172.9-51.7-75.1000113.1S86 A90S86-Y88 PolarHBondContact O-N 3.17Å; S86-Y88 PolarHBondContact OG-N 3.15Å; Y88-A90 PolarHBondContact O-N 2.89Å
89S93.7Very high95Very high17 Ų1736.6 Ų36.612%0.11919%0.192CC..  trans-60.7132.7177.156.70000110.4S86 L91 G92 Q93 E134S86-S89 PolarHBondContact O-N 3.05Å; S86-S89 PolarHBondContact O-OG 2.96Å; S86-S89 PolarHBondContact OG-N 2.81Å; S89-L91 PolarHBondContact O-N 3.17Å; S89-G92 PolarHBondContact O-N 2.64Å; S89-G92 WeakPolarHBondContact OG-CA 3.43Å; S89-G92 PolarHBondContact OG-N 2.9Å; S89-Q93 WeakPolarHBondContact O-CG 3.25Å; S89-Q93 PolarHBondContact O-N 2.76Å; S89-E134 WeakPolarHBondContact CB-OE1 3.5Å; S89-E134 VanDerWaalsContact CB-OE2 3.31Å; S89-E134 WeakPolarHBondContact CB-OE2 3.46Å; S89-E134 VanDerWaalsContact OG-CD 3.27Å; S89-E134 PolarHBondContact OG-OE1 3.43Å; S89-E134 PolarHBondContact OG-OE2 3.2Å
90A94.6Very high94.9Very high75 Ų7536.3 Ų36.362%0.6219%0.189SC*.Hα-helixtrans-58.8-47.1-176.900000112Y88 Q93 D94Y88-A90 PolarHBondContact O-N 2.89Å; A90-Q93 PolarHBondContact O-N 3.04Å; A90-D94 PolarHBondContact O-N 3.46Å
91L95.4Very high94.7Very high23 Ų2337 Ų3712%0.1219%0.193CC..Hα-helixtrans-65.9-39.5178176.356.3000112.4S89 Q93 D94 I95 E134 F164 N275 L276S89-L91 PolarHBondContact O-N 3.17Å; L91-Q93 VanDerWaalsContact C-N 3.29Å; L91-Q93 PolarHBondContact O-N 2.76Å; L91-D94 PolarHBondContact O-N 3.02Å; L91-I95 HydrophobicContact CD1-CD1 4.06Å; L91-I95 HydrophobicContact CD1-CG1 4.14Å; L91-I95 HydrophobicContact CG-CD1 3.96Å; L91-I95 VanDerWaalsContact O-CG1 3.31Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 2.95Å; L91-E134 HydrophobicContact CD2-CB 4.21Å; L91-E134 WeakPolarHBondContact CD2-O 3.45Å; L91-E134 HydrophobicContact CG-CB 4.22Å; L91-F164 HydrophobicContact CD1-CD1 4.34Å; L91-F164 HydrophobicContact CD1-CE1 4.39Å; L91-F164 HydrophobicContact CD2-CB 3.72Å; L91-F164 HydrophobicContact CD2-CD1 4.13Å; L91-F164 HydrophobicContact CD2-CD2 4.3Å; L91-F164 HydrophobicContact CD2-CG 3.8Å; L91-N275 HydrophobicContact CD1-CB 4.01Å; L91-N275 HydrophobicContact CD2-CB 4.3Å; L91-L276 HydrophobicContact CD1-CB 4.33Å; L91-L276 HydrophobicContact CD1-CD1 4.24Å; L91-L276 HydrophobicContact CD1-CG 3.83Å
92G96.1Very high94.6Very high1 Ų137.3 Ų37.31%0.0120%0.195CC..Hα-helixtrans-58-43.9173.600000111.6S89 I95 V96 E134S89-G92 PolarHBondContact O-N 2.64Å; S89-G92 WeakPolarHBondContact OG-CA 3.43Å; S89-G92 PolarHBondContact OG-N 2.9Å; G92-I95 PolarHBondContact O-N 2.9Å; G92-V96 WeakPolarHBondContact O-CB 3.26Å; G92-V96 WeakPolarHBondContact O-CG2 3.47Å; G92-V96 PolarHBondContact O-N 2.84Å; G92-E134 VanDerWaalsContact CA-OE2 3.25Å; G92-E134 WeakPolarHBondContact CA-OE2 3.36Å; G92-E134 PolarHBondContact N-OE2 2.93Å
93Q95.5Very high94.3Very high72 Ų7241 Ų4134%0.33621%0.209SC..Hα-helixtrans-67.1-35.5175.8-66.9-61.3-35.600113Q87 S89 A90 L91 V96 T97Q87-Q93 PolarHBondContact O-NE2 3.28Å; S89-Q93 WeakPolarHBondContact O-CG 3.25Å; S89-Q93 PolarHBondContact O-N 2.76Å; A90-Q93 PolarHBondContact O-N 3.04Å; L91-Q93 VanDerWaalsContact C-N 3.29Å; L91-Q93 PolarHBondContact O-N 2.76Å; Q93-V96 PolarHBondContact O-N 3.1Å; Q93-T97 VanDerWaalsContact O-CB 3.3Å; Q93-T97 WeakPolarHBondContact O-CB 3.38Å; Q93-T97 PolarHBondContact O-N 2.98Å; Q93-T97 PolarHBondContact O-OG1 3.5Å
94D95.8Very high94.3Very high50 Ų5042.2 Ų42.227%0.26721%0.214SC..Hα-helixtrans-66.2-43.2174.3-69.8-31.8000111.9A90 L91 T97 V98 L276A90-D94 PolarHBondContact O-N 3.46Å; L91-D94 PolarHBondContact O-N 3.02Å; D94-T97 PolarHBondContact O-N 3.13Å; D94-V98 PolarHBondContact O-N 2.68Å; D94-V98 VanDerWaalsContact O-N 3.11Å; D94-L276 HydrophobicContact CB-CB 4.3Å; D94-L276 HydrophobicContact CB-CD1 4.28Å
95I97.6Very high94.3Very high0 Ų048.4 Ų48.40%024%0.243CC..Hα-helixtrans-58.4-51.2174.3-72.6161.8000109.6V82 L91 G92 T97 V98 L99 V132 E134 F164 L276 F285V82-I95 HydrophobicContact CG1-CG2 3.84Å; V82-I95 HydrophobicContact CG2-CG2 4.18Å; L91-I95 HydrophobicContact CD1-CD1 4.06Å; L91-I95 HydrophobicContact CD1-CG1 4.14Å; L91-I95 HydrophobicContact CG-CD1 3.96Å; L91-I95 VanDerWaalsContact O-CG1 3.31Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 2.95Å; G92-I95 PolarHBondContact O-N 2.9Å; I95-T97 VanDerWaalsContact C-N 3.3Å; I95-T97 PolarHBondContact O-N 3.31Å; I95-V98 PolarHBondContact O-N 3.34Å; I95-L99 HydrophobicContact CG2-CD1 4.05Å; I95-L99 WeakPolarHBondContact O-CG 3.39Å; I95-L99 PolarHBondContact O-N 2.95Å; I95-L99 VanDerWaalsContact O-N 3.09Å; I95-V132 HydrophobicContact CD1-CG1 3.92Å; I95-V132 HydrophobicContact CG2-CG1 4.23Å; I95-E134 HydrophobicContact CD1-CB 4.17Å; I95-F164 HydrophobicContact CD1-CD2 4.08Å; I95-F164 HydrophobicContact CD1-CE2 3.75Å; I95-F164 HydrophobicContact CD1-CZ 4.49Å; I95-F164 HydrophobicContact CG1-CE2 4.15Å; I95-F164 HydrophobicContact CG1-CZ 4.49Å; I95-L276 HydrophobicContact CG1-CD1 3.86Å; I95-F285 HydrophobicContact CB-CZ 4.44Å; I95-F285 HydrophobicContact CG1-CZ 4.16Å; I95-F285 HydrophobicContact CG2-CE1 4.46Å; I95-F285 HydrophobicContact CG2-CZ 3.93Å
96V96.4Very high94.6Very high3 Ų347.5 Ų47.52%0.01824%0.236CC..Hα-helixtrans-60-42.3178.8168.80000110.9G92 Q93 V98 L99 E100 Y106 I108G92-V96 WeakPolarHBondContact O-CB 3.26Å; G92-V96 WeakPolarHBondContact O-CG2 3.47Å; G92-V96 PolarHBondContact O-N 2.84Å; Q93-V96 PolarHBondContact O-N 3.1Å; V96-V98 VanDerWaalsContact C-N 3.3Å; V96-V98 PolarHBondContact O-N 3.06Å; V96-L99 PolarHBondContact O-N 2.77Å; V96-L99 VanDerWaalsContact O-N 3.14Å; V96-E100 HydrophobicContact CG1-CG 4.04Å; V96-E100 WeakPolarHBondContact CG1-OE1 3.26Å; V96-E100 WeakPolarHBondContact O-CB 3.34Å; V96-E100 WeakPolarHBondContact O-CG 3.33Å; V96-E100 PolarHBondContact O-N 2.83Å; V96-Y106 HydrophobicContact CG1-CE1 4.14Å; V96-Y106 HydrophobicContact CG1-CE2 3.98Å; V96-Y106 WeakPolarHBondContact CG1-OH 3.45Å; V96-Y106 HydrophobicContact CG2-CD2 4.46Å; V96-Y106 HydrophobicContact CG2-CE2 4.17Å; V96-I108 HydrophobicContact CG2-CD1 3.51Å; V96-I108 HydrophobicContact CG2-CG1 4Å
97T95.5Very high94.8Very high36 Ų3648.5 Ų48.522%0.22124%0.235CC..Hα-helixtrans-58.9-40177.6-66.50000112.1Q93 D94 I95 S101Q93-T97 VanDerWaalsContact O-CB 3.3Å; Q93-T97 WeakPolarHBondContact O-CB 3.38Å; Q93-T97 PolarHBondContact O-N 2.98Å; Q93-T97 PolarHBondContact O-OG1 3.5Å; D94-T97 PolarHBondContact O-N 3.13Å; I95-T97 VanDerWaalsContact C-N 3.3Å; I95-T97 PolarHBondContact O-N 3.31Å; T97-S101 WeakPolarHBondContact O-CB 3.48Å; T97-S101 PolarHBondContact O-N 3.44Å; T97-S101 PolarHBondContact O-OG 3.15Å
98V96.8Very high95.1Very high1 Ų145.4 Ų45.41%0.00622%0.222CC..Hα-helixtrans-66.5-44.3175.4172.70000111.3D94 I95 V96 S102 K282 F285 I286 L511D94-V98 PolarHBondContact O-N 2.68Å; D94-V98 VanDerWaalsContact O-N 3.11Å; I95-V98 PolarHBondContact O-N 3.34Å; V96-V98 VanDerWaalsContact C-N 3.3Å; V96-V98 PolarHBondContact O-N 3.06Å; V98-S102 WeakPolarHBondContact O-CB 3.41Å; V98-S102 PolarHBondContact O-N 2.85Å; V98-S102 PolarHBondContact O-OG 2.95Å; V98-K282 HydrophobicContact CG2-CD 4.4Å; V98-K282 HydrophobicContact CG2-CG 4.19Å; V98-F285 HydrophobicContact CB-CD1 4.36Å; V98-F285 HydrophobicContact CB-CE1 4.07Å; V98-F285 HydrophobicContact CG1-CD1 4Å; V98-F285 HydrophobicContact CG1-CE1 3.93Å; V98-F285 HydrophobicContact CG2-CD1 4.43Å; V98-I286 HydrophobicContact CG1-CG1 4.01Å; V98-L511 HydrophobicContact CG1-CD2 4.22Å
99L96.9Very high95.3Very high0 Ų039.2 Ų39.20%020%0.2CC..Hα-helixtrans-64.2-44179-64.4174.5000111.8V80 V82 I95 V96 S102 R103 F104 Y106 I289V80-L99 HydrophobicContact CB-CD1 4.19Å; V80-L99 HydrophobicContact CB-CD2 4.49Å; V80-L99 HydrophobicContact CG1-CD1 4.07Å; V80-L99 HydrophobicContact CG2-CD2 4.06Å; V82-L99 HydrophobicContact CG2-CD1 3.72Å; I95-L99 HydrophobicContact CG2-CD1 4.05Å; I95-L99 WeakPolarHBondContact O-CG 3.39Å; I95-L99 PolarHBondContact O-N 2.95Å; I95-L99 VanDerWaalsContact O-N 3.09Å; V96-L99 PolarHBondContact O-N 2.77Å; V96-L99 VanDerWaalsContact O-N 3.14Å; L99-S102 CarbonylContact O-C 3.44Å; L99-S102 PolarHBondContact O-N 3.18Å; L99-R103 PolarHBondContact O-N 2.82Å; L99-F104 HydrophobicContact CD2-CB 4.25Å; L99-F104 HydrophobicContact CD2-CD2 4.1Å; L99-F104 PolarHBondContact O-N 3.34Å; L99-Y106 HydrophobicContact CB-CD1 4.21Å; L99-Y106 HydrophobicContact CD1-CG 4.33Å; L99-I289 HydrophobicContact CD2-CD1 3.84Å
100E94.8Very high95.2Very high27 Ų2742.1 Ų42.113%0.12621%0.214CC..Hα-helixtrans-62.8-47.2176.9-75178.8163.600112.2V96 S102 R103 Y106 R459 Y460V96-E100 HydrophobicContact CG1-CG 4.04Å; V96-E100 WeakPolarHBondContact CG1-OE1 3.26Å; V96-E100 WeakPolarHBondContact O-CB 3.34Å; V96-E100 WeakPolarHBondContact O-CG 3.33Å; V96-E100 PolarHBondContact O-N 2.83Å; E100-S102 PolarHBondContact O-N 3.48Å; E100-R103 WeakPolarHBondContact O-CA 3.04Å; E100-R103 PolarHBondContact O-N 3.24Å; E100-Y106 HydrophobicContact CG-CE1 3.54Å; E100-Y106 PolarHBondContact OE1-OH 3.03Å; E100-R459 WeakPolarHBondContact OE2-CD 3.06Å; E100-R459 IonicContact OE2-CZ 2.65Å; E100-R459 IonicContact OE2-NE 2.97Å; E100-R459 PolarHBondContact OE2-NE 3.32Å; E100-R459 IonicContact OE2-NH2 4Å; E100-Y460 HydrophobicContact CB-CE1 4.48Å; E100-Y460 HydrophobicContact CG-CE1 4.35Å; E100-Y460 PolarHBondContact OE1-OH 3.4Å; E100-Y460 WeakPolarHBondContact OE2-CE1 3.34Å; E100-Y460 PolarHBondContact OE2-OH 3.04Å
101S93.9Very high94.6Very high14 Ų1439.1 Ų39.110%0.09819%0.189CC..Hα-helixtrans-62.5-34.9178.3-55.20000111.5T97 R103 R459T97-S101 WeakPolarHBondContact O-CB 3.48Å; T97-S101 PolarHBondContact O-N 3.44Å; T97-S101 PolarHBondContact O-OG 3.15Å; S101-R103 VanDerWaalsContact C-N 3.27Å; S101-R103 PolarHBondContact O-N 2.81Å; S101-R459 WeakPolarHBondContact OG-CB 3.41Å
102S94.1Very high93.3Very high6 Ų638.6 Ų38.64%0.04219%0.187CC..THydrogen-bonded Turntrans-81.1-4.4175.5-510000113.6V98 L99 E100 F104V98-S102 WeakPolarHBondContact O-CB 3.41Å; V98-S102 PolarHBondContact O-N 2.85Å; V98-S102 PolarHBondContact O-OG 2.95Å; L99-S102 CarbonylContact O-C 3.44Å; L99-S102 PolarHBondContact O-N 3.18Å; E100-S102 PolarHBondContact O-N 3.48Å; S102-F104 VanDerWaalsContact C-N 3.26Å; S102-F104 VanDerWaalsContact O-CD1 3.31Å; S102-F104 WeakPolarHBondContact O-CD1 3.01Å; S102-F104 WeakPolarHBondContact O-CE1 3.42Å; S102-F104 PolarHBondContact O-N 3.38Å
103R92.9Very high91.8Very high79 Ų7941.6 Ų41.630%0.29822%0.218SC..THydrogen-bonded Turntrans5932.4-176.6-51.3177-172.2-86-9.3113.6L99 E100 S101 R461 F565L99-R103 PolarHBondContact O-N 2.82Å; E100-R103 WeakPolarHBondContact O-CA 3.04Å; E100-R103 PolarHBondContact O-N 3.24Å; S101-R103 VanDerWaalsContact C-N 3.27Å; S101-R103 PolarHBondContact O-N 2.81Å; R103-R461 PolarHBondContact NH2-O 3.5Å; R103-F565 VanDerWaalsContact CD-CE1 3.43Å
104F95.1Very high90.1Very high25 Ų2548 Ų4811%0.1124%0.244CC..  trans-86.9134.4175.1-60.6-21.3000110.3L99 S102 I289 L297 L299L99-F104 HydrophobicContact CD2-CB 4.25Å; L99-F104 HydrophobicContact CD2-CD2 4.1Å; L99-F104 PolarHBondContact O-N 3.34Å; S102-F104 VanDerWaalsContact C-N 3.26Å; S102-F104 VanDerWaalsContact O-CD1 3.31Å; S102-F104 WeakPolarHBondContact O-CD1 3.01Å; S102-F104 WeakPolarHBondContact O-CE1 3.42Å; S102-F104 PolarHBondContact O-N 3.38Å; F104-I289 HydrophobicContact CD2-CG2 4.09Å; F104-I289 HydrophobicContact CE2-CG2 3.9Å; F104-L297 HydrophobicContact CB-CD2 4.29Å; F104-L297 HydrophobicContact CD1-CD2 4.02Å; F104-L297 HydrophobicContact CD2-CB 4.14Å; F104-L297 HydrophobicContact CE1-CB 4.4Å; F104-L297 HydrophobicContact CE2-CB 4Å; F104-L297 HydrophobicContact CG-CB 4.42Å; F104-L297 HydrophobicContact CG-CD2 4.04Å; F104-L297 VanDerWaalsContact CZ-C 3.43Å; F104-L297 HydrophobicContact CZ-CB 4.15Å; F104-L299 HydrophobicContact CE1-CD2 4.43Å; F104-L299 HydrophobicContact CZ-CD2 4.48Å; F104-L299 HydrophobicContact CZ-CG 4.43Å
105Q95.7Very high88.7Confident134 Ų13448.7 Ų48.763%0.62625%0.253SS*.EExtended strand (participates in β ladder)trans-68.9139.5175.8-62.7-61.9-44.500109.5V79 V80V79-Q105 WeakPolarHBondContact CA-O 3.49Å; V79-Q105 HydrophobicContact CG1-CB 4.49Å; V79-Q105 HydrophobicContact CG2-CB 4.07Å; V80-Q105 PolarHBondContact N-O 3.32Å
106Y96.8Very high87.7Confident74 Ų7455 Ų5529%0.2929%0.287SS..EExtended strand (participates in β ladder)trans-143.7159.3-178.869.9-91.8000111.4V80 V96 L99 E100 I108V80-Y106 CarbonylContact O-C 3.48Å; V80-Y106 WeakPolarHBondContact O-CA 3.23Å; V96-Y106 HydrophobicContact CG1-CE1 4.14Å; V96-Y106 HydrophobicContact CG1-CE2 3.98Å; V96-Y106 WeakPolarHBondContact CG1-OH 3.45Å; V96-Y106 HydrophobicContact CG2-CD2 4.46Å; V96-Y106 HydrophobicContact CG2-CE2 4.17Å; L99-Y106 HydrophobicContact CB-CD1 4.21Å; L99-Y106 HydrophobicContact CD1-CG 4.33Å; E100-Y106 HydrophobicContact CG-CE1 3.54Å; E100-Y106 PolarHBondContact OE1-OH 3.03Å; Y106-I108 HydrophobicContact CD2-CD1 4.28Å; Y106-I108 HydrophobicContact CD2-CG1 3.76Å; Y106-I108 HydrophobicContact CE2-CD1 3.7Å; Y106-I108 HydrophobicContact CE2-CG1 3.68Å
107H95.8Very high87.2Confident70 Ų7055.8 Ų55.832%0.32429%0.291SS..EExtended strand (participates in β ladder)trans-131.8124.1172.4-179.2-147000108.2V79 V80 L81 V82 E109 Y128V79-H107 HydrophobicContact CG1-CB 4.3Å; V80-H107 PolarHBondContact O-N 3.5Å; L81-H107 HydrophobicContact CD1-CB 4.35Å; V82-H107 PolarHBondContact N-O 3.26Å; H107-E109 IonicContact CE1-OE2 2.68Å; H107-E109 IonicContact NE2-OE2 3.37Å; H107-Y128 HydrophobicContact CB-CE1 3.83Å; H107-Y128 AromaticContact ND1-CE1 3.89Å; H107-Y128 AromaticContact ND1-CZ 3.73Å; H107-Y128 PolarHBondContact ND1-OH 3.13Å
108I94.6Very high87Confident54 Ų5455 Ų5528%0.27729%0.286SS..EExtended strand (participates in β ladder)trans-94.2132.3177.5-59.4173.4000108.6V82 V84 V96 Y106V82-I108 WeakPolarHBondContact O-CA 3.29Å; V84-I108 HydrophobicContact CB-CG2 4.42Å; V84-I108 HydrophobicContact CG1-CG2 4.02Å; V84-I108 HydrophobicContact CG2-CG2 3.48Å; V84-I108 VanDerWaalsContact CG2-CG2 3.48Å; V96-I108 HydrophobicContact CG2-CD1 3.51Å; V96-I108 HydrophobicContact CG2-CG1 4Å; Y106-I108 HydrophobicContact CD2-CD1 4.28Å; Y106-I108 HydrophobicContact CD2-CG1 3.76Å; Y106-I108 HydrophobicContact CE2-CD1 3.7Å; Y106-I108 HydrophobicContact CE2-CG1 3.68Å
109E93.5Very high86.7Confident63 Ų6359.1 Ų59.129%0.29431%0.311SS..EExtended strand (participates in β ladder)trans-130.5139.5172.9-169.664.6-135.300109.2L81 V82 F83 V84 H107 A111 P118L81-E109 HydrophobicContact CD1-CB 4.19Å; V82-E109 PolarHBondContact O-N 2.95Å; F83-E109 VanDerWaalsContact CA-O 3.32Å; F83-E109 WeakPolarHBondContact CA-O 3.34Å; F83-E109 HydrophobicContact CD1-CB 3.88Å; F83-E109 HydrophobicContact CD1-CG 4.17Å; F83-E109 HydrophobicContact CE1-CB 3.82Å; F83-E109 HydrophobicContact CE1-CG 3.8Å; V84-E109 PolarHBondContact N-O 3.31Å; H107-E109 IonicContact CE1-OE2 2.68Å; H107-E109 IonicContact NE2-OE2 3.37Å; E109-A111 PolarHBondContact O-N 2.8Å; E109-P118 HydrophobicContact CG-CG 4.14Å
110I91.5Very high86.4Confident78 Ų7859.7 Ų59.740%0.431%0.314SS..EExtended strand (participates in β ladder)trans-72.5125.5171.6-62174.6000107.3V84 Q87 P112V84-I110 HydrophobicContact CG2-CG1 4.44Å; V84-I110 CarbonylContact O-C 3.52Å; V84-I110 VanDerWaalsContact O-CA 3.3Å; V84-I110 WeakPolarHBondContact O-CA 3.44Å; Q87-I110 HydrophobicContact CG-CD1 4.24Å; I110-P112 WeakPolarHBondContact O-CD 3.42Å
111A81.6Confident86.3Confident12 Ų1261.9 Ų61.910%0.09933%0.326CS..PPolyproline II helixtrans-51.1116.9-176.400000110.3F83 V84 E109 G113 K138F83-A111 HydrophobicContact CB-CB 4.27Å; V84-A111 PolarHBondContact O-N 3.2Å; E109-A111 PolarHBondContact O-N 2.8Å; A111-G113 PolarHBondContact O-N 2.96Å; A111-K138 HydrophobicContact CB-CB 3.91Å; A111-K138 HydrophobicContact CB-CD 4.29Å; A111-K138 HydrophobicContact CB-CG 3.82Å
112P67.9Low85.9Confident12 Ų1265 Ų658%0.07834%0.342CS..PPolyproline II helixtrans-65.8126.1-171.622.9-31.7000110F83 I110 S115 L117 M142F83-P112 HydrophobicContact CE1-CG 4.44Å; I110-P112 WeakPolarHBondContact O-CD 3.42Å; P112-S115 WeakPolarHBondContact CA-OG 3.41Å; P112-S115 WeakPolarHBondContact CB-O 3.47Å; P112-S115 WeakPolarHBondContact CB-OG 3.4Å; P112-L117 HydrophobicContact CG-CD2 3.94Å; P112-M142 HydrophobicContact CG-CE 4.34Å
113G64.2Low85.2Confident64 Ų6474 Ų7466%0.6638%0.38SS*.SBendtrans-78.5-57.6171.100000111.2A111A111-G113 PolarHBondContact O-N 2.96Å
114K60.8Low84.7Confident205 Ų20577.3 Ų77.389%0.89140%0.404SS*.SBendtrans-133.93.9172.3-68-173.8178.2-178.40112.5
115S65.4Low84.5Confident65 Ų6579.9 Ų79.946%0.45542%0.415SS..SBendtrans-80.7158.8-179.548.20000111P112 N146P112-S115 WeakPolarHBondContact CA-OG 3.41Å; P112-S115 WeakPolarHBondContact CB-O 3.47Å; P112-S115 WeakPolarHBondContact CB-OG 3.4Å; S115-N146 PolarHBondContact O-ND2 3.39Å
116D77Confident84.3Confident134 Ų13473.5 Ų73.572%0.71739%0.385SS*.PPolyproline II helixtrans-66.7149.3178.2-65.6-38.4000111.7
117L86.5Confident84.2Confident19 Ų1972.9 Ų72.910%0.09938%0.384CS..PPolyproline II helixtrans-65.4150.4170.8-75167.2000111F83 P112 M142 N146 L149 L150F83-L117 HydrophobicContact CE1-CD2 4.3Å; F83-L117 HydrophobicContact CZ-CD2 3.76Å; P112-L117 HydrophobicContact CG-CD2 3.94Å; L117-M142 HydrophobicContact CD2-CE 4.18Å; L117-N146 HydrophobicContact CD1-CB 3.87Å; L117-N146 VanDerWaalsContact CD1-O 3.32Å; L117-N146 WeakPolarHBondContact CD1-O 3.34Å; L117-N146 HydrophobicContact CG-CB 4.15Å; L117-L149 HydrophobicContact CD1-CD2 4.34Å; L117-L150 HydrophobicContact CD1-CB 4.11Å
118P90.5Very high84.2Confident19 Ų1970.1 Ų70.112%0.12337%0.371CS..PPolyproline II helixtrans-61.8156.1170.528.5-34.5000109.9L81 F83 E109 L120L81-P118 HydrophobicContact CD1-CG 4.16Å; L81-P118 HydrophobicContact CD2-CG 4.09Å; F83-P118 HydrophobicContact CZ-CG 4.43Å; E109-P118 HydrophobicContact CG-CG 4.14Å; P118-L120 WeakPolarHBondContact O-CG 3.4Å; P118-L120 PolarHBondContact O-N 3.36Å
119V90.7Very high84.3Confident88 Ų8867.9 Ų67.953%0.53336%0.36SS..PPolyproline II helixtrans-57.1116.1178.8179.20000110I121 K127V119-I121 WeakPolarHBondContact CG1-O 3.49Å; V119-K127 WeakPolarHBondContact O-CD 3.2Å
120L92.2Very high84.5Confident12 Ų1264.9 Ų64.96%0.06335%0.346CS..  trans-89.4-22.5-177.6-58.8179.3000113.3L81 P118 K127 Y128 L149 L150 Y153L81-L120 HydrophobicContact CD2-CD2 4.24Å; P118-L120 WeakPolarHBondContact O-CG 3.4Å; P118-L120 PolarHBondContact O-N 3.36Å; L120-K127 PolarHBondContact O-N 3.01Å; L120-Y128 HydrophobicContact CD2-CD2 4.05Å; L120-Y128 HydrophobicContact CD2-CE2 3.96Å; L120-L149 HydrophobicContact CD1-CG 4.4Å; L120-L150 HydrophobicContact CD1-CD1 3.83Å; L120-L150 HydrophobicContact CD2-CD1 4.2Å; L120-Y153 HydrophobicContact CB-CD1 4.48Å; L120-Y153 HydrophobicContact CB-CD2 3.9Å; L120-Y153 HydrophobicContact CB-CE2 4.06Å; L120-Y153 HydrophobicContact CB-CG 4.12Å; L120-Y153 HydrophobicContact CD1-CD1 4.23Å; L120-Y153 HydrophobicContact CD1-CG 3.97Å; L120-Y153 VanDerWaalsContact O-CE2 3.24Å; L120-Y153 WeakPolarHBondContact O-CE2 3.5Å
121I91.9Very high84.8Confident73 Ų7361.1 Ų61.137%0.37433%0.327SS..EExtended strand (participates in β ladder)trans-129.6134.6-174.4-56.4171.8000109.5V119 K125 Y153 Y157V119-I121 WeakPolarHBondContact CG1-O 3.49Å; I121-K125 CarbonylContact C-O 3.59Å; I121-K125 WeakPolarHBondContact CA-O 3.26Å; I121-Y153 HydrophobicContact CG1-CD2 4.08Å; I121-Y153 HydrophobicContact CG1-CE2 4.17Å; I121-Y157 HydrophobicContact CD1-CE2 3.92Å; I121-Y157 HydrophobicContact CG1-CE2 4.17Å
122D85Confident85.6Confident79 Ų7960.6 Ų60.642%0.42232%0.322SS..EExtended strand (participates in β ladder)trans-128.3125.5168.4-177.222.8000109.9N124 K125 K127D122-N124 VanDerWaalsContact C-N 3.26Å; D122-N124 PolarHBondContact O-N 3.42Å; D122-N124 VanDerWaalsContact O-N 3.13Å; D122-K125 PolarHBondContact N-O 2.96Å; D122-K125 WeakPolarHBondContact O-CB 3.46Å; D122-K125 PolarHBondContact O-N 3.09Å; D122-K127 HydrophobicContact CB-CG 4.28Å
123K80.3Confident87Confident194 Ų19460 Ų6084%0.84332%0.319SS*.THydrogen-bonded Turntrans46.145178.8-64.2167.2-173.2174.30113.9K125K123-K125 VanDerWaalsContact C-N 3.27Å; K123-K125 PolarHBondContact O-N 3.01Å
124N82.4Confident88.5Confident149 Ų14957.7 Ų57.780%0.79729%0.291SS*.THydrogen-bonded Turntrans65.817.5-177-61.9-18.9000116D122D122-N124 VanDerWaalsContact C-N 3.26Å; D122-N124 PolarHBondContact O-N 3.42Å; D122-N124 VanDerWaalsContact O-N 3.13Å
125K89.4Confident90.1Very high79 Ų7949.5 Ų49.534%0.34326%0.257SS..EExtended strand (participates in β ladder)trans-112.9135.7170.7-164.7-176.7-174.1-168.20109.5R75 T76 D77 I121 D122 K123R75-K125 WeakPolarHBondContact O-CG 3.46Å; T76-K125 WeakPolarHBondContact O-CE 3.44Å; D77-K125 WeakPolarHBondContact OD1-CE 3.48Å; D77-K125 IonicContact OD1-NZ 2.71Å; D77-K125 PolarHBondContact OD1-NZ 3.08Å; I121-K125 CarbonylContact C-O 3.59Å; I121-K125 WeakPolarHBondContact CA-O 3.26Å; D122-K125 PolarHBondContact N-O 2.96Å; D122-K125 WeakPolarHBondContact O-CB 3.46Å; D122-K125 PolarHBondContact O-N 3.09Å; K123-K125 VanDerWaalsContact C-N 3.27Å; K123-K125 PolarHBondContact O-N 3.01Å
126G92.3Very high91.4Very high0 Ų046.6 Ų46.60%024%0.236CC..EExtended strand (participates in β ladder)trans-70.6136.2173.800000111R75 T76 D77 Y153 Y157R75-G126 PolarHBondContact O-N 3.43Å; T76-G126 CarbonylContact C-O 3.6Å; T76-G126 WeakPolarHBondContact CA-O 3.47Å; D77-G126 PolarHBondContact N-O 2.88Å; G126-Y153 WeakPolarHBondContact CA-OH 3.26Å; G126-Y157 VanDerWaalsContact N-CE1 3.32Å
127K94.4Very high92.1Very high62 Ų6242.4 Ų42.427%0.2721%0.213SC..SBendtrans-78.3-18-177.9-70.5-156.6-175.71750114.8D77 V119 L120 D122 Y153D77-K127 WeakPolarHBondContact CB-O 3.39Å; V119-K127 WeakPolarHBondContact O-CD 3.2Å; L120-K127 PolarHBondContact O-N 3.01Å; D122-K127 HydrophobicContact CB-CG 4.28Å; K127-Y153 PolarHBondContact N-OH 2.89Å
128Y96.2Very high92.4Very high12 Ų1245.6 Ų45.65%0.04723%0.226CC..  trans-130.1139.4-171.9-49.9-71.1000111.3T76 V79 L81 H107 L120 Y153 V159T76-Y128 WeakPolarHBondContact CG2-O 3.03Å; V79-Y128 HydrophobicContact CB-CD1 4.08Å; V79-Y128 HydrophobicContact CG1-CD1 3.92Å; V79-Y128 HydrophobicContact CG1-CE1 4.1Å; V79-Y128 CarbonylContact O-C 3.57Å; V79-Y128 VanDerWaalsContact O-CA 3.25Å; V79-Y128 WeakPolarHBondContact O-CA 3.26Å; L81-Y128 HydrophobicContact CB-CD1 3.68Å; L81-Y128 HydrophobicContact CB-CD2 4.13Å; L81-Y128 HydrophobicContact CB-CE1 4.05Å; L81-Y128 HydrophobicContact CB-CE2 4.46Å; L81-Y128 HydrophobicContact CB-CG 3.72Å; L81-Y128 HydrophobicContact CD1-CE1 4.11Å; L81-Y128 HydrophobicContact CD1-CE2 4.42Å; L81-Y128 HydrophobicContact CD2-CD2 3.97Å; L81-Y128 HydrophobicContact CD2-CE2 3.93Å; L81-Y128 HydrophobicContact CD2-CG 4.42Å; H107-Y128 HydrophobicContact CB-CE1 3.83Å; H107-Y128 AromaticContact ND1-CE1 3.89Å; H107-Y128 AromaticContact ND1-CZ 3.73Å; H107-Y128 PolarHBondContact ND1-OH 3.13Å; L120-Y128 HydrophobicContact CD2-CD2 4.05Å; L120-Y128 HydrophobicContact CD2-CE2 3.96Å; Y128-Y153 PolarHBondContact N-OH 3.04Å; Y128-Y153 PolarHBondContact O-OH 3.37Å; Y128-V159 VanDerWaalsContact O-CG2 3.31Å; Y128-V159 WeakPolarHBondContact O-CG2 3.37Å
129A95.6Very high92.5Very high6 Ų644.7 Ų44.75%0.0522%0.22CC..SBendtrans-95.7-15.917600000112.8D77 L78 V79D77-A129 WeakPolarHBondContact O-CB 3.29Å; D77-A129 PolarHBondContact O-N 3.4Å; L78-A129 HydrophobicContact CD2-CB 4.47Å; V79-A129 PolarHBondContact O-N 3.06Å
130L97.6Very high92.5Very high0 Ų041.1 Ų41.10%020%0.198CC..EExtended strand (participates in β ladder)trans-154.7145-177.1-176.468.9000109.4V80 L81 V132 I162 I289 L292V80-L130 WeakPolarHBondContact CA-O 3.18Å; V80-L130 HydrophobicContact CG1-CB 4.31Å; V80-L130 HydrophobicContact CG1-CD2 4.2Å; V80-L130 HydrophobicContact CG1-CG 4.38Å; V80-L130 HydrophobicContact CG2-CB 4.31Å; V80-L130 HydrophobicContact CG2-CD2 4.35Å; L81-L130 PolarHBondContact N-O 3.35Å; L130-V132 HydrophobicContact CD2-CG2 4.21Å; L130-V132 HydrophobicContact CG-CG2 4.35Å; L130-I162 HydrophobicContact CD1-CD1 4.44Å; L130-I162 HydrophobicContact CD1-CG1 4.38Å; L130-I162 HydrophobicContact CD2-CD1 4.03Å; L130-I289 HydrophobicContact CD2-CB 4.13Å; L130-I289 HydrophobicContact CD2-CG1 3.85Å; L130-I289 HydrophobicContact CD2-CG2 4.02Å; L130-L292 HydrophobicContact CD1-CB 3.57Å; L130-L292 HydrophobicContact CD1-CD1 4.11Å
131I98.1Very high92.4Very high0 Ų045.6 Ų45.60%022%0.223CC..EExtended strand (participates in β ladder)trans-118134.2172.3-60.8159.8000109.2L81 F83 Y133 L150 Y153 V159 G160 V161 I162L81-I131 HydrophobicContact CB-CG1 4.25Å; L81-I131 HydrophobicContact CD2-CG1 4.45Å; L81-I131 CarbonylContact O-C 3.38Å; L81-I131 WeakPolarHBondContact O-CA 3.47Å; F83-I131 HydrophobicContact CD2-CG2 3.87Å; F83-I131 HydrophobicContact CE2-CG2 3.93Å; I131-Y133 HydrophobicContact CG2-CD2 3.94Å; I131-Y133 HydrophobicContact CG2-CE2 3.52Å; I131-L150 HydrophobicContact CD1-CD1 3.7Å; I131-L150 HydrophobicContact CD1-CG 4.28Å; I131-Y153 HydrophobicContact CD1-CD1 4.44Å; I131-Y153 HydrophobicContact CD1-CE1 4.5Å; I131-V159 HydrophobicContact CD1-CG1 3.93Å; I131-V159 HydrophobicContact CG1-CG1 3.94Å; I131-G160 PolarHBondContact N-O 3.27Å; I131-G160 VanDerWaalsContact N-O 3.13Å; I131-V161 HydrophobicContact CB-CG2 4.5Å; I131-V161 CarbonylContact O-C 3.54Å; I131-V161 WeakPolarHBondContact O-CA 3.2Å; I131-I162 PolarHBondContact O-N 3.43Å
132V98.4Very high92.3Very high0 Ų042.9 Ų42.90%021%0.209CC..EExtended strand (participates in β ladder)trans-122.3129.8175.8-175.50000109.6V80 L81 V82 F83 I95 L130 I162 F164 F285V80-V132 HydrophobicContact CG1-CG2 3.76Å; L81-V132 PolarHBondContact O-N 3.27Å; V82-V132 CarbonylContact C-O 3.58Å; V82-V132 WeakPolarHBondContact CA-O 3.47Å; F83-V132 PolarHBondContact N-O 3.09Å; I95-V132 HydrophobicContact CD1-CG1 3.92Å; I95-V132 HydrophobicContact CG2-CG1 4.23Å; L130-V132 HydrophobicContact CD2-CG2 4.21Å; L130-V132 HydrophobicContact CG-CG2 4.35Å; V132-I162 CarbonylContact C-O 3.57Å; V132-I162 WeakPolarHBondContact CA-O 3.5Å; V132-I162 HydrophobicContact CG1-CB 4.23Å; V132-I162 HydrophobicContact CG1-CG2 4.36Å; V132-I162 HydrophobicContact CG2-CB 4.12Å; V132-I162 HydrophobicContact CG2-CD1 4.33Å; V132-F164 HydrophobicContact CG1-CE2 4.04Å; V132-F285 HydrophobicContact CG1-CE2 4.2Å; V132-F285 HydrophobicContact CG1-CZ 4.49Å; V132-F285 HydrophobicContact CG2-CE2 4.46Å
133Y97.3Very high92.6Very high1 Ų142 Ų420%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-110117.4172.3-78.9-87.5000109.9F83 I131 N135 K138 Y139 M142 L150 V161 I162 F164F83-Y133 HydrophobicContact CB-CD1 3.56Å; F83-Y133 HydrophobicContact CB-CE1 3.63Å; F83-Y133 HydrophobicContact CB-CG 4.26Å; F83-Y133 AromaticContact CD2-CD1 3.99Å; F83-Y133 HydrophobicContact CD2-CD1 3.99Å; F83-Y133 HydrophobicContact CD2-CD2 4.37Å; F83-Y133 AromaticContact CD2-CE1 3.36Å; F83-Y133 HydrophobicContact CD2-CE1 3.36Å; F83-Y133 AromaticContact CD2-CE2 3.82Å; F83-Y133 HydrophobicContact CD2-CE2 3.82Å; F83-Y133 HydrophobicContact CD2-CG 4.44Å; F83-Y133 AromaticContact CD2-CZ 3.25Å; F83-Y133 WeakPolarHBondContact CD2-OH 3.31Å; F83-Y133 HydrophobicContact CE2-CE1 4.1Å; F83-Y133 HydrophobicContact CE2-CE2 4.28Å; F83-Y133 AromaticContact CE2-CZ 3.65Å; F83-Y133 VanDerWaalsContact CE2-OH 3.25Å; F83-Y133 WeakPolarHBondContact CE2-OH 3.33Å; F83-Y133 HydrophobicContact CG-CD1 4.06Å; F83-Y133 AromaticContact CG-CE1 3.59Å; F83-Y133 HydrophobicContact CG-CE1 3.59Å; F83-Y133 AromaticContact CG-CZ 3.99Å; I131-Y133 HydrophobicContact CG2-CD2 3.94Å; I131-Y133 HydrophobicContact CG2-CE2 3.52Å; Y133-N135 PolarHBondContact O-N 3.33Å; Y133-K138 HydrophobicContact CD1-CB 4.39Å; Y133-Y139 HydrophobicContact CD2-CG 4.36Å; Y133-Y139 AromaticContact CE2-CD2 3.71Å; Y133-Y139 HydrophobicContact CE2-CD2 3.71Å; Y133-Y139 AromaticContact CE2-CG 3.98Å; Y133-Y139 HydrophobicContact CE2-CG 3.98Å; Y133-Y139 AromaticContact CZ-CD2 3.84Å; Y133-M142 WeakPolarHBondContact OH-CE 3.3Å; Y133-L150 HydrophobicContact CE2-CD2 4.34Å; Y133-L150 WeakPolarHBondContact OH-CD2 3.31Å; Y133-V161 HydrophobicContact CD2-CG1 3.83Å; Y133-V161 HydrophobicContact CE2-CG1 4.22Å; Y133-I162 PolarHBondContact N-O 3.12Å; Y133-F164 WeakPolarHBondContact O-CD2 3.43Å; Y133-F164 PolarHBondContact O-N 3.48Å
134E95.8Very high93Very high15 Ų1538 Ų387%0.0720%0.2CC..SBendtrans-64.3-21.9171.482.5173.2-155.900112.7F83 V84 E85 S89 L91 G92 I95 F164F83-E134 PolarHBondContact O-N 2.76Å; V84-E134 VanDerWaalsContact CA-CD 3.43Å; V84-E134 WeakPolarHBondContact CA-OE2 3.09Å; V84-E134 WeakPolarHBondContact CB-OE2 3.35Å; V84-E134 WeakPolarHBondContact CG1-OE2 3.43Å; E85-E134 WeakPolarHBondContact CA-OE1 3.43Å; E85-E134 WeakPolarHBondContact CB-OE1 3.38Å; E85-E134 HydrophobicContact CG-CG 4.19Å; E85-E134 VanDerWaalsContact CG-OE1 3.24Å; E85-E134 WeakPolarHBondContact CG-OE1 3.46Å; E85-E134 PolarHBondContact N-OE1 3.45Å; S89-E134 WeakPolarHBondContact CB-OE1 3.5Å; S89-E134 VanDerWaalsContact CB-OE2 3.31Å; S89-E134 WeakPolarHBondContact CB-OE2 3.46Å; S89-E134 VanDerWaalsContact OG-CD 3.27Å; S89-E134 PolarHBondContact OG-OE1 3.43Å; S89-E134 PolarHBondContact OG-OE2 3.2Å; L91-E134 HydrophobicContact CD2-CB 4.21Å; L91-E134 WeakPolarHBondContact CD2-O 3.45Å; L91-E134 HydrophobicContact CG-CB 4.22Å; G92-E134 VanDerWaalsContact CA-OE2 3.25Å; G92-E134 WeakPolarHBondContact CA-OE2 3.36Å; G92-E134 PolarHBondContact N-OE2 2.93Å; I95-E134 HydrophobicContact CD1-CB 4.17Å; E134-F164 WeakPolarHBondContact O-CB 3.45Å
135N94.1Very high93.4Very high33 Ų3340.2 Ų40.218%0.17620%0.198CC..  trans-138.1106.3172.3-176-5.8000109.6E85 Y133 L137 K138 F164E85-N135 HydrophobicContact CG-CB 4.26Å; E85-N135 PolarHBondContact OE1-ND2 3.02Å; Y133-N135 PolarHBondContact O-N 3.33Å; N135-L137 PolarHBondContact O-N 3.09Å; N135-L137 VanDerWaalsContact O-N 3.15Å; N135-L137 VanDerWaalsContact OD1-CB 3.23Å; N135-L137 WeakPolarHBondContact OD1-CB 3.38Å; N135-L137 WeakPolarHBondContact OD1-CG 3.4Å; N135-L137 PolarHBondContact OD1-N 2.84Å; N135-K138 HydrophobicContact CB-CG 4.2Å; N135-K138 WeakPolarHBondContact O-CB 2.98Å; N135-K138 PolarHBondContact O-N 3.14Å; N135-F164 CarbonylContact C-O 3.53Å; N135-F164 WeakPolarHBondContact CA-O 3.47Å
136I94.1Very high93.4Very high4 Ų436.9 Ų36.92%0.02118%0.183CC..Hα-helixtrans-62.4-22.3-179.2-166.461.3000112.5K138 Y139 V140 F164 H165 L271I136-K138 PolarHBondContact O-N 3.1Å; I136-Y139 HydrophobicContact CD1-CD1 3.61Å; I136-Y139 HydrophobicContact CD1-CE1 4.48Å; I136-Y139 HydrophobicContact CD1-CG 4.18Å; I136-Y139 WeakPolarHBondContact O-CB 3.42Å; I136-Y139 PolarHBondContact O-N 3.29Å; I136-V140 HydrophobicContact CG1-CG2 4.47Å; I136-V140 WeakPolarHBondContact O-CG2 3.27Å; I136-V140 PolarHBondContact O-N 2.73Å; I136-F164 WeakPolarHBondContact CG2-O 3.49Å; I136-F164 PolarHBondContact N-O 3.02Å; I136-H165 HydrophobicContact CG2-CB 3.87Å; I136-L271 HydrophobicContact CD1-CD2 3.93Å; I136-L271 HydrophobicContact CG1-CD2 3.93Å
137L92.3Very high93.4Very high45 Ų4538.8 Ų38.824%0.23619%0.191CC..Hα-helixtrans-63.1-25.9175.7-58.7-179.9000112.1N135 V140 N141 L177N135-L137 PolarHBondContact O-N 3.09Å; N135-L137 VanDerWaalsContact O-N 3.15Å; N135-L137 VanDerWaalsContact OD1-CB 3.23Å; N135-L137 WeakPolarHBondContact OD1-CB 3.38Å; N135-L137 WeakPolarHBondContact OD1-CG 3.4Å; N135-L137 PolarHBondContact OD1-N 2.84Å; L137-V140 PolarHBondContact O-N 2.03Å; L137-N141 VanDerWaalsContact O-CB 3.23Å; L137-N141 WeakPolarHBondContact O-CB 3.44Å; L137-N141 PolarHBondContact O-N 3.49Å; L137-N141 PolarHBondContact O-ND2 2.84Å; L137-N141 VanDerWaalsContact O-ND2 3.09Å; L137-L177 HydrophobicContact CD2-CD1 3.67Å
138K92.4Very high93.3Very high87 Ų8737.7 Ų37.738%0.37820%0.197SC..Hα-helixtrans-67.9-37.3173.7-60.6-63.3-175.7179.50112E85 A111 Y133 N135 I136 M142E85-K138 WeakPolarHBondContact OE1-CE 3.34Å; E85-K138 IonicContact OE1-NZ 3.67Å; A111-K138 HydrophobicContact CB-CB 3.91Å; A111-K138 HydrophobicContact CB-CD 4.29Å; A111-K138 HydrophobicContact CB-CG 3.82Å; Y133-K138 HydrophobicContact CD1-CB 4.39Å; N135-K138 HydrophobicContact CB-CG 4.2Å; N135-K138 WeakPolarHBondContact O-CB 2.98Å; N135-K138 PolarHBondContact O-N 3.14Å; I136-K138 PolarHBondContact O-N 3.1Å; K138-M142 WeakPolarHBondContact O-CB 3.43Å; K138-M142 PolarHBondContact O-N 3.12Å
139Y91.6Very high93.2Very high0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-69-39.6174.1175.7-118.5000111.9Y133 I136 R147 L150 D151 R269Y133-Y139 HydrophobicContact CD2-CG 4.36Å; Y133-Y139 AromaticContact CE2-CD2 3.71Å; Y133-Y139 HydrophobicContact CE2-CD2 3.71Å; Y133-Y139 AromaticContact CE2-CG 3.98Å; Y133-Y139 HydrophobicContact CE2-CG 3.98Å; Y133-Y139 AromaticContact CZ-CD2 3.84Å; I136-Y139 HydrophobicContact CD1-CD1 3.61Å; I136-Y139 HydrophobicContact CD1-CE1 4.48Å; I136-Y139 HydrophobicContact CD1-CG 4.18Å; I136-Y139 WeakPolarHBondContact O-CB 3.42Å; I136-Y139 PolarHBondContact O-N 3.29Å; Y139-R147 VanDerWaalsContact CE2-NH1 3.29Å; Y139-R147 PolarHBondContact O-NH1 3.18Å; Y139-R147 PolarHBondContact OH-NH2 3.46Å; Y139-L150 HydrophobicContact CD2-CD2 3.99Å; Y139-L150 HydrophobicContact CE2-CD2 3.89Å; Y139-D151 PolarHBondContact OH-OD1 3.22Å; Y139-R269 PolarHBondContact OH-NH2 3.03Å
140V91.1Very high93.1Very high12 Ų1240.8 Ų40.87%0.07321%0.213CC..Hα-helixtrans-74.8-35.2-177.8173.30000113.1I136 L137 L177 K178 F180I136-V140 HydrophobicContact CG1-CG2 4.47Å; I136-V140 WeakPolarHBondContact O-CG2 3.27Å; I136-V140 PolarHBondContact O-N 2.73Å; L137-V140 PolarHBondContact O-N 2.03Å; V140-L177 HydrophobicContact CG1-CD1 4.46Å; V140-L177 HydrophobicContact CG2-CD1 4.09Å; V140-L177 HydrophobicContact CG2-CD2 4.36Å; V140-L177 HydrophobicContact CG2-CG 4.16Å; V140-K178 HydrophobicContact CG1-CB 3.59Å; V140-K178 HydrophobicContact CG1-CD 4.41Å; V140-K178 HydrophobicContact CG1-CG 4.31Å; V140-K178 VanDerWaalsContact CG1-O 3.26Å; V140-K178 WeakPolarHBondContact CG1-O 3.48Å; V140-F180 HydrophobicContact CG2-CD2 4.47Å; V140-F180 HydrophobicContact CG2-CE2 3.84Å
141N90.9Very high93Very high107 Ų10742.3 Ų42.357%0.57222%0.221SC*.SBendtrans-95.75.5-179.3-63.3-41.9000113.4L137L137-N141 VanDerWaalsContact O-CB 3.23Å; L137-N141 WeakPolarHBondContact O-CB 3.44Å; L137-N141 PolarHBondContact O-N 3.49Å; L137-N141 PolarHBondContact O-ND2 2.84Å; L137-N141 VanDerWaalsContact O-ND2 3.09Å
142M90Very high92.9Very high16 Ų1648.9 Ų48.98%0.07925%0.249CC..SBendtrans-57.6146.6172.4-170.8176.7-71.200110.4P112 L117 Y133 K138 N146 R147 L150P112-M142 HydrophobicContact CG-CE 4.34Å; L117-M142 HydrophobicContact CD2-CE 4.18Å; Y133-M142 WeakPolarHBondContact OH-CE 3.3Å; K138-M142 WeakPolarHBondContact O-CB 3.43Å; K138-M142 PolarHBondContact O-N 3.12Å; M142-N146 HydrophobicContact CG-CB 3.78Å; M142-N146 VanDerWaalsContact SD-C 3.57Å; M142-N146 HydrophobicContact SD-CB 3.67Å; M142-R147 HydrophobicContact CB-CB 4.24Å; M142-R147 HydrophobicContact CG-CB 4.21Å; M142-R147 HydrophobicContact SD-CB 4.21Å; M142-R147 PolarHBondContact SD-N 3.13Å; M142-L150 HydrophobicContact CE-CD2 4.41Å
143D89.8Confident92.7Very high60 Ų6049.1 Ų49.132%0.32125%0.251SS..  trans-60.6152.6173.76890.2000111.1W145 N146 R147D143-W145 PolarHBondContact O-N 2.81Å; D143-W145 WeakPolarHBondContact OD1-CB 3.14Å; D143-W145 PolarHBondContact OD1-N 3.45Å; D143-N146 PolarHBondContact O-N 3.02Å; D143-N146 PolarHBondContact OD1-N 3.31Å; D143-N146 WeakPolarHBondContact OD2-CB 3.04Å; D143-N146 PolarHBondContact OD2-ND2 2.85Å; D143-R147 WeakPolarHBondContact O-CB 3.21Å; D143-R147 PolarHBondContact O-N 2.71Å
144S89.1Confident92.6Very high110 Ų11049.2 Ų49.277%0.76925%0.251SS*.Hα-helixtrans-62.2-28.8-172.152.40000113.7G148S144-G148 PolarHBondContact O-N 2.71Å
145W90Very high92.6Very high196 Ų19652.3 Ų52.374%0.74227%0.271SS*.Hα-helixtrans-72.4-56.8-179.5174.7-96.3000111.2D143 R147 G148 L149D143-W145 PolarHBondContact O-N 2.81Å; D143-W145 WeakPolarHBondContact OD1-CB 3.14Å; D143-W145 PolarHBondContact OD1-N 3.45Å; W145-R147 VanDerWaalsContact C-N 3.25Å; W145-R147 PolarHBondContact O-N 2.7Å; W145-G148 PolarHBondContact O-N 3.47Å; W145-L149 PolarHBondContact O-N 2.93Å
146N90.9Very high92.5Very high8 Ų854.6 Ų54.64%0.04328%0.28CS..Hα-helixtrans-60.8-39.8177.4-78.1-38.4000111S115 L117 M142 D143 G148 L149 L150S115-N146 PolarHBondContact O-ND2 3.39Å; L117-N146 HydrophobicContact CD1-CB 3.87Å; L117-N146 VanDerWaalsContact CD1-O 3.32Å; L117-N146 WeakPolarHBondContact CD1-O 3.34Å; L117-N146 HydrophobicContact CG-CB 4.15Å; M142-N146 HydrophobicContact CG-CB 3.78Å; M142-N146 VanDerWaalsContact SD-C 3.57Å; M142-N146 HydrophobicContact SD-CB 3.67Å; D143-N146 PolarHBondContact O-N 3.02Å; D143-N146 PolarHBondContact OD1-N 3.31Å; D143-N146 WeakPolarHBondContact OD2-CB 3.04Å; D143-N146 PolarHBondContact OD2-ND2 2.85Å; N146-G148 PolarHBondContact O-N 3.28Å; N146-L149 PolarHBondContact O-N 3.43Å; N146-L150 WeakPolarHBondContact O-CB 3.43Å; N146-L150 PolarHBondContact O-N 3.44Å
147R91.5Very high92.4Very high41 Ų4155.1 Ų55.116%0.15528%0.282CS..Hα-helixtrans-61.1-46.5176.4179.557.3-169.7-120.5-1.8111.9Y139 M142 D143 W145 L149 L150 D151Y139-R147 VanDerWaalsContact CE2-NH1 3.29Å; Y139-R147 PolarHBondContact O-NH1 3.18Å; Y139-R147 PolarHBondContact OH-NH2 3.46Å; M142-R147 HydrophobicContact CB-CB 4.24Å; M142-R147 HydrophobicContact CG-CB 4.21Å; M142-R147 HydrophobicContact SD-CB 4.21Å; M142-R147 PolarHBondContact SD-N 3.13Å; D143-R147 WeakPolarHBondContact O-CB 3.21Å; D143-R147 PolarHBondContact O-N 2.71Å; W145-R147 VanDerWaalsContact C-N 3.25Å; W145-R147 PolarHBondContact O-N 2.7Å; R147-L149 PolarHBondContact O-N 2.94Å; R147-L150 PolarHBondContact O-N 3.03Å; R147-D151 IonicContact CZ-OD1 3.92Å; R147-D151 IonicContact CZ-OD2 3.8Å; R147-D151 IonicContact NE-OD1 3.68Å; R147-D151 PolarHBondContact NE-OD1 3.17Å; R147-D151 IonicContact NE-OD2 3.89Å; R147-D151 PolarHBondContact NE-OD2 3.07Å; R147-D151 IonicContact NH2-OD1 2.81Å; R147-D151 IonicContact NH2-OD2 2.89Å; R147-D151 PolarHBondContact NH2-OD2 3.31Å; R147-D151 WeakPolarHBondContact O-CB 3.43Å; R147-D151 PolarHBondContact O-N 3.33Å
148G93.1Very high92.4Very high38 Ų3854.7 Ų54.739%0.39229%0.289SS..Hα-helixtrans-63.5-38.6177.300000113S144 W145 N146 K152S144-G148 PolarHBondContact O-N 2.71Å; W145-G148 PolarHBondContact O-N 3.47Å; N146-G148 PolarHBondContact O-N 3.28Å; G148-K152 VanDerWaalsContact O-CB 3.24Å; G148-K152 WeakPolarHBondContact O-CB 3.42Å; G148-K152 PolarHBondContact O-N 3.29Å
149L93.2Very high92.5Very high83 Ų8350.8 Ų50.844%0.43527%0.272SS..Hα-helixtrans-63.2-46.5175.7-177.565.5000111.5L117 L120 W145 N146 R147 Y153L117-L149 HydrophobicContact CD1-CD2 4.34Å; L120-L149 HydrophobicContact CD1-CG 4.4Å; W145-L149 PolarHBondContact O-N 2.93Å; N146-L149 PolarHBondContact O-N 3.43Å; R147-L149 PolarHBondContact O-N 2.94Å; L149-Y153 WeakPolarHBondContact O-CB 3.32Å; L149-Y153 PolarHBondContact O-N 2.9Å
150L94.3Very high92.8Very high0 Ų050.9 Ų50.90%027%0.273CS..Hα-helixtrans-67.1-44.6179.9-167.967.3000111.9L117 L120 I131 Y133 Y139 M142 N146 R147 K152 Y153 C154L117-L150 HydrophobicContact CD1-CB 4.11Å; L120-L150 HydrophobicContact CD1-CD1 3.83Å; L120-L150 HydrophobicContact CD2-CD1 4.2Å; I131-L150 HydrophobicContact CD1-CD1 3.7Å; I131-L150 HydrophobicContact CD1-CG 4.28Å; Y133-L150 HydrophobicContact CE2-CD2 4.34Å; Y133-L150 WeakPolarHBondContact OH-CD2 3.31Å; Y139-L150 HydrophobicContact CD2-CD2 3.99Å; Y139-L150 HydrophobicContact CE2-CD2 3.89Å; M142-L150 HydrophobicContact CE-CD2 4.41Å; N146-L150 WeakPolarHBondContact O-CB 3.43Å; N146-L150 PolarHBondContact O-N 3.44Å; R147-L150 PolarHBondContact O-N 3.03Å; L150-K152 VanDerWaalsContact C-N 3.34Å; L150-K152 PolarHBondContact O-N 3.21Å; L150-Y153 WeakPolarHBondContact O-CB 3.38Å; L150-Y153 PolarHBondContact O-N 3.34Å; L150-C154 PolarHBondContact O-N 3.25Å; L150-C154 PolarHBondContact O-SG 3.2Å
151D95.4Very high93.1Very high33 Ų3350.3 Ų50.318%0.17627%0.27CS..Hα-helixtrans-63.9-41.3178.1-75.6-6000111.1Y139 R147 Y153 C154 V155 I267Y139-D151 PolarHBondContact OH-OD1 3.22Å; R147-D151 IonicContact CZ-OD1 3.92Å; R147-D151 IonicContact CZ-OD2 3.8Å; R147-D151 IonicContact NE-OD1 3.68Å; R147-D151 PolarHBondContact NE-OD1 3.17Å; R147-D151 IonicContact NE-OD2 3.89Å; R147-D151 PolarHBondContact NE-OD2 3.07Å; R147-D151 IonicContact NH2-OD1 2.81Å; R147-D151 IonicContact NH2-OD2 2.89Å; R147-D151 PolarHBondContact NH2-OD2 3.31Å; R147-D151 WeakPolarHBondContact O-CB 3.43Å; R147-D151 PolarHBondContact O-N 3.33Å; D151-Y153 VanDerWaalsContact C-N 3.32Å; D151-Y153 PolarHBondContact O-N 2.93Å; D151-C154 PolarHBondContact O-N 2.92Å; D151-V155 WeakPolarHBondContact O-CG2 3.4Å; D151-V155 PolarHBondContact O-N 2.88Å; D151-I267 HydrophobicContact CB-CD1 3.74Å; D151-I267 WeakPolarHBondContact OD1-CD1 3.35Å
152K95.2Very high93.4Very high137 Ų13745.2 Ų45.260%0.59624%0.243SC*.Hα-helixtrans-59.4-44.1173.1-178.4177.9177.4-177.70111.4G148 L150 V155 E156G148-K152 VanDerWaalsContact O-CB 3.24Å; G148-K152 WeakPolarHBondContact O-CB 3.42Å; G148-K152 PolarHBondContact O-N 3.29Å; L150-K152 VanDerWaalsContact C-N 3.34Å; L150-K152 PolarHBondContact O-N 3.21Å; K152-V155 PolarHBondContact O-N 3.18Å; K152-E156 WeakPolarHBondContact O-CB 3.29Å; K152-E156 PolarHBondContact O-N 2.81Å
153Y95.4Very high93.8Very high6 Ų644.5 Ų44.52%0.02424%0.239CC..Hα-helixtrans-59.5-48175.3174.1-103.5000111.7L120 I121 G126 K127 Y128 I131 L149 L150 D151 V155 E156 Y157 V159L120-Y153 HydrophobicContact CB-CD1 4.48Å; L120-Y153 HydrophobicContact CB-CD2 3.9Å; L120-Y153 HydrophobicContact CB-CE2 4.06Å; L120-Y153 HydrophobicContact CB-CG 4.12Å; L120-Y153 HydrophobicContact CD1-CD1 4.23Å; L120-Y153 HydrophobicContact CD1-CG 3.97Å; L120-Y153 VanDerWaalsContact O-CE2 3.24Å; L120-Y153 WeakPolarHBondContact O-CE2 3.5Å; I121-Y153 HydrophobicContact CG1-CD2 4.08Å; I121-Y153 HydrophobicContact CG1-CE2 4.17Å; G126-Y153 WeakPolarHBondContact CA-OH 3.26Å; K127-Y153 PolarHBondContact N-OH 2.89Å; Y128-Y153 PolarHBondContact N-OH 3.04Å; Y128-Y153 PolarHBondContact O-OH 3.37Å; I131-Y153 HydrophobicContact CD1-CD1 4.44Å; I131-Y153 HydrophobicContact CD1-CE1 4.5Å; L149-Y153 WeakPolarHBondContact O-CB 3.32Å; L149-Y153 PolarHBondContact O-N 2.9Å; L150-Y153 WeakPolarHBondContact O-CB 3.38Å; L150-Y153 PolarHBondContact O-N 3.34Å; D151-Y153 VanDerWaalsContact C-N 3.32Å; D151-Y153 PolarHBondContact O-N 2.93Å; Y153-V155 PolarHBondContact O-N 3.26Å; Y153-E156 PolarHBondContact O-N 2.8Å; Y153-Y157 AromaticContact CD2-CD2 3.47Å; Y153-Y157 HydrophobicContact CD2-CD2 3.47Å; Y153-Y157 VanDerWaalsContact CD2-CD2 3.47Å; Y153-Y157 AromaticContact CD2-CE2 3.89Å; Y153-Y157 HydrophobicContact CD2-CE2 3.89Å; Y153-Y157 HydrophobicContact CD2-CG 4.19Å; Y153-Y157 AromaticContact CE2-CD2 3.64Å; Y153-Y157 HydrophobicContact CE2-CD2 3.64Å; Y153-Y157 HydrophobicContact CE2-CE2 4.1Å; Y153-Y157 AromaticContact CE2-CG 3.92Å; Y153-Y157 HydrophobicContact CE2-CG 3.92Å; Y153-Y157 HydrophobicContact CG-CD2 4.36Å; Y153-Y157 WeakPolarHBondContact O-CB 3.47Å; Y153-Y157 WeakPolarHBondContact O-CD2 3.13Å; Y153-Y157 PolarHBondContact O-N 2.87Å; Y153-V159 HydrophobicContact CD1-CG2 4.5Å; Y153-V159 HydrophobicContact CE1-CB 4.3Å; Y153-V159 HydrophobicContact CE1-CG1 4.41Å; Y153-V159 HydrophobicContact CE1-CG2 3.82Å
154C95.3Very high94.2Very high2 Ų241.7 Ų41.71%0.01422%0.224CC..Hα-helixtrans-58.8-45.2178-68.30000112.5L150 D151 G158 V159 I267L150-C154 PolarHBondContact O-N 3.25Å; L150-C154 PolarHBondContact O-SG 3.2Å; D151-C154 PolarHBondContact O-N 2.92Å; C154-G158 CarbonylContact O-C 3.2Å; C154-G158 WeakPolarHBondContact O-CA 3.18Å; C154-G158 PolarHBondContact O-N 3.24Å; C154-V159 WeakPolarHBondContact CB-O 3.45Å; C154-V159 PolarHBondContact O-N 2.81Å; C154-I267 HydrophobicContact CB-CD1 3.82Å; C154-I267 HydrophobicContact CB-CG1 3.83Å; C154-I267 HydrophobicContact CB-CG2 4.12Å
155V94.4Very high94.4Very high80 Ų8036.8 Ų36.849%0.48519%0.189SC..Hα-helixtrans-69.4-43.6179173.90000111.8D151 K152 Y153 D265 I267D151-V155 WeakPolarHBondContact O-CG2 3.4Å; D151-V155 PolarHBondContact O-N 2.88Å; K152-V155 PolarHBondContact O-N 3.18Å; Y153-V155 PolarHBondContact O-N 3.26Å; V155-D265 WeakPolarHBondContact CG2-O 3.25Å; V155-I267 HydrophobicContact CG2-CD1 4.17Å; V155-I267 HydrophobicContact CG2-CG1 3.69Å
156E92.5Very high94.2Very high81 Ų8131.6 Ų31.638%0.37917%0.172SC..Hα-helixtrans-69.1-38.5-175.8-174.8177.915900112.4R75 K152 Y153R75-E156 PolarHBondContact NH1-O 2.89Å; R75-E156 IonicContact NH2-OE1 3.64Å; K152-E156 WeakPolarHBondContact O-CB 3.29Å; K152-E156 PolarHBondContact O-N 2.81Å; Y153-E156 PolarHBondContact O-N 2.8Å
157Y91.8Very high93.8Very high16 Ų1631.5 Ų31.56%0.06317%0.173CC..Hα-helixtrans-103.2-3.3-176.3-68-92.6000113.9R75 T76 I121 G126 Y153R75-Y157 HydrophobicContact CB-CD1 3.96Å; R75-Y157 HydrophobicContact CB-CE1 4.41Å; R75-Y157 VanDerWaalsContact O-CD1 3.29Å; R75-Y157 WeakPolarHBondContact O-CD1 3.45Å; R75-Y157 WeakPolarHBondContact O-CE1 3.42Å; T76-Y157 HydrophobicContact CG2-CD1 4.04Å; T76-Y157 HydrophobicContact CG2-CG 4.35Å; I121-Y157 HydrophobicContact CD1-CE2 3.92Å; I121-Y157 HydrophobicContact CG1-CE2 4.17Å; G126-Y157 VanDerWaalsContact N-CE1 3.32Å; Y153-Y157 AromaticContact CD2-CD2 3.47Å; Y153-Y157 HydrophobicContact CD2-CD2 3.47Å; Y153-Y157 VanDerWaalsContact CD2-CD2 3.47Å; Y153-Y157 AromaticContact CD2-CE2 3.89Å; Y153-Y157 HydrophobicContact CD2-CE2 3.89Å; Y153-Y157 HydrophobicContact CD2-CG 4.19Å; Y153-Y157 AromaticContact CE2-CD2 3.64Å; Y153-Y157 HydrophobicContact CE2-CD2 3.64Å; Y153-Y157 HydrophobicContact CE2-CE2 4.1Å; Y153-Y157 AromaticContact CE2-CG 3.92Å; Y153-Y157 HydrophobicContact CE2-CG 3.92Å; Y153-Y157 HydrophobicContact CG-CD2 4.36Å; Y153-Y157 WeakPolarHBondContact O-CB 3.47Å; Y153-Y157 WeakPolarHBondContact O-CD2 3.13Å; Y153-Y157 PolarHBondContact O-N 2.87Å
158G92Very high93.2Very high36 Ų3632.2 Ų32.237%0.37118%0.184SC..THydrogen-bonded Turntrans68.237.4179.800000113.4C154C154-G158 CarbonylContact O-C 3.2Å; C154-G158 WeakPolarHBondContact O-CA 3.18Å; C154-G158 PolarHBondContact O-N 3.24Å
159V95.4Very high92.1Very high4 Ų439.6 Ų39.62%0.02421%0.209CC..  trans-90.1122.6-177.5178.20000109.9T76 Y128 I131 Y153 C154T76-V159 HydrophobicContact CG2-CG2 4.19Å; Y128-V159 VanDerWaalsContact O-CG2 3.31Å; Y128-V159 WeakPolarHBondContact O-CG2 3.37Å; I131-V159 HydrophobicContact CD1-CG1 3.93Å; I131-V159 HydrophobicContact CG1-CG1 3.94Å; Y153-V159 HydrophobicContact CD1-CG2 4.5Å; Y153-V159 HydrophobicContact CE1-CB 4.3Å; Y153-V159 HydrophobicContact CE1-CG1 4.41Å; Y153-V159 HydrophobicContact CE1-CG2 3.82Å; C154-V159 WeakPolarHBondContact CB-O 3.45Å; C154-V159 PolarHBondContact O-N 2.81Å
160G96.6Very high91Very high3 Ų343.1 Ų43.13%0.03123%0.228CC..EExtended strand (participates in β ladder)trans-82.4164.7175.300000113.5I131 Q268I131-G160 PolarHBondContact N-O 3.27Å; I131-G160 VanDerWaalsContact N-O 3.13Å; G160-Q268 WeakPolarHBondContact CA-O 3.15Å
161V97.9Very high90.1Very high0 Ų044.4 Ų44.40%024%0.236CC..EExtended strand (participates in β ladder)trans-124.6131.5-179.2-175.60000111.6I131 Y133 I267 Q268 R269 V270I131-V161 HydrophobicContact CB-CG2 4.5Å; I131-V161 CarbonylContact O-C 3.54Å; I131-V161 WeakPolarHBondContact O-CA 3.2Å; Y133-V161 HydrophobicContact CD2-CG1 3.83Å; Y133-V161 HydrophobicContact CE2-CG1 4.22Å; V161-I267 HydrophobicContact CG2-CG2 3.99Å; V161-Q268 PolarHBondContact N-O 2.72Å; V161-R269 HydrophobicContact CB-CG 4.12Å; V161-R269 CarbonylContact O-C 3.55Å; V161-R269 WeakPolarHBondContact O-CA 3.48Å; V161-R269 WeakPolarHBondContact O-CB 3.48Å; V161-V270 PolarHBondContact O-N 3.41Å
162I98.6Very high89Confident0 Ų048.7 Ų48.70%026%0.259CS..EExtended strand (participates in β ladder)trans-104.9135.2166.8-58.8175.3000108.7L130 I131 V132 Y133 F164 V270 F272 F285 A288 I289 L292L130-I162 HydrophobicContact CD1-CD1 4.44Å; L130-I162 HydrophobicContact CD1-CG1 4.38Å; L130-I162 HydrophobicContact CD2-CD1 4.03Å; I131-I162 PolarHBondContact O-N 3.43Å; V132-I162 CarbonylContact C-O 3.57Å; V132-I162 WeakPolarHBondContact CA-O 3.5Å; V132-I162 HydrophobicContact CG1-CB 4.23Å; V132-I162 HydrophobicContact CG1-CG2 4.36Å; V132-I162 HydrophobicContact CG2-CB 4.12Å; V132-I162 HydrophobicContact CG2-CD1 4.33Å; Y133-I162 PolarHBondContact N-O 3.12Å; I162-F164 HydrophobicContact CG2-CE2 3.9Å; I162-F164 HydrophobicContact CG2-CZ 4.32Å; I162-V270 WeakPolarHBondContact CA-O 3.45Å; I162-F272 HydrophobicContact CG2-CD2 3.96Å; I162-F272 HydrophobicContact CG2-CE2 3.7Å; I162-F285 HydrophobicContact CD1-CD2 4.05Å; I162-F285 HydrophobicContact CD1-CE2 3.8Å; I162-F285 HydrophobicContact CG2-CD2 4Å; I162-F285 HydrophobicContact CG2-CE2 3.92Å; I162-A288 HydrophobicContact CD1-CB 3.82Å; I162-A288 HydrophobicContact CG1-CB 4.34Å; I162-I289 HydrophobicContact CD1-CG1 3.89Å; I162-L292 HydrophobicContact CD1-CD1 4.36Å; I162-L292 HydrophobicContact CG1-CD1 3.6Å
163G97.8Very high88.2Confident1 Ų149.8 Ų49.81%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-134.2141-178.700000112.8V270 L271 F272G163-V270 PolarHBondContact N-O 2.87Å; G163-L271 CarbonylContact O-C 3.48Å; G163-L271 VanDerWaalsContact O-CA 3.3Å; G163-L271 WeakPolarHBondContact O-CA 3.36Å; G163-F272 PolarHBondContact O-N 3.05Å
164F97.4Very high87.8Confident1 Ų152.3 Ų52.30%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-112.1140.9173.1-64.3-94.7000110.6L91 I95 V132 Y133 E134 N135 I136 I162 F272 N274 L276 F285L91-F164 HydrophobicContact CD1-CD1 4.34Å; L91-F164 HydrophobicContact CD1-CE1 4.39Å; L91-F164 HydrophobicContact CD2-CB 3.72Å; L91-F164 HydrophobicContact CD2-CD1 4.13Å; L91-F164 HydrophobicContact CD2-CD2 4.3Å; L91-F164 HydrophobicContact CD2-CG 3.8Å; I95-F164 HydrophobicContact CD1-CD2 4.08Å; I95-F164 HydrophobicContact CD1-CE2 3.75Å; I95-F164 HydrophobicContact CD1-CZ 4.49Å; I95-F164 HydrophobicContact CG1-CE2 4.15Å; I95-F164 HydrophobicContact CG1-CZ 4.49Å; V132-F164 HydrophobicContact CG1-CE2 4.04Å; Y133-F164 WeakPolarHBondContact O-CD2 3.43Å; Y133-F164 PolarHBondContact O-N 3.48Å; E134-F164 WeakPolarHBondContact O-CB 3.45Å; N135-F164 CarbonylContact C-O 3.53Å; N135-F164 WeakPolarHBondContact CA-O 3.47Å; I136-F164 WeakPolarHBondContact CG2-O 3.49Å; I136-F164 PolarHBondContact N-O 3.02Å; I162-F164 HydrophobicContact CG2-CE2 3.9Å; I162-F164 HydrophobicContact CG2-CZ 4.32Å; F164-F272 HydrophobicContact CD1-CB 3.44Å; F164-F272 VanDerWaalsContact CD1-CB 3.44Å; F164-F272 HydrophobicContact CD1-CD2 4.2Å; F164-F272 AromaticContact CD1-CG 3.9Å; F164-F272 HydrophobicContact CD1-CG 3.9Å; F164-F272 HydrophobicContact CE1-CB 3.69Å; F164-F272 HydrophobicContact CE1-CD1 4.13Å; F164-F272 AromaticContact CE1-CD2 3.79Å; F164-F272 HydrophobicContact CE1-CD2 3.79Å; F164-F272 HydrophobicContact CE1-CE2 4.48Å; F164-F272 AromaticContact CE1-CG 3.6Å; F164-F272 HydrophobicContact CE1-CG 3.6Å; F164-F272 HydrophobicContact CG-CB 4.22Å; F164-F272 AromaticContact CZ-CD2 3.99Å; F164-F272 HydrophobicContact CZ-CD2 3.99Å; F164-F272 HydrophobicContact CZ-CE2 4.37Å; F164-F272 HydrophobicContact CZ-CG 4.26Å; F164-N274 WeakPolarHBondContact CD1-O 3.33Å; F164-L276 HydrophobicContact CE1-CD2 3.56Å; F164-L276 HydrophobicContact CE1-CG 3.95Å; F164-L276 HydrophobicContact CZ-CD1 4.34Å; F164-L276 HydrophobicContact CZ-CD2 3.73Å; F164-L276 HydrophobicContact CZ-CG 4.05Å; F164-F285 HydrophobicContact CE2-CD2 4.23Å; F164-F285 HydrophobicContact CE2-CE2 4.05Å; F164-F285 AromaticContact CZ-CD2 3.7Å; F164-F285 HydrophobicContact CZ-CD2 3.7Å; F164-F285 AromaticContact CZ-CE2 3.96Å; F164-F285 HydrophobicContact CZ-CE2 3.96Å; F164-F285 HydrophobicContact CZ-CG 4.33Å
165H94Very high87.4Confident7 Ų754 Ų543%0.03229%0.292CS..  trans-133.4120.9168.5-179.562.1000108.4I136 F175 S186 A221 F272 G273 N274I136-H165 HydrophobicContact CG2-CB 3.87Å; H165-F175 AromaticContact CE1-CZ 3.86Å; H165-F175 AromaticContact NE2-CE1 3.91Å; H165-F175 AromaticContact NE2-CZ 3.7Å; H165-S186 PolarHBondContact NE2-OG 3.35Å; H165-S186 VanDerWaalsContact NE2-OG 3.16Å; H165-A221 VanDerWaalsContact CD2-CB 3.41Å; H165-A221 WeakPolarHBondContact CD2-CB 3.37Å; H165-F272 PolarHBondContact N-O 3.49Å; H165-G273 CarbonylContact O-C 3.52Å; H165-G273 VanDerWaalsContact O-CA 3.3Å; H165-G273 WeakPolarHBondContact O-CA 3.28Å; H165-N274 PolarHBondContact O-N 3.22Å
166K86.6Confident87.2Confident86 Ų8656.2 Ų56.237%0.37430%0.297SS..  trans-117.9136.5179-175.8-179.4178-179.10108.8D219 N274K166-D219 WeakPolarHBondContact CE-OD2 2.96Å; K166-D219 IonicContact NZ-OD2 3.79Å; K166-D219 PolarHBondContact NZ-OD2 3.48Å; K166-N274 WeakPolarHBondContact CG-OD1 3.48Å
167G80.9Confident86.9Confident6 Ų652.6 Ų52.66%0.06228%0.28CS..  trans-62.2142173.300000111.5N187 D219G167-N187 VanDerWaalsContact C-OD1 3.29Å; G167-N187 VanDerWaalsContact CA-OD1 3.32Å; G167-N187 WeakPolarHBondContact CA-OD1 3.16Å; G167-D219 WeakPolarHBondContact CA-O 3.42Å; G167-D219 PolarHBondContact N-O 3.41Å
168S78.9Confident86.7Confident57 Ų5758.8 Ų58.840%0.39931%0.308SS..  trans-132.7163.3172.267.50000109.6N170 S171 N187S168-N170 PolarHBondContact O-N 2.89Å; S168-S171 PolarHBondContact N-OG 3.47Å; S168-S171 WeakPolarHBondContact O-CB 3.39Å; S168-S171 PolarHBondContact O-N 2.95Å; S168-S171 PolarHBondContact O-OG 3.33Å; S168-S171 PolarHBondContact OG-N 3.12Å; S168-S171 PolarHBondContact OG-OG 3.28Å; S168-N187 PolarHBondContact N-OD1 2.79Å; S168-N187 PolarHBondContact O-ND2 2.94Å; S168-N187 PolarHBondContact O-OD1 3.12Å
169E70.7Confident86.4Confident193 Ų19360.2 Ų60.290%0.90232%0.322SS*.THydrogen-bonded Turntrans-54-31.5178.3-65.2-176.8171.600112.7
170N69.3Low86.1Confident157 Ų15760.4 Ų60.484%0.8432%0.323SS*.THydrogen-bonded Turntrans-88.2-1.3178.6-63.6-32.3000114S168S168-N170 PolarHBondContact O-N 2.89Å
171S75.9Confident85.7Confident26 Ų2663.2 Ų63.218%0.18234%0.34CS..SBendtrans-74.2134.5-179.5-65.60000111S168 Q173S168-S171 PolarHBondContact N-OG 3.47Å; S168-S171 WeakPolarHBondContact O-CB 3.39Å; S168-S171 PolarHBondContact O-N 2.95Å; S168-S171 PolarHBondContact O-OG 3.33Å; S168-S171 PolarHBondContact OG-N 3.12Å; S168-S171 PolarHBondContact OG-OG 3.28Å; S171-Q173 PolarHBondContact O-N 2.75Å
172L73.2Confident85.3Confident123 Ų12363.4 Ų63.464%0.64434%0.341SS*.  trans-58.7133.7169.6-66173.9000109.5S174 F175L172-S174 VanDerWaalsContact C-N 3.27Å; L172-S174 PolarHBondContact O-N 2.97Å; L172-F175 HydrophobicContact CB-CB 4.25Å; L172-F175 HydrophobicContact CB-CD1 3.97Å; L172-F175 HydrophobicContact CB-CG 4.45Å; L172-F175 HydrophobicContact CD1-CB 4.14Å
173Q77.4Confident84.9Confident160 Ų16066.6 Ų66.675%0.74836%0.358SS*.SBendtrans-59.9-38.1-176.3-170175.513.500112.4S171 H185 S186S171-Q173 PolarHBondContact O-N 2.75Å; Q173-H185 CarbonylContact O-C 3.59Å; Q173-H185 VanDerWaalsContact O-CA 3.29Å; Q173-H185 WeakPolarHBondContact O-CA 3.49Å; Q173-S186 PolarHBondContact O-N 2.68Å
174S87Confident84.5Confident60 Ų6066.6 Ų66.642%0.4236%0.358SS..EExtended strand (participates in β ladder)trans-144128174171.90000109.5L172 V184 H185L172-S174 VanDerWaalsContact C-N 3.27Å; L172-S174 PolarHBondContact O-N 2.97Å; S174-V184 WeakPolarHBondContact CA-O 3.35Å; S174-H185 WeakPolarHBondContact CB-ND1 3.35Å; S174-H185 PolarHBondContact OG-CE1 2.58Å; S174-H185 VanDerWaalsContact OG-CE1 3.29Å; S174-H185 PolarHBondContact OG-ND1 2.86Å
175F87.7Confident84.2Confident38 Ų3868.5 Ų68.517%0.16737%0.367CS..EExtended strand (participates in β ladder)trans-149.6157.1176.765.6-84.2000111.8H165 L172 L177 V184H165-F175 AromaticContact CE1-CZ 3.86Å; H165-F175 AromaticContact NE2-CE1 3.91Å; H165-F175 AromaticContact NE2-CZ 3.7Å; L172-F175 HydrophobicContact CB-CB 4.25Å; L172-F175 HydrophobicContact CB-CD1 3.97Å; L172-F175 HydrophobicContact CB-CG 4.45Å; L172-F175 HydrophobicContact CD1-CB 4.14Å; F175-L177 HydrophobicContact CE2-CD1 4.03Å; F175-V184 HydrophobicContact CE1-CB 4.1Å; F175-V184 HydrophobicContact CE1-CG1 4.17Å; F175-V184 HydrophobicContact CE2-CB 4.3Å; F175-V184 HydrophobicContact CE2-CG2 4.45Å; F175-V184 HydrophobicContact CZ-CB 3.96Å; F175-V184 HydrophobicContact CZ-CG1 4.1Å; F175-V184 HydrophobicContact CZ-CG2 4.44Å; F175-V184 PolarHBondContact N-O 3.13Å; F175-V184 PolarHBondContact O-N 3.39Å
176Q88.9Confident84.1Confident125 Ų12568.2 Ų68.258%0.58437%0.365SS*.EExtended strand (participates in β ladder)trans-85.5125.3169-173.7174.8-4.900109.3K178 F180 L183Q176-K178 PolarHBondContact O-N 3.46Å; Q176-F180 WeakPolarHBondContact CG-O 3.29Å; Q176-F180 PolarHBondContact NE2-O 3Å; Q176-L183 HydrophobicContact CB-CD2 3.95Å
177L87.1Confident84.2Confident5 Ų567.1 Ų67.13%0.02636%0.363CS..PPolyproline II helixtrans-67.3119.8176.5-172.368.8000108.7L137 V140 F175 G179 F180 F182 V184L137-L177 HydrophobicContact CD2-CD1 3.67Å; V140-L177 HydrophobicContact CG1-CD1 4.46Å; V140-L177 HydrophobicContact CG2-CD1 4.09Å; V140-L177 HydrophobicContact CG2-CD2 4.36Å; V140-L177 HydrophobicContact CG2-CG 4.16Å; F175-L177 HydrophobicContact CE2-CD1 4.03Å; L177-G179 PolarHBondContact O-N 3.07Å; L177-F180 HydrophobicContact CB-CB 4.23Å; L177-F180 HydrophobicContact CB-CD2 4.27Å; L177-F180 HydrophobicContact CD2-CB 4.48Å; L177-F180 HydrophobicContact CD2-CD2 3.56Å; L177-F180 HydrophobicContact CD2-CE2 3.96Å; L177-F180 HydrophobicContact CD2-CG 4.04Å; L177-F180 HydrophobicContact CG-CD2 3.73Å; L177-F180 HydrophobicContact CG-CE2 4.36Å; L177-F180 HydrophobicContact CG-CG 4.41Å; L177-F180 WeakPolarHBondContact O-CB 3.39Å; L177-F180 PolarHBondContact O-N 3.08Å; L177-F182 HydrophobicContact CB-CE2 4.08Å; L177-F182 HydrophobicContact CB-CZ 4.47Å; L177-F182 HydrophobicContact CD2-CE2 4.02Å; L177-F182 HydrophobicContact CD2-CZ 3.82Å; L177-V184 HydrophobicContact CB-CG2 4.22Å
178K87.1Confident84.5Confident147 Ų14768.1 Ų68.164%0.63937%0.368SS*.THydrogen-bonded Turntrans-55.4127.4-174.5176.4-171.8-179.8-170.80110.8V140 Q176 F180V140-K178 HydrophobicContact CG1-CB 3.59Å; V140-K178 HydrophobicContact CG1-CD 4.41Å; V140-K178 HydrophobicContact CG1-CG 4.31Å; V140-K178 VanDerWaalsContact CG1-O 3.26Å; V140-K178 WeakPolarHBondContact CG1-O 3.48Å; Q176-K178 PolarHBondContact O-N 3.46Å; K178-F180 VanDerWaalsContact C-N 3.35Å; K178-F180 WeakPolarHBondContact O-CD2 3.34Å
179G85Confident84.9Confident66 Ų6665.8 Ų65.868%0.6835%0.354SS*.THydrogen-bonded Turntrans84.71.5-17700000115L177L177-G179 PolarHBondContact O-N 3.07Å
180F89.8Confident85.8Confident8 Ų856.6 Ų56.64%0.03531%0.311CS..SBendtrans-124.8144.6179.6-63.3-91.7000111.8V140 Q176 L177 K178 F182 Y230V140-F180 HydrophobicContact CG2-CD2 4.47Å; V140-F180 HydrophobicContact CG2-CE2 3.84Å; Q176-F180 WeakPolarHBondContact CG-O 3.29Å; Q176-F180 PolarHBondContact NE2-O 3Å; L177-F180 HydrophobicContact CB-CB 4.23Å; L177-F180 HydrophobicContact CB-CD2 4.27Å; L177-F180 HydrophobicContact CD2-CB 4.48Å; L177-F180 HydrophobicContact CD2-CD2 3.56Å; L177-F180 HydrophobicContact CD2-CE2 3.96Å; L177-F180 HydrophobicContact CD2-CG 4.04Å; L177-F180 HydrophobicContact CG-CD2 3.73Å; L177-F180 HydrophobicContact CG-CE2 4.36Å; L177-F180 HydrophobicContact CG-CG 4.41Å; L177-F180 WeakPolarHBondContact O-CB 3.39Å; L177-F180 PolarHBondContact O-N 3.08Å; K178-F180 VanDerWaalsContact C-N 3.35Å; K178-F180 WeakPolarHBondContact O-CD2 3.34Å; F180-F182 VanDerWaalsContact C-N 3.28Å; F180-F182 HydrophobicContact CB-CD1 3.93Å; F180-F182 HydrophobicContact CB-CE1 3.54Å; F180-F182 HydrophobicContact CB-CE2 4.48Å; F180-F182 HydrophobicContact CB-CZ 3.84Å; F180-F182 AromaticContact CD1-CE1 3.71Å; F180-F182 HydrophobicContact CD1-CE1 3.71Å; F180-F182 HydrophobicContact CD1-CZ 4.12Å; F180-F182 AromaticContact CG-CE1 3.88Å; F180-F182 HydrophobicContact CG-CE1 3.88Å; F180-F182 HydrophobicContact CG-CZ 4.03Å; F180-F182 PolarHBondContact O-N 2.85Å; F180-Y230 HydrophobicContact CD1-CE1 4.28Å; F180-Y230 WeakPolarHBondContact CD1-OH 3.45Å
181P88.6Confident86.7Confident61 Ų6152.8 Ų52.840%0.39629%0.287SS..SBendtrans-91.836-175.639.3-37.4000112.8H227 Y230P181-H227 HydrophobicContact CG-CB 4.41Å; P181-Y230 WeakPolarHBondContact CD-OH 3.39Å; P181-Y230 HydrophobicContact CG-CD2 4.43Å; P181-Y230 HydrophobicContact CG-CE2 3.51Å
182F89Confident87.3Confident5 Ų552.9 Ų52.92%0.02229%0.285CS..SBendtrans-137.1156.1178.161.3-104.8000111.9L177 F180 V184 F223 Q224 I225 Y230 I258 L271L177-F182 HydrophobicContact CB-CE2 4.08Å; L177-F182 HydrophobicContact CB-CZ 4.47Å; L177-F182 HydrophobicContact CD2-CE2 4.02Å; L177-F182 HydrophobicContact CD2-CZ 3.82Å; F180-F182 VanDerWaalsContact C-N 3.28Å; F180-F182 HydrophobicContact CB-CD1 3.93Å; F180-F182 HydrophobicContact CB-CE1 3.54Å; F180-F182 HydrophobicContact CB-CE2 4.48Å; F180-F182 HydrophobicContact CB-CZ 3.84Å; F180-F182 AromaticContact CD1-CE1 3.71Å; F180-F182 HydrophobicContact CD1-CE1 3.71Å; F180-F182 HydrophobicContact CD1-CZ 4.12Å; F180-F182 AromaticContact CG-CE1 3.88Å; F180-F182 HydrophobicContact CG-CE1 3.88Å; F180-F182 HydrophobicContact CG-CZ 4.03Å; F180-F182 PolarHBondContact O-N 2.85Å; F182-V184 HydrophobicContact CD2-CG2 4.07Å; F182-V184 HydrophobicContact CE2-CG2 3.82Å; F182-F223 HydrophobicContact CD2-CD1 4.1Å; F182-F223 AromaticContact CE2-CD1 3.69Å; F182-F223 HydrophobicContact CE2-CD1 3.69Å; F182-F223 HydrophobicContact CE2-CE1 4.15Å; F182-F223 HydrophobicContact CZ-CD1 4.46Å; F182-Q224 WeakPolarHBondContact CB-O 3.47Å; F182-I225 HydrophobicContact CB-CG1 4.42Å; F182-Y230 HydrophobicContact CD1-CD1 4.09Å; F182-Y230 HydrophobicContact CD1-CD2 4.34Å; F182-Y230 AromaticContact CD1-CE1 3.88Å; F182-Y230 HydrophobicContact CD1-CE1 3.88Å; F182-Y230 HydrophobicContact CD1-CE2 4.16Å; F182-Y230 HydrophobicContact CD1-CG 4.32Å; F182-Y230 AromaticContact CD1-CZ 3.95Å; F182-Y230 AromaticContact CE1-CD1 3.97Å; F182-Y230 HydrophobicContact CE1-CD1 3.97Å; F182-Y230 AromaticContact CE1-CE1 3.55Å; F182-Y230 HydrophobicContact CE1-CE1 3.55Å; F182-Y230 AromaticContact CE1-CZ 3.93Å; F182-I258 HydrophobicContact CD1-CD1 4.24Å; F182-I258 HydrophobicContact CE1-CD1 3.81Å; F182-I258 HydrophobicContact CE2-CD1 4.16Å; F182-I258 HydrophobicContact CZ-CD1 3.79Å; F182-L271 HydrophobicContact CE1-CD1 4.37Å; F182-L271 HydrophobicContact CZ-CD1 3.75Å
183L89.9Confident88Confident67 Ų6747.1 Ų47.135%0.35126%0.255SS..EExtended strand (participates in β ladder)trans-95.7144.1177-67.6168.7000110.4Q176 Q224Q176-L183 HydrophobicContact CB-CD2 3.95Å; L183-Q224 HydrophobicContact CB-CB 4.3Å; L183-Q224 PolarHBondContact N-O 3.26Å; L183-Q224 PolarHBondContact O-N 3.18Å
184V91.2Very high88.4Confident1 Ų139.6 Ų39.61%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-114.5122.6174.6-175.10000108.2S174 F175 L177 F182 A221 F223S174-V184 WeakPolarHBondContact CA-O 3.35Å; F175-V184 HydrophobicContact CE1-CB 4.1Å; F175-V184 HydrophobicContact CE1-CG1 4.17Å; F175-V184 HydrophobicContact CE2-CB 4.3Å; F175-V184 HydrophobicContact CE2-CG2 4.45Å; F175-V184 HydrophobicContact CZ-CB 3.96Å; F175-V184 HydrophobicContact CZ-CG1 4.1Å; F175-V184 HydrophobicContact CZ-CG2 4.44Å; F175-V184 PolarHBondContact N-O 3.13Å; F175-V184 PolarHBondContact O-N 3.39Å; L177-V184 HydrophobicContact CB-CG2 4.22Å; F182-V184 HydrophobicContact CD2-CG2 4.07Å; F182-V184 HydrophobicContact CE2-CG2 3.82Å; V184-A221 HydrophobicContact CG1-CB 3.96Å; V184-F223 HydrophobicContact CG2-CD1 3.97Å; V184-F223 HydrophobicContact CG2-CE1 4.13Å
185H90.6Very high88.6Confident41 Ų4136.9 Ų36.919%0.1920%0.201CC..EExtended strand (participates in β ladder)trans-101.6117.9171.8-61.7-78.1000108.6Q173 S174 A221 V222 Q224Q173-H185 CarbonylContact O-C 3.59Å; Q173-H185 VanDerWaalsContact O-CA 3.29Å; Q173-H185 WeakPolarHBondContact O-CA 3.49Å; S174-H185 WeakPolarHBondContact CB-ND1 3.35Å; S174-H185 PolarHBondContact OG-CE1 2.58Å; S174-H185 VanDerWaalsContact OG-CE1 3.29Å; S174-H185 PolarHBondContact OG-ND1 2.86Å; H185-A221 CarbonylContact O-C 3.55Å; H185-A221 WeakPolarHBondContact O-CA 3.43Å; H185-V222 HydrophobicContact CB-CG2 3.82Å; H185-V222 PolarHBondContact N-O 2.75Å; H185-V222 PolarHBondContact O-N 3.24Å; H185-Q224 PolarHBondContact NE2-OE1 3.04Å
186S91.1Very high88.7Confident1 Ų135.8 Ų35.81%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-105.4163.1-176.9-58.30000111.5H165 Q173 W220H165-S186 PolarHBondContact NE2-OG 3.35Å; H165-S186 VanDerWaalsContact NE2-OG 3.16Å; Q173-S186 PolarHBondContact O-N 2.68Å; S186-W220 CarbonylContact C-O 3.33Å
187N88.1Confident88.6Confident62 Ų6232.4 Ų32.433%0.33219%0.185SC..EExtended strand (participates in β ladder)trans60.443.1178.4-58-32.4000113.7G167 S168 N218 W220G167-N187 VanDerWaalsContact C-OD1 3.29Å; G167-N187 VanDerWaalsContact CA-OD1 3.32Å; G167-N187 WeakPolarHBondContact CA-OD1 3.16Å; S168-N187 PolarHBondContact N-OD1 2.79Å; S168-N187 PolarHBondContact O-ND2 2.94Å; S168-N187 PolarHBondContact O-OD1 3.12Å; N187-N218 CarbonylContact C-O 3.38Å; N187-N218 WeakPolarHBondContact CA-O 3.31Å; N187-W220 PolarHBondContact N-O 2.86Å
188V87.8Confident88.5Confident27 Ų2737.5 Ų37.516%0.16421%0.209CC..EExtended strand (participates in β ladder)trans-104.4143.7175.3-64.40000111.7I190 N218 W220 V222 V238V188-I190 HydrophobicContact CG2-CG2 4.09Å; V188-N218 CarbonylContact C-O 3.55Å; V188-N218 PolarHBondContact N-O 3.2Å; V188-N218 VanDerWaalsContact N-O 3.12Å; V188-N218 CarbonylContact O-C 3.56Å; V188-W220 HydrophobicContact CG2-CB 4.16Å; V188-W220 WeakPolarHBondContact CG2-O 3.25Å; V188-W220 PolarHBondContact N-O 3.16Å; V188-W220 VanDerWaalsContact N-O 3.11Å; V188-W220 VanDerWaalsContact O-CB 3.26Å; V188-W220 WeakPolarHBondContact O-CB 3.32Å; V188-W220 PolarHBondContact O-N 3.32Å; V188-V222 HydrophobicContact CG2-CG1 3.82Å; V188-V222 HydrophobicContact CG2-CG2 4.04Å; V188-V238 HydrophobicContact CB-CG1 4.35Å
189G87.3Confident88.6Confident9 Ų930.8 Ų30.89%0.09318%0.181CC..  trans-84.4136.9165.300000109.7N218 K239G189-N218 WeakPolarHBondContact CA-OD1 3.49Å; G189-K239 PolarHBondContact O-N 3.33Å
190I89.6Confident88.8Confident0 Ų030.1 Ų30.10%016%0.164CC..EExtended strand (participates in β ladder)trans-125.6157.4-179.763.1168.1000112.8V188 L215 W220 V222 A236 K237 K239 T256V188-I190 HydrophobicContact CG2-CG2 4.09Å; I190-L215 HydrophobicContact CD1-CD1 3.5Å; I190-L215 VanDerWaalsContact CD1-CD1 3.5Å; I190-L215 HydrophobicContact CG1-CB 4.06Å; I190-L215 HydrophobicContact CG1-CD1 3.72Å; I190-L215 HydrophobicContact CG1-CG 4.31Å; I190-L215 PolarHBondContact O-N 3.29Å; I190-W220 HydrophobicContact CD1-CB 4.44Å; I190-W220 HydrophobicContact CD1-CD2 3.31Å; I190-W220 HydrophobicContact CD1-CE3 3.22Å; I190-W220 HydrophobicContact CD1-CG 3.86Å; I190-W220 HydrophobicContact CD1-CH2 4.07Å; I190-W220 HydrophobicContact CD1-CZ2 4.18Å; I190-W220 HydrophobicContact CD1-CZ3 3.6Å; I190-W220 HydrophobicContact CG1-CB 4.44Å; I190-W220 HydrophobicContact CG1-CD2 3.65Å; I190-W220 HydrophobicContact CG1-CE3 4.11Å; I190-W220 HydrophobicContact CG1-CG 3.78Å; I190-W220 HydrophobicContact CG2-CB 4.37Å; I190-V222 HydrophobicContact CG2-CG1 4.01Å; I190-A236 HydrophobicContact CB-CB 3.99Å; I190-A236 HydrophobicContact CD1-CB 3.83Å; I190-A236 HydrophobicContact CG1-CB 4.43Å; I190-A236 HydrophobicContact CG2-CB 4.41Å; I190-K237 CarbonylContact C-O 3.54Å; I190-K237 VanDerWaalsContact CA-O 3.24Å; I190-K237 WeakPolarHBondContact CA-O 3.37Å; I190-K239 WeakPolarHBondContact O-CE 3.46Å; I190-T256 HydrophobicContact CD1-CG2 3.55Å
191K88.6Confident88.9Confident77 Ų7729.9 Ų29.934%0.33516%0.163SC..EExtended strand (participates in β ladder)trans-146.9164.7176.966.9176.5-175.8177.40110.6G213 K237 K239K191-G213 VanDerWaalsContact CA-O 3.23Å; K191-G213 WeakPolarHBondContact CA-O 3.4Å; K191-G213 VanDerWaalsContact CB-O 3.31Å; K191-G213 WeakPolarHBondContact CB-O 3.45Å; K191-K237 HydrophobicContact CG-CB 4.1Å; K191-K237 PolarHBondContact N-O 3.03Å; K191-K237 WeakPolarHBondContact O-CB 3.45Å; K191-K237 PolarHBondContact O-N 3.26Å; K191-K239 HydrophobicContact CB-CG 4.42Å; K191-K239 HydrophobicContact CG-CG 4.44Å
192D88Confident89.1Confident28 Ų2828.6 Ų28.615%0.1515%0.153CC..EExtended strand (participates in β ladder)trans54.281.1172.6-52.7-28.1000112.7L210 D211 G213 K237D192-L210 HydrophobicContact CB-CD1 4.37Å; D192-D211 CarbonylContact C-O 2.83Å; D192-D211 VanDerWaalsContact CA-O 3.27Å; D192-D211 WeakPolarHBondContact CA-O 3.31Å; D192-G213 PolarHBondContact N-O 3.04Å; D192-G213 PolarHBondContact OD1-N 3.31Å; D192-K237 HydrophobicContact CB-CD 4.17Å; D192-K237 HydrophobicContact CB-CG 4.45Å; D192-K237 IonicContact OD2-NZ 3.47Å
193C88Confident89.4Confident1 Ų130.6 Ų30.61%0.00716%0.162CC..EExtended strand (participates in β ladder)trans-93.4137.7-177.1-69.30000112.9L210 D211 L215 I234 F235 F278 L280C193-L210 WeakPolarHBondContact O-CD1 3.46Å; C193-D211 HydrophobicContact CB-CB 4.37Å; C193-D211 PolarHBondContact N-O 2.8Å; C193-D211 PolarHBondContact O-N 2.99Å; C193-L215 WeakPolarHBondContact SG-CD1 3.27Å; C193-I234 HydrophobicContact CB-CG2 4.31Å; C193-F235 CarbonylContact C-O 3.57Å; C193-F235 VanDerWaalsContact CA-O 3.24Å; C193-F235 WeakPolarHBondContact CA-O 3.31Å; C193-F278 HydrophobicContact CB-CZ 4.24Å; C193-L280 HydrophobicContact CB-CD1 4.39Å
194C87.3Confident89.7Confident3 Ų327.7 Ų27.72%0.0215%0.147CC..EExtended strand (participates in β ladder)trans-129.9147.4173.756.60000112.8C52 L210 I234 F235C52-C194 HydrophobicContact CB-CB 3.88Å; C52-C194 WeakPolarHBondContact SG-CB 3.33Å; C194-L210 HydrophobicContact CB-CD1 3.97Å; C194-I234 CarbonylContact O-C 3.26Å; C194-I234 WeakPolarHBondContact O-CA 3.49Å; C194-F235 PolarHBondContact N-O 3.07Å; C194-F235 PolarHBondContact O-N 3.2Å
195I90.7Very high89.9Confident2 Ų227.7 Ų27.71%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-96134177.8-58.2165.7000108.7P197 L202 T205 L280 W544I195-P197 VanDerWaalsContact O-CD 3.25Å; I195-P197 WeakPolarHBondContact O-CD 3.24Å; I195-L202 HydrophobicContact CG2-CD1 3.83Å; I195-L202 HydrophobicContact CG2-CD2 3.74Å; I195-L202 HydrophobicContact CG2-CG 4.44Å; I195-T205 HydrophobicContact CD1-CG2 3.51Å; I195-L280 HydrophobicContact CD1-CD2 3.56Å; I195-L280 HydrophobicContact CG1-CD2 4.22Å; I195-W544 HydrophobicContact CD1-CE3 4.35Å; I195-W544 HydrophobicContact CD1-CZ3 4.21Å
196N89.4Confident90Very high15 Ų1529.3 Ų29.38%0.0815%0.154CC..  trans-68111.6173-179.5-1.4000110.3H198 S199 L202 P232 V233 F235N196-H198 PolarHBondContact O-N 3.1Å; N196-H198 VanDerWaalsContact O-N 3.15Å; N196-H198 PolarHBondContact OD1-N 3.13Å; N196-S199 WeakPolarHBondContact O-CB 3.37Å; N196-S199 PolarHBondContact O-N 2.94Å; N196-S199 VanDerWaalsContact O-N 3.14Å; N196-L202 WeakPolarHBondContact O-CD1 3.42Å; N196-P232 WeakPolarHBondContact CB-O 3.47Å; N196-P232 PolarHBondContact ND2-O 2.86Å; N196-V233 PolarHBondContact N-O 3.35Å; N196-F235 HydrophobicContact CB-CE2 3.79Å; N196-F235 HydrophobicContact CB-CZ 4.43Å
197P85.8Confident89.6Confident54 Ų5430.8 Ų30.835%0.35116%0.164SC..THydrogen-bonded Turntrans-66.9-17.5-176.929.4-36.3000113.8I195 S207I195-P197 VanDerWaalsContact O-CD 3.25Å; I195-P197 WeakPolarHBondContact O-CD 3.24Å; P197-S207 WeakPolarHBondContact CA-OG 3.43Å; P197-S207 WeakPolarHBondContact CB-OG 3.49Å
198H85.2Confident88.4Confident113 Ų11330.6 Ų30.652%0.52317%0.167SC..THydrogen-bonded Turntrans-93.82.4179.5-56.8-60.3000113.3L62 N196 P200L62-H198 HydrophobicContact CD1-CB 4.27Å; N196-H198 PolarHBondContact O-N 3.1Å; N196-H198 VanDerWaalsContact O-N 3.15Å; N196-H198 PolarHBondContact OD1-N 3.13Å; H198-P200 WeakPolarHBondContact O-CD 3.49Å
199S89.8Confident87.6Confident6 Ų633 Ų334%0.04218%0.176CC..  trans-66124.5177.91760000110.5N196 L201 L202N196-S199 WeakPolarHBondContact O-CB 3.37Å; N196-S199 PolarHBondContact O-N 2.94Å; N196-S199 VanDerWaalsContact O-N 3.14Å; S199-L201 PolarHBondContact O-N 3.5Å; S199-L201 VanDerWaalsContact O-N 3.17Å; S199-L201 PolarHBondContact OG-N 3.22Å; S199-L202 PolarHBondContact O-N 2.82Å
200P89.4Confident87.3Confident51 Ų5134.9 Ų34.933%0.33118%0.183SC..THydrogen-bonded Turntrans-71.8-7.8179.432-37.3000112.9H198 L202 F291H198-P200 WeakPolarHBondContact O-CD 3.49Å; P200-L202 VanDerWaalsContact C-N 3.33Å; P200-F291 HydrophobicContact CB-CE2 3.9Å; P200-F291 HydrophobicContact CB-CZ 4.33Å; P200-F291 HydrophobicContact CG-CE2 4.28Å; P200-F291 HydrophobicContact CG-CZ 4.27Å; P200-F291 VanDerWaalsContact O-CD2 3.23Å; P200-F291 WeakPolarHBondContact O-CD2 3.49Å; P200-F291 WeakPolarHBondContact O-CE2 3.34Å
201L91.6Very high86.9Confident3 Ų336.7 Ų36.72%0.01619%0.193CC..THydrogen-bonded Turntrans-69.6-32176.1-57.5-177.3000112.1S199 H203 V233 H259 V270 D287 F291S199-L201 PolarHBondContact O-N 3.5Å; S199-L201 VanDerWaalsContact O-N 3.17Å; S199-L201 PolarHBondContact OG-N 3.22Å; L201-H203 PolarHBondContact O-N 3.38Å; L201-V233 HydrophobicContact CD1-CG1 4.16Å; L201-V233 HydrophobicContact CD1-CG2 3.61Å; L201-H259 HydrophobicContact CD1-CB 4.2Å; L201-V270 HydrophobicContact CD1-CG1 4.12Å; L201-V270 HydrophobicContact CD1-CG2 3.69Å; L201-V270 HydrophobicContact CD2-CG2 3.97Å; L201-D287 WeakPolarHBondContact O-CB 3.5Å; L201-F291 HydrophobicContact CD2-CB 3.75Å; L201-F291 HydrophobicContact CD2-CD1 3.34Å; L201-F291 HydrophobicContact CD2-CD2 4.05Å; L201-F291 HydrophobicContact CD2-CE1 3.89Å; L201-F291 HydrophobicContact CD2-CG 3.43Å; L201-F291 VanDerWaalsContact CD2-CG 3.43Å; L201-F291 HydrophobicContact CD2-CZ 4.45Å
202L93.7Very high86.6Confident34 Ų3439.8 Ų39.818%0.17821%0.206CC..  trans-64.1118.8-168.2-54.8-177.6000110.9I195 N196 S199 P200 T205 I284I195-L202 HydrophobicContact CG2-CD1 3.83Å; I195-L202 HydrophobicContact CG2-CD2 3.74Å; I195-L202 HydrophobicContact CG2-CG 4.44Å; N196-L202 WeakPolarHBondContact O-CD1 3.42Å; S199-L202 PolarHBondContact O-N 2.82Å; P200-L202 VanDerWaalsContact C-N 3.33Å; L202-T205 HydrophobicContact CD2-CG2 4.32Å; L202-I284 HydrophobicContact CD2-CD1 3.53Å
203H94.3Very high86.2Confident48 Ų4839.6 Ų39.622%0.22221%0.211CC..SBendtrans-130.1-61.4176.9-179.641.5000111L201 D287 N546L201-H203 PolarHBondContact O-N 3.38Å; H203-D287 WeakPolarHBondContact CB-OD1 3.32Å; H203-D287 VanDerWaalsContact N-CG 3.33Å; H203-D287 PolarHBondContact N-OD1 3.4Å; H203-D287 PolarHBondContact N-OD2 3.06Å; H203-D287 VanDerWaalsContact N-OD2 3.16Å; H203-N546 PolarHBondContact O-ND2 3.36Å
204V96.3Very high85.8Confident5 Ų544.2 Ų44.23%0.0324%0.241CC..SBendtrans-78.1-40.1171.5177.60000109.9L283 I286 D287 L301 V510 T545 N546 L547V204-L283 HydrophobicContact CG1-CD2 4.49Å; V204-I286 HydrophobicContact CG2-CG2 4.31Å; V204-D287 WeakPolarHBondContact CB-OD1 3.21Å; V204-D287 PolarHBondContact N-OD1 2.98Å; V204-L301 HydrophobicContact CG2-CD2 4.15Å; V204-V510 HydrophobicContact CG1-CG1 4.22Å; V204-T545 CarbonylContact O-C 3.57Å; V204-T545 WeakPolarHBondContact O-CA 3.07Å; V204-T545 WeakPolarHBondContact O-CB 3.44Å; V204-N546 PolarHBondContact O-N 2.98Å; V204-L547 HydrophobicContact CG1-CD1 4.5Å; V204-L547 HydrophobicContact CG1-CD2 4.1Å; V204-L547 HydrophobicContact CG1-CG 4.23Å
205T96Very high85.6Confident1 Ų145 Ų451%0.00625%0.245CC..BIsolated β-bridgetrans-75.5140.4-175.1-47.20000111.8I195 L202 I284 D287 N546I195-T205 HydrophobicContact CD1-CG2 3.51Å; L202-T205 HydrophobicContact CD2-CG2 4.32Å; T205-I284 HydrophobicContact CG2-CD1 4Å; T205-D287 WeakPolarHBondContact CB-OD2 3.41Å; T205-D287 PolarHBondContact N-OD2 2.76Å; T205-D287 PolarHBondContact OG1-OD2 3.19Å; T205-N546 PolarHBondContact O-ND2 3.32Å
206K93Very high85.2Confident76 Ų7652.7 Ų52.733%0.3329%0.285SS..  trans-111.8133.6174-171.4179.9173.3-175.80110S208 W544K206-S208 VanDerWaalsContact C-N 3.34Å; K206-S208 WeakPolarHBondContact CE-OG 3.25Å; K206-S208 PolarHBondContact O-N 2.84Å; K206-W544 PolarHBondContact N-O 3.46Å
207S81.9Confident84.8Confident31 Ų3153.9 Ų53.922%0.21730%0.301CS..  trans-89.621-171.550.10000115.1P197 K209P197-S207 WeakPolarHBondContact CA-OG 3.43Å; P197-S207 WeakPolarHBondContact CB-OG 3.49Å; S207-K209 PolarHBondContact O-N 2.77Å
208S62.8Low84.7Confident58 Ų5856.4 Ų56.441%0.40631%0.311SS..  trans-83.3-10.4-162.842.90000116.9K206 T543K206-S208 VanDerWaalsContact C-N 3.34Å; K206-S208 WeakPolarHBondContact CE-OG 3.25Å; K206-S208 PolarHBondContact O-N 2.84Å; S208-T543 PolarHBondContact OG-O 2.68Å
209K71.3Confident84.8Confident78 Ų7853.1 Ų53.134%0.33930%0.298SS..  trans-140.9151.2-173.8-68.3-150.3173.8-137.40114.3E49 S207 T543 W544E49-K209 IonicContact OE1-NZ 3.95Å; E49-K209 PolarHBondContact OE1-NZ 2.86Å; E49-K209 IonicContact OE2-NZ 2.96Å; E49-K209 PolarHBondContact OE2-NZ 2.65Å; S207-K209 PolarHBondContact O-N 2.77Å; K209-T543 HydrophobicContact CB-CG2 4.49Å; K209-T543 HydrophobicContact CD-CG2 3.63Å; K209-T543 HydrophobicContact CG-CG2 3.97Å; K209-W544 HydrophobicContact CB-CH2 3.85Å; K209-W544 HydrophobicContact CB-CZ2 4Å; K209-W544 HydrophobicContact CB-CZ3 4.28Å; K209-W544 VanDerWaalsContact O-CH2 3.22Å; K209-W544 WeakPolarHBondContact O-CH2 3.47Å; K209-W544 VanDerWaalsContact O-CZ3 3.28Å; K209-W544 WeakPolarHBondContact O-CZ3 3.27Å
210L81.3Confident85Confident49 Ų4953.2 Ų53.226%0.25730%0.297SS..  trans-82125.2169.3178.871.6000109.2D192 C193 C194 K212D192-L210 HydrophobicContact CB-CD1 4.37Å; C193-L210 WeakPolarHBondContact O-CD1 3.46Å; C194-L210 HydrophobicContact CB-CD1 3.97Å; L210-K212 HydrophobicContact CD2-CD 4.36Å; L210-K212 HydrophobicContact CD2-CG 3.63Å; L210-K212 HydrophobicContact CG-CG 3.91Å; L210-K212 PolarHBondContact O-N 2.95Å
211D81.1Confident85.1Confident38 Ų3850.8 Ų50.820%0.20328%0.281CS..EExtended strand (participates in β ladder)trans-84.396170.8-172.524.8000108.8D192 C193 L280 W544D192-D211 CarbonylContact C-O 2.83Å; D192-D211 VanDerWaalsContact CA-O 3.27Å; D192-D211 WeakPolarHBondContact CA-O 3.31Å; C193-D211 HydrophobicContact CB-CB 4.37Å; C193-D211 PolarHBondContact N-O 2.8Å; C193-D211 PolarHBondContact O-N 2.99Å; D211-L280 HydrophobicContact CB-CD1 4.2Å; D211-W544 HydrophobicContact CB-CH2 3.92Å; D211-W544 HydrophobicContact CB-CZ2 4.34Å
212K80.9Confident85.2Confident141 Ų14150.7 Ų50.761%0.61328%0.281SS*.EExtended strand (participates in β ladder)trans-80.7143.2-173.5-71.4-177.6179.7178.10111.5L210L210-K212 HydrophobicContact CD2-CD 4.36Å; L210-K212 HydrophobicContact CD2-CG 3.63Å; L210-K212 HydrophobicContact CG-CG 3.91Å; L210-K212 PolarHBondContact O-N 2.95Å
213G80.2Confident85.1Confident25 Ų2549.4 Ų49.426%0.25827%0.274SS..EExtended strand (participates in β ladder)trans113.4172.3171.600000114.2K191 D192K191-G213 VanDerWaalsContact CA-O 3.23Å; K191-G213 WeakPolarHBondContact CA-O 3.4Å; K191-G213 VanDerWaalsContact CB-O 3.31Å; K191-G213 WeakPolarHBondContact CB-O 3.45Å; D192-G213 PolarHBondContact N-O 3.04Å; D192-G213 PolarHBondContact OD1-N 3.31Å
214P80.5Confident84.8Confident97 Ų9751.5 Ų51.563%0.6328%0.284SS*.EExtended strand (participates in β ladder)trans-73.4134.5-177.830-33.5000111.3
215L83.6Confident84.3Confident21 Ų2152 Ų5211%0.1129%0.286CS..PPolyproline II helixtrans-82.1151.3167-63.8-179.2000110.9I190 C193 W220 K239 F278I190-L215 HydrophobicContact CD1-CD1 3.5Å; I190-L215 VanDerWaalsContact CD1-CD1 3.5Å; I190-L215 HydrophobicContact CG1-CB 4.06Å; I190-L215 HydrophobicContact CG1-CD1 3.72Å; I190-L215 HydrophobicContact CG1-CG 4.31Å; I190-L215 PolarHBondContact O-N 3.29Å; C193-L215 WeakPolarHBondContact SG-CD1 3.27Å; L215-W220 HydrophobicContact CB-CZ2 3.96Å; L215-W220 HydrophobicContact CD1-CH2 3.76Å; L215-W220 HydrophobicContact CD1-CZ2 3.73Å; L215-W220 HydrophobicContact CD1-CZ3 4.41Å; L215-W220 HydrophobicContact CG-CZ2 4.44Å; L215-K239 PolarHBondContact O-NZ 3.21Å; L215-F278 HydrophobicContact CD1-CD1 4.38Å; L215-F278 HydrophobicContact CD1-CE1 3.93Å; L215-F278 HydrophobicContact CD1-CE2 4.15Å; L215-F278 HydrophobicContact CD1-CZ 3.81Å; L215-F278 HydrophobicContact CD2-CD2 3.94Å; L215-F278 HydrophobicContact CD2-CE2 3.42Å; L215-F278 VanDerWaalsContact CD2-CE2 3.42Å; L215-F278 HydrophobicContact CD2-CZ 3.82Å; L215-F278 HydrophobicContact CG-CE2 4.47Å; L215-F278 HydrophobicContact CG-CZ 4.5Å
216L81.3Confident83.5Confident163 Ų16359.4 Ų59.485%0.85333%0.326SS*.SBendtrans-70.4142.3179.4-66.6171.7000110.5W220L216-W220 PolarHBondContact O-NE1 3.3Å
217G81.1Confident82.9Confident39 Ų3959.7 Ų59.740%0.40233%0.328SS..  trans81.1162.1179.600000114.3
218N83.6Confident83Confident107 Ų10763.1 Ų63.157%0.57235%0.348SS*.SBendtrans-118.816.7170.5-64.5-33.3000110.5N187 V188 G189 W220N187-N218 CarbonylContact C-O 3.38Å; N187-N218 WeakPolarHBondContact CA-O 3.31Å; V188-N218 CarbonylContact C-O 3.55Å; V188-N218 PolarHBondContact N-O 3.2Å; V188-N218 VanDerWaalsContact N-O 3.12Å; V188-N218 CarbonylContact O-C 3.56Å; G189-N218 WeakPolarHBondContact CA-OD1 3.49Å; N218-W220 VanDerWaalsContact C-N 3.27Å; N218-W220 PolarHBondContact O-N 3.32Å
219D88.2Confident84.1Confident45 Ų4560.4 Ų60.424%0.24133%0.329CS..  trans-9218-176.954.4-5.3000112.4K166 G167K166-D219 WeakPolarHBondContact CE-OD2 2.96Å; K166-D219 IonicContact NZ-OD2 3.79Å; K166-D219 PolarHBondContact NZ-OD2 3.48Å; G167-D219 WeakPolarHBondContact CA-O 3.42Å; G167-D219 PolarHBondContact N-O 3.41Å
220W92.2Very high85Confident7 Ų757 Ų573%0.02731%0.314CS..EExtended strand (participates in β ladder)trans-76.1145.6179.6-63.876.6000111.2S186 N187 V188 I190 L215 L216 N218 T256 N274 F278 H281S186-W220 CarbonylContact C-O 3.33Å; N187-W220 PolarHBondContact N-O 2.86Å; V188-W220 HydrophobicContact CG2-CB 4.16Å; V188-W220 WeakPolarHBondContact CG2-O 3.25Å; V188-W220 PolarHBondContact N-O 3.16Å; V188-W220 VanDerWaalsContact N-O 3.11Å; V188-W220 VanDerWaalsContact O-CB 3.26Å; V188-W220 WeakPolarHBondContact O-CB 3.32Å; V188-W220 PolarHBondContact O-N 3.32Å; I190-W220 HydrophobicContact CD1-CB 4.44Å; I190-W220 HydrophobicContact CD1-CD2 3.31Å; I190-W220 HydrophobicContact CD1-CE3 3.22Å; I190-W220 HydrophobicContact CD1-CG 3.86Å; I190-W220 HydrophobicContact CD1-CH2 4.07Å; I190-W220 HydrophobicContact CD1-CZ2 4.18Å; I190-W220 HydrophobicContact CD1-CZ3 3.6Å; I190-W220 HydrophobicContact CG1-CB 4.44Å; I190-W220 HydrophobicContact CG1-CD2 3.65Å; I190-W220 HydrophobicContact CG1-CE3 4.11Å; I190-W220 HydrophobicContact CG1-CG 3.78Å; I190-W220 HydrophobicContact CG2-CB 4.37Å; L215-W220 HydrophobicContact CB-CZ2 3.96Å; L215-W220 HydrophobicContact CD1-CH2 3.76Å; L215-W220 HydrophobicContact CD1-CZ2 3.73Å; L215-W220 HydrophobicContact CD1-CZ3 4.41Å; L215-W220 HydrophobicContact CG-CZ2 4.44Å; L216-W220 PolarHBondContact O-NE1 3.3Å; N218-W220 VanDerWaalsContact C-N 3.27Å; N218-W220 PolarHBondContact O-N 3.32Å; W220-T256 HydrophobicContact CE3-CG2 4.33Å; W220-T256 HydrophobicContact CZ3-CG2 4.5Å; W220-N274 HydrophobicContact CD2-CB 3.99Å; W220-N274 HydrophobicContact CE3-CB 3.51Å; W220-N274 HydrophobicContact CH2-CB 4.1Å; W220-N274 HydrophobicContact CZ3-CB 3.61Å; W220-F278 HydrophobicContact CH2-CB 3.74Å; W220-F278 AromaticContact CH2-CD1 3.59Å; W220-F278 HydrophobicContact CH2-CD1 3.59Å; W220-F278 HydrophobicContact CH2-CE1 4.31Å; W220-F278 AromaticContact CH2-CG 3.8Å; W220-F278 HydrophobicContact CH2-CG 3.8Å; W220-F278 HydrophobicContact CZ2-CB 4.32Å; W220-F278 HydrophobicContact CZ2-CG 4.49Å; W220-F278 HydrophobicContact CZ3-CD1 4.24Å; W220-H281 AromaticContact CZ3-CE1 3.37Å; W220-H281 WeakPolarHBondContact CZ3-CE1 3.46Å; W220-H281 AromaticContact CZ3-NE2 3.57Å
221A92.8Very high85.5Confident0 Ų057.5 Ų57.50%032%0.315CS..EExtended strand (participates in β ladder)trans-107.1138.7162.700000110.1H165 V184 H185 G273H165-A221 VanDerWaalsContact CD2-CB 3.41Å; H165-A221 WeakPolarHBondContact CD2-CB 3.37Å; V184-A221 HydrophobicContact CG1-CB 3.96Å; H185-A221 CarbonylContact O-C 3.55Å; H185-A221 WeakPolarHBondContact O-CA 3.43Å; A221-G273 PolarHBondContact N-O 3.41Å; A221-G273 VanDerWaalsContact O-CA 3.27Å; A221-G273 WeakPolarHBondContact O-CA 3.48Å
222V92.6Very high86Confident1 Ų156 Ų561%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-124.5143.4174.9-60.30000110.7H185 V188 I190 H254 A255 T256H185-V222 HydrophobicContact CB-CG2 3.82Å; H185-V222 PolarHBondContact N-O 2.75Å; H185-V222 PolarHBondContact O-N 3.24Å; V188-V222 HydrophobicContact CG2-CG1 3.82Å; V188-V222 HydrophobicContact CG2-CG2 4.04Å; I190-V222 HydrophobicContact CG2-CG1 4.01Å; V222-H254 HydrophobicContact CB-CB 3.72Å; V222-H254 HydrophobicContact CG1-CB 4.12Å; V222-H254 HydrophobicContact CG2-CB 3.83Å; V222-A255 CarbonylContact C-O 3.59Å; V222-A255 WeakPolarHBondContact CA-O 3.44Å; V222-T256 HydrophobicContact CG1-CG2 4.16Å
223F91.8Very high86.5Confident7 Ų749.3 Ų49.33%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-98.7123.4-176.2-54.2-79.2000110.1F182 V184 I225 A255 T256 I258 L271F182-F223 HydrophobicContact CD2-CD1 4.1Å; F182-F223 AromaticContact CE2-CD1 3.69Å; F182-F223 HydrophobicContact CE2-CD1 3.69Å; F182-F223 HydrophobicContact CE2-CE1 4.15Å; F182-F223 HydrophobicContact CZ-CD1 4.46Å; V184-F223 HydrophobicContact CG2-CD1 3.97Å; V184-F223 HydrophobicContact CG2-CE1 4.13Å; F223-I225 HydrophobicContact CB-CG1 4.43Å; F223-A255 HydrophobicContact CB-CB 4.37Å; F223-A255 WeakPolarHBondContact CD2-O 3.27Å; F223-A255 PolarHBondContact N-O 2.93Å; F223-A255 PolarHBondContact O-N 2.89Å; F223-T256 WeakPolarHBondContact CE2-O 3.29Å; F223-I258 HydrophobicContact CB-CD1 4.06Å; F223-I258 HydrophobicContact CB-CG2 3.7Å; F223-I258 HydrophobicContact CD1-CD1 3.83Å; F223-I258 HydrophobicContact CD1-CG1 4.37Å; F223-I258 HydrophobicContact CD2-CB 4.45Å; F223-I258 HydrophobicContact CD2-CD1 4.28Å; F223-I258 HydrophobicContact CD2-CG1 4.03Å; F223-I258 HydrophobicContact CD2-CG2 3.68Å; F223-I258 HydrophobicContact CE1-CD1 4.35Å; F223-I258 HydrophobicContact CE2-CG1 4.3Å; F223-I258 HydrophobicContact CG-CD1 3.79Å; F223-I258 HydrophobicContact CG-CG1 4.07Å; F223-I258 HydrophobicContact CG-CG2 3.87Å; F223-L271 HydrophobicContact CE1-CB 4.46Å; F223-L271 HydrophobicContact CZ-CB 4.06Å
224Q88.9Confident87.1Confident93 Ų9348.1 Ų48.144%0.43527%0.266SS..EExtended strand (participates in β ladder)trans-98.1100.8171.3-176.9177.9-7.400109.1F182 L183 H185F182-Q224 WeakPolarHBondContact CB-O 3.47Å; L183-Q224 HydrophobicContact CB-CB 4.3Å; L183-Q224 PolarHBondContact N-O 3.26Å; L183-Q224 PolarHBondContact O-N 3.18Å; H185-Q224 PolarHBondContact NE2-OE1 3.04Å
225I84.4Confident87.5Confident14 Ų1444.9 Ų44.97%0.07224%0.242CC..  trans-98.8123.7-177.4-63.6164.4000110.1F182 F223 H227 P232 I258F182-I225 HydrophobicContact CB-CG1 4.42Å; F223-I225 HydrophobicContact CB-CG1 4.43Å; I225-H227 WeakPolarHBondContact CG2-O 3.4Å; I225-P232 HydrophobicContact CD1-CG 4.17Å; I225-I258 HydrophobicContact CD1-CB 3.75Å; I225-I258 HydrophobicContact CD1-CD1 4.15Å; I225-I258 HydrophobicContact CD1-CG2 3.23Å; I225-I258 HydrophobicContact CG1-CD1 4.49Å; I225-I258 HydrophobicContact CG1-CG2 4.28Å
226N79.8Confident87.8Confident157 Ų15743.9 Ų43.984%0.8424%0.237SC*.  trans-125.247.1167-164.116.6000110.8
227H80.7Confident88.1Confident83 Ų8338.9 Ų38.938%0.38421%0.208SC..SBendtrans-150.1136.6-175.9-165.9-85.5000111.2P181 I225 A229 Y230P181-H227 HydrophobicContact CG-CB 4.41Å; I225-H227 WeakPolarHBondContact CG2-O 3.4Å; H227-A229 VanDerWaalsContact C-N 3.27Å; H227-A229 WeakPolarHBondContact ND1-CB 3.44Å; H227-A229 PolarHBondContact ND1-N 3.4Å; H227-A229 VanDerWaalsContact ND1-N 3.14Å; H227-A229 PolarHBondContact O-N 3.31Å; H227-Y230 HydrophobicContact CB-CD2 4.16Å; H227-Y230 PolarHBondContact O-N 3.37Å
228T83.8Confident88.2Confident103 Ų10339.2 Ų39.263%0.63220%0.203SC*.THydrogen-bonded Turntrans-71.9-17.1-173.753.50000114.3Y230T228-Y230 PolarHBondContact O-N 2.86Å
229A86.4Confident88.1Confident1 Ų137.6 Ų37.61%0.00819%0.19CC..THydrogen-bonded Turntrans-72.3-9.4176.100000114.3H227 L261 L263H227-A229 VanDerWaalsContact C-N 3.27Å; H227-A229 WeakPolarHBondContact ND1-CB 3.44Å; H227-A229 PolarHBondContact ND1-N 3.4Å; H227-A229 VanDerWaalsContact ND1-N 3.14Å; H227-A229 PolarHBondContact O-N 3.31Å; A229-L261 WeakPolarHBondContact O-CB 3.2Å; A229-L261 WeakPolarHBondContact O-CG 3.32Å; A229-L261 PolarHBondContact O-N 3.33Å; A229-L263 HydrophobicContact CB-CB 3.98Å; A229-L263 HydrophobicContact CB-CD1 4.09Å; A229-L263 HydrophobicContact CB-CG 4.29Å
230Y90Very high87Confident7 Ų739.8 Ų39.83%0.02721%0.206CC..EExtended strand (participates in β ladder)trans-120.7135.4-179.9-58.1-91.1000110.2F180 P181 F182 H227 T228 I258 H259 D260F180-Y230 HydrophobicContact CD1-CE1 4.28Å; F180-Y230 WeakPolarHBondContact CD1-OH 3.45Å; P181-Y230 WeakPolarHBondContact CD-OH 3.39Å; P181-Y230 HydrophobicContact CG-CD2 4.43Å; P181-Y230 HydrophobicContact CG-CE2 3.51Å; F182-Y230 HydrophobicContact CD1-CD1 4.09Å; F182-Y230 HydrophobicContact CD1-CD2 4.34Å; F182-Y230 AromaticContact CD1-CE1 3.88Å; F182-Y230 HydrophobicContact CD1-CE1 3.88Å; F182-Y230 HydrophobicContact CD1-CE2 4.16Å; F182-Y230 HydrophobicContact CD1-CG 4.32Å; F182-Y230 AromaticContact CD1-CZ 3.95Å; F182-Y230 AromaticContact CE1-CD1 3.97Å; F182-Y230 HydrophobicContact CE1-CD1 3.97Å; F182-Y230 AromaticContact CE1-CE1 3.55Å; F182-Y230 HydrophobicContact CE1-CE1 3.55Å; F182-Y230 AromaticContact CE1-CZ 3.93Å; H227-Y230 HydrophobicContact CB-CD2 4.16Å; H227-Y230 PolarHBondContact O-N 3.37Å; T228-Y230 PolarHBondContact O-N 2.86Å; Y230-I258 HydrophobicContact CD1-CD1 4.22Å; Y230-H259 CarbonylContact C-O 3.55Å; Y230-H259 VanDerWaalsContact CA-O 3.31Å; Y230-H259 WeakPolarHBondContact CA-O 3.2Å; Y230-D260 HydrophobicContact CD1-CB 3.75Å; Y230-D260 HydrophobicContact CE1-CB 3.5Å; Y230-D260 VanDerWaalsContact CE1-CB 3.5Å
231Q90.9Very high85.3Confident59 Ų5944 Ų4428%0.27623%0.233SC..EExtended strand (participates in β ladder)trans-116.7122.6177.5-68.9-177-22.100109.8I258 H259 L261Q231-I258 WeakPolarHBondContact O-CA 3.24Å; Q231-H259 HydrophobicContact CB-CB 4.45Å; Q231-H259 PolarHBondContact N-O 3.45Å; Q231-H259 PolarHBondContact O-N 2.95Å; Q231-L261 HydrophobicContact CG-CD1 4.21Å; Q231-L261 HydrophobicContact CG-CD2 4.47Å; Q231-L261 HydrophobicContact CG-CG 4.46Å
232P91.4Very high82.9Confident7 Ų753.3 Ų53.35%0.04528%0.277CS..EExtended strand (participates in β ladder)trans-60.8139.4168.7-24.635.5000111.7N196 I225 F235 A255N196-P232 WeakPolarHBondContact CB-O 3.47Å; N196-P232 PolarHBondContact ND2-O 2.86Å; I225-P232 HydrophobicContact CD1-CG 4.17Å; P232-F235 HydrophobicContact CB-CD1 3.91Å; P232-F235 HydrophobicContact CB-CE1 3.23Å; P232-F235 HydrophobicContact CB-CE2 4.34Å; P232-F235 HydrophobicContact CB-CZ 3.49Å; P232-F235 VanDerWaalsContact CB-CZ 3.49Å; P232-F235 HydrophobicContact CG-CE1 3.67Å; P232-F235 HydrophobicContact CG-CZ 4.12Å; P232-A255 HydrophobicContact CB-CB 3.87Å; P232-A255 HydrophobicContact CG-CB 4.28Å
233V93.2Very high80.3Confident0 Ų061 Ų610%032%0.318CS..EExtended strand (participates in β ladder)trans-110.9-45.1179.2-177.20000110.9N196 L201 V257 H259 I284N196-V233 PolarHBondContact N-O 3.35Å; L201-V233 HydrophobicContact CD1-CG1 4.16Å; L201-V233 HydrophobicContact CD1-CG2 3.61Å; V233-V257 HydrophobicContact CB-CB 4.09Å; V233-V257 HydrophobicContact CB-CG1 3.96Å; V233-V257 HydrophobicContact CG1-CG1 4.46Å; V233-V257 HydrophobicContact CG2-CG1 4.28Å; V233-V257 PolarHBondContact N-O 3.05Å; V233-H259 HydrophobicContact CG2-CB 3.96Å; V233-I284 HydrophobicContact CG1-CD1 4.01Å; V233-I284 HydrophobicContact CG1-CG1 4.31Å; V233-I284 HydrophobicContact CG1-CG2 3.85Å
234I92.2Very high77.8Confident0 Ų067.1 Ų67.10%035%0.35CS..EExtended strand (participates in β ladder)trans-121.6134.6170.7-60.9178.4000108C193 C194 A255 T256 V257 L280 I284C193-I234 HydrophobicContact CB-CG2 4.31Å; C194-I234 CarbonylContact O-C 3.26Å; C194-I234 WeakPolarHBondContact O-CA 3.49Å; I234-A255 CarbonylContact O-C 3.54Å; I234-A255 VanDerWaalsContact O-CA 3.28Å; I234-A255 WeakPolarHBondContact O-CA 3.35Å; I234-T256 WeakPolarHBondContact CB-OG1 3.31Å; I234-T256 WeakPolarHBondContact CG2-OG1 3.2Å; I234-T256 PolarHBondContact O-N 3.18Å; I234-V257 HydrophobicContact CB-CB 4.28Å; I234-V257 HydrophobicContact CB-CG2 4.24Å; I234-V257 HydrophobicContact CD1-CG2 3.91Å; I234-V257 HydrophobicContact CG1-CB 4.35Å; I234-V257 HydrophobicContact CG1-CG2 4.2Å; I234-V257 PolarHBondContact N-O 2.98Å; I234-L280 HydrophobicContact CD1-CB 4.03Å; I234-I284 HydrophobicContact CD1-CB 4.5Å; I234-I284 HydrophobicContact CD1-CG1 3.69Å; I234-I284 HydrophobicContact CG1-CG1 4.05Å
235F89.1Confident75.2Confident28 Ų2867.6 Ų67.612%0.12336%0.364CS..EExtended strand (participates in β ladder)trans-109.1153.5168.9-46.8-92.9000111C193 C194 N196 P232 L253 H254C193-F235 CarbonylContact C-O 3.57Å; C193-F235 VanDerWaalsContact CA-O 3.24Å; C193-F235 WeakPolarHBondContact CA-O 3.31Å; C194-F235 PolarHBondContact N-O 3.07Å; C194-F235 PolarHBondContact O-N 3.2Å; N196-F235 HydrophobicContact CB-CE2 3.79Å; N196-F235 HydrophobicContact CB-CZ 4.43Å; P232-F235 HydrophobicContact CB-CD1 3.91Å; P232-F235 HydrophobicContact CB-CE1 3.23Å; P232-F235 HydrophobicContact CB-CE2 4.34Å; P232-F235 HydrophobicContact CB-CZ 3.49Å; P232-F235 VanDerWaalsContact CB-CZ 3.49Å; P232-F235 HydrophobicContact CG-CE1 3.67Å; P232-F235 HydrophobicContact CG-CZ 4.12Å; F235-L253 HydrophobicContact CB-CB 4.18Å; F235-L253 HydrophobicContact CB-CD1 4.35Å; F235-L253 HydrophobicContact CB-CD2 4.36Å; F235-L253 HydrophobicContact CD1-CB 4.36Å; F235-H254 CarbonylContact C-O 3.54Å; F235-H254 VanDerWaalsContact CA-O 3.3Å; F235-H254 WeakPolarHBondContact CA-O 3.24Å
236A89.2Confident72.9Confident0 Ų072.5 Ų72.50%040%0.397CS..EExtended strand (participates in β ladder)trans-144.2158.7171.400000111.1I190 H254 T256I190-A236 HydrophobicContact CB-CB 3.99Å; I190-A236 HydrophobicContact CD1-CB 3.83Å; I190-A236 HydrophobicContact CG1-CB 4.43Å; I190-A236 HydrophobicContact CG2-CB 4.41Å; A236-H254 PolarHBondContact N-O 3.32Å; A236-H254 PolarHBondContact O-N 3.04Å; A236-T256 HydrophobicContact CB-CG2 3.78Å
237K86.7Confident70.9Confident58 Ų5869 Ų6925%0.25238%0.383SS..EExtended strand (participates in β ladder)trans-89.6139.4169-63.8179.9-175.5167.80109.9I190 K191 D192 S251 L253I190-K237 CarbonylContact C-O 3.54Å; I190-K237 VanDerWaalsContact CA-O 3.24Å; I190-K237 WeakPolarHBondContact CA-O 3.37Å; K191-K237 HydrophobicContact CG-CB 4.1Å; K191-K237 PolarHBondContact N-O 3.03Å; K191-K237 WeakPolarHBondContact O-CB 3.45Å; K191-K237 PolarHBondContact O-N 3.26Å; D192-K237 HydrophobicContact CB-CD 4.17Å; D192-K237 HydrophobicContact CB-CG 4.45Å; D192-K237 IonicContact OD2-NZ 3.47Å; K237-S251 WeakPolarHBondContact CD-OG 3.32Å; K237-S251 WeakPolarHBondContact CE-OG 3.16Å; K237-L253 HydrophobicContact CG-CD2 3.73Å
238V84.7Confident69Low47 Ų4772.6 Ų72.629%0.28541%0.411SS..EExtended strand (participates in β ladder)trans-77137.71721790000109.4V188 T240V188-V238 HydrophobicContact CB-CG1 4.35Å; V238-T240 PolarHBondContact O-N 2.82Å
239K80.9Confident66.8Low72 Ų7272.8 Ų72.831%0.31341%0.412SS..  trans-68.3114.4172.5-66.6-179.6-169.5168.10108.6G189 I190 K191 L215G189-K239 PolarHBondContact O-N 3.33Å; I190-K239 WeakPolarHBondContact O-CE 3.46Å; K191-K239 HydrophobicContact CB-CG 4.42Å; K191-K239 HydrophobicContact CG-CG 4.44Å; L215-K239 PolarHBondContact O-NZ 3.21Å
240T66Low64.9Low92 Ų9280.4 Ų80.456%0.56445%0.445SS*.  trans-74.8138166.944.30000109.6V238 E242V238-T240 PolarHBondContact O-N 2.82Å; T240-E242 PolarHBondContact O-N 3.26Å
241P55Low63.3Low94 Ų9483.5 Ų83.561%0.6147%0.468SS*.  trans-61.3136.8174.322.8-29.8000110.4N243 L244P241-N243 PolarHBondContact O-N 3.29Å; P241-L244 HydrophobicContact CG-CD1 4.36Å
242E44Very low62.2Low197 Ų19786.5 Ų86.592%0.92148%0.484SS*.THydrogen-bonded Turntrans-63.5-1.2-169.7-68.6179.7162.400115.4T240T240-E242 PolarHBondContact O-N 3.26Å
243N36.7Very low61.7Low162 Ų16287.9 Ų87.987%0.86649%0.491SS*.THydrogen-bonded Turntrans-105.216-174.7-76.1-15.2000115.5P241P241-N243 PolarHBondContact O-N 3.29Å
244L39.4Very low61.4Low135 Ų13589.8 Ų89.871%0.70750%0.5SS*.SBendtrans-120.5135175.3-77.1158.6000110.3P241P241-L244 HydrophobicContact CG-CD1 4.36Å
245S34.6Very low61.4Low103 Ų10390 Ų9072%0.7250%0.502SS*.PPolyproline II helixtrans-49.1148.9172.636.40000111.3
246P36.6Very low61.6Low117 Ų11788.7 Ų88.776%0.7650%0.496SS*.PPolyproline II helixtrans-56.9128.2-173.422.1-31.6000109.7T248P246-T248 PolarHBondContact O-N 3.23Å
247P38.1Very low61.9Low83 Ų8388.7 Ų88.754%0.53950%0.496SS..PPolyproline II helixtrans-62.5128172.8-8.219.7000108.5T249P247-T249 WeakPolarHBondContact CB-OG1 3.49Å; P247-T249 PolarHBondContact O-N 3.22Å
248T40Very low62.4Low159 Ų15985.9 Ų85.998%0.97548%0.484SS*.SBendtrans-69.214.2166.718.90000112.9P246P246-T248 PolarHBondContact O-N 3.23Å
249T38.4Very low62.9Low107 Ų10783.7 Ų83.766%0.65647%0.47SS*.SBendtrans-110.3129.8-179.734.70000110.7P247 S251P247-T249 WeakPolarHBondContact CB-OG1 3.49Å; P247-T249 PolarHBondContact O-N 3.22Å; T249-S251 PolarHBondContact O-N 3.38Å
250K46.4Very low63.6Low161 Ų16180.3 Ų80.370%0.746%0.456SS*.  trans-41.4125.7173.7-72.8177175-179.60110.6I252K250-I252 PolarHBondContact O-N 3.27Å
251S54.9Low64.9Low73 Ų7377.6 Ų77.651%0.5144%0.438SS..  trans-46.8108.2176.7161.60000111.6K237 T249 L253K237-S251 WeakPolarHBondContact CD-OG 3.32Å; K237-S251 WeakPolarHBondContact CE-OG 3.16Å; T249-S251 PolarHBondContact O-N 3.38Å; S251-L253 PolarHBondContact O-N 2.72Å
252I69.7Low66.6Low121 Ų12173.5 Ų73.562%0.62141%0.413SS*.  trans-72.8124.4178-58175.4000108.9K250 H254K250-I252 PolarHBondContact O-N 3.27Å; I252-H254 PolarHBondContact O-CD2 2.79Å
253L79.3Confident68.8Low37 Ų3769.8 Ų69.819%0.19440%0.398CS..EExtended strand (participates in β ladder)trans-87.1137.1172-71.7173.3000110.1L55 F235 K237 S251L55-L253 HydrophobicContact CB-CD1 3.98Å; L55-L253 HydrophobicContact CD1-CD1 3.71Å; L55-L253 HydrophobicContact CD2-CD1 3.91Å; L55-L253 HydrophobicContact CG-CD1 4.06Å; F235-L253 HydrophobicContact CB-CB 4.18Å; F235-L253 HydrophobicContact CB-CD1 4.35Å; F235-L253 HydrophobicContact CB-CD2 4.36Å; F235-L253 HydrophobicContact CD1-CB 4.36Å; K237-L253 HydrophobicContact CG-CD2 3.73Å; S251-L253 PolarHBondContact O-N 2.72Å
254H87.3Confident71.2Confident40 Ų4069.3 Ų69.319%0.18539%0.391CS..EExtended strand (participates in β ladder)trans-116.7144.1176.2-63.7-100.9000110.4V222 F235 A236 I252V222-H254 HydrophobicContact CB-CB 3.72Å; V222-H254 HydrophobicContact CG1-CB 4.12Å; V222-H254 HydrophobicContact CG2-CB 3.83Å; F235-H254 CarbonylContact C-O 3.54Å; F235-H254 VanDerWaalsContact CA-O 3.3Å; F235-H254 WeakPolarHBondContact CA-O 3.24Å; A236-H254 PolarHBondContact N-O 3.32Å; A236-H254 PolarHBondContact O-N 3.04Å; I252-H254 PolarHBondContact O-CD2 2.79Å
255A91.9Very high73.6Confident4 Ų465.4 Ų65.43%0.03337%0.37CS..EExtended strand (participates in β ladder)trans-80.1129.5-18000000110.6V222 F223 P232 I234 I258V222-A255 CarbonylContact C-O 3.59Å; V222-A255 WeakPolarHBondContact CA-O 3.44Å; F223-A255 HydrophobicContact CB-CB 4.37Å; F223-A255 WeakPolarHBondContact CD2-O 3.27Å; F223-A255 PolarHBondContact N-O 2.93Å; F223-A255 PolarHBondContact O-N 2.89Å; P232-A255 HydrophobicContact CB-CB 3.87Å; P232-A255 HydrophobicContact CG-CB 4.28Å; I234-A255 CarbonylContact O-C 3.54Å; I234-A255 VanDerWaalsContact O-CA 3.28Å; I234-A255 WeakPolarHBondContact O-CA 3.35Å; A255-I258 HydrophobicContact CB-CG2 3.53Å
256T93.9Very high76.2Confident0 Ų062.9 Ų62.90%036%0.361CS..EExtended strand (participates in β ladder)trans-97.3-19.1171.159.10000111.9I190 W220 V222 F223 I234 A236 G273I190-T256 HydrophobicContact CD1-CG2 3.55Å; W220-T256 HydrophobicContact CE3-CG2 4.33Å; W220-T256 HydrophobicContact CZ3-CG2 4.5Å; V222-T256 HydrophobicContact CG1-CG2 4.16Å; F223-T256 WeakPolarHBondContact CE2-O 3.29Å; I234-T256 WeakPolarHBondContact CB-OG1 3.31Å; I234-T256 WeakPolarHBondContact CG2-OG1 3.2Å; I234-T256 PolarHBondContact O-N 3.18Å; A236-T256 HydrophobicContact CB-CG2 3.78Å; T256-G273 WeakPolarHBondContact O-CA 3.38Å; T256-G273 PolarHBondContact O-N 3.24Å
257V96.4Very high79Confident0 Ų057.4 Ų57.40%033%0.325CS..EExtended strand (participates in β ladder)trans-135.7135.6172.2-175.50000109.4V233 I234 V270 L271 F272 I284V233-V257 HydrophobicContact CB-CB 4.09Å; V233-V257 HydrophobicContact CB-CG1 3.96Å; V233-V257 HydrophobicContact CG1-CG1 4.46Å; V233-V257 HydrophobicContact CG2-CG1 4.28Å; V233-V257 PolarHBondContact N-O 3.05Å; I234-V257 HydrophobicContact CB-CB 4.28Å; I234-V257 HydrophobicContact CB-CG2 4.24Å; I234-V257 HydrophobicContact CD1-CG2 3.91Å; I234-V257 HydrophobicContact CG1-CB 4.35Å; I234-V257 HydrophobicContact CG1-CG2 4.2Å; I234-V257 PolarHBondContact N-O 2.98Å; V257-V270 HydrophobicContact CG1-CG1 3.83Å; V257-L271 VanDerWaalsContact CA-O 3.31Å; V257-L271 WeakPolarHBondContact CA-O 3.45Å; V257-F272 HydrophobicContact CB-CD1 4.49Å; V257-F272 HydrophobicContact CG1-CD1 4.13Å; V257-F272 HydrophobicContact CG1-CE1 4Å; V257-F272 HydrophobicContact CG1-CG 4.46Å; V257-F272 HydrophobicContact CG1-CZ 4.23Å; V257-F272 HydrophobicContact CG2-CD1 3.54Å; V257-F272 HydrophobicContact CG2-CE1 3.86Å; V257-F272 HydrophobicContact CG2-CG 4.3Å; V257-I284 HydrophobicContact CG1-CG2 3.94Å
258I96.1Very high81.8Confident0 Ų054.9 Ų54.90%031%0.306CS..EExtended strand (participates in β ladder)trans-132.7144.9-178.465.3168000111.4F182 F223 I225 Y230 Q231 A255 V270 L271F182-I258 HydrophobicContact CD1-CD1 4.24Å; F182-I258 HydrophobicContact CE1-CD1 3.81Å; F182-I258 HydrophobicContact CE2-CD1 4.16Å; F182-I258 HydrophobicContact CZ-CD1 3.79Å; F223-I258 HydrophobicContact CB-CD1 4.06Å; F223-I258 HydrophobicContact CB-CG2 3.7Å; F223-I258 HydrophobicContact CD1-CD1 3.83Å; F223-I258 HydrophobicContact CD1-CG1 4.37Å; F223-I258 HydrophobicContact CD2-CB 4.45Å; F223-I258 HydrophobicContact CD2-CD1 4.28Å; F223-I258 HydrophobicContact CD2-CG1 4.03Å; F223-I258 HydrophobicContact CD2-CG2 3.68Å; F223-I258 HydrophobicContact CE1-CD1 4.35Å; F223-I258 HydrophobicContact CE2-CG1 4.3Å; F223-I258 HydrophobicContact CG-CD1 3.79Å; F223-I258 HydrophobicContact CG-CG1 4.07Å; F223-I258 HydrophobicContact CG-CG2 3.87Å; I225-I258 HydrophobicContact CD1-CB 3.75Å; I225-I258 HydrophobicContact CD1-CD1 4.15Å; I225-I258 HydrophobicContact CD1-CG2 3.23Å; I225-I258 HydrophobicContact CG1-CD1 4.49Å; I225-I258 HydrophobicContact CG1-CG2 4.28Å; Y230-I258 HydrophobicContact CD1-CD1 4.22Å; Q231-I258 WeakPolarHBondContact O-CA 3.24Å; A255-I258 HydrophobicContact CB-CG2 3.53Å; I258-V270 WeakPolarHBondContact O-CA 3.44Å; I258-L271 HydrophobicContact CD1-CB 4.39Å; I258-L271 HydrophobicContact CD1-CD1 4.16Å; I258-L271 HydrophobicContact CG1-CB 3.8Å; I258-L271 HydrophobicContact CG1-CD1 4.4Å; I258-L271 HydrophobicContact CG1-CG 4.42Å; I258-L271 PolarHBondContact N-O 3.01Å; I258-L271 PolarHBondContact O-N 3.38Å
259H96.2Very high84.5Confident1 Ų147.3 Ų47.31%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-107.1113.5174178.9-161.5000109.2L201 Y230 Q231 V233 R269 F291L201-H259 HydrophobicContact CD1-CB 4.2Å; Y230-H259 CarbonylContact C-O 3.55Å; Y230-H259 VanDerWaalsContact CA-O 3.31Å; Y230-H259 WeakPolarHBondContact CA-O 3.2Å; Q231-H259 HydrophobicContact CB-CB 4.45Å; Q231-H259 PolarHBondContact N-O 3.45Å; Q231-H259 PolarHBondContact O-N 2.95Å; V233-H259 HydrophobicContact CG2-CB 3.96Å; H259-R269 CarbonylContact C-O 3.52Å; H259-R269 WeakPolarHBondContact CA-O 3.37Å; H259-R269 PolarHBondContact CD2-O 3.38Å; H259-F291 AromaticContact CE1-CE1 3.54Å; H259-F291 AromaticContact CE1-CZ 3.85Å; H259-F291 AromaticContact NE2-CE1 3.65Å
260D95.6Very high87.3Confident1 Ų142.2 Ų42.21%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-79.8115.6166.7-177-3.8000109.1Y230 G262 Q268 R269Y230-D260 HydrophobicContact CD1-CB 3.75Å; Y230-D260 HydrophobicContact CE1-CB 3.5Å; Y230-D260 VanDerWaalsContact CE1-CB 3.5Å; D260-G262 PolarHBondContact O-N 2.93Å; D260-G262 PolarHBondContact OD1-N 3.17Å; D260-Q268 WeakPolarHBondContact O-CA 3.4Å; D260-R269 HydrophobicContact CB-CB 3.86Å; D260-R269 HydrophobicContact CB-CG 4.29Å; D260-R269 PolarHBondContact N-O 3.04Å; D260-R269 PolarHBondContact O-N 3.43Å; D260-R269 IonicContact OD2-NH1 3.45Å; D260-R269 PolarHBondContact OD2-NH1 2.68Å
261L92.6Very high89.8Confident35 Ų3534.7 Ų34.718%0.18320%0.196CC..  trans-71.9-6.8-178.7-62.1177.3000113A229 Q231 L263A229-L261 WeakPolarHBondContact O-CB 3.2Å; A229-L261 WeakPolarHBondContact O-CG 3.32Å; A229-L261 PolarHBondContact O-N 3.33Å; Q231-L261 HydrophobicContact CG-CD1 4.21Å; Q231-L261 HydrophobicContact CG-CD2 4.47Å; Q231-L261 HydrophobicContact CG-CG 4.46Å; L261-L263 VanDerWaalsContact C-N 3.31Å; L261-L263 HydrophobicContact CB-CD1 4.43Å; L261-L263 HydrophobicContact CB-CD2 4.47Å; L261-L263 HydrophobicContact CB-CG 3.93Å; L261-L263 HydrophobicContact CD1-CD1 4.34Å; L261-L263 PolarHBondContact O-N 3.49Å
262G91.4Very high91.8Very high8 Ų831.2 Ų31.28%0.08217%0.171CC..  trans73.220.9-17900000113.5D260 H264 G266 I267D260-G262 PolarHBondContact O-N 2.93Å; D260-G262 PolarHBondContact OD1-N 3.17Å; G262-H264 PolarHBondContact O-N 3.38Å; G262-G266 WeakPolarHBondContact O-CA 3.37Å; G262-G266 PolarHBondContact O-N 2.87Å; G262-I267 WeakPolarHBondContact CA-O 3.25Å
263L90.1Very high93Very high118 Ų11825.5 Ų25.562%0.61814%0.142SC*.THydrogen-bonded Turntrans-69.9-18-177.2-61-176.8000113.6A229 L261A229-L263 HydrophobicContact CB-CB 3.98Å; A229-L263 HydrophobicContact CB-CD1 4.09Å; A229-L263 HydrophobicContact CB-CG 4.29Å; L261-L263 VanDerWaalsContact C-N 3.31Å; L261-L263 HydrophobicContact CB-CD1 4.43Å; L261-L263 HydrophobicContact CB-CD2 4.47Å; L261-L263 HydrophobicContact CB-CG 3.93Å; L261-L263 HydrophobicContact CD1-CD1 4.34Å; L261-L263 PolarHBondContact O-N 3.49Å
264H86Confident93.7Very high153 Ų15324 Ų2471%0.70813%0.134SC*.THydrogen-bonded Turntrans-91-45.9-178.3-176.4-92.5000112.7G262G262-H264 PolarHBondContact O-N 3.38Å
265D89.6Confident94Very high53 Ų5323 Ų2328%0.28313%0.13SC..THydrogen-bonded Turntrans-125.92.4-17261.45.9000114.2V155 I267 R269V155-D265 WeakPolarHBondContact CG2-O 3.25Å; D265-I267 VanDerWaalsContact C-N 3.34Å; D265-I267 PolarHBondContact OD1-N 3.32Å; D265-I267 VanDerWaalsContact OD1-N 3.1Å; D265-R269 IonicContact OD1-CZ 3.83Å; D265-R269 IonicContact OD1-NH1 3.72Å; D265-R269 PolarHBondContact OD1-NH1 2.98Å; D265-R269 IonicContact OD1-NH2 3.83Å; D265-R269 IonicContact OD2-CZ 3Å; D265-R269 VanDerWaalsContact OD2-CZ 3.24Å; D265-R269 IonicContact OD2-NH1 2.69Å; D265-R269 PolarHBondContact OD2-NH1 2.64Å; D265-R269 IonicContact OD2-NH2 3.46Å; D265-R269 PolarHBondContact OD2-NH2 3.33Å
266G90.4Very high94.2Very high50 Ų5023.1 Ų23.152%0.51513%0.13SC..SBendtrans81.65.8179.400000114.9G262G262-G266 WeakPolarHBondContact O-CA 3.37Å; G262-G266 PolarHBondContact O-N 2.87Å
267I94.6Very high94Very high2 Ų229 Ų291%0.0116%0.162CC..  trans-112.3119.4-176.5-57.1169.8000109.6D151 C154 V155 V161 G262 D265 R269D151-I267 HydrophobicContact CB-CD1 3.74Å; D151-I267 WeakPolarHBondContact OD1-CD1 3.35Å; C154-I267 HydrophobicContact CB-CD1 3.82Å; C154-I267 HydrophobicContact CB-CG1 3.83Å; C154-I267 HydrophobicContact CB-CG2 4.12Å; V155-I267 HydrophobicContact CG2-CD1 4.17Å; V155-I267 HydrophobicContact CG2-CG1 3.69Å; V161-I267 HydrophobicContact CG2-CG2 3.99Å; G262-I267 WeakPolarHBondContact CA-O 3.25Å; D265-I267 VanDerWaalsContact C-N 3.34Å; D265-I267 PolarHBondContact OD1-N 3.32Å; D265-I267 VanDerWaalsContact OD1-N 3.1Å; I267-R269 HydrophobicContact CG2-CG 4.15Å; I267-R269 PolarHBondContact O-NH1 3.39Å; I267-R269 VanDerWaalsContact O-NH1 3.08Å
268Q96.1Very high93.8Very high30 Ų3029.8 Ų29.814%0.1417%0.165CC..  trans-78.9139.6174.4-70.4-167.7-25.700111.6M68 G160 V161 D260 L292M68-Q268 HydrophobicContact CE-CG 4.05Å; M68-Q268 PolarHBondContact SD-NE2 3.12Å; G160-Q268 WeakPolarHBondContact CA-O 3.15Å; V161-Q268 PolarHBondContact N-O 2.72Å; D260-Q268 WeakPolarHBondContact O-CA 3.4Å; Q268-L292 HydrophobicContact CB-CD2 3.59Å
269R96.9Very high93.7Very high0 Ų031.2 Ų31.20%017%0.171CC..EExtended strand (participates in β ladder)trans-140.3148.2-178.8-42-178.4172.879.3-2.9113.2Y139 V161 H259 D260 D265 I267 L271Y139-R269 PolarHBondContact OH-NH2 3.03Å; V161-R269 HydrophobicContact CB-CG 4.12Å; V161-R269 CarbonylContact O-C 3.55Å; V161-R269 WeakPolarHBondContact O-CA 3.48Å; V161-R269 WeakPolarHBondContact O-CB 3.48Å; H259-R269 CarbonylContact C-O 3.52Å; H259-R269 WeakPolarHBondContact CA-O 3.37Å; H259-R269 PolarHBondContact CD2-O 3.38Å; D260-R269 HydrophobicContact CB-CB 3.86Å; D260-R269 HydrophobicContact CB-CG 4.29Å; D260-R269 PolarHBondContact N-O 3.04Å; D260-R269 PolarHBondContact O-N 3.43Å; D260-R269 IonicContact OD2-NH1 3.45Å; D260-R269 PolarHBondContact OD2-NH1 2.68Å; D265-R269 IonicContact OD1-CZ 3.83Å; D265-R269 IonicContact OD1-NH1 3.72Å; D265-R269 PolarHBondContact OD1-NH1 2.98Å; D265-R269 IonicContact OD1-NH2 3.83Å; D265-R269 IonicContact OD2-CZ 3Å; D265-R269 VanDerWaalsContact OD2-CZ 3.24Å; D265-R269 IonicContact OD2-NH1 2.69Å; D265-R269 PolarHBondContact OD2-NH1 2.64Å; D265-R269 IonicContact OD2-NH2 3.46Å; D265-R269 PolarHBondContact OD2-NH2 3.33Å; I267-R269 HydrophobicContact CG2-CG 4.15Å; I267-R269 PolarHBondContact O-NH1 3.39Å; I267-R269 VanDerWaalsContact O-NH1 3.08Å; R269-L271 HydrophobicContact CB-CD2 4.44Å
270V98.3Very high93.5Very high0 Ų031.2 Ų31.20%017%0.17CC..EExtended strand (participates in β ladder)trans-120.2122.2166.6-178.60000108.7V161 I162 G163 L201 V257 I258 F272 A288 L292V161-V270 PolarHBondContact O-N 3.41Å; I162-V270 WeakPolarHBondContact CA-O 3.45Å; G163-V270 PolarHBondContact N-O 2.87Å; L201-V270 HydrophobicContact CD1-CG1 4.12Å; L201-V270 HydrophobicContact CD1-CG2 3.69Å; L201-V270 HydrophobicContact CD2-CG2 3.97Å; V257-V270 HydrophobicContact CG1-CG1 3.83Å; I258-V270 WeakPolarHBondContact O-CA 3.44Å; V270-F272 HydrophobicContact CB-CE2 4.41Å; V270-F272 HydrophobicContact CG1-CD2 4.3Å; V270-F272 HydrophobicContact CG1-CE2 3.61Å; V270-F272 HydrophobicContact CG1-CZ 4.01Å; V270-A288 HydrophobicContact CB-CB 4.02Å; V270-A288 HydrophobicContact CG1-CB 4.03Å; V270-A288 HydrophobicContact CG2-CB 3.96Å; V270-L292 HydrophobicContact CB-CD1 4.36Å; V270-L292 HydrophobicContact CG2-CD1 3.96Å; V270-L292 HydrophobicContact CG2-CG 4.33Å
271L97.8Very high93.5Very high3 Ų331.1 Ų31.12%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-114.2129.9-175.1-55.1180000110.8I136 G163 F182 F223 V257 I258 R269I136-L271 HydrophobicContact CD1-CD2 3.93Å; I136-L271 HydrophobicContact CG1-CD2 3.93Å; G163-L271 CarbonylContact O-C 3.48Å; G163-L271 VanDerWaalsContact O-CA 3.3Å; G163-L271 WeakPolarHBondContact O-CA 3.36Å; F182-L271 HydrophobicContact CE1-CD1 4.37Å; F182-L271 HydrophobicContact CZ-CD1 3.75Å; F223-L271 HydrophobicContact CE1-CB 4.46Å; F223-L271 HydrophobicContact CZ-CB 4.06Å; V257-L271 VanDerWaalsContact CA-O 3.31Å; V257-L271 WeakPolarHBondContact CA-O 3.45Å; I258-L271 HydrophobicContact CD1-CB 4.39Å; I258-L271 HydrophobicContact CD1-CD1 4.16Å; I258-L271 HydrophobicContact CG1-CB 3.8Å; I258-L271 HydrophobicContact CG1-CD1 4.4Å; I258-L271 HydrophobicContact CG1-CG 4.42Å; I258-L271 PolarHBondContact N-O 3.01Å; I258-L271 PolarHBondContact O-N 3.38Å; R269-L271 HydrophobicContact CB-CD2 4.44Å
272F97.9Very high93.7Very high0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-108.9133.1-178.9-68.6-98.4000110.7I162 G163 F164 H165 V257 V270 N274 H281 I284 F285I162-F272 HydrophobicContact CG2-CD2 3.96Å; I162-F272 HydrophobicContact CG2-CE2 3.7Å; G163-F272 PolarHBondContact O-N 3.05Å; F164-F272 HydrophobicContact CD1-CB 3.44Å; F164-F272 VanDerWaalsContact CD1-CB 3.44Å; F164-F272 HydrophobicContact CD1-CD2 4.2Å; F164-F272 AromaticContact CD1-CG 3.9Å; F164-F272 HydrophobicContact CD1-CG 3.9Å; F164-F272 HydrophobicContact CE1-CB 3.69Å; F164-F272 HydrophobicContact CE1-CD1 4.13Å; F164-F272 AromaticContact CE1-CD2 3.79Å; F164-F272 HydrophobicContact CE1-CD2 3.79Å; F164-F272 HydrophobicContact CE1-CE2 4.48Å; F164-F272 AromaticContact CE1-CG 3.6Å; F164-F272 HydrophobicContact CE1-CG 3.6Å; F164-F272 HydrophobicContact CG-CB 4.22Å; F164-F272 AromaticContact CZ-CD2 3.99Å; F164-F272 HydrophobicContact CZ-CD2 3.99Å; F164-F272 HydrophobicContact CZ-CE2 4.37Å; F164-F272 HydrophobicContact CZ-CG 4.26Å; H165-F272 PolarHBondContact N-O 3.49Å; V257-F272 HydrophobicContact CB-CD1 4.49Å; V257-F272 HydrophobicContact CG1-CD1 4.13Å; V257-F272 HydrophobicContact CG1-CE1 4Å; V257-F272 HydrophobicContact CG1-CG 4.46Å; V257-F272 HydrophobicContact CG1-CZ 4.23Å; V257-F272 HydrophobicContact CG2-CD1 3.54Å; V257-F272 HydrophobicContact CG2-CE1 3.86Å; V257-F272 HydrophobicContact CG2-CG 4.3Å; V270-F272 HydrophobicContact CB-CE2 4.41Å; V270-F272 HydrophobicContact CG1-CD2 4.3Å; V270-F272 HydrophobicContact CG1-CE2 3.61Å; V270-F272 HydrophobicContact CG1-CZ 4.01Å; F272-N274 VanDerWaalsContact C-N 3.32Å; F272-H281 HydrophobicContact CD1-CB 4.07Å; F272-H281 AromaticContact CD1-CG 3.94Å; F272-H281 HydrophobicContact CE1-CB 4.29Å; F272-H281 WeakPolarHBondContact CE1-O 3.29Å; F272-I284 HydrophobicContact CE1-CB 4.08Å; F272-I284 HydrophobicContact CE1-CG2 3.94Å; F272-I284 HydrophobicContact CZ-CB 4.33Å; F272-I284 HydrophobicContact CZ-CG2 3.88Å; F272-F285 HydrophobicContact CE1-CB 4.38Å; F272-F285 HydrophobicContact CE2-CD2 4.35Å; F272-F285 HydrophobicContact CZ-CB 3.97Å; F272-F285 HydrophobicContact CZ-CD2 4.49Å
273G95Very high93.9Very high0 Ų031.2 Ų31.20%017%0.167CC..SBendtrans-89.512.1179.700000114.7H165 A221 T256H165-G273 CarbonylContact O-C 3.52Å; H165-G273 VanDerWaalsContact O-CA 3.3Å; H165-G273 WeakPolarHBondContact O-CA 3.28Å; A221-G273 PolarHBondContact N-O 3.41Å; A221-G273 VanDerWaalsContact O-CA 3.27Å; A221-G273 WeakPolarHBondContact O-CA 3.48Å; T256-G273 WeakPolarHBondContact O-CA 3.38Å; T256-G273 PolarHBondContact O-N 3.24Å
274N94.1Very high94.3Very high5 Ų525.6 Ų25.63%0.02714%0.137CC..SBendtrans-165.1179.4168.7-152.3-21.6000109F164 H165 K166 W220 F272 H281F164-N274 WeakPolarHBondContact CD1-O 3.33Å; H165-N274 PolarHBondContact O-N 3.22Å; K166-N274 WeakPolarHBondContact CG-OD1 3.48Å; W220-N274 HydrophobicContact CD2-CB 3.99Å; W220-N274 HydrophobicContact CE3-CB 3.51Å; W220-N274 HydrophobicContact CH2-CB 4.1Å; W220-N274 HydrophobicContact CZ3-CB 3.61Å; F272-N274 VanDerWaalsContact C-N 3.32Å; N274-H281 PolarHBondContact O-ND1 3.18Å
275N93.6Very high94.9Very high19 Ų1918.3 Ų18.310%0.10210%0.104CC..  trans-72.3-169.9178.270.69.9000113.8L91 N277 H281L91-N275 HydrophobicContact CD1-CB 4.01Å; L91-N275 HydrophobicContact CD2-CB 4.3Å; N275-N277 PolarHBondContact ND2-ND2 3.08Å; N275-N277 VanDerWaalsContact OD1-CB 3.3Å; N275-N277 WeakPolarHBondContact OD1-CB 3.43Å; N275-N277 PolarHBondContact OD1-N 3.04Å; N275-N277 VanDerWaalsContact OD1-N 3.09Å; N275-H281 PolarHBondContact O-ND1 3.42Å; N275-H281 VanDerWaalsContact O-ND1 3.16Å
276L94.9Very high95.3Very high8 Ų816.7 Ų16.74%0.04210%0.095CC..THydrogen-bonded Turntrans-92.57.7-178.8-62.1-178.3000114.3L91 D94 I95 F164 F278 H281 K282 F285L91-L276 HydrophobicContact CD1-CB 4.33Å; L91-L276 HydrophobicContact CD1-CD1 4.24Å; L91-L276 HydrophobicContact CD1-CG 3.83Å; D94-L276 HydrophobicContact CB-CB 4.3Å; D94-L276 HydrophobicContact CB-CD1 4.28Å; I95-L276 HydrophobicContact CG1-CD1 3.86Å; F164-L276 HydrophobicContact CE1-CD2 3.56Å; F164-L276 HydrophobicContact CE1-CG 3.95Å; F164-L276 HydrophobicContact CZ-CD1 4.34Å; F164-L276 HydrophobicContact CZ-CD2 3.73Å; F164-L276 HydrophobicContact CZ-CG 4.05Å; L276-F278 PolarHBondContact O-N 3.32Å; L276-H281 HydrophobicContact CD2-CB 4.45Å; L276-K282 HydrophobicContact CB-CB 4.49Å; L276-K282 HydrophobicContact CD2-CB 4.45Å; L276-F285 HydrophobicContact CD1-CD1 3.86Å; L276-F285 HydrophobicContact CD1-CE1 4.09Å; L276-F285 HydrophobicContact CD1-CG 4.31Å; L276-F285 HydrophobicContact CD2-CB 3.77Å; L276-F285 HydrophobicContact CD2-CD1 4.29Å; L276-F285 HydrophobicContact CD2-CG 4Å
277N90.3Very high95.6Very high123 Ų12314.3 Ų14.366%0.6587%0.07SC*.THydrogen-bonded Turntrans-67.6-27.1175.3-68.5-10.6000111.5N275N275-N277 PolarHBondContact ND2-ND2 3.08Å; N275-N277 VanDerWaalsContact OD1-CB 3.3Å; N275-N277 WeakPolarHBondContact OD1-CB 3.43Å; N275-N277 PolarHBondContact OD1-N 3.04Å; N275-N277 VanDerWaalsContact OD1-N 3.09Å
278F92.2Very high95.8Very high17 Ų1714.2 Ų14.28%0.0757%0.07CC..SBendtrans-81.2121.2171.4-177.5-138000110.2C193 L215 W220 L276 L280 H281 K282C193-F278 HydrophobicContact CB-CZ 4.24Å; L215-F278 HydrophobicContact CD1-CD1 4.38Å; L215-F278 HydrophobicContact CD1-CE1 3.93Å; L215-F278 HydrophobicContact CD1-CE2 4.15Å; L215-F278 HydrophobicContact CD1-CZ 3.81Å; L215-F278 HydrophobicContact CD2-CD2 3.94Å; L215-F278 HydrophobicContact CD2-CE2 3.42Å; L215-F278 VanDerWaalsContact CD2-CE2 3.42Å; L215-F278 HydrophobicContact CD2-CZ 3.82Å; L215-F278 HydrophobicContact CG-CE2 4.47Å; L215-F278 HydrophobicContact CG-CZ 4.5Å; W220-F278 HydrophobicContact CH2-CB 3.74Å; W220-F278 AromaticContact CH2-CD1 3.59Å; W220-F278 HydrophobicContact CH2-CD1 3.59Å; W220-F278 HydrophobicContact CH2-CE1 4.31Å; W220-F278 AromaticContact CH2-CG 3.8Å; W220-F278 HydrophobicContact CH2-CG 3.8Å; W220-F278 HydrophobicContact CZ2-CB 4.32Å; W220-F278 HydrophobicContact CZ2-CG 4.49Å; W220-F278 HydrophobicContact CZ3-CD1 4.24Å; L276-F278 PolarHBondContact O-N 3.32Å; F278-L280 VanDerWaalsContact C-N 3.31Å; F278-L280 HydrophobicContact CD1-CB 4.06Å; F278-L280 HydrophobicContact CE1-CB 3.58Å; F278-L280 HydrophobicContact CE1-CD1 4.13Å; F278-L280 HydrophobicContact CE1-CG 4.34Å; F278-L280 HydrophobicContact CE2-CB 4.4Å; F278-L280 HydrophobicContact CZ-CB 3.78Å; F278-L280 HydrophobicContact CZ-CD1 3.73Å; F278-L280 HydrophobicContact CZ-CG 4.07Å; F278-L280 PolarHBondContact O-N 3.26Å; F278-H281 HydrophobicContact CB-CB 4.4Å; F278-H281 HydrophobicContact CD1-CB 4.42Å; F278-H281 AromaticContact CD1-CD2 3.58Å; F278-H281 AromaticContact CD1-CG 3.95Å; F278-H281 WeakPolarHBondContact O-CB 3.5Å; F278-H281 PolarHBondContact O-N 3.46Å; F278-K282 PolarHBondContact O-N 3.18Å; F278-K282 VanDerWaalsContact O-N 3.14Å
279W93.1Very high95.9Very high30 Ų3012.9 Ų12.911%0.1146%0.063CC..Hα-helixtrans-60.9-35.3-171.767.1-91.7000113.3K282 L283 G502 F507 F540 W544W279-K282 WeakPolarHBondContact O-CB 3.26Å; W279-K282 PolarHBondContact O-N 2.92Å; W279-L283 HydrophobicContact CE3-CD1 3.77Å; W279-L283 HydrophobicContact CE3-CG 4.49Å; W279-L283 HydrophobicContact CZ3-CD1 3.64Å; W279-L283 PolarHBondContact O-N 2.84Å; W279-G502 WeakPolarHBondContact CB-O 3.4Å; W279-F507 HydrophobicContact CB-CE2 3.89Å; W279-F507 HydrophobicContact CB-CZ 4.34Å; W279-F507 WeakPolarHBondContact O-CZ 3.35Å; W279-F540 HydrophobicContact CD2-CZ 4.4Å; W279-F540 HydrophobicContact CE3-CE1 4.41Å; W279-F540 HydrophobicContact CE3-CZ 4.28Å; W279-F540 AromaticContact CH2-CZ 3.97Å; W279-F540 HydrophobicContact CH2-CZ 3.97Å; W279-F540 HydrophobicContact CZ2-CZ 4.09Å; W279-F540 HydrophobicContact CZ3-CE1 4.28Å; W279-F540 HydrophobicContact CZ3-CZ 4.05Å; W279-W544 HydrophobicContact CH2-CB 4.43Å; W279-W544 AromaticContact CH2-CD2 3.43Å; W279-W544 HydrophobicContact CH2-CD2 3.43Å; W279-W544 VanDerWaalsContact CH2-CD2 3.43Å; W279-W544 AromaticContact CH2-CE2 3.59Å; W279-W544 AromaticContact CH2-CE3 3.65Å; W279-W544 HydrophobicContact CH2-CE3 3.65Å; W279-W544 AromaticContact CH2-CG 3.79Å; W279-W544 HydrophobicContact CH2-CG 3.79Å; W279-W544 HydrophobicContact CH2-CH2 4.12Å; W279-W544 AromaticContact CH2-CZ2 3.94Å; W279-W544 HydrophobicContact CH2-CZ2 3.94Å; W279-W544 AromaticContact CH2-CZ3 3.99Å; W279-W544 HydrophobicContact CH2-CZ3 3.99Å; W279-W544 HydrophobicContact CZ2-CD2 4.44Å; W279-W544 HydrophobicContact CZ2-CH2 4.49Å; W279-W544 HydrophobicContact CZ2-CZ2 4.23Å; W279-W544 HydrophobicContact CZ3-CB 4.19Å; W279-W544 HydrophobicContact CZ3-CD2 4.06Å; W279-W544 HydrophobicContact CZ3-CE3 4.27Å; W279-W544 HydrophobicContact CZ3-CG 4.02Å
280L93.6Very high95.8Very high0 Ų013.2 Ų13.20%07%0.066CC..Hα-helixtrans-66.6-38.8174.8-81.3176.3000112.5C193 I195 D211 I234 F278 K282 L283 I284 W544C193-L280 HydrophobicContact CB-CD1 4.39Å; I195-L280 HydrophobicContact CD1-CD2 3.56Å; I195-L280 HydrophobicContact CG1-CD2 4.22Å; D211-L280 HydrophobicContact CB-CD1 4.2Å; I234-L280 HydrophobicContact CD1-CB 4.03Å; F278-L280 VanDerWaalsContact C-N 3.31Å; F278-L280 HydrophobicContact CD1-CB 4.06Å; F278-L280 HydrophobicContact CE1-CB 3.58Å; F278-L280 HydrophobicContact CE1-CD1 4.13Å; F278-L280 HydrophobicContact CE1-CG 4.34Å; F278-L280 HydrophobicContact CE2-CB 4.4Å; F278-L280 HydrophobicContact CZ-CB 3.78Å; F278-L280 HydrophobicContact CZ-CD1 3.73Å; F278-L280 HydrophobicContact CZ-CG 4.07Å; F278-L280 PolarHBondContact O-N 3.26Å; L280-K282 PolarHBondContact O-N 3.39Å; L280-L283 HydrophobicContact CD2-CD1 4.41Å; L280-L283 PolarHBondContact O-N 3.4Å; L280-I284 WeakPolarHBondContact O-CG1 3.45Å; L280-I284 PolarHBondContact O-N 3.38Å; L280-W544 HydrophobicContact CD2-CE3 4.28Å; L280-W544 HydrophobicContact CD2-CZ3 4.33Å
281H95.5Very high95.7Very high0 Ų015 Ų150%07%0.073CC..Hα-helixtrans-59.5-41.3172.4-80.4-162.1000110.7W220 F272 N274 N275 L276 F278 I284 F285W220-H281 AromaticContact CZ3-CE1 3.37Å; W220-H281 WeakPolarHBondContact CZ3-CE1 3.46Å; W220-H281 AromaticContact CZ3-NE2 3.57Å; F272-H281 HydrophobicContact CD1-CB 4.07Å; F272-H281 AromaticContact CD1-CG 3.94Å; F272-H281 HydrophobicContact CE1-CB 4.29Å; F272-H281 WeakPolarHBondContact CE1-O 3.29Å; N274-H281 PolarHBondContact O-ND1 3.18Å; N275-H281 PolarHBondContact O-ND1 3.42Å; N275-H281 VanDerWaalsContact O-ND1 3.16Å; L276-H281 HydrophobicContact CD2-CB 4.45Å; F278-H281 HydrophobicContact CB-CB 4.4Å; F278-H281 HydrophobicContact CD1-CB 4.42Å; F278-H281 AromaticContact CD1-CD2 3.58Å; F278-H281 AromaticContact CD1-CG 3.95Å; F278-H281 WeakPolarHBondContact O-CB 3.5Å; F278-H281 PolarHBondContact O-N 3.46Å; H281-I284 PolarHBondContact O-N 2.87Å; H281-F285 VanDerWaalsContact O-CB 3.26Å; H281-F285 WeakPolarHBondContact O-CB 3.26Å; H281-F285 PolarHBondContact O-N 3.43Å
282K96.6Very high95.7Very high45 Ų4515 Ų1520%0.1967%0.073CC..Hα-helixtrans-66.1-37.2177.6-169.3172.8177179.70113.2V98 L276 F278 W279 L280 F285 I286 F507V98-K282 HydrophobicContact CG2-CD 4.4Å; V98-K282 HydrophobicContact CG2-CG 4.19Å; L276-K282 HydrophobicContact CB-CB 4.49Å; L276-K282 HydrophobicContact CD2-CB 4.45Å; F278-K282 PolarHBondContact O-N 3.18Å; F278-K282 VanDerWaalsContact O-N 3.14Å; W279-K282 WeakPolarHBondContact O-CB 3.26Å; W279-K282 PolarHBondContact O-N 2.92Å; L280-K282 PolarHBondContact O-N 3.39Å; K282-F285 PolarHBondContact O-N 3.44Å; K282-I286 WeakPolarHBondContact O-CG1 3.48Å; K282-I286 PolarHBondContact O-N 2.93Å; K282-F507 HydrophobicContact CB-CE1 4.07Å; K282-F507 HydrophobicContact CB-CE2 4.22Å; K282-F507 HydrophobicContact CB-CZ 3.59Å; K282-F507 HydrophobicContact CD-CD1 4.11Å; K282-F507 HydrophobicContact CD-CD2 3.98Å; K282-F507 HydrophobicContact CD-CE1 3.85Å; K282-F507 HydrophobicContact CD-CE2 3.7Å; K282-F507 HydrophobicContact CD-CG 4.18Å; K282-F507 HydrophobicContact CD-CZ 3.66Å; K282-F507 HydrophobicContact CG-CD1 4.27Å; K282-F507 HydrophobicContact CG-CE1 3.64Å; K282-F507 HydrophobicContact CG-CE2 4.19Å; K282-F507 HydrophobicContact CG-CZ 3.61Å
283L95.9Very high95.5Very high0 Ų015.1 Ų15.10%07%0.074CC..Hα-helixtrans-65.3-48.1171.2-77.2178.7000112.4V204 W279 L280 F285 I286 D287 F506 F507 V510V204-L283 HydrophobicContact CG1-CD2 4.49Å; W279-L283 HydrophobicContact CE3-CD1 3.77Å; W279-L283 HydrophobicContact CE3-CG 4.49Å; W279-L283 HydrophobicContact CZ3-CD1 3.64Å; W279-L283 PolarHBondContact O-N 2.84Å; L280-L283 HydrophobicContact CD2-CD1 4.41Å; L280-L283 PolarHBondContact O-N 3.4Å; L283-F285 PolarHBondContact O-N 2.86Å; L283-I286 WeakPolarHBondContact O-CB 3.33Å; L283-I286 PolarHBondContact O-N 3.18Å; L283-I286 VanDerWaalsContact O-N 3.13Å; L283-D287 PolarHBondContact O-N 2.94Å; L283-D287 VanDerWaalsContact O-N 3.11Å; L283-F506 HydrophobicContact CD1-CE1 3.98Å; L283-F506 HydrophobicContact CD1-CZ 3.95Å; L283-F506 HydrophobicContact CD2-CE1 3.94Å; L283-F506 HydrophobicContact CD2-CZ 4.04Å; L283-F506 HydrophobicContact CG-CE1 4.11Å; L283-F506 HydrophobicContact CG-CZ 4.41Å; L283-F507 HydrophobicContact CD2-CE1 3.9Å; L283-F507 HydrophobicContact CD2-CZ 4.29Å; L283-F507 HydrophobicContact CG-CE1 4.16Å; L283-F507 HydrophobicContact CG-CZ 4.07Å; L283-V510 HydrophobicContact CD2-CG1 4Å; L283-V510 HydrophobicContact CD2-CG2 4.26Å
284I97.3Very high95.3Very high0 Ų016.7 Ų16.70%09%0.091CC..Hα-helixtrans-64.8-30177.8-63.9-56.3000111.6L202 T205 V233 I234 V257 F272 L280 H281 D287 A288L202-I284 HydrophobicContact CD2-CD1 3.53Å; T205-I284 HydrophobicContact CG2-CD1 4Å; V233-I284 HydrophobicContact CG1-CD1 4.01Å; V233-I284 HydrophobicContact CG1-CG1 4.31Å; V233-I284 HydrophobicContact CG1-CG2 3.85Å; I234-I284 HydrophobicContact CD1-CB 4.5Å; I234-I284 HydrophobicContact CD1-CG1 3.69Å; I234-I284 HydrophobicContact CG1-CG1 4.05Å; V257-I284 HydrophobicContact CG1-CG2 3.94Å; F272-I284 HydrophobicContact CE1-CB 4.08Å; F272-I284 HydrophobicContact CE1-CG2 3.94Å; F272-I284 HydrophobicContact CZ-CB 4.33Å; F272-I284 HydrophobicContact CZ-CG2 3.88Å; L280-I284 WeakPolarHBondContact O-CG1 3.45Å; L280-I284 PolarHBondContact O-N 3.38Å; H281-I284 PolarHBondContact O-N 2.87Å; I284-D287 PolarHBondContact O-N 2.86Å; I284-A288 VanDerWaalsContact O-CB 3.26Å; I284-A288 WeakPolarHBondContact O-CB 3.39Å; I284-A288 PolarHBondContact O-N 2.99Å
285F98.4Very high95.1Very high0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-63.4-42.4173.2178.6-115.1000112.3I95 V98 V132 I162 F164 F272 L276 H281 K282 L283 D287 A288 I289I95-F285 HydrophobicContact CB-CZ 4.44Å; I95-F285 HydrophobicContact CG1-CZ 4.16Å; I95-F285 HydrophobicContact CG2-CE1 4.46Å; I95-F285 HydrophobicContact CG2-CZ 3.93Å; V98-F285 HydrophobicContact CB-CD1 4.36Å; V98-F285 HydrophobicContact CB-CE1 4.07Å; V98-F285 HydrophobicContact CG1-CD1 4Å; V98-F285 HydrophobicContact CG1-CE1 3.93Å; V98-F285 HydrophobicContact CG2-CD1 4.43Å; V132-F285 HydrophobicContact CG1-CE2 4.2Å; V132-F285 HydrophobicContact CG1-CZ 4.49Å; V132-F285 HydrophobicContact CG2-CE2 4.46Å; I162-F285 HydrophobicContact CD1-CD2 4.05Å; I162-F285 HydrophobicContact CD1-CE2 3.8Å; I162-F285 HydrophobicContact CG2-CD2 4Å; I162-F285 HydrophobicContact CG2-CE2 3.92Å; F164-F285 HydrophobicContact CE2-CD2 4.23Å; F164-F285 HydrophobicContact CE2-CE2 4.05Å; F164-F285 AromaticContact CZ-CD2 3.7Å; F164-F285 HydrophobicContact CZ-CD2 3.7Å; F164-F285 AromaticContact CZ-CE2 3.96Å; F164-F285 HydrophobicContact CZ-CE2 3.96Å; F164-F285 HydrophobicContact CZ-CG 4.33Å; F272-F285 HydrophobicContact CE1-CB 4.38Å; F272-F285 HydrophobicContact CE2-CD2 4.35Å; F272-F285 HydrophobicContact CZ-CB 3.97Å; F272-F285 HydrophobicContact CZ-CD2 4.49Å; L276-F285 HydrophobicContact CD1-CD1 3.86Å; L276-F285 HydrophobicContact CD1-CE1 4.09Å; L276-F285 HydrophobicContact CD1-CG 4.31Å; L276-F285 HydrophobicContact CD2-CB 3.77Å; L276-F285 HydrophobicContact CD2-CD1 4.29Å; L276-F285 HydrophobicContact CD2-CG 4Å; H281-F285 VanDerWaalsContact O-CB 3.26Å; H281-F285 WeakPolarHBondContact O-CB 3.26Å; H281-F285 PolarHBondContact O-N 3.43Å; K282-F285 PolarHBondContact O-N 3.44Å; L283-F285 PolarHBondContact O-N 2.86Å; F285-D287 VanDerWaalsContact C-N 3.33Å; F285-D287 PolarHBondContact O-N 3.43Å; F285-A288 PolarHBondContact O-N 3.47Å; F285-I289 HydrophobicContact CD1-CD1 3.96Å; F285-I289 HydrophobicContact CE1-CD1 3.5Å; F285-I289 HydrophobicContact CE1-CG1 4.46Å; F285-I289 HydrophobicContact CE2-CD1 4.13Å; F285-I289 HydrophobicContact CE2-CG1 4.23Å; F285-I289 HydrophobicContact CG-CD1 4.44Å; F285-I289 HydrophobicContact CZ-CD1 3.59Å; F285-I289 HydrophobicContact CZ-CG1 4.14Å; F285-I289 WeakPolarHBondContact O-CG1 3.35Å; F285-I289 PolarHBondContact O-N 2.97Å
286I97.8Very high94.8Very high18 Ų1824.3 Ų24.39%0.09212%0.123CC..Hα-helixtrans-61.5-44.4174.5-64.1161.7000110.5V98 V204 K282 L283 I289 S290 F507 V510 L511V98-I286 HydrophobicContact CG1-CG1 4.01Å; V204-I286 HydrophobicContact CG2-CG2 4.31Å; K282-I286 WeakPolarHBondContact O-CG1 3.48Å; K282-I286 PolarHBondContact O-N 2.93Å; L283-I286 WeakPolarHBondContact O-CB 3.33Å; L283-I286 PolarHBondContact O-N 3.18Å; L283-I286 VanDerWaalsContact O-N 3.13Å; I286-I289 PolarHBondContact O-N 3.24Å; I286-S290 PolarHBondContact O-N 3.3Å; I286-S290 VanDerWaalsContact O-N 3.14Å; I286-F507 HydrophobicContact CD1-CD1 4.38Å; I286-F507 HydrophobicContact CD1-CE1 4.05Å; I286-V510 HydrophobicContact CD1-CG1 3.8Å; I286-L511 HydrophobicContact CD1-CD2 3.59Å; I286-L511 HydrophobicContact CD1-CG 4.47Å; I286-L511 HydrophobicContact CG1-CD2 4.11Å
287D97.9Very high94.8Very high0 Ų024.2 Ų24.20%012%0.122CC..Hα-helixtrans-64.9-39.8177-83.6-11000112.5L201 H203 V204 T205 L283 I284 F285 S290 F291L201-D287 WeakPolarHBondContact O-CB 3.5Å; H203-D287 WeakPolarHBondContact CB-OD1 3.32Å; H203-D287 VanDerWaalsContact N-CG 3.33Å; H203-D287 PolarHBondContact N-OD1 3.4Å; H203-D287 PolarHBondContact N-OD2 3.06Å; H203-D287 VanDerWaalsContact N-OD2 3.16Å; V204-D287 WeakPolarHBondContact CB-OD1 3.21Å; V204-D287 PolarHBondContact N-OD1 2.98Å; T205-D287 WeakPolarHBondContact CB-OD2 3.41Å; T205-D287 PolarHBondContact N-OD2 2.76Å; T205-D287 PolarHBondContact OG1-OD2 3.19Å; L283-D287 PolarHBondContact O-N 2.94Å; L283-D287 VanDerWaalsContact O-N 3.11Å; I284-D287 PolarHBondContact O-N 2.86Å; F285-D287 VanDerWaalsContact C-N 3.33Å; F285-D287 PolarHBondContact O-N 3.43Å; D287-S290 WeakPolarHBondContact O-CB 3.2Å; D287-S290 PolarHBondContact O-N 3.47Å; D287-F291 WeakPolarHBondContact O-CB 3.28Å; D287-F291 PolarHBondContact O-N 2.87Å
288A98.2Very high94.9Very high0 Ų024.5 Ų24.50%011%0.114CC..Hα-helixtrans-64.9-41.8176.500000112.3I162 V270 I284 F285 S290 F291 L292I162-A288 HydrophobicContact CD1-CB 3.82Å; I162-A288 HydrophobicContact CG1-CB 4.34Å; V270-A288 HydrophobicContact CB-CB 4.02Å; V270-A288 HydrophobicContact CG1-CB 4.03Å; V270-A288 HydrophobicContact CG2-CB 3.96Å; I284-A288 VanDerWaalsContact O-CB 3.26Å; I284-A288 WeakPolarHBondContact O-CB 3.39Å; I284-A288 PolarHBondContact O-N 2.99Å; F285-A288 PolarHBondContact O-N 3.47Å; A288-S290 VanDerWaalsContact C-N 3.31Å; A288-S290 PolarHBondContact O-N 2.76Å; A288-F291 PolarHBondContact O-N 3.22Å; A288-L292 WeakPolarHBondContact O-CB 3.41Å; A288-L292 WeakPolarHBondContact O-CG 2.82Å; A288-L292 PolarHBondContact O-N 2.95Å
289I98Very high95Very high2 Ų225.2 Ų25.21%0.0112%0.119CC..Hα-helixtrans-58-47.2173-69.7162.4000110L99 F104 L130 I162 F285 I286 S293 L297L99-I289 HydrophobicContact CD2-CD1 3.84Å; F104-I289 HydrophobicContact CD2-CG2 4.09Å; F104-I289 HydrophobicContact CE2-CG2 3.9Å; L130-I289 HydrophobicContact CD2-CB 4.13Å; L130-I289 HydrophobicContact CD2-CG1 3.85Å; L130-I289 HydrophobicContact CD2-CG2 4.02Å; I162-I289 HydrophobicContact CD1-CG1 3.89Å; F285-I289 HydrophobicContact CD1-CD1 3.96Å; F285-I289 HydrophobicContact CE1-CD1 3.5Å; F285-I289 HydrophobicContact CE1-CG1 4.46Å; F285-I289 HydrophobicContact CE2-CD1 4.13Å; F285-I289 HydrophobicContact CE2-CG1 4.23Å; F285-I289 HydrophobicContact CG-CD1 4.44Å; F285-I289 HydrophobicContact CZ-CD1 3.59Å; F285-I289 HydrophobicContact CZ-CG1 4.14Å; F285-I289 WeakPolarHBondContact O-CG1 3.35Å; F285-I289 PolarHBondContact O-N 2.97Å; I286-I289 PolarHBondContact O-N 3.24Å; I289-S293 WeakPolarHBondContact O-CB 3.41Å; I289-S293 PolarHBondContact O-N 2.88Å; I289-S293 VanDerWaalsContact O-N 3.17Å; I289-S293 PolarHBondContact O-OG 3.03Å; I289-L297 HydrophobicContact CG2-CB 3.72Å; I289-L297 HydrophobicContact CG2-CD1 4.25Å
290S96.3Very high95Very high7 Ų726.9 Ų26.95%0.04914%0.135CC..Hα-helixtrans-60.5-50.5178.7-170.30000111.5I286 D287 A288 S293 K295 L297 R298I286-S290 PolarHBondContact O-N 3.3Å; I286-S290 VanDerWaalsContact O-N 3.14Å; D287-S290 WeakPolarHBondContact O-CB 3.2Å; D287-S290 PolarHBondContact O-N 3.47Å; A288-S290 VanDerWaalsContact C-N 3.31Å; A288-S290 PolarHBondContact O-N 2.76Å; S290-S293 PolarHBondContact O-OG 3.09Å; S290-S293 VanDerWaalsContact O-OG 3.13Å; S290-K295 WeakPolarHBondContact O-CA 3.36Å; S290-K295 PolarHBondContact O-N 2.9Å; S290-L297 VanDerWaalsContact CA-O 3.31Å; S290-L297 WeakPolarHBondContact CA-O 3.4Å; S290-R298 VanDerWaalsContact OG-CB 3.25Å; S290-R298 WeakPolarHBondContact OG-CB 3.08Å
291F96.2Very high95.2Very high37 Ų3728.8 Ų28.816%0.16214%0.144CC..Hα-helixtrans-64.9-54.3-175.7-174.7-91000112.3P200 L201 H259 D287 A288 S293 G294P200-F291 HydrophobicContact CB-CE2 3.9Å; P200-F291 HydrophobicContact CB-CZ 4.33Å; P200-F291 HydrophobicContact CG-CE2 4.28Å; P200-F291 HydrophobicContact CG-CZ 4.27Å; P200-F291 VanDerWaalsContact O-CD2 3.23Å; P200-F291 WeakPolarHBondContact O-CD2 3.49Å; P200-F291 WeakPolarHBondContact O-CE2 3.34Å; L201-F291 HydrophobicContact CD2-CB 3.75Å; L201-F291 HydrophobicContact CD2-CD1 3.34Å; L201-F291 HydrophobicContact CD2-CD2 4.05Å; L201-F291 HydrophobicContact CD2-CE1 3.89Å; L201-F291 HydrophobicContact CD2-CG 3.43Å; L201-F291 VanDerWaalsContact CD2-CG 3.43Å; L201-F291 HydrophobicContact CD2-CZ 4.45Å; H259-F291 AromaticContact CE1-CE1 3.54Å; H259-F291 AromaticContact CE1-CZ 3.85Å; H259-F291 AromaticContact NE2-CE1 3.65Å; D287-F291 WeakPolarHBondContact O-CB 3.28Å; D287-F291 PolarHBondContact O-N 2.87Å; A288-F291 PolarHBondContact O-N 3.22Å; F291-S293 VanDerWaalsContact C-N 3.28Å; F291-S293 PolarHBondContact O-N 2.89Å; F291-G294 PolarHBondContact O-N 3.27Å
292L96.3Very high95.3Very high3 Ų331.3 Ų31.32%0.01616%0.158CC..Hα-helixtrans-70.9-21.4-174.2-68.1177.9000113.4L130 I162 Q268 V270 A288 G294L130-L292 HydrophobicContact CD1-CB 3.57Å; L130-L292 HydrophobicContact CD1-CD1 4.11Å; I162-L292 HydrophobicContact CD1-CD1 4.36Å; I162-L292 HydrophobicContact CG1-CD1 3.6Å; Q268-L292 HydrophobicContact CB-CD2 3.59Å; V270-L292 HydrophobicContact CB-CD1 4.36Å; V270-L292 HydrophobicContact CG2-CD1 3.96Å; V270-L292 HydrophobicContact CG2-CG 4.33Å; A288-L292 WeakPolarHBondContact O-CB 3.41Å; A288-L292 WeakPolarHBondContact O-CG 2.82Å; A288-L292 PolarHBondContact O-N 2.95Å; L292-G294 PolarHBondContact O-N 2.84Å
293S93.9Very high95.4Very high3 Ų329.3 Ų29.32%0.02115%0.149CC..THydrogen-bonded Turntrans-82.35.117168.10000113.5I289 S290 F291 K296 L297I289-S293 WeakPolarHBondContact O-CB 3.41Å; I289-S293 PolarHBondContact O-N 2.88Å; I289-S293 VanDerWaalsContact O-N 3.17Å; I289-S293 PolarHBondContact O-OG 3.03Å; S290-S293 PolarHBondContact O-OG 3.09Å; S290-S293 VanDerWaalsContact O-OG 3.13Å; F291-S293 VanDerWaalsContact C-N 3.28Å; F291-S293 PolarHBondContact O-N 2.89Å; S293-K296 WeakPolarHBondContact O-CB 3.42Å; S293-K296 WeakPolarHBondContact O-CD 3.43Å; S293-K296 WeakPolarHBondContact O-CG 3.26Å; S293-K296 PolarHBondContact O-N 3.02Å; S293-L297 WeakPolarHBondContact OG-CB 3.27Å; S293-L297 PolarHBondContact OG-N 3.33Å
294G90.3Very high95.5Very high33 Ų3330.4 Ų30.434%0.3415%0.154SC..THydrogen-bonded Turntrans68.534.8-175.300000113F291 L292 K296F291-G294 PolarHBondContact O-N 3.27Å; L292-G294 PolarHBondContact O-N 2.84Å; G294-K296 PolarHBondContact O-N 3.34Å
295K90.8Very high95.4Very high125 Ų12530.7 Ų30.754%0.54316%0.155SC..THydrogen-bonded Turntrans64.419.8-177.6-57177.2-179.3177.30114.2S290 R298S290-K295 WeakPolarHBondContact O-CA 3.36Å; S290-K295 PolarHBondContact O-N 2.9Å; K295-R298 WeakPolarHBondContact O-CD 3.18Å; K295-R298 VanDerWaalsContact O-CG 3.32Å; K295-R298 WeakPolarHBondContact O-CG 3.45Å; K295-R298 PolarHBondContact O-NE 3.18Å; K295-R298 VanDerWaalsContact O-NE 3.09Å
296K88.4Confident95.4Very high59 Ų5930.8 Ų30.826%0.25716%0.156SC..SBendtrans-85.5-41.1178.4-61.4176.2-168.5163.50112.2L78 S293 G294 R298L78-K296 HydrophobicContact CD2-CB 3.8Å; L78-K296 HydrophobicContact CD2-CD 3.83Å; L78-K296 HydrophobicContact CD2-CG 4.42Å; S293-K296 WeakPolarHBondContact O-CB 3.42Å; S293-K296 WeakPolarHBondContact O-CD 3.43Å; S293-K296 WeakPolarHBondContact O-CG 3.26Å; S293-K296 PolarHBondContact O-N 3.02Å; G294-K296 PolarHBondContact O-N 3.34Å; K296-R298 PolarHBondContact O-N 2.86Å
297L93.6Very high95.4Very high7 Ų729.9 Ų29.94%0.03715%0.151CC..SBendtrans-91.980.1172.6-62.2174000108.5L78 V80 F104 I289 S290 S293L78-L297 HydrophobicContact CB-CD2 4.29Å; V80-L297 HydrophobicContact CG2-CD1 3.48Å; V80-L297 VanDerWaalsContact CG2-CD1 3.48Å; F104-L297 HydrophobicContact CB-CD2 4.29Å; F104-L297 HydrophobicContact CD1-CD2 4.02Å; F104-L297 HydrophobicContact CD2-CB 4.14Å; F104-L297 HydrophobicContact CE1-CB 4.4Å; F104-L297 HydrophobicContact CE2-CB 4Å; F104-L297 HydrophobicContact CG-CB 4.42Å; F104-L297 HydrophobicContact CG-CD2 4.04Å; F104-L297 VanDerWaalsContact CZ-C 3.43Å; F104-L297 HydrophobicContact CZ-CB 4.15Å; I289-L297 HydrophobicContact CG2-CB 3.72Å; I289-L297 HydrophobicContact CG2-CD1 4.25Å; S290-L297 VanDerWaalsContact CA-O 3.31Å; S290-L297 WeakPolarHBondContact CA-O 3.4Å; S293-L297 WeakPolarHBondContact OG-CB 3.27Å; S293-L297 PolarHBondContact OG-N 3.33Å
298R93.5Very high95.5Very high129 Ų12929.9 Ų29.949%0.48715%0.151SC..  trans-143.7149.4178.774.3177.8169.41661.1112.2S290 K295 K296S290-R298 VanDerWaalsContact OG-CB 3.25Å; S290-R298 WeakPolarHBondContact OG-CB 3.08Å; K295-R298 WeakPolarHBondContact O-CD 3.18Å; K295-R298 VanDerWaalsContact O-CG 3.32Å; K295-R298 WeakPolarHBondContact O-CG 3.45Å; K295-R298 PolarHBondContact O-NE 3.18Å; K295-R298 VanDerWaalsContact O-NE 3.09Å; K296-R298 PolarHBondContact O-N 2.86Å
299L93.1Very high95.5Very high32 Ų3229.9 Ų29.917%0.16815%0.151CC..  trans-91.3156.5167.2-58.4176.7000109.3F104 L511 P513F104-L299 HydrophobicContact CE1-CD2 4.43Å; F104-L299 HydrophobicContact CZ-CD2 4.48Å; F104-L299 HydrophobicContact CZ-CG 4.43Å; L299-L511 VanDerWaalsContact CD1-O 3.29Å; L299-L511 WeakPolarHBondContact CD1-O 3.44Å; L299-P513 HydrophobicContact CD2-CG 4.38Å
300S94.5Very high95.4Very high64 Ų6430 Ų3045%0.44815%0.152SC..  trans-58.1164.4169-174.70000110.3D302 R303S300-D302 PolarHBondContact OG-N 3.25Å; S300-D302 VanDerWaalsContact OG-N 3.17Å; S300-D302 PolarHBondContact OG-OD2 3.11Å; S300-R303 PolarHBondContact O-NH1 3.44Å; S300-R303 PolarHBondContact O-NH2 2.92Å
301L97.1Very high95.5Very high40 Ų4031 Ų3121%0.20916%0.156CC..SBendtrans-83.6-16.1166.2-65.8179.5000112.3V204 N546 L547 K548V204-L301 HydrophobicContact CG2-CD2 4.15Å; L301-N546 HydrophobicContact CD1-CB 4.32Å; L301-L547 HydrophobicContact CD2-CD2 4.23Å; L301-L547 WeakPolarHBondContact O-CA 3.42Å; L301-L547 WeakPolarHBondContact O-CD2 3.4Å; L301-K548 PolarHBondContact O-N 3.11Å
302D97.5Very high95.5Very high54 Ų5429.2 Ų29.229%0.28915%0.149SC..EExtended strand (participates in β ladder)trans-73.4132.4177.6-58.1-41.3000110.6S300 Y304S300-D302 PolarHBondContact OG-N 3.25Å; S300-D302 VanDerWaalsContact OG-N 3.17Å; S300-D302 PolarHBondContact OG-OD2 3.11Å; D302-Y304 HydrophobicContact CB-CE2 4.47Å
303R97.7Very high95.6Very high2 Ų229 Ų291%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-125.8126.6174-66.5-65.4175.7-77.2-2.9109.9S300 L509 V510 N512 L547 K548 L549 Q550S300-R303 PolarHBondContact O-NH1 3.44Å; S300-R303 PolarHBondContact O-NH2 2.92Å; R303-L509 HydrophobicContact CB-CD1 4.49Å; R303-L509 WeakPolarHBondContact CD-O 3.45Å; R303-L509 PolarHBondContact NE-O 2.95Å; R303-V510 PolarHBondContact NE-O 3.42Å; R303-V510 VanDerWaalsContact NE-O 3.15Å; R303-V510 PolarHBondContact NH2-O 2.95Å; R303-N512 WeakPolarHBondContact CD-O 3.42Å; R303-L547 HydrophobicContact CG-CB 4.3Å; R303-L547 HydrophobicContact CG-CD1 4.09Å; R303-L547 HydrophobicContact CG-CD2 4.14Å; R303-L547 HydrophobicContact CG-CG 4.41Å; R303-K548 PolarHBondContact N-O 3.4Å; R303-L549 HydrophobicContact CB-CD2 3.64Å; R303-L549 HydrophobicContact CG-CD2 4.18Å; R303-Q550 WeakPolarHBondContact O-CG 3.41Å; R303-Q550 PolarHBondContact O-N 2.85Å
304Y98.2Very high95.6Very high23 Ų2330.3 Ų30.39%0.0916%0.155CC..EExtended strand (participates in β ladder)trans-99.3124.7174.7-57-90.7000109.6D302 P513 I514 S515 Q550 L552 L557 K560D302-Y304 HydrophobicContact CB-CE2 4.47Å; Y304-P513 PolarHBondContact N-O 2.78Å; Y304-I514 HydrophobicContact CD2-CG1 4Å; Y304-I514 HydrophobicContact CG-CG1 4.38Å; Y304-I514 CarbonylContact O-C 3.38Å; Y304-I514 WeakPolarHBondContact O-CA 3.16Å; Y304-S515 PolarHBondContact O-N 3.32Å; Y304-Q550 CarbonylContact C-O 3.56Å; Y304-Q550 VanDerWaalsContact CA-O 3.23Å; Y304-Q550 WeakPolarHBondContact CA-O 3.34Å; Y304-Q550 HydrophobicContact CD1-CG 3.57Å; Y304-Q550 HydrophobicContact CE1-CG 3.68Å; Y304-Q550 HydrophobicContact CG-CG 4.25Å; Y304-Q550 PolarHBondContact OH-NE2 3.49Å; Y304-Q550 VanDerWaalsContact OH-NE2 3.07Å; Y304-L552 HydrophobicContact CD1-CD1 3.47Å; Y304-L552 VanDerWaalsContact CD1-CD1 3.47Å; Y304-L552 HydrophobicContact CD1-CG 3.66Å; Y304-L552 HydrophobicContact CE1-CD1 3.34Å; Y304-L552 HydrophobicContact CE1-CD2 4.49Å; Y304-L552 HydrophobicContact CE1-CG 3.77Å; Y304-L552 HydrophobicContact CG-CD1 4.49Å; Y304-L557 VanDerWaalsContact CB-CD1 3.47Å; Y304-L557 HydrophobicContact CD1-CD1 4.32Å; Y304-L557 HydrophobicContact CG-CD1 4.05Å; Y304-K560 HydrophobicContact CD2-CG 4.42Å; Y304-K560 HydrophobicContact CE2-CD 4.39Å; Y304-K560 HydrophobicContact CE2-CG 3.93Å; Y304-K560 VanDerWaalsContact OH-CE 3.25Å; Y304-K560 WeakPolarHBondContact OH-CE 3.33Å
305L96.8Very high95.3Very high7 Ų729.6 Ų29.64%0.03715%0.148CC..EExtended strand (participates in β ladder)trans-126.4140.2176.672.6103.9000111.6V307 I340 F343 L509 S515 L549 Q550 T551L305-V307 HydrophobicContact CD1-CG2 4.16Å; L305-I340 HydrophobicContact CD1-CD1 4.12Å; L305-I340 HydrophobicContact CD1-CG2 4.41Å; L305-I340 HydrophobicContact CD2-CD1 3.95Å; L305-I340 HydrophobicContact CD2-CG1 4.23Å; L305-I340 HydrophobicContact CD2-CG2 3.87Å; L305-I340 HydrophobicContact CG-CG2 4.15Å; L305-F343 HydrophobicContact CD1-CD2 4.02Å; L305-F343 HydrophobicContact CD1-CE2 3.78Å; L305-L509 HydrophobicContact CB-CD1 4.19Å; L305-L509 HydrophobicContact CD2-CD1 4.34Å; L305-S515 VanDerWaalsContact CA-O 3.26Å; L305-S515 WeakPolarHBondContact CA-O 3.28Å; L305-L549 HydrophobicContact CD2-CB 3.91Å; L305-L549 HydrophobicContact CD2-CD1 4.05Å; L305-L549 HydrophobicContact CD2-CD2 4.29Å; L305-L549 HydrophobicContact CD2-CG 4.3Å; L305-Q550 PolarHBondContact N-O 2.97Å; L305-T551 WeakPolarHBondContact O-CA 3.13Å; L305-T551 WeakPolarHBondContact O-CB 3.37Å; L305-T551 WeakPolarHBondContact O-CG2 3.38Å; L305-T551 PolarHBondContact O-OG1 3.41Å
306L97.7Very high95.2Very high1 Ų132 Ų321%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-129131.8172.7-177.867.2000107.6D308 N346 W376 S515 I516 F517 T551 P554 L557L306-D308 WeakPolarHBondContact CD2-OD1 3.35Å; L306-N346 HydrophobicContact CD1-CB 4.03Å; L306-W376 HydrophobicContact CD1-CE3 4.08Å; L306-W376 HydrophobicContact CD1-CZ3 3.94Å; L306-S515 PolarHBondContact N-O 3.23Å; L306-I516 HydrophobicContact CB-CG1 4.3Å; L306-I516 HydrophobicContact CB-CG2 4.32Å; L306-I516 HydrophobicContact CD2-CG2 4.14Å; L306-I516 HydrophobicContact CG-CG2 4.44Å; L306-I516 CarbonylContact O-C 3.52Å; L306-I516 WeakPolarHBondContact O-CA 3.23Å; L306-F517 PolarHBondContact O-N 2.98Å; L306-T551 HydrophobicContact CD1-CG2 4.26Å; L306-P554 HydrophobicContact CD2-CG 4.04Å; L306-L557 HydrophobicContact CB-CD2 3.98Å; L306-L557 HydrophobicContact CD2-CD2 4.21Å
307V98.3Very high95.3Very high0 Ų035.8 Ų35.80%018%0.177CC..EExtended strand (participates in β ladder)trans-112.3109.1175.5-1770000107.7L305 F343 F345 N346 T519 Y524 F534L305-V307 HydrophobicContact CD1-CG2 4.16Å; V307-F343 HydrophobicContact CG2-CE2 4.08Å; V307-F343 HydrophobicContact CG2-CZ 4.28Å; V307-F345 HydrophobicContact CB-CD1 3.97Å; V307-F345 HydrophobicContact CB-CE1 4.13Å; V307-F345 HydrophobicContact CG1-CD1 3.89Å; V307-F345 HydrophobicContact CG1-CE1 3.86Å; V307-N346 PolarHBondContact O-N 3.24Å; V307-N346 VanDerWaalsContact O-N 3.1Å; V307-T519 HydrophobicContact CG1-CG2 4.44Å; V307-Y524 WeakPolarHBondContact CG1-OH 3.41Å; V307-F534 HydrophobicContact CB-CE2 4.45Å; V307-F534 HydrophobicContact CB-CZ 4.47Å; V307-F534 HydrophobicContact CG1-CD2 4.06Å; V307-F534 HydrophobicContact CG1-CE2 3.5Å; V307-F534 VanDerWaalsContact CG1-CE2 3.5Å; V307-F534 HydrophobicContact CG1-CZ 3.81Å; V307-F534 HydrophobicContact CG2-CD1 3.98Å; V307-F534 HydrophobicContact CG2-CD2 4.26Å; V307-F534 HydrophobicContact CG2-CE1 3.76Å; V307-F534 HydrophobicContact CG2-CE2 4.05Å; V307-F534 HydrophobicContact CG2-CG 4.24Å; V307-F534 HydrophobicContact CG2-CZ 3.8Å
308D98.3Very high95.1Very high0 Ų037.7 Ų37.70%020%0.198CC..EExtended strand (participates in β ladder)trans-95.4129.5177.6-69.1-27.5000109L306 N346 F378 Y418 R474 I516 F517 T519L306-D308 WeakPolarHBondContact CD2-OD1 3.35Å; D308-N346 CarbonylContact C-O 3.52Å; D308-N346 WeakPolarHBondContact CA-O 3.39Å; D308-N346 WeakPolarHBondContact OD1-CB 3.34Å; D308-N346 PolarHBondContact OD1-ND2 3.04Å; D308-F378 HydrophobicContact CB-CE1 4.16Å; D308-F378 HydrophobicContact CB-CZ 4.19Å; D308-Y418 PolarHBondContact OD2-OH 3.42Å; D308-R474 IonicContact OD2-CZ 3.2Å; D308-R474 IonicContact OD2-NE 3.26Å; D308-R474 PolarHBondContact OD2-NE 3.17Å; D308-R474 IonicContact OD2-NH2 3.87Å; D308-I516 WeakPolarHBondContact OD2-CG2 3.17Å; D308-F517 PolarHBondContact N-O 3.49Å; D308-T519 PolarHBondContact O-N 3.11Å; D308-T519 PolarHBondContact O-OG1 3.23Å
309I98.2Very high94.8Very high0 Ų033.3 Ų33.30%019%0.186CC..EExtended strand (participates in β ladder)trans-105.694.9174.3-49.1-178000107.1I312 L329 F345 N346 L347 G348 Y524I309-I312 HydrophobicContact CB-CD1 4.38Å; I309-I312 HydrophobicContact CG2-CD1 3.74Å; I309-L329 HydrophobicContact CD1-CD1 3.99Å; I309-L329 HydrophobicContact CD1-CD2 4.34Å; I309-F345 HydrophobicContact CD1-CB 4.13Å; I309-F345 HydrophobicContact CD1-CD1 3.84Å; I309-F345 HydrophobicContact CD1-CE1 4.46Å; I309-F345 HydrophobicContact CD1-CG 4.08Å; I309-F345 HydrophobicContact CG1-CD1 4.25Å; I309-N346 PolarHBondContact N-O 3.13Å; I309-L347 HydrophobicContact CD1-CD1 4.07Å; I309-L347 HydrophobicContact CG1-CD1 4.48Å; I309-G348 PolarHBondContact O-N 3.41Å; I309-Y524 HydrophobicContact CB-CE2 4.13Å; I309-Y524 HydrophobicContact CD1-CD1 4.22Å; I309-Y524 HydrophobicContact CD1-CD2 3.9Å; I309-Y524 HydrophobicContact CD1-CE1 3.87Å; I309-Y524 HydrophobicContact CD1-CE2 3.53Å; I309-Y524 HydrophobicContact CD1-CG 4.23Å; I309-Y524 HydrophobicContact CG1-CD2 4.22Å; I309-Y524 HydrophobicContact CG1-CE2 3.51Å; I309-Y524 HydrophobicContact CG2-CD2 3.73Å; I309-Y524 HydrophobicContact CG2-CE2 3.67Å
310D97.6Very high94.8Very high4 Ų432 Ų322%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-70.7168.7174.7-64.2-3.4000109.6I312 F378 R474 T519 H520 L521D310-I312 VanDerWaalsContact C-N 3.34Å; D310-I312 PolarHBondContact O-N 3.4Å; D310-F378 VanDerWaalsContact OD1-CZ 3.23Å; D310-F378 WeakPolarHBondContact OD1-CZ 3.33Å; D310-R474 IonicContact OD1-CZ 2.6Å; D310-R474 IonicContact OD1-NH1 3.46Å; D310-R474 PolarHBondContact OD1-NH1 3.09Å; D310-R474 IonicContact OD1-NH2 3.69Å; D310-R474 PolarHBondContact OD1-NH2 2.96Å; D310-R474 IonicContact OD2-CZ 3.81Å; D310-R474 IonicContact OD2-NH1 3.02Å; D310-R474 PolarHBondContact OD2-NH1 3.33Å; D310-R474 IonicContact OD2-NH2 3.81Å; D310-R474 PolarHBondContact OD2-NH2 3.03Å; D310-R474 VanDerWaalsContact OD2-NH2 3.08Å; D310-T519 PolarHBondContact N-O 3.05Å; D310-H520 CarbonylContact O-C 3.48Å; D310-H520 WeakPolarHBondContact O-CA 3.5Å; D310-L521 PolarHBondContact O-N 2.91Å
311D96.9Very high94.9Very high27 Ų2729 Ų2914%0.14416%0.158CC..EExtended strand (participates in β ladder)trans65.725.4170.4-61.5-4.1000116.5F313 V314 G348 H380 H384 H520 L521D311-F313 PolarHBondContact O-N 3.2Å; D311-V314 HydrophobicContact CB-CB 4Å; D311-V314 HydrophobicContact CB-CG2 4.27Å; D311-V314 PolarHBondContact O-N 2.94Å; D311-G348 PolarHBondContact N-O 3.23Å; D311-H380 IonicContact OD1-CD2 2.69Å; D311-H380 PolarHBondContact OD1-CD2 3.31Å; D311-H380 IonicContact OD1-NE2 3Å; D311-H380 PolarHBondContact OD1-NE2 3.07Å; D311-H384 IonicContact OD1-CD2 3.87Å; D311-H384 PolarHBondContact OD1-CD2 3.13Å; D311-H384 IonicContact OD1-CE1 3.99Å; D311-H384 IonicContact OD1-NE2 3.67Å; D311-H384 PolarHBondContact OD1-NE2 2.92Å; D311-H520 IonicContact OD2-CD2 2.7Å; D311-H520 PolarHBondContact OD2-CD2 3.5Å; D311-L521 WeakPolarHBondContact O-CB 3.46Å
312I97.9Very high94.9Very high0 Ų028.8 Ų28.80%016%0.157CC..EExtended strand (participates in β ladder)trans-57.8126.8169.6-57.2-64.6000109.1I309 D310 V314 M321 L347 G348 F349 S350 L368 W377 L521I309-I312 HydrophobicContact CB-CD1 4.38Å; I309-I312 HydrophobicContact CG2-CD1 3.74Å; D310-I312 VanDerWaalsContact C-N 3.34Å; D310-I312 PolarHBondContact O-N 3.4Å; I312-V314 VanDerWaalsContact C-N 3.33Å; I312-V314 PolarHBondContact O-N 2.94Å; I312-M321 HydrophobicContact CD1-CE 3.92Å; I312-L347 HydrophobicContact CD1-CB 4.49Å; I312-L347 HydrophobicContact CD1-CD2 4.19Å; I312-L347 HydrophobicContact CD1-CG 3.95Å; I312-L347 HydrophobicContact CG1-CB 3.91Å; I312-L347 HydrophobicContact CG1-CD2 4.34Å; I312-L347 HydrophobicContact CG1-CG 3.94Å; I312-G348 WeakPolarHBondContact CB-O 3.23Å; I312-G348 PolarHBondContact N-O 3.21Å; I312-F349 HydrophobicContact CB-CB 4.1Å; I312-F349 HydrophobicContact CG2-CB 4.32Å; I312-S350 PolarHBondContact O-N 3.26Å; I312-S350 VanDerWaalsContact O-N 3.14Å; I312-L368 HydrophobicContact CG2-CD1 4.36Å; I312-W377 HydrophobicContact CG2-CZ3 4.17Å; I312-L521 HydrophobicContact CD1-CB 4.27Å; I312-L521 HydrophobicContact CD1-CD1 4.16Å
313F96.9Very high94.9Very high0 Ų028.3 Ų28.30%016%0.156CC..THydrogen-bonded Turntrans72.8-10.2-169.4-46.1-52.5000117.5D311 R320 F349 F353 Y354 D365 L369 F406D311-F313 PolarHBondContact O-N 3.2Å; F313-R320 VanDerWaalsContact O-CZ 3.26Å; F313-R320 PolarHBondContact O-NH1 3.21Å; F313-R320 PolarHBondContact O-NH2 2.87Å; F313-F349 HydrophobicContact CD2-CB 4.22Å; F313-F349 HydrophobicContact CE2-CB 4.18Å; F313-F353 HydrophobicContact CB-CB 4.24Å; F313-F353 CarbonylContact O-C 3.5Å; F313-F353 WeakPolarHBondContact O-CB 3.46Å; F313-Y354 HydrophobicContact CD1-CD2 4.08Å; F313-Y354 AromaticContact CE1-CD2 3.87Å; F313-Y354 HydrophobicContact CE1-CD2 3.87Å; F313-Y354 HydrophobicContact CE1-CE2 4.48Å; F313-Y354 HydrophobicContact CZ-CD2 4.19Å; F313-D365 HydrophobicContact CD1-CB 4.05Å; F313-D365 VanDerWaalsContact CD1-CG 3.44Å; F313-D365 WeakPolarHBondContact CD1-OD1 3.39Å; F313-D365 HydrophobicContact CE1-CB 3.78Å; F313-L369 HydrophobicContact CE2-CD2 4.43Å; F313-L369 HydrophobicContact CZ-CD1 4.34Å; F313-L369 HydrophobicContact CZ-CD2 3.85Å; F313-L369 HydrophobicContact CZ-CG 4.02Å; F313-F406 HydrophobicContact CD2-CE1 4.42Å; F313-F406 HydrophobicContact CD2-CZ 4.48Å; F313-F406 AromaticContact CE2-CE1 3.9Å; F313-F406 HydrophobicContact CE2-CE1 3.9Å; F313-F406 HydrophobicContact CE2-CZ 4.07Å
314V94.1Very high94.9Very high30 Ų3033.2 Ų33.218%0.18218%0.182CC..THydrogen-bonded Turntrans-82.1-24.4-171.1-177.10000113.5D311 I312 F353 H384D311-V314 HydrophobicContact CB-CB 4Å; D311-V314 HydrophobicContact CB-CG2 4.27Å; D311-V314 PolarHBondContact O-N 2.94Å; I312-V314 VanDerWaalsContact C-N 3.33Å; I312-V314 PolarHBondContact O-N 2.94Å; V314-F353 HydrophobicContact CB-CD2 4.38Å; V314-F353 HydrophobicContact CG1-CD2 4.42Å; V314-F353 HydrophobicContact CG1-CE2 4.33Å; V314-F353 HydrophobicContact CG2-CD2 3.89Å; V314-F353 HydrophobicContact CG2-CE2 4.21Å; V314-H384 HydrophobicContact CG1-CB 4.18Å; V314-H384 HydrophobicContact CG2-CB 4.07Å
315G85.2Confident94.9Very high17 Ų1732.4 Ų32.418%0.17518%0.179CC..PPolyproline II helixtrans-52.4148.7-172.500000114.2R320G315-R320 PolarHBondContact O-NH1 3.45Å
316K88.4Confident95Very high175 Ų17532 Ų3276%0.76118%0.177SC*.PPolyproline II helixtrans-73.3154.9175.2-64-177.1-178.7-179.60110.2G318 T319 R320K316-G318 PolarHBondContact O-N 3.48Å; K316-T319 PolarHBondContact N-OG1 3.23Å; K316-T319 VanDerWaalsContact N-OG1 3.15Å; K316-T319 PolarHBondContact O-N 3.32Å; K316-T319 PolarHBondContact O-OG1 3.12Å; K316-R320 WeakPolarHBondContact O-CG 3.42Å
317E90.4Very high95Very high139 Ų13936.1 Ų36.165%0.6520%0.196SC*.THydrogen-bonded Turntrans-46.6133.4170.2-166.9-173.6149.100111.5T319 T358E317-T319 VanDerWaalsContact C-N 3.3Å; E317-T358 HydrophobicContact CG-CG2 3.51Å; E317-T358 WeakPolarHBondContact OE1-CG2 3.31Å
318G88.2Confident95Very high47 Ų4736.8 Ų36.849%0.48520%0.202SC..THydrogen-bonded Turntrans83.6-2.6-176.400000114.8K316 E361 N526K316-G318 PolarHBondContact O-N 3.48Å; G318-E361 VanDerWaalsContact CA-OE1 3.28Å; G318-E361 WeakPolarHBondContact CA-OE1 3.41Å; G318-E361 PolarHBondContact N-OE1 2.75Å; G318-E361 PolarHBondContact N-OE2 2.6Å; G318-N526 PolarHBondContact O-ND2 2.75Å
319T88.3Confident95Very high38 Ų3836.8 Ų36.823%0.23320%0.202CC..SBendtrans-119.4-0.4177.665.80000113.5K316 E317 E361 T483K316-T319 PolarHBondContact N-OG1 3.23Å; K316-T319 VanDerWaalsContact N-OG1 3.15Å; K316-T319 PolarHBondContact O-N 3.32Å; K316-T319 PolarHBondContact O-OG1 3.12Å; E317-T319 VanDerWaalsContact C-N 3.3Å; T319-E361 PolarHBondContact N-OE1 3.05Å; T319-T483 WeakPolarHBondContact CB-OG1 3.15Å; T319-T483 WeakPolarHBondContact CG2-OG1 3.37Å
320R93.3Very high95Very high5 Ų537.7 Ų37.72%0.01921%0.206CC..SBendtrans-86.2170.5-176.4-46.1169.669.492.2-7.2110.5F313 G315 K316 F353 T356 E361 D365 L521F313-R320 VanDerWaalsContact O-CZ 3.26Å; F313-R320 PolarHBondContact O-NH1 3.21Å; F313-R320 PolarHBondContact O-NH2 2.87Å; G315-R320 PolarHBondContact O-NH1 3.45Å; K316-R320 WeakPolarHBondContact O-CG 3.42Å; R320-F353 PolarHBondContact NH2-O 3.05Å; R320-T356 PolarHBondContact NH1-OG1 3.4Å; R320-E361 HydrophobicContact CB-CB 3.99Å; R320-E361 HydrophobicContact CB-CG 3.82Å; R320-E361 WeakPolarHBondContact CB-OE1 3.31Å; R320-E361 HydrophobicContact CG-CG 4.49Å; R320-E361 PolarHBondContact N-OE1 3.43Å; R320-D365 IonicContact CZ-OD2 3.55Å; R320-D365 IonicContact NE-OD2 3.18Å; R320-D365 IonicContact NH2-OD1 2.75Å; R320-D365 PolarHBondContact NH2-OD1 2.98Å; R320-D365 IonicContact NH2-OD2 2.75Å; R320-D365 PolarHBondContact NH2-OD2 3.32Å; R320-L521 HydrophobicContact CB-CD2 4.33Å
321M96.1Very high95Very high0 Ų041.6 Ų41.60%023%0.227CC..  trans-82.1129.1173.9-69.8-176.6-76.800109.1I312 D325 V326 L329 L368 L521 Y524I312-M321 HydrophobicContact CD1-CE 3.92Å; M321-D325 HydrophobicContact CB-CB 3.8Å; M321-D325 HydrophobicContact CG-CB 3.99Å; M321-V326 HydrophobicContact CB-CG2 3.98Å; M321-L329 HydrophobicContact SD-CD2 4.34Å; M321-L368 HydrophobicContact CE-CD1 3.77Å; M321-L368 HydrophobicContact CE-CD2 4.43Å; M321-L521 HydrophobicContact CE-CD1 3.89Å; M321-L521 HydrophobicContact CE-CG 3.93Å; M321-Y524 VanDerWaalsContact SD-CB 3.58Å
322N96.9Very high95.1Very high36 Ų3641.2 Ų41.219%0.19323%0.226CC..  trans-88.5-179.3164.863.238.9000111N324 D325 V326 E360N322-N324 VanDerWaalsContact C-N 3.27Å; N322-N324 PolarHBondContact O-N 2.88Å; N322-N324 WeakPolarHBondContact OD1-CA 3.43Å; N322-N324 WeakPolarHBondContact OD1-CB 3.5Å; N322-N324 PolarHBondContact OD1-N 3.44Å; N322-D325 PolarHBondContact N-OD2 3.08Å; N322-D325 WeakPolarHBondContact O-CB 3.41Å; N322-D325 PolarHBondContact O-N 2.85Å; N322-D325 PolarHBondContact OD1-N 3.37Å; N322-D325 PolarHBondContact OD1-OD2 2.91Å; N322-V326 WeakPolarHBondContact O-CG2 3.35Å; N322-V326 PolarHBondContact O-N 2.94Å; N322-E360 WeakPolarHBondContact CA-O 3.2Å; N322-E360 HydrophobicContact CB-CB 4.45Å; N322-E360 WeakPolarHBondContact CB-O 3.48Å
323T97.7Very high95.1Very high43 Ų4341.2 Ų41.226%0.26423%0.226SC..Hα-helixtrans-54.8-38.8179.152.90000113.6D325 V326 Q327 E363 L367T323-D325 VanDerWaalsContact C-N 3.34Å; T323-D325 PolarHBondContact O-N 3.37Å; T323-V326 PolarHBondContact O-N 2.87Å; T323-Q327 WeakPolarHBondContact O-CB 3.28Å; T323-Q327 PolarHBondContact O-N 2.83Å; T323-E363 HydrophobicContact CG2-CB 3.63Å; T323-L367 HydrophobicContact CG2-CD2 4.44Å
324N97.9Very high95.1Very high106 Ų10645.3 Ų45.357%0.56725%0.248SC*.Hα-helixtrans-67.4-35.5177.9-64-50.2000112.2N322 A328 R528N322-N324 VanDerWaalsContact C-N 3.27Å; N322-N324 PolarHBondContact O-N 2.88Å; N322-N324 WeakPolarHBondContact OD1-CA 3.43Å; N322-N324 WeakPolarHBondContact OD1-CB 3.5Å; N322-N324 PolarHBondContact OD1-N 3.44Å; N324-A328 WeakPolarHBondContact O-CB 3.39Å; N324-A328 PolarHBondContact O-N 2.89Å; N324-R528 PolarHBondContact O-NH2 2.61Å; N324-R528 VanDerWaalsContact O-NH2 3.11Å
325D97.9Very high95.2Very high5 Ų547.9 Ų47.93%0.02726%0.26CS..Hα-helixtrans-69.8-43.3178.3-64.1-32.1000111.2M321 N322 T323 A328 L329 R528M321-D325 HydrophobicContact CB-CB 3.8Å; M321-D325 HydrophobicContact CG-CB 3.99Å; N322-D325 PolarHBondContact N-OD2 3.08Å; N322-D325 WeakPolarHBondContact O-CB 3.41Å; N322-D325 PolarHBondContact O-N 2.85Å; N322-D325 PolarHBondContact OD1-N 3.37Å; N322-D325 PolarHBondContact OD1-OD2 2.91Å; T323-D325 VanDerWaalsContact C-N 3.34Å; T323-D325 PolarHBondContact O-N 3.37Å; D325-A328 PolarHBondContact O-N 3.13Å; D325-L329 PolarHBondContact O-N 3.28Å; D325-R528 IonicContact OD1-CZ 4Å; D325-R528 IonicContact OD1-NE 3.36Å; D325-R528 PolarHBondContact OD1-NE 3.42Å; D325-R528 IonicContact OD1-NH2 3.53Å; D325-R528 PolarHBondContact OD1-NH2 3.35Å
326V98.1Very high95.8Very high0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-64.7-40.6176.3178.40000111.2M321 N322 T323 A328 L329 L330 L367 L368M321-V326 HydrophobicContact CB-CG2 3.98Å; N322-V326 WeakPolarHBondContact O-CG2 3.35Å; N322-V326 PolarHBondContact O-N 2.94Å; T323-V326 PolarHBondContact O-N 2.87Å; V326-A328 VanDerWaalsContact C-N 3.34Å; V326-A328 PolarHBondContact O-N 3.16Å; V326-L329 WeakPolarHBondContact O-CB 3.29Å; V326-L329 PolarHBondContact O-N 2.87Å; V326-L330 PolarHBondContact O-N 3.26Å; V326-L330 VanDerWaalsContact O-N 3.08Å; V326-L367 HydrophobicContact CB-CD2 4Å; V326-L367 HydrophobicContact CB-CG 4.29Å; V326-L367 HydrophobicContact CG1-CB 4.19Å; V326-L367 HydrophobicContact CG1-CD2 3.96Å; V326-L367 HydrophobicContact CG1-CG 3.77Å; V326-L368 HydrophobicContact CB-CD2 4.5Å; V326-L368 HydrophobicContact CG1-CD2 3.73Å; V326-L368 HydrophobicContact CG1-CG 3.93Å; V326-L368 HydrophobicContact CG2-CD1 4.22Å; V326-L368 HydrophobicContact CG2-CD2 4.02Å; V326-L368 HydrophobicContact CG2-CG 3.71Å
327Q98.3Very high96.2Very high87 Ų8742.7 Ų42.741%0.40723%0.231SC..Hα-helixtrans-61.7-43.7173.8-172.959.654.200111.4T323 L329 L330 D331T323-Q327 WeakPolarHBondContact O-CB 3.28Å; T323-Q327 PolarHBondContact O-N 2.83Å; Q327-L329 VanDerWaalsContact C-N 3.29Å; Q327-L329 PolarHBondContact O-N 2.85Å; Q327-L330 PolarHBondContact O-N 3.05Å; Q327-D331 PolarHBondContact NE2-OD1 2.84Å; Q327-D331 PolarHBondContact O-N 3.22Å
328A98.4Very high96.4Very high13 Ų1340.1 Ų40.111%0.10723%0.233CC..Hα-helixtrans-64.1-33.7176.700000112.9N324 D325 V326 T332 R528 L531N324-A328 WeakPolarHBondContact O-CB 3.39Å; N324-A328 PolarHBondContact O-N 2.89Å; D325-A328 PolarHBondContact O-N 3.13Å; V326-A328 VanDerWaalsContact C-N 3.34Å; V326-A328 PolarHBondContact O-N 3.16Å; A328-T332 WeakPolarHBondContact O-CB 3.48Å; A328-T332 PolarHBondContact O-N 2.83Å; A328-T332 PolarHBondContact O-OG1 3.48Å; A328-R528 VanDerWaalsContact CB-NH1 3.26Å; A328-L531 HydrophobicContact CB-CD1 3.88Å
329L98.4Very high96.7Very high0 Ų039.6 Ų39.60%022%0.218CC..Hα-helixtrans-62.4-46.3173.4-179.365.4000111.3I309 M321 D325 V326 Q327 T332 Q333 F345 L368 F375 Y524 L531I309-L329 HydrophobicContact CD1-CD1 3.99Å; I309-L329 HydrophobicContact CD1-CD2 4.34Å; M321-L329 HydrophobicContact SD-CD2 4.34Å; D325-L329 PolarHBondContact O-N 3.28Å; V326-L329 WeakPolarHBondContact O-CB 3.29Å; V326-L329 PolarHBondContact O-N 2.87Å; Q327-L329 VanDerWaalsContact C-N 3.29Å; Q327-L329 PolarHBondContact O-N 2.85Å; L329-T332 PolarHBondContact O-N 2.83Å; L329-Q333 WeakPolarHBondContact O-CB 3.38Å; L329-Q333 PolarHBondContact O-N 2.67Å; L329-F345 HydrophobicContact CD1-CD2 3.59Å; L329-F345 HydrophobicContact CD1-CE1 4.42Å; L329-F345 HydrophobicContact CD1-CE2 3.49Å; L329-F345 VanDerWaalsContact CD1-CE2 3.49Å; L329-F345 HydrophobicContact CD1-CG 4.12Å; L329-F345 HydrophobicContact CD1-CZ 3.94Å; L329-F345 HydrophobicContact CG-CD2 4.29Å; L329-F345 HydrophobicContact CG-CE2 4.44Å; L329-L368 HydrophobicContact CD2-CD2 4.41Å; L329-F375 HydrophobicContact CD2-CE1 3.95Å; L329-F375 HydrophobicContact CD2-CZ 3.84Å; L329-F375 HydrophobicContact CG-CE1 4.02Å; L329-F375 HydrophobicContact CG-CZ 4.07Å; L329-Y524 HydrophobicContact CD1-CD1 3.69Å; L329-Y524 HydrophobicContact CD1-CE1 3.96Å; L329-Y524 HydrophobicContact CD1-CG 4.46Å; L329-L531 HydrophobicContact CD1-CD2 3.74Å
330L98.3Very high97.2Very high19 Ų1938 Ų3810%0.09921%0.208CC..Hα-helixtrans-63-47.5176.1-71.5168.1000112V326 Q327 T332 Q333 N334 E374 F375V326-L330 PolarHBondContact O-N 3.26Å; V326-L330 VanDerWaalsContact O-N 3.08Å; Q327-L330 PolarHBondContact O-N 3.05Å; L330-T332 VanDerWaalsContact C-N 3.32Å; L330-T332 PolarHBondContact O-N 3.36Å; L330-Q333 WeakPolarHBondContact O-CB 3.3Å; L330-Q333 PolarHBondContact O-N 3.41Å; L330-N334 PolarHBondContact O-N 3.37Å; L330-N334 VanDerWaalsContact O-N 3.11Å; L330-N334 PolarHBondContact O-ND2 3.44Å; L330-E374 HydrophobicContact CD2-CB 3.74Å; L330-E374 HydrophobicContact CD2-CG 4Å; L330-F375 HydrophobicContact CD2-CE1 4.25Å; L330-F375 HydrophobicContact CD2-CE2 3.74Å; L330-F375 HydrophobicContact CD2-CZ 3.44Å; L330-F375 VanDerWaalsContact CD2-CZ 3.44Å; L330-F375 HydrophobicContact CG-CE2 4.43Å; L330-F375 HydrophobicContact CG-CZ 3.98Å
331D98.1Very high97.4Very high87 Ų8741.5 Ų41.547%0.46523%0.23SC..Hα-helixtrans-61.7-42.6179.1-65.8-16.2000111.1Q327 N334 L335Q327-D331 PolarHBondContact NE2-OD1 2.84Å; Q327-D331 PolarHBondContact O-N 3.22Å; D331-N334 PolarHBondContact O-N 3.49Å; D331-L335 PolarHBondContact O-N 3.42Å
332T98.3Very high97.4Very high19 Ų1947 Ų4712%0.11726%0.259CS..Hα-helixtrans-68.1-37.5177.9-59.90000111.9A328 L329 L330 N334 L335 L336 L531 V535A328-T332 WeakPolarHBondContact O-CB 3.48Å; A328-T332 PolarHBondContact O-N 2.83Å; A328-T332 PolarHBondContact O-OG1 3.48Å; L329-T332 PolarHBondContact O-N 2.83Å; L330-T332 VanDerWaalsContact C-N 3.32Å; L330-T332 PolarHBondContact O-N 3.36Å; T332-N334 VanDerWaalsContact C-N 3.28Å; T332-N334 PolarHBondContact O-N 3.48Å; T332-L335 WeakPolarHBondContact O-CB 3.4Å; T332-L335 PolarHBondContact O-N 2.88Å; T332-L336 HydrophobicContact CG2-CD1 3.98Å; T332-L336 HydrophobicContact CG2-CG 4.23Å; T332-L336 WeakPolarHBondContact O-CB 3.15Å; T332-L336 WeakPolarHBondContact O-CG 3.14Å; T332-L336 PolarHBondContact O-N 3.31Å; T332-L531 HydrophobicContact CG2-CB 4.2Å; T332-L531 HydrophobicContact CG2-CD2 3.84Å; T332-V535 HydrophobicContact CG2-CG2 3.49Å; T332-V535 VanDerWaalsContact CG2-CG2 3.49Å
333Q97.6Very high97.5Very high0 Ų045.3 Ų45.30%025%0.25CS..Hα-helixtrans-57.2-44.8173178.9165.7-10000110.8L329 L330 L336 R337 F343 T344 F345 E374L329-Q333 WeakPolarHBondContact O-CB 3.38Å; L329-Q333 PolarHBondContact O-N 2.67Å; L330-Q333 WeakPolarHBondContact O-CB 3.3Å; L330-Q333 PolarHBondContact O-N 3.41Å; Q333-L336 PolarHBondContact O-N 2.93Å; Q333-R337 VanDerWaalsContact NE2-NH2 3.17Å; Q333-R337 VanDerWaalsContact O-CG 3.32Å; Q333-R337 WeakPolarHBondContact O-CG 3.41Å; Q333-R337 PolarHBondContact O-N 3.1Å; Q333-F343 HydrophobicContact CG-CD1 4.15Å; Q333-F343 HydrophobicContact CG-CE1 4.42Å; Q333-T344 VanDerWaalsContact OE1-CA 3.32Å; Q333-F345 HydrophobicContact CB-CD2 3.93Å; Q333-F345 HydrophobicContact CB-CE2 3.99Å; Q333-F345 HydrophobicContact CG-CD2 4.29Å; Q333-E374 PolarHBondContact NE2-O 3.23Å
334N96.6Very high97.5Very high85 Ų8544 Ų4446%0.45524%0.242SC..Hα-helixtrans-65.4-39.6176.5-70-33.9000112.6L330 D331 T332 L336 R337L330-N334 PolarHBondContact O-N 3.37Å; L330-N334 VanDerWaalsContact O-N 3.11Å; L330-N334 PolarHBondContact O-ND2 3.44Å; D331-N334 PolarHBondContact O-N 3.49Å; T332-N334 VanDerWaalsContact C-N 3.28Å; T332-N334 PolarHBondContact O-N 3.48Å; N334-L336 PolarHBondContact O-N 3.27Å; N334-R337 PolarHBondContact O-N 3.47Å; N334-R337 PolarHBondContact OD1-NH1 2.59Å
335L97.3Very high97.5Very high84 Ų8439 Ų3944%0.4422%0.215SC..Hα-helixtrans-60.5-44.2173178.564.1000112D331 T332 A338 V535D331-L335 PolarHBondContact O-N 3.42Å; T332-L335 WeakPolarHBondContact O-CB 3.4Å; T332-L335 PolarHBondContact O-N 2.88Å; L335-A338 WeakPolarHBondContact O-CB 3.44Å; L335-A338 PolarHBondContact O-N 3.31Å; L335-V535 HydrophobicContact CD2-CG1 3.94Å; L335-V535 HydrophobicContact CD2-CG2 4.02Å
336L98Very high97.6Very high0 Ų038.8 Ų38.80%021%0.214CC..Hα-helixtrans-69.2-33.5179.9-72.7173.8000112T332 Q333 N334 A338 Q339 I340 F343 F345 F534 V535 A538T332-L336 HydrophobicContact CG2-CD1 3.98Å; T332-L336 HydrophobicContact CG2-CG 4.23Å; T332-L336 WeakPolarHBondContact O-CB 3.15Å; T332-L336 WeakPolarHBondContact O-CG 3.14Å; T332-L336 PolarHBondContact O-N 3.31Å; Q333-L336 PolarHBondContact O-N 2.93Å; N334-L336 PolarHBondContact O-N 3.27Å; L336-A338 PolarHBondContact O-N 3.26Å; L336-Q339 CarbonylContact O-C 3.55Å; L336-Q339 PolarHBondContact O-N 2.95Å; L336-I340 HydrophobicContact CB-CD1 4.42Å; L336-I340 HydrophobicContact CD2-CD1 4.05Å; L336-I340 PolarHBondContact O-N 3.22Å; L336-F343 HydrophobicContact CB-CB 4.43Å; L336-F343 HydrophobicContact CB-CD1 3.49Å; L336-F343 VanDerWaalsContact CB-CD1 3.49Å; L336-F343 HydrophobicContact CB-CD2 4.44Å; L336-F343 HydrophobicContact CB-CE1 3.8Å; L336-F343 HydrophobicContact CB-CG 3.86Å; L336-F343 HydrophobicContact CB-CZ 4.39Å; L336-F343 HydrophobicContact CD1-CD1 4.03Å; L336-F343 HydrophobicContact CD1-CE1 3.4Å; L336-F343 VanDerWaalsContact CD1-CE1 3.4Å; L336-F343 HydrophobicContact CD1-CE2 4.18Å; L336-F343 HydrophobicContact CD1-CZ 3.49Å; L336-F343 VanDerWaalsContact CD1-CZ 3.49Å; L336-F343 HydrophobicContact CG-CD1 4.42Å; L336-F343 HydrophobicContact CG-CE1 4.25Å; L336-F345 HydrophobicContact CD1-CZ 4.06Å; L336-F534 HydrophobicContact CD1-CB 4.32Å; L336-V535 HydrophobicContact CD2-CG2 4.17Å; L336-V535 HydrophobicContact CG-CG2 4.36Å; L336-A538 HydrophobicContact CD2-CB 3.95Å
337R97Very high97.6Very high84 Ų8438.8 Ų38.832%0.31721%0.214SC..Hα-helixtrans-57.6-27.5172.8-75.6169179.6165-5.9113.1Q333 N334 Q339 I340 F343 E374Q333-R337 VanDerWaalsContact NE2-NH2 3.17Å; Q333-R337 VanDerWaalsContact O-CG 3.32Å; Q333-R337 WeakPolarHBondContact O-CG 3.41Å; Q333-R337 PolarHBondContact O-N 3.1Å; N334-R337 PolarHBondContact O-N 3.47Å; N334-R337 PolarHBondContact OD1-NH1 2.59Å; R337-Q339 VanDerWaalsContact C-N 3.25Å; R337-Q339 PolarHBondContact O-N 2.6Å; R337-I340 WeakPolarHBondContact CA-O 3.45Å; R337-F343 HydrophobicContact CG-CB 4.04Å; R337-F343 WeakPolarHBondContact CG-O 3.23Å; R337-F343 PolarHBondContact NE-O 3.21Å; R337-E374 IonicContact NH1-OE2 3.7Å; R337-E374 PolarHBondContact NH1-OE2 2.72Å; R337-E374 IonicContact NH2-OE2 2.99Å
338A94.8Very high97.6Very high85 Ų8534.6 Ų34.670%0.70220%0.195SC*.THydrogen-bonded Turntrans-72.6-16.2175.100000113.8L335 L336L335-A338 WeakPolarHBondContact O-CB 3.44Å; L335-A338 PolarHBondContact O-N 3.31Å; L336-A338 PolarHBondContact O-N 3.26Å
339Q94.4Very high97.6Very high35 Ų3534 Ų3416%0.16419%0.19CC..THydrogen-bonded Turntrans-119.1-24.5-177-50.9-16824.800113.2L336 R337 N539L336-Q339 CarbonylContact O-C 3.55Å; L336-Q339 PolarHBondContact O-N 2.95Å; R337-Q339 VanDerWaalsContact C-N 3.25Å; R337-Q339 PolarHBondContact O-N 2.6Å; Q339-N539 PolarHBondContact NE2-OD1 2.97Å; Q339-N539 PolarHBondContact OE1-OD1 3.33Å
340I97.9Very high97.6Very high5 Ų534 Ų343%0.02619%0.19CC..SBendtrans-127115.6-175.8-55.5166000107.2L305 L336 R337 N342 F343 A538 L549L305-I340 HydrophobicContact CD1-CD1 4.12Å; L305-I340 HydrophobicContact CD1-CG2 4.41Å; L305-I340 HydrophobicContact CD2-CD1 3.95Å; L305-I340 HydrophobicContact CD2-CG1 4.23Å; L305-I340 HydrophobicContact CD2-CG2 3.87Å; L305-I340 HydrophobicContact CG-CG2 4.15Å; L336-I340 HydrophobicContact CB-CD1 4.42Å; L336-I340 HydrophobicContact CD2-CD1 4.05Å; L336-I340 PolarHBondContact O-N 3.22Å; R337-I340 WeakPolarHBondContact CA-O 3.45Å; I340-N342 PolarHBondContact O-N 3.18Å; I340-F343 HydrophobicContact CB-CB 3.96Å; I340-F343 HydrophobicContact CB-CD2 4.23Å; I340-F343 HydrophobicContact CB-CG 4.41Å; I340-F343 HydrophobicContact CD1-CD2 3.93Å; I340-F343 HydrophobicContact CD1-CE2 4.32Å; I340-F343 HydrophobicContact CG2-CB 4.01Å; I340-F343 HydrophobicContact CG2-CD2 3.95Å; I340-F343 HydrophobicContact CG2-CG 4.43Å; I340-F343 WeakPolarHBondContact O-CB 3.36Å; I340-F343 PolarHBondContact O-N 3.13Å; I340-A538 HydrophobicContact CD1-CB 4.15Å; I340-L549 HydrophobicContact CB-CB 4.21Å; I340-L549 HydrophobicContact CD1-CD1 4.42Å; I340-L549 HydrophobicContact CG1-CB 3.8Å; I340-L549 HydrophobicContact CG1-CD1 3.94Å; I340-L549 HydrophobicContact CG2-CB 4.04Å
341T97.8Very high97.6Very high79 Ų7933.3 Ų33.349%0.48519%0.187SC..BIsolated β-bridgetrans-63.3129.4-175-560000110.5F343 L549 Q550 T551T341-F343 VanDerWaalsContact C-N 3.25Å; T341-F343 PolarHBondContact O-N 3.01Å; T341-L549 PolarHBondContact N-O 3.32Å; T341-Q550 CarbonylContact O-C 3.57Å; T341-Q550 WeakPolarHBondContact O-CA 3.41Å; T341-T551 PolarHBondContact O-N 3.41Å
342N96.3Very high97.5Very high114 Ų11434.1 Ų34.161%0.6119%0.186SC*.THydrogen-bonded Turntrans58.330179.9-55.5-30000114.7I340 T344 T551I340-N342 PolarHBondContact O-N 3.18Å; N342-T344 PolarHBondContact O-N 3.18Å; N342-T551 WeakPolarHBondContact O-CB 3.31Å
343F98.4Very high97.5Very high1 Ų135.7 Ų35.70%0.00419%0.191CC..  trans-61.3128.6179.4-174.8-94.4000112.1L305 V307 Q333 L336 R337 I340 T341 F345L305-F343 HydrophobicContact CD1-CD2 4.02Å; L305-F343 HydrophobicContact CD1-CE2 3.78Å; V307-F343 HydrophobicContact CG2-CE2 4.08Å; V307-F343 HydrophobicContact CG2-CZ 4.28Å; Q333-F343 HydrophobicContact CG-CD1 4.15Å; Q333-F343 HydrophobicContact CG-CE1 4.42Å; L336-F343 HydrophobicContact CB-CB 4.43Å; L336-F343 HydrophobicContact CB-CD1 3.49Å; L336-F343 VanDerWaalsContact CB-CD1 3.49Å; L336-F343 HydrophobicContact CB-CD2 4.44Å; L336-F343 HydrophobicContact CB-CE1 3.8Å; L336-F343 HydrophobicContact CB-CG 3.86Å; L336-F343 HydrophobicContact CB-CZ 4.39Å; L336-F343 HydrophobicContact CD1-CD1 4.03Å; L336-F343 HydrophobicContact CD1-CE1 3.4Å; L336-F343 VanDerWaalsContact CD1-CE1 3.4Å; L336-F343 HydrophobicContact CD1-CE2 4.18Å; L336-F343 HydrophobicContact CD1-CZ 3.49Å; L336-F343 VanDerWaalsContact CD1-CZ 3.49Å; L336-F343 HydrophobicContact CG-CD1 4.42Å; L336-F343 HydrophobicContact CG-CE1 4.25Å; R337-F343 HydrophobicContact CG-CB 4.04Å; R337-F343 WeakPolarHBondContact CG-O 3.23Å; R337-F343 PolarHBondContact NE-O 3.21Å; I340-F343 HydrophobicContact CB-CB 3.96Å; I340-F343 HydrophobicContact CB-CD2 4.23Å; I340-F343 HydrophobicContact CB-CG 4.41Å; I340-F343 HydrophobicContact CD1-CD2 3.93Å; I340-F343 HydrophobicContact CD1-CE2 4.32Å; I340-F343 HydrophobicContact CG2-CB 4.01Å; I340-F343 HydrophobicContact CG2-CD2 3.95Å; I340-F343 HydrophobicContact CG2-CG 4.43Å; I340-F343 WeakPolarHBondContact O-CB 3.36Å; I340-F343 PolarHBondContact O-N 3.13Å; T341-F343 VanDerWaalsContact C-N 3.25Å; T341-F343 PolarHBondContact O-N 3.01Å; F343-F345 HydrophobicContact CE1-CD1 4.24Å; F343-F345 AromaticContact CE1-CD2 3.81Å; F343-F345 HydrophobicContact CE1-CD2 3.81Å; F343-F345 HydrophobicContact CE1-CE1 4.07Å; F343-F345 AromaticContact CE1-CE2 3.62Å; F343-F345 HydrophobicContact CE1-CE2 3.62Å; F343-F345 HydrophobicContact CE1-CG 4.12Å; F343-F345 AromaticContact CE1-CZ 3.75Å; F343-F345 HydrophobicContact CE1-CZ 3.75Å; F343-F345 AromaticContact CZ-CD1 3.94Å; F343-F345 HydrophobicContact CZ-CD1 3.94Å; F343-F345 HydrophobicContact CZ-CD2 4.34Å; F343-F345 AromaticContact CZ-CE1 3.69Å; F343-F345 HydrophobicContact CZ-CE1 3.69Å; F343-F345 HydrophobicContact CZ-CE2 4.11Å; F343-F345 HydrophobicContact CZ-CG 4.26Å; F343-F345 AromaticContact CZ-CZ 3.78Å; F343-F345 HydrophobicContact CZ-CZ 3.78Å
344T98Very high97.5Very high16 Ų1638 Ų3810%0.09820%0.2CC..  trans-147130.4175.2-62.70000108.5Q333 N342 W376Q333-T344 VanDerWaalsContact OE1-CA 3.32Å; N342-T344 PolarHBondContact O-N 3.18Å; T344-W376 HydrophobicContact CG2-CB 4.32Å; T344-W376 HydrophobicContact CG2-CD2 3.86Å; T344-W376 HydrophobicContact CG2-CE3 4.45Å; T344-W376 HydrophobicContact CG2-CG 3.79Å
345F98.5Very high97.5Very high0 Ų037.7 Ų37.70%020%0.196CC..  trans-70.1143.4170.8-72.6-73.1000110.4V307 I309 L329 Q333 L336 F343 L347 F375 W376 Y524 L531V307-F345 HydrophobicContact CB-CD1 3.97Å; V307-F345 HydrophobicContact CB-CE1 4.13Å; V307-F345 HydrophobicContact CG1-CD1 3.89Å; V307-F345 HydrophobicContact CG1-CE1 3.86Å; I309-F345 HydrophobicContact CD1-CB 4.13Å; I309-F345 HydrophobicContact CD1-CD1 3.84Å; I309-F345 HydrophobicContact CD1-CE1 4.46Å; I309-F345 HydrophobicContact CD1-CG 4.08Å; I309-F345 HydrophobicContact CG1-CD1 4.25Å; L329-F345 HydrophobicContact CD1-CD2 3.59Å; L329-F345 HydrophobicContact CD1-CE1 4.42Å; L329-F345 HydrophobicContact CD1-CE2 3.49Å; L329-F345 VanDerWaalsContact CD1-CE2 3.49Å; L329-F345 HydrophobicContact CD1-CG 4.12Å; L329-F345 HydrophobicContact CD1-CZ 3.94Å; L329-F345 HydrophobicContact CG-CD2 4.29Å; L329-F345 HydrophobicContact CG-CE2 4.44Å; Q333-F345 HydrophobicContact CB-CD2 3.93Å; Q333-F345 HydrophobicContact CB-CE2 3.99Å; Q333-F345 HydrophobicContact CG-CD2 4.29Å; L336-F345 HydrophobicContact CD1-CZ 4.06Å; F343-F345 HydrophobicContact CE1-CD1 4.24Å; F343-F345 AromaticContact CE1-CD2 3.81Å; F343-F345 HydrophobicContact CE1-CD2 3.81Å; F343-F345 HydrophobicContact CE1-CE1 4.07Å; F343-F345 AromaticContact CE1-CE2 3.62Å; F343-F345 HydrophobicContact CE1-CE2 3.62Å; F343-F345 HydrophobicContact CE1-CG 4.12Å; F343-F345 AromaticContact CE1-CZ 3.75Å; F343-F345 HydrophobicContact CE1-CZ 3.75Å; F343-F345 AromaticContact CZ-CD1 3.94Å; F343-F345 HydrophobicContact CZ-CD1 3.94Å; F343-F345 HydrophobicContact CZ-CD2 4.34Å; F343-F345 AromaticContact CZ-CE1 3.69Å; F343-F345 HydrophobicContact CZ-CE1 3.69Å; F343-F345 HydrophobicContact CZ-CE2 4.11Å; F343-F345 HydrophobicContact CZ-CG 4.26Å; F343-F345 AromaticContact CZ-CZ 3.78Å; F343-F345 HydrophobicContact CZ-CZ 3.78Å; F345-L347 HydrophobicContact CB-CD1 3.8Å; F345-F375 HydrophobicContact CB-CD1 4.05Å; F345-F375 HydrophobicContact CB-CE1 4.33Å; F345-F375 HydrophobicContact CD2-CE1 4.48Å; F345-W376 PolarHBondContact O-N 2.89Å; F345-Y524 AromaticContact CE1-CE1 3.99Å; F345-Y524 HydrophobicContact CE1-CE1 3.99Å; F345-Y524 HydrophobicContact CZ-CE1 4.25Å; F345-L531 HydrophobicContact CZ-CD2 4.17Å
346N98.3Very high97.4Very high1 Ų136.9 Ų36.91%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-114.2117.1-178.4-168.631.1000109.3L306 V307 D308 I309 W376 F378 Y418L306-N346 HydrophobicContact CD1-CB 4.03Å; V307-N346 PolarHBondContact O-N 3.24Å; V307-N346 VanDerWaalsContact O-N 3.1Å; D308-N346 CarbonylContact C-O 3.52Å; D308-N346 WeakPolarHBondContact CA-O 3.39Å; D308-N346 WeakPolarHBondContact OD1-CB 3.34Å; D308-N346 PolarHBondContact OD1-ND2 3.04Å; I309-N346 PolarHBondContact N-O 3.13Å; N346-W376 CarbonylContact C-O 3.56Å; N346-W376 WeakPolarHBondContact CA-O 3.42Å; N346-W376 HydrophobicContact CB-CB 4.23Å; N346-W376 WeakPolarHBondContact OD1-CB 3.32Å; N346-F378 HydrophobicContact CB-CD1 4.45Å; N346-F378 HydrophobicContact CB-CE1 4.3Å; N346-F378 VanDerWaalsContact CG-CD1 3.49Å; N346-F378 WeakPolarHBondContact ND2-CD1 3.37Å; N346-F378 WeakPolarHBondContact O-CE1 3.11Å; N346-F378 WeakPolarHBondContact OD1-CD1 3.47Å; N346-Y418 WeakPolarHBondContact ND2-CD1 3.38Å; N346-Y418 VanDerWaalsContact ND2-CE1 3.28Å; N346-Y418 WeakPolarHBondContact ND2-CE1 3.33Å
347L98.6Very high97.2Very high0 Ų037.8 Ų37.80%020%0.204CC..EExtended strand (participates in β ladder)trans-104.6119.9-165.8-87.461.8000111.2I309 I312 F345 L368 F375 W376 W377 F378I309-L347 HydrophobicContact CD1-CD1 4.07Å; I309-L347 HydrophobicContact CG1-CD1 4.48Å; I312-L347 HydrophobicContact CD1-CB 4.49Å; I312-L347 HydrophobicContact CD1-CD2 4.19Å; I312-L347 HydrophobicContact CD1-CG 3.95Å; I312-L347 HydrophobicContact CG1-CB 3.91Å; I312-L347 HydrophobicContact CG1-CD2 4.34Å; I312-L347 HydrophobicContact CG1-CG 3.94Å; F345-L347 HydrophobicContact CB-CD1 3.8Å; L347-L368 HydrophobicContact CD2-CD2 4.09Å; L347-F375 HydrophobicContact CD1-CB 4.1Å; L347-F375 HydrophobicContact CD1-CD1 3.79Å; L347-F375 HydrophobicContact CD1-CE1 4.44Å; L347-F375 HydrophobicContact CD1-CG 4.01Å; L347-F375 HydrophobicContact CD2-CB 4.22Å; L347-F375 HydrophobicContact CD2-CD1 4.36Å; L347-F375 HydrophobicContact CD2-CD2 4.05Å; L347-F375 HydrophobicContact CD2-CG 3.95Å; L347-W376 PolarHBondContact N-O 3.45Å; L347-W377 HydrophobicContact CB-CD2 4.08Å; L347-W377 HydrophobicContact CB-CE3 3.78Å; L347-W377 HydrophobicContact CB-CH2 4.45Å; L347-W377 HydrophobicContact CB-CZ3 3.99Å; L347-W377 HydrophobicContact CD2-CH2 3.78Å; L347-W377 HydrophobicContact CD2-CZ2 3.95Å; L347-W377 HydrophobicContact CD2-CZ3 4.12Å; L347-W377 CarbonylContact O-C 3.55Å; L347-W377 WeakPolarHBondContact O-CA 3.22Å; L347-F378 PolarHBondContact O-N 3.04Å
348G98.3Very high97.1Very high0 Ų036 Ų360%020%0.203CC..EExtended strand (participates in β ladder)trans-95.2109.4179.200000111.9I309 D311 I312 F378I309-G348 PolarHBondContact O-N 3.41Å; D311-G348 PolarHBondContact N-O 3.23Å; I312-G348 WeakPolarHBondContact CB-O 3.23Å; I312-G348 PolarHBondContact N-O 3.21Å; G348-F378 WeakPolarHBondContact CA-O 3.23Å
349F98.6Very high97.2Very high1 Ų139.5 Ų39.50%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-111.4146-169.973.5-81.7000114.6I312 F313 W377 F378 H380 N403 F406 A407 I412 W442I312-F349 HydrophobicContact CB-CB 4.1Å; I312-F349 HydrophobicContact CG2-CB 4.32Å; F313-F349 HydrophobicContact CD2-CB 4.22Å; F313-F349 HydrophobicContact CE2-CB 4.18Å; F349-W377 HydrophobicContact CB-CE3 4.31Å; F349-W377 HydrophobicContact CB-CZ3 4.22Å; F349-W377 AromaticContact CD1-CE3 3.92Å; F349-W377 HydrophobicContact CD1-CE3 3.92Å; F349-W377 HydrophobicContact CG-CE3 4.35Å; F349-F378 WeakPolarHBondContact CD1-O 3.19Å; F349-F378 WeakPolarHBondContact CE1-O 3.46Å; F349-F378 PolarHBondContact N-O 2.9Å; F349-F378 VanDerWaalsContact N-O 3.11Å; F349-H380 WeakPolarHBondContact O-CB 3.46Å; F349-H380 PolarHBondContact O-N 2.86Å; F349-N403 VanDerWaalsContact CE2-ND2 3.34Å; F349-N403 WeakPolarHBondContact CE2-ND2 3.32Å; F349-N403 PolarHBondContact O-ND2 3.34Å; F349-N403 VanDerWaalsContact O-ND2 3.14Å; F349-F406 HydrophobicContact CD2-CD1 4.17Å; F349-F406 HydrophobicContact CD2-CE1 4.38Å; F349-F406 HydrophobicContact CE2-CD1 4.11Å; F349-A407 HydrophobicContact CE2-CB 4.08Å; F349-A407 HydrophobicContact CZ-CB 3.73Å; F349-I412 HydrophobicContact CD1-CG2 4.4Å; F349-I412 HydrophobicContact CD2-CD1 4.29Å; F349-I412 HydrophobicContact CE1-CG2 3.88Å; F349-I412 HydrophobicContact CE2-CD1 4.34Å; F349-I412 HydrophobicContact CG-CD1 4.41Å; F349-I412 HydrophobicContact CZ-CG2 4.22Å; F349-W442 AromaticContact CZ-CH2 3.97Å; F349-W442 HydrophobicContact CZ-CH2 3.97Å
350S98.4Very high97.3Very high0 Ų044.1 Ų44.10%023%0.226CC..  trans-124.795.7169.5-59.50000109.8I312 K352 F353 H380 M381I312-S350 PolarHBondContact O-N 3.26Å; I312-S350 VanDerWaalsContact O-N 3.14Å; S350-K352 PolarHBondContact O-N 3.42Å; S350-F353 PolarHBondContact O-N 2.76Å; S350-H380 PolarHBondContact OG-O 3.41Å; S350-M381 VanDerWaalsContact CA-O 3.3Å; S350-M381 WeakPolarHBondContact CA-O 3.25Å; S350-M381 WeakPolarHBondContact CB-O 3.44Å; S350-M381 PolarHBondContact OG-O 3.06Å
351G97.9Very high97.3Very high3 Ų344.3 Ų44.33%0.03123%0.227CC..G310 helixtrans-64.4-13.8-16800000115.8F353 Y354 N403G351-F353 PolarHBondContact O-N 3.21Å; G351-F353 VanDerWaalsContact O-N 3.16Å; G351-Y354 PolarHBondContact O-N 2.98Å; G351-N403 PolarHBondContact N-OD1 3.21Å
352K97.8Very high97.3Very high104 Ų10442.2 Ų42.245%0.45221%0.213SC..G310 helixtrans-59.4-28.5178.2-177.4178.2178.7-177.80113S350 W382 S383S350-K352 PolarHBondContact O-N 3.42Å; K352-W382 HydrophobicContact CB-CD2 3.76Å; K352-W382 HydrophobicContact CB-CE3 4.21Å; K352-W382 HydrophobicContact CB-CG 4.18Å; K352-W382 HydrophobicContact CB-CH2 4.3Å; K352-W382 HydrophobicContact CB-CZ2 3.85Å; K352-W382 HydrophobicContact CB-CZ3 4.47Å; K352-W382 WeakPolarHBondContact CB-O 3.43Å; K352-W382 HydrophobicContact CG-CZ2 4.21Å; K352-W382 VanDerWaalsContact N-CE3 3.31Å; K352-W382 PolarHBondContact N-O 2.97Å; K352-S383 VanDerWaalsContact CD-OG 3.28Å; K352-S383 WeakPolarHBondContact CD-OG 3.28Å; K352-S383 PolarHBondContact NZ-OG 3.24Å
353F97.4Very high97.4Very high52 Ų5241.4 Ų41.423%0.22821%0.205CC..G310 helixtrans-105.314.3-171-53.9-84.8000112.6F313 V314 R320 S350 G351 T356 H384F313-F353 HydrophobicContact CB-CB 4.24Å; F313-F353 CarbonylContact O-C 3.5Å; F313-F353 WeakPolarHBondContact O-CB 3.46Å; V314-F353 HydrophobicContact CB-CD2 4.38Å; V314-F353 HydrophobicContact CG1-CD2 4.42Å; V314-F353 HydrophobicContact CG1-CE2 4.33Å; V314-F353 HydrophobicContact CG2-CD2 3.89Å; V314-F353 HydrophobicContact CG2-CE2 4.21Å; R320-F353 PolarHBondContact NH2-O 3.05Å; S350-F353 PolarHBondContact O-N 2.76Å; G351-F353 PolarHBondContact O-N 3.21Å; G351-F353 VanDerWaalsContact O-N 3.16Å; F353-T356 PolarHBondContact O-OG1 3.29Å; F353-H384 HydrophobicContact CE2-CB 3.78Å; F353-H384 HydrophobicContact CZ-CB 4.37Å
354Y97.4Very high97.4Very high48 Ų4841.4 Ų41.419%0.18821%0.205CC..THydrogen-bonded Turntrans-64.3135170176.1-116.3000109.4F313 G351 D365 D366 L369 F406 H410F313-Y354 HydrophobicContact CD1-CD2 4.08Å; F313-Y354 AromaticContact CE1-CD2 3.87Å; F313-Y354 HydrophobicContact CE1-CD2 3.87Å; F313-Y354 HydrophobicContact CE1-CE2 4.48Å; F313-Y354 HydrophobicContact CZ-CD2 4.19Å; G351-Y354 PolarHBondContact O-N 2.98Å; Y354-D365 HydrophobicContact CD2-CB 3.89Å; Y354-D365 HydrophobicContact CE2-CB 3.75Å; Y354-D366 PolarHBondContact OH-OD1 3.29Å; Y354-L369 HydrophobicContact CD2-CD1 4Å; Y354-L369 HydrophobicContact CE1-CD1 4.46Å; Y354-L369 HydrophobicContact CE2-CD1 3.39Å; Y354-L369 HydrophobicContact CE2-CG 4.36Å; Y354-F406 AromaticContact CD1-CE2 3.86Å; Y354-F406 HydrophobicContact CD1-CE2 3.86Å; Y354-F406 HydrophobicContact CD1-CZ 4.2Å; Y354-F406 HydrophobicContact CD2-CZ 4.27Å; Y354-F406 AromaticContact CG-CE2 3.86Å; Y354-F406 HydrophobicContact CG-CE2 3.86Å; Y354-F406 AromaticContact CG-CZ 3.82Å; Y354-F406 HydrophobicContact CG-CZ 3.82Å; Y354-H410 AromaticContact CE1-NE2 3.95Å
355H96.8Very high97.4Very high79 Ų7940.6 Ų40.637%0.36620%0.201SC..THydrogen-bonded Turntrans56.651.8-177-66.8178.5000114.2D362 D365 D366H355-D362 VanDerWaalsContact CA-OD1 3.27Å; H355-D362 WeakPolarHBondContact CA-OD1 3.31Å; H355-D362 PolarHBondContact NE2-O 3.31Å; H355-D365 PolarHBondContact N-OD2 3.44Å; H355-D366 IonicContact CD2-OD1 3.57Å; H355-D366 IonicContact CE1-OD1 2.71Å; H355-D366 PolarHBondContact CE1-OD1 2.97Å; H355-D366 IonicContact NE2-OD1 3.48Å; H355-D366 PolarHBondContact NE2-OD1 3.13Å
356T95Very high97.4Very high67 Ų6742.5 Ų42.541%0.41121%0.21SC..  trans-120.817.5173.4690000112.7R320 F353 D362R320-T356 PolarHBondContact NH1-OG1 3.4Å; F353-T356 PolarHBondContact O-OG1 3.29Å; T356-D362 PolarHBondContact N-OD1 2.95Å
357G93.6Very high97.4Very high19 Ų1944.2 Ų44.220%0.19622%0.22CC..SBendtrans-102.1-160.8177.500000113E361 D362G357-E361 WeakPolarHBondContact CA-OE2 3.44Å; G357-D362 WeakPolarHBondContact CA-OD1 3.49Å; G357-D362 PolarHBondContact N-OD1 3.49Å
358T96.1Very high97.4Very high47 Ų4744.2 Ų44.229%0.28822%0.22SC..  trans-73.8166.8162.862.50000111.2E317 E360 E361 D362E317-T358 HydrophobicContact CG-CG2 3.51Å; E317-T358 WeakPolarHBondContact OE1-CG2 3.31Å; T358-E360 VanDerWaalsContact C-N 3.27Å; T358-E360 PolarHBondContact O-N 3.02Å; T358-E361 PolarHBondContact N-OE2 3.24Å; T358-E361 PolarHBondContact O-N 3.1Å; T358-E361 VanDerWaalsContact OG1-CG 3.32Å; T358-E361 WeakPolarHBondContact OG1-CG 3.18Å; T358-E361 PolarHBondContact OG1-N 3.26Å; T358-E361 PolarHBondContact OG1-OE2 3.49Å; T358-D362 WeakPolarHBondContact O-CB 3.38Å; T358-D362 PolarHBondContact O-N 2.91Å
359E96.8Very high97.3Very high158 Ų15845.2 Ų45.274%0.73823%0.225SC*.Hα-helixtrans-52.5-43.8176-171.6174.6-17200112.3E361 D362 E363E359-E361 PolarHBondContact O-N 2.87Å; E359-D362 PolarHBondContact O-N 3.49Å; E359-E363 WeakPolarHBondContact O-CG 3.45Å; E359-E363 PolarHBondContact O-N 3.2Å
360E96.5Very high97.3Very high132 Ų13254.3 Ų54.362%0.61726%0.259SS*.Hα-helixtrans-67.4-33178-63.6-179.6-176.500113.4N322 T358 G364N322-E360 WeakPolarHBondContact CA-O 3.2Å; N322-E360 HydrophobicContact CB-CB 4.45Å; N322-E360 WeakPolarHBondContact CB-O 3.48Å; T358-E360 VanDerWaalsContact C-N 3.27Å; T358-E360 PolarHBondContact O-N 3.02Å; E360-G364 PolarHBondContact O-N 3.37Å
361E96.9Very high97.3Very high10 Ų1055.2 Ų55.25%0.04727%0.266CS..Hα-helixtrans-75.7-38.3176.7-70.8174.5136.900111.3G318 T319 R320 G357 T358 E359 E363 G364 D365G318-E361 VanDerWaalsContact CA-OE1 3.28Å; G318-E361 WeakPolarHBondContact CA-OE1 3.41Å; G318-E361 PolarHBondContact N-OE1 2.75Å; G318-E361 PolarHBondContact N-OE2 2.6Å; T319-E361 PolarHBondContact N-OE1 3.05Å; R320-E361 HydrophobicContact CB-CB 3.99Å; R320-E361 HydrophobicContact CB-CG 3.82Å; R320-E361 WeakPolarHBondContact CB-OE1 3.31Å; R320-E361 HydrophobicContact CG-CG 4.49Å; R320-E361 PolarHBondContact N-OE1 3.43Å; G357-E361 WeakPolarHBondContact CA-OE2 3.44Å; T358-E361 PolarHBondContact N-OE2 3.24Å; T358-E361 PolarHBondContact O-N 3.1Å; T358-E361 VanDerWaalsContact OG1-CG 3.32Å; T358-E361 WeakPolarHBondContact OG1-CG 3.18Å; T358-E361 PolarHBondContact OG1-N 3.26Å; T358-E361 PolarHBondContact OG1-OE2 3.49Å; E359-E361 PolarHBondContact O-N 2.87Å; E361-E363 VanDerWaalsContact C-N 3.33Å; E361-G364 CarbonylContact O-C 3.49Å; E361-G364 VanDerWaalsContact O-CA 3.31Å; E361-G364 WeakPolarHBondContact O-CA 3Å; E361-G364 PolarHBondContact O-N 2.92Å; E361-D365 PolarHBondContact O-N 3.2Å
362D97.9Very high97.2Very high34 Ų3455.6 Ų55.618%0.18227%0.267CS..Hα-helixtrans-68.3-34.5176.9-72-4.9000111.2H355 T356 G357 T358 E359 G364 D365 D366H355-D362 VanDerWaalsContact CA-OD1 3.27Å; H355-D362 WeakPolarHBondContact CA-OD1 3.31Å; H355-D362 PolarHBondContact NE2-O 3.31Å; T356-D362 PolarHBondContact N-OD1 2.95Å; G357-D362 WeakPolarHBondContact CA-OD1 3.49Å; G357-D362 PolarHBondContact N-OD1 3.49Å; T358-D362 WeakPolarHBondContact O-CB 3.38Å; T358-D362 PolarHBondContact O-N 2.91Å; E359-D362 PolarHBondContact O-N 3.49Å; D362-G364 VanDerWaalsContact C-N 3.26Å; D362-G364 PolarHBondContact O-N 3.49Å; D362-D365 WeakPolarHBondContact O-CB 3.3Å; D362-D365 PolarHBondContact O-N 3.19Å; D362-D366 PolarHBondContact O-N 3.13Å
363E98.3Very high97.2Very high98 Ų9858 Ų5846%0.45829%0.285SS..Hα-helixtrans-62.9-33.1166.6-74.4-175.117300112.5T323 E359 E361 D366 L367T323-E363 HydrophobicContact CG2-CB 3.63Å; E359-E363 WeakPolarHBondContact O-CG 3.45Å; E359-E363 PolarHBondContact O-N 3.2Å; E361-E363 VanDerWaalsContact C-N 3.33Å; E363-D366 WeakPolarHBondContact O-CB 3.41Å; E363-D366 PolarHBondContact O-N 2.96Å; E363-L367 WeakPolarHBondContact O-CB 3.44Å; E363-L367 PolarHBondContact O-N 2.71Å
364G97.9Very high97.2Very high0 Ų059.6 Ų59.60%029%0.293CS..Hα-helixtrans-65.1-46.2171.800000112.2E360 E361 D362 D366 L367 L368E360-G364 PolarHBondContact O-N 3.37Å; E361-G364 CarbonylContact O-C 3.49Å; E361-G364 VanDerWaalsContact O-CA 3.31Å; E361-G364 WeakPolarHBondContact O-CA 3Å; E361-G364 PolarHBondContact O-N 2.92Å; D362-G364 VanDerWaalsContact C-N 3.26Å; D362-G364 PolarHBondContact O-N 3.49Å; G364-D366 VanDerWaalsContact C-N 3.29Å; G364-D366 PolarHBondContact O-N 3.36Å; G364-L367 PolarHBondContact O-N 3.04Å; G364-L367 VanDerWaalsContact O-N 3.13Å; G364-L368 PolarHBondContact O-N 3.39Å
365D98Very high97.2Very high0 Ų057.6 Ų57.60%029%0.285CS..Hα-helixtrans-57-43.6173.7-75.1-9.1000111.3F313 R320 Y354 H355 E361 D362 L367 L368 L369F313-D365 HydrophobicContact CD1-CB 4.05Å; F313-D365 VanDerWaalsContact CD1-CG 3.44Å; F313-D365 WeakPolarHBondContact CD1-OD1 3.39Å; F313-D365 HydrophobicContact CE1-CB 3.78Å; R320-D365 IonicContact CZ-OD2 3.55Å; R320-D365 IonicContact NE-OD2 3.18Å; R320-D365 IonicContact NH2-OD1 2.75Å; R320-D365 PolarHBondContact NH2-OD1 2.98Å; R320-D365 IonicContact NH2-OD2 2.75Å; R320-D365 PolarHBondContact NH2-OD2 3.32Å; Y354-D365 HydrophobicContact CD2-CB 3.89Å; Y354-D365 HydrophobicContact CE2-CB 3.75Å; H355-D365 PolarHBondContact N-OD2 3.44Å; E361-D365 PolarHBondContact O-N 3.2Å; D362-D365 WeakPolarHBondContact O-CB 3.3Å; D362-D365 PolarHBondContact O-N 3.19Å; D365-L367 PolarHBondContact O-N 2.92Å; D365-L368 WeakPolarHBondContact O-CB 3.41Å; D365-L368 PolarHBondContact O-N 2.85Å; D365-L369 PolarHBondContact O-N 2.92Å; D365-L369 VanDerWaalsContact O-N 3.13Å
366D98.4Very high97.2Very high39 Ų3956 Ų5621%0.20928%0.276CS..Hα-helixtrans-60.6-43.3174.6-85.56.2000112.5Y354 H355 D362 E363 G364 L368 L369 R370Y354-D366 PolarHBondContact OH-OD1 3.29Å; H355-D366 IonicContact CD2-OD1 3.57Å; H355-D366 IonicContact CE1-OD1 2.71Å; H355-D366 PolarHBondContact CE1-OD1 2.97Å; H355-D366 IonicContact NE2-OD1 3.48Å; H355-D366 PolarHBondContact NE2-OD1 3.13Å; D362-D366 PolarHBondContact O-N 3.13Å; E363-D366 WeakPolarHBondContact O-CB 3.41Å; E363-D366 PolarHBondContact O-N 2.96Å; G364-D366 VanDerWaalsContact C-N 3.29Å; G364-D366 PolarHBondContact O-N 3.36Å; D366-L368 VanDerWaalsContact C-N 3.32Å; D366-L368 PolarHBondContact O-N 3.17Å; D366-L369 PolarHBondContact O-N 2.82Å; D366-R370 VanDerWaalsContact O-CG 3.3Å; D366-R370 WeakPolarHBondContact O-CG 3.25Å; D366-R370 PolarHBondContact O-N 2.9Å; D366-R370 IonicContact OD2-NH2 3.58Å; D366-R370 PolarHBondContact OD2-NH2 3.37Å
367L98.4Very high97.4Very high38 Ų3853 Ų5320%0.19926%0.257CS..Hα-helixtrans-66-36.1179.8-176.257.4000111.8T323 V326 E363 G364 D365 R370 S371T323-L367 HydrophobicContact CG2-CD2 4.44Å; V326-L367 HydrophobicContact CB-CD2 4Å; V326-L367 HydrophobicContact CB-CG 4.29Å; V326-L367 HydrophobicContact CG1-CB 4.19Å; V326-L367 HydrophobicContact CG1-CD2 3.96Å; V326-L367 HydrophobicContact CG1-CG 3.77Å; E363-L367 WeakPolarHBondContact O-CB 3.44Å; E363-L367 PolarHBondContact O-N 2.71Å; G364-L367 PolarHBondContact O-N 3.04Å; G364-L367 VanDerWaalsContact O-N 3.13Å; D365-L367 PolarHBondContact O-N 2.92Å; L367-R370 PolarHBondContact O-N 2.88Å; L367-S371 WeakPolarHBondContact O-CB 3.34Å; L367-S371 PolarHBondContact O-N 3.17Å; L367-S371 VanDerWaalsContact O-N 3.13Å; L367-S371 PolarHBondContact O-OG 3.38Å
368L98.1Very high97.6Very high0 Ų052.2 Ų52.20%025%0.248CC..Hα-helixtrans-60-46171.4-75.1168000111.2I312 M321 V326 L329 L347 G364 D365 D366 S371 V372 F375I312-L368 HydrophobicContact CG2-CD1 4.36Å; M321-L368 HydrophobicContact CE-CD1 3.77Å; M321-L368 HydrophobicContact CE-CD2 4.43Å; V326-L368 HydrophobicContact CB-CD2 4.5Å; V326-L368 HydrophobicContact CG1-CD2 3.73Å; V326-L368 HydrophobicContact CG1-CG 3.93Å; V326-L368 HydrophobicContact CG2-CD1 4.22Å; V326-L368 HydrophobicContact CG2-CD2 4.02Å; V326-L368 HydrophobicContact CG2-CG 3.71Å; L329-L368 HydrophobicContact CD2-CD2 4.41Å; L347-L368 HydrophobicContact CD2-CD2 4.09Å; G364-L368 PolarHBondContact O-N 3.39Å; D365-L368 WeakPolarHBondContact O-CB 3.41Å; D365-L368 PolarHBondContact O-N 2.85Å; D366-L368 VanDerWaalsContact C-N 3.32Å; D366-L368 PolarHBondContact O-N 3.17Å; L368-S371 CarbonylContact O-C 3.54Å; L368-S371 PolarHBondContact O-N 2.66Å; L368-S371 VanDerWaalsContact O-N 3.09Å; L368-V372 PolarHBondContact O-N 2.91Å; L368-F375 HydrophobicContact CD2-CE2 4.21Å
369L98Very high97.7Very high21 Ų2150.5 Ų50.511%0.1124%0.238CC..Hα-helixtrans-70.6-31179.9-67.5-176.6000113.2F313 Y354 D365 D366 S371 V372 W377 F406 H410 I412F313-L369 HydrophobicContact CE2-CD2 4.43Å; F313-L369 HydrophobicContact CZ-CD1 4.34Å; F313-L369 HydrophobicContact CZ-CD2 3.85Å; F313-L369 HydrophobicContact CZ-CG 4.02Å; Y354-L369 HydrophobicContact CD2-CD1 4Å; Y354-L369 HydrophobicContact CE1-CD1 4.46Å; Y354-L369 HydrophobicContact CE2-CD1 3.39Å; Y354-L369 HydrophobicContact CE2-CG 4.36Å; D365-L369 PolarHBondContact O-N 2.92Å; D365-L369 VanDerWaalsContact O-N 3.13Å; D366-L369 PolarHBondContact O-N 2.82Å; L369-S371 PolarHBondContact O-N 3.28Å; L369-V372 HydrophobicContact CD2-CG2 4.27Å; L369-V372 WeakPolarHBondContact O-CG2 3.35Å; L369-W377 HydrophobicContact CD2-CH2 4.43Å; L369-F406 HydrophobicContact CD1-CZ 4.4Å; L369-H410 HydrophobicContact CD1-CB 4.12Å; L369-H410 HydrophobicContact CD2-CB 4.19Å; L369-I412 HydrophobicContact CD2-CD1 3.83Å; L369-I412 HydrophobicContact CD2-CG1 4.15Å
370R97.8Very high97.8Very high192 Ų19243.1 Ų43.173%0.72520%0.204SC*.Hα-helixtrans-68.6-19.8170-69.5174.7-155.6170.310.1112.7D366 L367D366-R370 VanDerWaalsContact O-CG 3.3Å; D366-R370 WeakPolarHBondContact O-CG 3.25Å; D366-R370 PolarHBondContact O-N 2.9Å; D366-R370 IonicContact OD2-NH2 3.58Å; D366-R370 PolarHBondContact OD2-NH2 3.37Å; L367-R370 PolarHBondContact O-N 2.88Å
371S97.7Very high97.8Very high19 Ų1937 Ų3713%0.13318%0.175CC..THydrogen-bonded Turntrans-108.623.9-177.3-48.40000112.8L367 L368 L369 D373 E374 F375L367-S371 WeakPolarHBondContact O-CB 3.34Å; L367-S371 PolarHBondContact O-N 3.17Å; L367-S371 VanDerWaalsContact O-N 3.13Å; L367-S371 PolarHBondContact O-OG 3.38Å; L368-S371 CarbonylContact O-C 3.54Å; L368-S371 PolarHBondContact O-N 2.66Å; L368-S371 VanDerWaalsContact O-N 3.09Å; L369-S371 PolarHBondContact O-N 3.28Å; S371-D373 VanDerWaalsContact C-N 3.27Å; S371-D373 PolarHBondContact O-N 3.07Å; S371-E374 WeakPolarHBondContact O-CB 3.37Å; S371-E374 PolarHBondContact O-N 2.87Å; S371-F375 WeakPolarHBondContact O-CD2 3.42Å
372V97.2Very high97.8Very high10 Ų1039.2 Ų39.26%0.06118%0.183CC..G310 helixtrans-53.4-41.5-174.3159.80000113.2L368 L369 E374 F375 W377 I412L368-V372 PolarHBondContact O-N 2.91Å; L369-V372 HydrophobicContact CD2-CG2 4.27Å; L369-V372 WeakPolarHBondContact O-CG2 3.35Å; V372-E374 PolarHBondContact O-N 3.34Å; V372-F375 PolarHBondContact O-N 3.43Å; V372-W377 HydrophobicContact CG2-CZ2 3.95Å; V372-W377 PolarHBondContact O-NE1 2.88Å; V372-I412 HydrophobicContact CG2-CG1 4.1Å
373D96.4Very high97.7Very high155 Ų15538.3 Ų38.383%0.82918%0.18SC*.G310 helixtrans-70.2-13.8-176.8-66.2-38.6000113.7S371 F375S371-D373 VanDerWaalsContact C-N 3.27Å; S371-D373 PolarHBondContact O-N 3.07Å; D373-F375 VanDerWaalsContact C-N 3.35Å
374E97.1Very high97.6Very high85 Ų8535.2 Ų35.240%0.39717%0.165SC..G310 helixtrans-82-14.8177.6-68.1-62.8152.200113.1L330 Q333 R337 S371 V372L330-E374 HydrophobicContact CD2-CB 3.74Å; L330-E374 HydrophobicContact CD2-CG 4Å; Q333-E374 PolarHBondContact NE2-O 3.23Å; R337-E374 IonicContact NH1-OE2 3.7Å; R337-E374 PolarHBondContact NH1-OE2 2.72Å; R337-E374 IonicContact NH2-OE2 2.99Å; S371-E374 WeakPolarHBondContact O-CB 3.37Å; S371-E374 PolarHBondContact O-N 2.87Å; V372-E374 PolarHBondContact O-N 3.34Å
375F97.9Very high97.5Very high7 Ų739 Ų393%0.03118%0.184CC..SBendtrans-122.1160.3-173.5-60.6-68.1000112.6L329 L330 F345 L347 L368 S371 V372 D373 W377L329-F375 HydrophobicContact CD2-CE1 3.95Å; L329-F375 HydrophobicContact CD2-CZ 3.84Å; L329-F375 HydrophobicContact CG-CE1 4.02Å; L329-F375 HydrophobicContact CG-CZ 4.07Å; L330-F375 HydrophobicContact CD2-CE1 4.25Å; L330-F375 HydrophobicContact CD2-CE2 3.74Å; L330-F375 HydrophobicContact CD2-CZ 3.44Å; L330-F375 VanDerWaalsContact CD2-CZ 3.44Å; L330-F375 HydrophobicContact CG-CE2 4.43Å; L330-F375 HydrophobicContact CG-CZ 3.98Å; F345-F375 HydrophobicContact CB-CD1 4.05Å; F345-F375 HydrophobicContact CB-CE1 4.33Å; F345-F375 HydrophobicContact CD2-CE1 4.48Å; L347-F375 HydrophobicContact CD1-CB 4.1Å; L347-F375 HydrophobicContact CD1-CD1 3.79Å; L347-F375 HydrophobicContact CD1-CE1 4.44Å; L347-F375 HydrophobicContact CD1-CG 4.01Å; L347-F375 HydrophobicContact CD2-CB 4.22Å; L347-F375 HydrophobicContact CD2-CD1 4.36Å; L347-F375 HydrophobicContact CD2-CD2 4.05Å; L347-F375 HydrophobicContact CD2-CG 3.95Å; L368-F375 HydrophobicContact CD2-CE2 4.21Å; S371-F375 WeakPolarHBondContact O-CD2 3.42Å; V372-F375 PolarHBondContact O-N 3.43Å; D373-F375 VanDerWaalsContact C-N 3.35Å; F375-W377 HydrophobicContact CD2-CZ2 4.48Å
376W98.3Very high97.4Very high46 Ų4641.1 Ų41.117%0.17419%0.194CC..EExtended strand (participates in β ladder)trans-91.1153.4160-66.7-17.6000109.8L306 T344 F345 N346 L347 M416 T551 L552 P553L306-W376 HydrophobicContact CD1-CE3 4.08Å; L306-W376 HydrophobicContact CD1-CZ3 3.94Å; T344-W376 HydrophobicContact CG2-CB 4.32Å; T344-W376 HydrophobicContact CG2-CD2 3.86Å; T344-W376 HydrophobicContact CG2-CE3 4.45Å; T344-W376 HydrophobicContact CG2-CG 3.79Å; F345-W376 PolarHBondContact O-N 2.89Å; N346-W376 CarbonylContact C-O 3.56Å; N346-W376 WeakPolarHBondContact CA-O 3.42Å; N346-W376 HydrophobicContact CB-CB 4.23Å; N346-W376 WeakPolarHBondContact OD1-CB 3.32Å; L347-W376 PolarHBondContact N-O 3.45Å; W376-M416 HydrophobicContact CB-CE 3.92Å; W376-M416 HydrophobicContact CD2-CE 4.17Å; W376-M416 HydrophobicContact CG-CE 3.64Å; W376-T551 HydrophobicContact CH2-CG2 3.83Å; W376-T551 HydrophobicContact CZ3-CG2 3.66Å; W376-L552 VanDerWaalsContact CH2-C 3.49Å; W376-L552 WeakPolarHBondContact CZ3-O 3.4Å; W376-P553 HydrophobicContact CH2-CB 4.19Å; W376-P553 HydrophobicContact CH2-CG 3.82Å; W376-P553 VanDerWaalsContact CH2-N 3.28Å; W376-P553 HydrophobicContact CZ2-CB 4.29Å; W376-P553 HydrophobicContact CZ2-CG 3.75Å
377W98.4Very high97.3Very high3 Ų339.3 Ų39.31%0.01118%0.184CC..EExtended strand (participates in β ladder)trans-132.9144.8-175-64.585.2000111.2I312 L347 F349 L369 V372 F375 I412I312-W377 HydrophobicContact CG2-CZ3 4.17Å; L347-W377 HydrophobicContact CB-CD2 4.08Å; L347-W377 HydrophobicContact CB-CE3 3.78Å; L347-W377 HydrophobicContact CB-CH2 4.45Å; L347-W377 HydrophobicContact CB-CZ3 3.99Å; L347-W377 HydrophobicContact CD2-CH2 3.78Å; L347-W377 HydrophobicContact CD2-CZ2 3.95Å; L347-W377 HydrophobicContact CD2-CZ3 4.12Å; L347-W377 CarbonylContact O-C 3.55Å; L347-W377 WeakPolarHBondContact O-CA 3.22Å; F349-W377 HydrophobicContact CB-CE3 4.31Å; F349-W377 HydrophobicContact CB-CZ3 4.22Å; F349-W377 AromaticContact CD1-CE3 3.92Å; F349-W377 HydrophobicContact CD1-CE3 3.92Å; F349-W377 HydrophobicContact CG-CE3 4.35Å; L369-W377 HydrophobicContact CD2-CH2 4.43Å; V372-W377 HydrophobicContact CG2-CZ2 3.95Å; V372-W377 PolarHBondContact O-NE1 2.88Å; F375-W377 HydrophobicContact CD2-CZ2 4.48Å; W377-I412 HydrophobicContact CB-CG2 3.56Å; W377-I412 HydrophobicContact CD2-CG2 3.86Å; W377-I412 HydrophobicContact CE3-CD1 4.19Å; W377-I412 HydrophobicContact CE3-CG2 4.11Å; W377-I412 HydrophobicContact CG-CG2 3.63Å; W377-I412 HydrophobicContact CZ3-CD1 4.19Å
378F98.5Very high97.1Very high2 Ų238 Ų381%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-141.2148.1170.363.1-90000111.9D308 D310 N346 L347 G348 F349 Y418 V420D308-F378 HydrophobicContact CB-CE1 4.16Å; D308-F378 HydrophobicContact CB-CZ 4.19Å; D310-F378 VanDerWaalsContact OD1-CZ 3.23Å; D310-F378 WeakPolarHBondContact OD1-CZ 3.33Å; N346-F378 HydrophobicContact CB-CD1 4.45Å; N346-F378 HydrophobicContact CB-CE1 4.3Å; N346-F378 VanDerWaalsContact CG-CD1 3.49Å; N346-F378 WeakPolarHBondContact ND2-CD1 3.37Å; N346-F378 WeakPolarHBondContact O-CE1 3.11Å; N346-F378 WeakPolarHBondContact OD1-CD1 3.47Å; L347-F378 PolarHBondContact O-N 3.04Å; G348-F378 WeakPolarHBondContact CA-O 3.23Å; F349-F378 WeakPolarHBondContact CD1-O 3.19Å; F349-F378 WeakPolarHBondContact CE1-O 3.46Å; F349-F378 PolarHBondContact N-O 2.9Å; F349-F378 VanDerWaalsContact N-O 3.11Å; F378-Y418 HydrophobicContact CB-CD1 3.75Å; F378-Y418 HydrophobicContact CB-CE1 4.34Å; F378-Y418 WeakPolarHBondContact CB-O 3.46Å; F378-Y418 AromaticContact CD1-CD1 3.96Å; F378-Y418 HydrophobicContact CD1-CD1 3.96Å; F378-Y418 AromaticContact CD1-CE1 3.87Å; F378-Y418 HydrophobicContact CD1-CE1 3.87Å; F378-Y418 HydrophobicContact CD2-CE1 4.42Å; F378-Y418 HydrophobicContact CE1-CE1 4.19Å; F378-Y418 AromaticContact CG-CD1 3.88Å; F378-Y418 HydrophobicContact CG-CD1 3.88Å; F378-Y418 AromaticContact CG-CE1 3.97Å; F378-Y418 HydrophobicContact CG-CE1 3.97Å; F378-V420 HydrophobicContact CD2-CB 4.19Å; F378-V420 HydrophobicContact CD2-CG2 4.07Å; F378-V420 HydrophobicContact CE2-CB 3.78Å; F378-V420 HydrophobicContact CE2-CG2 3.71Å; F378-V420 HydrophobicContact CZ-CG2 4.24Å
379P98.3Very high96.9Very high11 Ų1141.7 Ų41.77%0.07120%0.196CC..EExtended strand (participates in β ladder)trans-72.4138.2177.930.8-35.3000111.1Y418 A419 W442P379-Y418 WeakPolarHBondContact CD-O 3.42Å; P379-A419 HydrophobicContact CG-CB 3.82Å; P379-W442 HydrophobicContact CB-CD2 4.01Å; P379-W442 HydrophobicContact CB-CE3 4.29Å; P379-W442 HydrophobicContact CB-CH2 3.85Å; P379-W442 HydrophobicContact CB-CZ2 3.55Å; P379-W442 HydrophobicContact CB-CZ3 4.21Å; P379-W442 HydrophobicContact CG-CD2 3.71Å; P379-W442 HydrophobicContact CG-CE3 3.96Å; P379-W442 HydrophobicContact CG-CG 4.08Å; P379-W442 HydrophobicContact CG-CH2 4.41Å; P379-W442 HydrophobicContact CG-CZ2 4.21Å; P379-W442 HydrophobicContact CG-CZ3 4.29Å
380H97.7Very high96.5Very high3 Ų341.7 Ų41.71%0.01420%0.195CC..  trans-122.233.1176.9-154.648.5000113.2D311 F349 S350 H384 V420 A421 P422D311-H380 IonicContact OD1-CD2 2.69Å; D311-H380 PolarHBondContact OD1-CD2 3.31Å; D311-H380 IonicContact OD1-NE2 3Å; D311-H380 PolarHBondContact OD1-NE2 3.07Å; F349-H380 WeakPolarHBondContact O-CB 3.46Å; F349-H380 PolarHBondContact O-N 2.86Å; S350-H380 PolarHBondContact OG-O 3.41Å; H380-H384 AromaticContact CD2-CD2 3.42Å; H380-H384 PolarHBondContact CD2-CD2 2.91Å; H380-H384 VanDerWaalsContact CD2-CD2 3.42Å; H380-H384 AromaticContact CD2-NE2 3.65Å; H380-H384 AromaticContact NE2-CD2 3.68Å; H380-H384 AromaticContact NE2-NE2 3.42Å; H380-H384 PolarHBondContact NE2-NE2 3.04Å; H380-V420 PolarHBondContact ND1-O 3.31Å; H380-A421 VanDerWaalsContact CE1-C 3.49Å; H380-P422 VanDerWaalsContact O-CG 3.3Å; H380-P422 WeakPolarHBondContact O-CG 3.47Å
381M96.6Very high95.8Very high5 Ų538.3 Ų38.33%0.02519%0.187CC..  trans68.3151.8-172.4-58.2-69.2-72.200113.8S350 F390 L396 Q399 M400 P422S350-M381 VanDerWaalsContact CA-O 3.3Å; S350-M381 WeakPolarHBondContact CA-O 3.25Å; S350-M381 WeakPolarHBondContact CB-O 3.44Å; S350-M381 PolarHBondContact OG-O 3.06Å; M381-F390 HydrophobicContact CE-CE2 4.4Å; M381-L396 HydrophobicContact CE-CD2 3.7Å; M381-Q399 HydrophobicContact CE-CB 4.08Å; M381-M400 HydrophobicContact CE-CE 4.34Å; M381-M400 HydrophobicContact CE-CG 4.42Å; M381-M400 HydrophobicContact SD-CE 3.67Å; M381-M400 HydrophobicContact SD-CG 3.86Å; M381-P422 HydrophobicContact CB-CG 4.04Å; M381-P422 VanDerWaalsContact CG-CD 3.5Å; M381-P422 HydrophobicContact CG-CG 3.92Å
382W97.6Very high95.2Very high56 Ų5640.9 Ų40.921%0.21220%0.2CC..THydrogen-bonded Turntrans-63.6-56.4-178.7172.6-115.6000113K352 Q399 L402 N403 F406K352-W382 HydrophobicContact CB-CD2 3.76Å; K352-W382 HydrophobicContact CB-CE3 4.21Å; K352-W382 HydrophobicContact CB-CG 4.18Å; K352-W382 HydrophobicContact CB-CH2 4.3Å; K352-W382 HydrophobicContact CB-CZ2 3.85Å; K352-W382 HydrophobicContact CB-CZ3 4.47Å; K352-W382 WeakPolarHBondContact CB-O 3.43Å; K352-W382 HydrophobicContact CG-CZ2 4.21Å; K352-W382 VanDerWaalsContact N-CE3 3.31Å; K352-W382 PolarHBondContact N-O 2.97Å; W382-Q399 HydrophobicContact CB-CB 4.44Å; W382-Q399 WeakPolarHBondContact CB-O 3.44Å; W382-L402 HydrophobicContact CB-CB 4.13Å; W382-L402 HydrophobicContact CD2-CB 3.76Å; W382-L402 HydrophobicContact CE3-CB 4.22Å; W382-L402 HydrophobicContact CG-CB 3.72Å; W382-L402 HydrophobicContact CG-CD1 4.21Å; W382-N403 HydrophobicContact CB-CB 3.99Å; W382-N403 HydrophobicContact CE3-CB 4.28Å; W382-F406 HydrophobicContact CZ3-CB 3.76Å; W382-F406 HydrophobicContact CZ3-CD2 4.19Å; W382-F406 HydrophobicContact CZ3-CG 4.1Å
383S95.6Very high94.9Very high15 Ų1543.6 Ų43.611%0.10521%0.212CC..THydrogen-bonded Turntrans-94.715.9-176.2-55.30000113.9K352 M385 Q399K352-S383 VanDerWaalsContact CD-OG 3.28Å; K352-S383 WeakPolarHBondContact CD-OG 3.28Å; K352-S383 PolarHBondContact NZ-OG 3.24Å; S383-M385 PolarHBondContact O-N 2.89Å; S383-Q399 PolarHBondContact OG-OE1 3.2Å
384H96.3Very high94.9Very high33 Ų3340.5 Ų40.515%0.15320%0.198CC..  trans52.227.4-172.4-168.1-109.5000113.7D311 V314 F353 H380D311-H384 IonicContact OD1-CD2 3.87Å; D311-H384 PolarHBondContact OD1-CD2 3.13Å; D311-H384 IonicContact OD1-CE1 3.99Å; D311-H384 IonicContact OD1-NE2 3.67Å; D311-H384 PolarHBondContact OD1-NE2 2.92Å; V314-H384 HydrophobicContact CG1-CB 4.18Å; V314-H384 HydrophobicContact CG2-CB 4.07Å; F353-H384 HydrophobicContact CE2-CB 3.78Å; F353-H384 HydrophobicContact CZ-CB 4.37Å; H380-H384 AromaticContact CD2-CD2 3.42Å; H380-H384 PolarHBondContact CD2-CD2 2.91Å; H380-H384 VanDerWaalsContact CD2-CD2 3.42Å; H380-H384 AromaticContact CD2-NE2 3.65Å; H380-H384 AromaticContact NE2-CD2 3.68Å; H380-H384 AromaticContact NE2-NE2 3.42Å; H380-H384 PolarHBondContact NE2-NE2 3.04Å
385M95.5Very high94.7Very high79 Ų7938.2 Ų38.239%0.38919%0.192SC..  trans-85139.2-178.2-75-174.371.400111.6S383 F390S383-M385 PolarHBondContact O-N 2.89Å; M385-F390 HydrophobicContact CB-CE2 3.68Å; M385-F390 HydrophobicContact CB-CZ 3.67Å; M385-F390 HydrophobicContact CE-CE2 4.49Å; M385-F390 HydrophobicContact CE-CZ 4.08Å; M385-F390 HydrophobicContact CG-CZ 4.45Å; M385-F390 HydrophobicContact SD-CZ 4Å
386Q96.2Very high94.5Very high45 Ų4537.9 Ų37.921%0.2119%0.19CC..  trans-69.6129.2-178.8-63.7179.343.900111.1H388 L389 F390 P422 H423Q386-H388 VanDerWaalsContact C-N 3.28Å; Q386-H388 PolarHBondContact O-N 3.07Å; Q386-H388 VanDerWaalsContact O-N 3.16Å; Q386-H388 PolarHBondContact OE1-CE1 2.76Å; Q386-L389 HydrophobicContact CB-CD1 4.15Å; Q386-L389 HydrophobicContact CB-CG 4.28Å; Q386-L389 WeakPolarHBondContact O-CB 3.23Å; Q386-L389 PolarHBondContact O-N 2.8Å; Q386-L389 VanDerWaalsContact O-N 3.14Å; Q386-F390 WeakPolarHBondContact O-CD2 3.35Å; Q386-P422 HydrophobicContact CG-CB 4.4Å; Q386-H423 VanDerWaalsContact CD-CD2 3.47Å; Q386-H423 HydrophobicContact CG-CB 4.17Å; Q386-H423 PolarHBondContact NE2-CD2 3.35Å; Q386-H423 PolarHBondContact NE2-NE2 2.91Å
387P95.4Very high94.5Very high0 Ų036.3 Ų36.30%019%0.186CC..G310 helixtrans-57.6-31.9-174.5-33.337.8000116.3L389 F390 L396 A421 S425 L434P387-L389 PolarHBondContact O-N 2.79Å; P387-F390 PolarHBondContact O-N 3.4Å; P387-F390 VanDerWaalsContact O-N 3.16Å; P387-L396 HydrophobicContact CB-CD2 4.15Å; P387-A421 HydrophobicContact CG-CB 3.76Å; P387-S425 WeakPolarHBondContact CD-O 3.45Å; P387-S425 WeakPolarHBondContact CD-OG 3.29Å; P387-S425 WeakPolarHBondContact CG-O 3.5Å; P387-L434 HydrophobicContact CB-CB 4.29Å; P387-L434 HydrophobicContact CB-CD1 3.94Å; P387-L434 HydrophobicContact CB-CD2 4.05Å; P387-L434 HydrophobicContact CB-CG 4.32Å; P387-L434 HydrophobicContact CG-CD1 3.69Å; P387-L434 HydrophobicContact CG-CD2 3.94Å; P387-L434 HydrophobicContact CG-CG 4.35Å
388H93.9Very high94.4Very high12 Ų1241.2 Ų41.26%0.05621%0.209CC..G310 helixtrans-69.7-12.3-177.975.5-91.6000113.8Q386 F390 S425 I585 W586Q386-H388 VanDerWaalsContact C-N 3.28Å; Q386-H388 PolarHBondContact O-N 3.07Å; Q386-H388 VanDerWaalsContact O-N 3.16Å; Q386-H388 PolarHBondContact OE1-CE1 2.76Å; H388-F390 VanDerWaalsContact C-N 3.28Å; H388-S425 PolarHBondContact N-OG 3.29Å; H388-S425 VanDerWaalsContact N-OG 3.13Å; H388-S425 WeakPolarHBondContact ND1-CB 3.38Å; H388-S425 PolarHBondContact ND1-OG 2.82Å; H388-I585 WeakPolarHBondContact CB-O 3.43Å; H388-I585 PolarHBondContact ND1-O 3.34Å; H388-W586 PolarHBondContact CD2-O 3.11Å
389L93.8Very high94.3Very high77 Ų7742.9 Ų42.940%0.40322%0.216SC..G310 helixtrans-81.1-9.1175.5-60.7177.2000112.8Q386 P387Q386-L389 HydrophobicContact CB-CD1 4.15Å; Q386-L389 HydrophobicContact CB-CG 4.28Å; Q386-L389 WeakPolarHBondContact O-CB 3.23Å; Q386-L389 PolarHBondContact O-N 2.8Å; Q386-L389 VanDerWaalsContact O-N 3.14Å; P387-L389 PolarHBondContact O-N 2.79Å
390F91.1Very high94.3Very high21 Ų2142.4 Ų42.49%0.09221%0.213CC..  trans-94.8130177.6-62.9-92.6000110.2M381 M385 Q386 P387 H388 L396 Q399M381-F390 HydrophobicContact CE-CE2 4.4Å; M385-F390 HydrophobicContact CB-CE2 3.68Å; M385-F390 HydrophobicContact CB-CZ 3.67Å; M385-F390 HydrophobicContact CE-CE2 4.49Å; M385-F390 HydrophobicContact CE-CZ 4.08Å; M385-F390 HydrophobicContact CG-CZ 4.45Å; M385-F390 HydrophobicContact SD-CZ 4Å; Q386-F390 WeakPolarHBondContact O-CD2 3.35Å; P387-F390 PolarHBondContact O-N 3.4Å; P387-F390 VanDerWaalsContact O-N 3.16Å; H388-F390 VanDerWaalsContact C-N 3.28Å; F390-L396 HydrophobicContact CB-CD1 4.23Å; F390-L396 HydrophobicContact CB-CD2 3.9Å; F390-L396 HydrophobicContact CB-CG 3.67Å; F390-L396 HydrophobicContact CD1-CD2 4.34Å; F390-L396 HydrophobicContact CD1-CG 4.44Å; F390-L396 HydrophobicContact CD2-CD2 3.37Å; F390-L396 HydrophobicContact CD2-CG 4.12Å; F390-L396 HydrophobicContact CE2-CD2 3.9Å; F390-L396 HydrophobicContact CG-CD2 3.61Å; F390-L396 HydrophobicContact CG-CG 3.83Å; F390-Q399 HydrophobicContact CE1-CG 3.91Å; F390-Q399 HydrophobicContact CZ-CG 3.97Å
391H82.1Confident94.3Very high120 Ų12045.6 Ų45.656%0.55623%0.23SC*.SBendtrans-87.9-20-176.2-60.7-74.6000113.2E589H391-E589 IonicContact CE1-OE1 3.6Å; H391-E589 IonicContact CG-OE1 3.05Å; H391-E589 IonicContact ND1-OE1 3.58Å; H391-E589 PolarHBondContact ND1-OE1 3.39Å
392N84.6Confident94.4Very high74 Ų7448.7 Ų48.740%0.39625%0.246SC..SBendtrans-135.8154-179.368.560000111.8T394 S395N392-T394 VanDerWaalsContact C-N 3.28Å; N392-T394 PolarHBondContact O-N 2.77Å; N392-T394 WeakPolarHBondContact OD1-CB 3.47Å; N392-T394 PolarHBondContact OD1-N 3.26Å; N392-S395 PolarHBondContact OD1-N 3.27Å; N392-S395 PolarHBondContact OD1-OG 2.67Å; N392-S395 VanDerWaalsContact OD1-OG 3.08Å
393E92.3Very high94.5Very high67 Ų6746 Ų4631%0.31324%0.236SC..Hα-helixtrans-63.1-35.3178.6-174.3-168.3133.900111.9S395 L396 V397 Q433 A437 K440E393-S395 PolarHBondContact O-N 3.18Å; E393-L396 WeakPolarHBondContact O-CB 3.28Å; E393-L396 PolarHBondContact O-N 3.27Å; E393-V397 HydrophobicContact CG-CG2 4.14Å; E393-V397 WeakPolarHBondContact O-CG2 3.41Å; E393-V397 PolarHBondContact O-N 2.8Å; E393-Q433 HydrophobicContact CB-CB 4.24Å; E393-Q433 HydrophobicContact CB-CG 4.31Å; E393-A437 HydrophobicContact CG-CB 4.46Å; E393-K440 IonicContact OE1-NZ 2.71Å
394T94.9Very high94.6Very high89 Ų8948.1 Ų48.155%0.54624%0.243SC..Hα-helixtrans-57.8-47.4-176.2-51.80000112.1N392 L396 V397 E398N392-T394 VanDerWaalsContact C-N 3.28Å; N392-T394 PolarHBondContact O-N 2.77Å; N392-T394 WeakPolarHBondContact OD1-CB 3.47Å; N392-T394 PolarHBondContact OD1-N 3.26Å; T394-L396 PolarHBondContact O-N 3.06Å; T394-V397 WeakPolarHBondContact O-CB 3.46Å; T394-V397 PolarHBondContact O-N 2.86Å; T394-E398 WeakPolarHBondContact O-CG 3.37Å; T394-E398 PolarHBondContact O-N 2.72Å
395S93.4Very high94.7Very high37 Ų3752 Ų5226%0.25926%0.259SS..Hα-helixtrans-65.8-36.2179.2-600000112.6N392 E393 E398 Q399N392-S395 PolarHBondContact OD1-N 3.27Å; N392-S395 PolarHBondContact OD1-OG 2.67Å; N392-S395 VanDerWaalsContact OD1-OG 3.08Å; E393-S395 PolarHBondContact O-N 3.18Å; S395-E398 PolarHBondContact O-N 3.1Å; S395-Q399 WeakPolarHBondContact O-CG 3.31Å; S395-Q399 PolarHBondContact O-N 2.89Å; S395-Q399 VanDerWaalsContact O-N 3.15Å
396L94.8Very high94.9Very high0 Ų048.8 Ų48.80%024%0.243CC..Hα-helixtrans-62.9-45.4172.2-77.3169.3000110.9M381 P387 F390 E393 T394 E398 Q399 M400 Q433 A437M381-L396 HydrophobicContact CE-CD2 3.7Å; P387-L396 HydrophobicContact CB-CD2 4.15Å; F390-L396 HydrophobicContact CB-CD1 4.23Å; F390-L396 HydrophobicContact CB-CD2 3.9Å; F390-L396 HydrophobicContact CB-CG 3.67Å; F390-L396 HydrophobicContact CD1-CD2 4.34Å; F390-L396 HydrophobicContact CD1-CG 4.44Å; F390-L396 HydrophobicContact CD2-CD2 3.37Å; F390-L396 HydrophobicContact CD2-CG 4.12Å; F390-L396 HydrophobicContact CE2-CD2 3.9Å; F390-L396 HydrophobicContact CG-CD2 3.61Å; F390-L396 HydrophobicContact CG-CG 3.83Å; E393-L396 WeakPolarHBondContact O-CB 3.28Å; E393-L396 PolarHBondContact O-N 3.27Å; T394-L396 PolarHBondContact O-N 3.06Å; L396-E398 PolarHBondContact O-N 3.36Å; L396-Q399 PolarHBondContact O-N 2.8Å; L396-M400 VanDerWaalsContact O-CG 3.32Å; L396-M400 WeakPolarHBondContact O-CG 3.25Å; L396-M400 PolarHBondContact O-N 3.47Å; L396-Q433 HydrophobicContact CD1-CB 3.91Å; L396-A437 HydrophobicContact CB-CB 4.11Å
397V97.6Very high95Very high13 Ų1346.6 Ų46.68%0.07923%0.233CC..Hα-helixtrans-61.4-43.7178.8166.90000111E393 T394 M400 I401 A437 K440 V441E393-V397 HydrophobicContact CG-CG2 4.14Å; E393-V397 WeakPolarHBondContact O-CG2 3.41Å; E393-V397 PolarHBondContact O-N 2.8Å; T394-V397 WeakPolarHBondContact O-CB 3.46Å; T394-V397 PolarHBondContact O-N 2.86Å; V397-M400 PolarHBondContact O-N 2.9Å; V397-I401 HydrophobicContact CG1-CD1 3.62Å; V397-I401 HydrophobicContact CG1-CG1 4.27Å; V397-I401 WeakPolarHBondContact O-CB 3.39Å; V397-I401 VanDerWaalsContact O-CG1 3.27Å; V397-I401 WeakPolarHBondContact O-CG1 3.31Å; V397-I401 PolarHBondContact O-N 2.99Å; V397-A437 HydrophobicContact CG2-CB 3.72Å; V397-K440 HydrophobicContact CG2-CD 4.13Å; V397-V441 HydrophobicContact CB-CG2 4.3Å; V397-V441 HydrophobicContact CG1-CG2 3.82Å; V397-V441 HydrophobicContact CG2-CG2 4.23Å
398E96.5Very high95.1Very high107 Ų10752 Ų5250%0.526%0.261SS..Hα-helixtrans-59.4-47.7176.7-74.1170.2179.300112.1T394 S395 L396 M400 I401 L402T394-E398 WeakPolarHBondContact O-CG 3.37Å; T394-E398 PolarHBondContact O-N 2.72Å; S395-E398 PolarHBondContact O-N 3.1Å; L396-E398 PolarHBondContact O-N 3.36Å; E398-M400 VanDerWaalsContact C-N 3.31Å; E398-M400 PolarHBondContact O-N 3.08Å; E398-I401 PolarHBondContact O-N 2.65Å; E398-L402 WeakPolarHBondContact O-CG 3.45Å; E398-L402 PolarHBondContact O-N 2.98Å; E398-L402 VanDerWaalsContact O-N 3.08Å
399Q96.4Very high95.3Very high36 Ų3658.1 Ų58.117%0.16829%0.29CS..Hα-helixtrans-60.1-42175.3-69.4-62.7-63.400111.6M381 W382 S383 F390 S395 L396 L402 N403M381-Q399 HydrophobicContact CE-CB 4.08Å; W382-Q399 HydrophobicContact CB-CB 4.44Å; W382-Q399 WeakPolarHBondContact CB-O 3.44Å; S383-Q399 PolarHBondContact OG-OE1 3.2Å; F390-Q399 HydrophobicContact CE1-CG 3.91Å; F390-Q399 HydrophobicContact CZ-CG 3.97Å; S395-Q399 WeakPolarHBondContact O-CG 3.31Å; S395-Q399 PolarHBondContact O-N 2.89Å; S395-Q399 VanDerWaalsContact O-N 3.15Å; L396-Q399 PolarHBondContact O-N 2.8Å; Q399-L402 PolarHBondContact O-N 3.5Å; Q399-N403 PolarHBondContact O-N 3.35Å
400M97.7Very high95.5Very high1 Ų157.3 Ų57.31%0.00528%0.284CS..Hα-helixtrans-67.2-36.5178.2-72.2-177.5-166.600112.6M381 L396 V397 E398 N403 K404 L434 A437 W438 V441M381-M400 HydrophobicContact CE-CE 4.34Å; M381-M400 HydrophobicContact CE-CG 4.42Å; M381-M400 HydrophobicContact SD-CE 3.67Å; M381-M400 HydrophobicContact SD-CG 3.86Å; L396-M400 VanDerWaalsContact O-CG 3.32Å; L396-M400 WeakPolarHBondContact O-CG 3.25Å; L396-M400 PolarHBondContact O-N 3.47Å; V397-M400 PolarHBondContact O-N 2.9Å; E398-M400 VanDerWaalsContact C-N 3.31Å; E398-M400 PolarHBondContact O-N 3.08Å; M400-N403 PolarHBondContact O-N 3Å; M400-K404 WeakPolarHBondContact O-CB 3.4Å; M400-K404 PolarHBondContact O-N 3.46Å; M400-L434 HydrophobicContact CE-CD1 3.68Å; M400-A437 HydrophobicContact CE-CB 3.76Å; M400-A437 HydrophobicContact SD-CB 3.74Å; M400-W438 HydrophobicContact CE-CG 4.16Å; M400-V441 HydrophobicContact CB-CB 4.01Å; M400-V441 HydrophobicContact CB-CG1 3.79Å; M400-V441 HydrophobicContact CB-CG2 4.01Å; M400-V441 HydrophobicContact SD-CB 4.47Å
401I98.4Very high95.8Very high70 Ų7058.8 Ų58.836%0.35931%0.306SS..Hα-helixtrans-64.3-42.4176.7-73.5166.2000110.7V397 E398 K404 K405 V441V397-I401 HydrophobicContact CG1-CD1 3.62Å; V397-I401 HydrophobicContact CG1-CG1 4.27Å; V397-I401 WeakPolarHBondContact O-CB 3.39Å; V397-I401 VanDerWaalsContact O-CG1 3.27Å; V397-I401 WeakPolarHBondContact O-CG1 3.31Å; V397-I401 PolarHBondContact O-N 2.99Å; E398-I401 PolarHBondContact O-N 2.65Å; I401-K404 PolarHBondContact O-N 3.31Å; I401-K405 HydrophobicContact CG2-CD 4.37Å; I401-K405 HydrophobicContact CG2-CG 4.48Å; I401-K405 WeakPolarHBondContact O-CG 3.33Å; I401-K405 PolarHBondContact O-N 3.47Å; I401-V441 HydrophobicContact CG1-CG1 4.11Å; I401-V441 HydrophobicContact CG1-CG2 4.24Å
402L98.4Very high96.6Very high70 Ų7053.3 Ų53.337%0.36628%0.28SS..Hα-helixtrans-59.1-48.1176.1-68.6173.2000111.2W382 E398 Q399 K404 K405 F406W382-L402 HydrophobicContact CB-CB 4.13Å; W382-L402 HydrophobicContact CD2-CB 3.76Å; W382-L402 HydrophobicContact CE3-CB 4.22Å; W382-L402 HydrophobicContact CG-CB 3.72Å; W382-L402 HydrophobicContact CG-CD1 4.21Å; E398-L402 WeakPolarHBondContact O-CG 3.45Å; E398-L402 PolarHBondContact O-N 2.98Å; E398-L402 VanDerWaalsContact O-N 3.08Å; Q399-L402 PolarHBondContact O-N 3.5Å; L402-K404 VanDerWaalsContact C-N 3.26Å; L402-K404 PolarHBondContact O-N 3.34Å; L402-K405 PolarHBondContact O-N 3.24Å; L402-F406 PolarHBondContact O-N 3.29Å; L402-F406 VanDerWaalsContact O-N 3.09Å
403N98.5Very high97.1Very high0 Ų051.8 Ų51.80%028%0.275CS..Hα-helixtrans-64.1-33.4177.8-150.548.1000112.4F349 G351 W382 Q399 M400 A407 W442F349-N403 VanDerWaalsContact CE2-ND2 3.34Å; F349-N403 WeakPolarHBondContact CE2-ND2 3.32Å; F349-N403 PolarHBondContact O-ND2 3.34Å; F349-N403 VanDerWaalsContact O-ND2 3.14Å; G351-N403 PolarHBondContact N-OD1 3.21Å; W382-N403 HydrophobicContact CB-CB 3.99Å; W382-N403 HydrophobicContact CE3-CB 4.28Å; Q399-N403 PolarHBondContact O-N 3.35Å; M400-N403 PolarHBondContact O-N 3Å; N403-A407 PolarHBondContact O-N 3.01Å; N403-A407 VanDerWaalsContact O-N 3.1Å; N403-W442 HydrophobicContact CB-CZ2 4.13Å
404K98.6Very high97.3Very high60 Ų6050.3 Ų50.326%0.26127%0.27SS..Hα-helixtrans-70.5-37.9176.3-167173.4-175.1-179.40112.6M400 I401 L402 A407 L408 T414 V441 W442M400-K404 WeakPolarHBondContact O-CB 3.4Å; M400-K404 PolarHBondContact O-N 3.46Å; I401-K404 PolarHBondContact O-N 3.31Å; L402-K404 VanDerWaalsContact C-N 3.26Å; L402-K404 PolarHBondContact O-N 3.34Å; K404-A407 WeakPolarHBondContact O-CB 3.35Å; K404-A407 PolarHBondContact O-N 3.11Å; K404-L408 WeakPolarHBondContact O-CG 3.3Å; K404-L408 PolarHBondContact O-N 2.78Å; K404-T414 HydrophobicContact CG-CG2 4.29Å; K404-V441 HydrophobicContact CB-CG1 4.41Å; K404-V441 HydrophobicContact CD-CG1 4.02Å; K404-V441 WeakPolarHBondContact CD-O 3.46Å; K404-V441 PolarHBondContact NZ-O 3.08Å; K404-W442 VanDerWaalsContact CA-CZ2 3.46Å; K404-W442 HydrophobicContact CB-CH2 3.66Å; K404-W442 HydrophobicContact CB-CZ2 3.49Å; K404-W442 VanDerWaalsContact CB-CZ2 3.49Å; K404-W442 HydrophobicContact CB-CZ3 4.27Å; K404-W442 HydrophobicContact CD-CD2 4.46Å; K404-W442 HydrophobicContact CD-CE3 4.4Å; K404-W442 HydrophobicContact CG-CE3 4.33Å; K404-W442 HydrophobicContact CG-CH2 3.86Å; K404-W442 HydrophobicContact CG-CZ2 4.1Å; K404-W442 HydrophobicContact CG-CZ3 3.98Å
405K98.6Very high97.3Very high113 Ų11352 Ų5249%0.49128%0.276SS..Hα-helixtrans-61.8-48.4174.1-75.6178.7176.3-176.20111I401 L402 A407 L408 E409I401-K405 HydrophobicContact CG2-CD 4.37Å; I401-K405 HydrophobicContact CG2-CG 4.48Å; I401-K405 WeakPolarHBondContact O-CG 3.33Å; I401-K405 PolarHBondContact O-N 3.47Å; L402-K405 PolarHBondContact O-N 3.24Å; K405-A407 VanDerWaalsContact C-N 3.27Å; K405-A407 PolarHBondContact O-N 3.21Å; K405-L408 PolarHBondContact O-N 3.29Å; K405-L408 VanDerWaalsContact O-N 3.1Å; K405-E409 WeakPolarHBondContact O-CG 3.29Å; K405-E409 PolarHBondContact O-N 3.34Å
406F98.6Very high97.3Very high12 Ų1252.5 Ų52.55%0.05328%0.275CS..Hα-helixtrans-54-45.4174.3177.7-88.9000112F313 F349 Y354 L369 W382 L402 L408 E409 H410 I412F313-F406 HydrophobicContact CD2-CE1 4.42Å; F313-F406 HydrophobicContact CD2-CZ 4.48Å; F313-F406 AromaticContact CE2-CE1 3.9Å; F313-F406 HydrophobicContact CE2-CE1 3.9Å; F313-F406 HydrophobicContact CE2-CZ 4.07Å; F349-F406 HydrophobicContact CD2-CD1 4.17Å; F349-F406 HydrophobicContact CD2-CE1 4.38Å; F349-F406 HydrophobicContact CE2-CD1 4.11Å; Y354-F406 AromaticContact CD1-CE2 3.86Å; Y354-F406 HydrophobicContact CD1-CE2 3.86Å; Y354-F406 HydrophobicContact CD1-CZ 4.2Å; Y354-F406 HydrophobicContact CD2-CZ 4.27Å; Y354-F406 AromaticContact CG-CE2 3.86Å; Y354-F406 HydrophobicContact CG-CE2 3.86Å; Y354-F406 AromaticContact CG-CZ 3.82Å; Y354-F406 HydrophobicContact CG-CZ 3.82Å; L369-F406 HydrophobicContact CD1-CZ 4.4Å; W382-F406 HydrophobicContact CZ3-CB 3.76Å; W382-F406 HydrophobicContact CZ3-CD2 4.19Å; W382-F406 HydrophobicContact CZ3-CG 4.1Å; L402-F406 PolarHBondContact O-N 3.29Å; L402-F406 VanDerWaalsContact O-N 3.09Å; F406-L408 PolarHBondContact O-N 2.85Å; F406-E409 PolarHBondContact O-N 2.86Å; F406-H410 AromaticContact CD2-CE1 3.57Å; F406-H410 AromaticContact CD2-ND1 3.64Å; F406-H410 AromaticContact CE2-CE1 3.34Å; F406-H410 WeakPolarHBondContact CE2-CE1 3.15Å; F406-H410 AromaticContact CE2-ND1 3.56Å; F406-H410 AromaticContact CG-ND1 3.94Å; F406-H410 AromaticContact CZ-CE1 3.92Å; F406-H410 AromaticContact CZ-ND1 3.78Å; F406-H410 PolarHBondContact O-N 2.75Å; F406-H410 VanDerWaalsContact O-N 3.12Å; F406-H410 PolarHBondContact O-ND1 3.38Å; F406-I412 HydrophobicContact CD1-CD1 4.43Å; F406-I412 HydrophobicContact CE1-CD1 4.08Å
407A98.5Very high97.4Very high0 Ų052.7 Ų52.70%028%0.277CS..Hα-helixtrans-59.4-45.6177.300000112.6F349 N403 K404 K405 H410 G411 I412 T414 W442F349-A407 HydrophobicContact CE2-CB 4.08Å; F349-A407 HydrophobicContact CZ-CB 3.73Å; N403-A407 PolarHBondContact O-N 3.01Å; N403-A407 VanDerWaalsContact O-N 3.1Å; K404-A407 WeakPolarHBondContact O-CB 3.35Å; K404-A407 PolarHBondContact O-N 3.11Å; K405-A407 VanDerWaalsContact C-N 3.27Å; K405-A407 PolarHBondContact O-N 3.21Å; A407-H410 CarbonylContact O-C 3.55Å; A407-H410 PolarHBondContact O-N 2.87Å; A407-G411 PolarHBondContact O-N 2.98Å; A407-I412 HydrophobicContact CB-CB 3.93Å; A407-I412 HydrophobicContact CB-CG2 4.32Å; A407-I412 PolarHBondContact O-N 3.35Å; A407-T414 HydrophobicContact CB-CG2 3.81Å; A407-W442 HydrophobicContact CB-CH2 4.18Å
408L98.3Very high97.5Very high112 Ų11252.2 Ų52.259%0.58627%0.273SS*.Hα-helixtrans-65.2-39.6178.3-68.4169.3000112.5K404 K405 F406 H410 G411 T414K404-L408 WeakPolarHBondContact O-CG 3.3Å; K404-L408 PolarHBondContact O-N 2.78Å; K405-L408 PolarHBondContact O-N 3.29Å; K405-L408 VanDerWaalsContact O-N 3.1Å; F406-L408 PolarHBondContact O-N 2.85Å; L408-H410 VanDerWaalsContact C-N 3.28Å; L408-H410 PolarHBondContact O-N 3.05Å; L408-G411 PolarHBondContact O-N 2.9Å; L408-T414 HydrophobicContact CD2-CG2 4.06Å; L408-T414 HydrophobicContact CG-CG2 4.3Å
409E98.2Very high97.5Very high142 Ų14247.1 Ų47.166%0.66425%0.25SC*.Hα-helixtrans-64.4-33.4178.6-73.7165.5-171.200112.2K405 F406K405-E409 WeakPolarHBondContact O-CG 3.29Å; K405-E409 PolarHBondContact O-N 3.34Å; F406-E409 PolarHBondContact O-N 2.86Å
410H97.9Very high97.6Very high59 Ų5945.4 Ų45.427%0.27324%0.242SC..THydrogen-bonded Turntrans-105.613.6-177.6-59.384.7000113.6Y354 L369 F406 A407 L408 I412Y354-H410 AromaticContact CE1-NE2 3.95Å; L369-H410 HydrophobicContact CD1-CB 4.12Å; L369-H410 HydrophobicContact CD2-CB 4.19Å; F406-H410 AromaticContact CD2-CE1 3.57Å; F406-H410 AromaticContact CD2-ND1 3.64Å; F406-H410 AromaticContact CE2-CE1 3.34Å; F406-H410 WeakPolarHBondContact CE2-CE1 3.15Å; F406-H410 AromaticContact CE2-ND1 3.56Å; F406-H410 AromaticContact CG-ND1 3.94Å; F406-H410 AromaticContact CZ-CE1 3.92Å; F406-H410 AromaticContact CZ-ND1 3.78Å; F406-H410 PolarHBondContact O-N 2.75Å; F406-H410 VanDerWaalsContact O-N 3.12Å; F406-H410 PolarHBondContact O-ND1 3.38Å; A407-H410 CarbonylContact O-C 3.55Å; A407-H410 PolarHBondContact O-N 2.87Å; L408-H410 VanDerWaalsContact C-N 3.28Å; L408-H410 PolarHBondContact O-N 3.05Å; H410-I412 VanDerWaalsContact C-N 3.25Å; H410-I412 PolarHBondContact O-N 2.91Å
411G97.8Very high97.6Very high53 Ų5345.4 Ų45.455%0.54624%0.242SC..THydrogen-bonded Turntrans70.510.9175.900000115.8A407 L408A407-G411 PolarHBondContact O-N 2.98Å; L408-G411 PolarHBondContact O-N 2.9Å
412I98.3Very high97.5Very high4 Ų442.1 Ų42.12%0.02123%0.225CC..  trans-67.7129.5178.3-60.1174.9000109.9F349 L369 V372 W377 F406 A407 H410 T414F349-I412 HydrophobicContact CD1-CG2 4.4Å; F349-I412 HydrophobicContact CD2-CD1 4.29Å; F349-I412 HydrophobicContact CE1-CG2 3.88Å; F349-I412 HydrophobicContact CE2-CD1 4.34Å; F349-I412 HydrophobicContact CG-CD1 4.41Å; F349-I412 HydrophobicContact CZ-CG2 4.22Å; L369-I412 HydrophobicContact CD2-CD1 3.83Å; L369-I412 HydrophobicContact CD2-CG1 4.15Å; V372-I412 HydrophobicContact CG2-CG1 4.1Å; W377-I412 HydrophobicContact CB-CG2 3.56Å; W377-I412 HydrophobicContact CD2-CG2 3.86Å; W377-I412 HydrophobicContact CE3-CD1 4.19Å; W377-I412 HydrophobicContact CE3-CG2 4.11Å; W377-I412 HydrophobicContact CG-CG2 3.63Å; W377-I412 HydrophobicContact CZ3-CD1 4.19Å; F406-I412 HydrophobicContact CD1-CD1 4.43Å; F406-I412 HydrophobicContact CE1-CD1 4.08Å; A407-I412 HydrophobicContact CB-CB 3.93Å; A407-I412 HydrophobicContact CB-CG2 4.32Å; A407-I412 PolarHBondContact O-N 3.35Å; H410-I412 VanDerWaalsContact C-N 3.25Å; H410-I412 PolarHBondContact O-N 2.91Å; I412-T414 WeakPolarHBondContact O-CG2 3.14Å; I412-T414 PolarHBondContact O-N 3.42Å
413P96.4Very high97.2Very high43 Ų4343.6 Ų43.628%0.27923%0.23SC..  trans-56.6133.2178-26.534.1000113.2M416P413-M416 HydrophobicContact CB-CG 4.19Å
414T95.7Very high97.1Very high35 Ų3543.8 Ų43.822%0.21523%0.231CC..SBendtrans-112.53.1-175.963.70000114.5K404 A407 L408 I412 W442K404-T414 HydrophobicContact CG-CG2 4.29Å; A407-T414 HydrophobicContact CB-CG2 3.81Å; L408-T414 HydrophobicContact CD2-CG2 4.06Å; L408-T414 HydrophobicContact CG-CG2 4.3Å; I412-T414 WeakPolarHBondContact O-CG2 3.14Å; I412-T414 PolarHBondContact O-N 3.42Å; T414-W442 HydrophobicContact CG2-CZ3 3.91Å
415D94.2Very high96.9Very high125 Ų12541 Ų4167%0.66822%0.218SC*.  trans-117.18.9-171.766.8-27.1000114.1G417D415-G417 PolarHBondContact O-N 2.93Å; D415-G417 VanDerWaalsContact O-N 3.1Å
416M94.6Very high96.7Very high47 Ų4735.6 Ų35.623%0.23220%0.195CC..SBendtrans-58.7-24.8177-66.2-61-73.100113.2W376 P413 Y418 V555W376-M416 HydrophobicContact CB-CE 3.92Å; W376-M416 HydrophobicContact CD2-CE 4.17Å; W376-M416 HydrophobicContact CG-CE 3.64Å; P413-M416 HydrophobicContact CB-CG 4.19Å; M416-Y418 VanDerWaalsContact C-N 3.27Å; M416-Y418 PolarHBondContact O-N 3.25Å; M416-V555 VanDerWaalsContact O-CG2 3.3Å; M416-V555 WeakPolarHBondContact O-CG2 3.44Å
417G96.8Very high96.6Very high4 Ų435 Ų354%0.04119%0.193CC..  trans70.720.1174.200000114.6D415 R445 V446D415-G417 PolarHBondContact O-N 2.93Å; D415-G417 VanDerWaalsContact O-N 3.1Å; G417-R445 PolarHBondContact O-N 3.44Å; G417-V446 PolarHBondContact O-N 3.44Å
418Y98.4Very high96.5Very high3 Ų335 Ų351%0.01219%0.193CC..BIsolated β-bridgetrans-125.8141.5177.7178.1-114.3000110.4D308 N346 F378 P379 M416 V420 V446 S448 P554D308-Y418 PolarHBondContact OD2-OH 3.42Å; N346-Y418 WeakPolarHBondContact ND2-CD1 3.38Å; N346-Y418 VanDerWaalsContact ND2-CE1 3.28Å; N346-Y418 WeakPolarHBondContact ND2-CE1 3.33Å; F378-Y418 HydrophobicContact CB-CD1 3.75Å; F378-Y418 HydrophobicContact CB-CE1 4.34Å; F378-Y418 WeakPolarHBondContact CB-O 3.46Å; F378-Y418 AromaticContact CD1-CD1 3.96Å; F378-Y418 HydrophobicContact CD1-CD1 3.96Å; F378-Y418 AromaticContact CD1-CE1 3.87Å; F378-Y418 HydrophobicContact CD1-CE1 3.87Å; F378-Y418 HydrophobicContact CD2-CE1 4.42Å; F378-Y418 HydrophobicContact CE1-CE1 4.19Å; F378-Y418 AromaticContact CG-CD1 3.88Å; F378-Y418 HydrophobicContact CG-CD1 3.88Å; F378-Y418 AromaticContact CG-CE1 3.97Å; F378-Y418 HydrophobicContact CG-CE1 3.97Å; P379-Y418 WeakPolarHBondContact CD-O 3.42Å; M416-Y418 VanDerWaalsContact C-N 3.27Å; M416-Y418 PolarHBondContact O-N 3.25Å; Y418-V420 HydrophobicContact CE1-CG2 3.88Å; Y418-V420 HydrophobicContact CE2-CG2 4.36Å; Y418-V420 WeakPolarHBondContact OH-CG2 3.24Å; Y418-V446 WeakPolarHBondContact CA-O 3.26Å; Y418-V446 HydrophobicContact CD2-CB 3.86Å; Y418-V446 HydrophobicContact CD2-CG1 3.69Å; Y418-V446 WeakPolarHBondContact CD2-O 3.46Å; Y418-V446 HydrophobicContact CE2-CG1 4.07Å; Y418-S448 PolarHBondContact OH-OG 2.92Å; Y418-P554 HydrophobicContact CD1-CB 4.01Å; Y418-P554 HydrophobicContact CD1-CG 3.83Å; Y418-P554 HydrophobicContact CD2-CB 3.77Å; Y418-P554 HydrophobicContact CD2-CG 4.49Å; Y418-P554 HydrophobicContact CE1-CG 4.45Å; Y418-P554 HydrophobicContact CE2-CB 4.43Å; Y418-P554 HydrophobicContact CG-CB 3.52Å; Y418-P554 HydrophobicContact CG-CG 3.85Å
419A98.1Very high96.3Very high0 Ų029.8 Ų29.80%017%0.165CC..  trans-150.1153.8175.100000110.6P379 W438 I444 V446 T447P379-A419 HydrophobicContact CG-CB 3.82Å; A419-W438 HydrophobicContact CB-CD2 4.48Å; A419-W438 HydrophobicContact CB-CZ2 4.04Å; A419-I444 HydrophobicContact CB-CD1 3.62Å; A419-I444 HydrophobicContact CB-CG1 3.82Å; A419-I444 HydrophobicContact CB-CG2 4.23Å; A419-V446 PolarHBondContact N-O 2.79Å; A419-T447 VanDerWaalsContact O-CA 3.29Å; A419-T447 WeakPolarHBondContact O-CA 3.37Å; A419-T447 WeakPolarHBondContact O-CB 3.44Å; A419-T447 PolarHBondContact O-OG1 3.16Å
420V97.6Very high96.1Very high1 Ų123.6 Ų23.61%0.00614%0.137CC..  trans-126.7134.1169.7-175.50000107.5F378 H380 Y418 R474F378-V420 HydrophobicContact CD2-CB 4.19Å; F378-V420 HydrophobicContact CD2-CG2 4.07Å; F378-V420 HydrophobicContact CE2-CB 3.78Å; F378-V420 HydrophobicContact CE2-CG2 3.71Å; F378-V420 HydrophobicContact CZ-CG2 4.24Å; H380-V420 PolarHBondContact ND1-O 3.31Å; Y418-V420 HydrophobicContact CE1-CG2 3.88Å; Y418-V420 HydrophobicContact CE2-CG2 4.36Å; Y418-V420 WeakPolarHBondContact OH-CG2 3.24Å; V420-R474 VanDerWaalsContact CG1-NH1 3.34Å
421A97.1Very high95.9Very high1 Ų121 Ų211%0.00813%0.126CC..  trans-80.8143.9173.300000110.9H380 P387 H423 H424 S425 V427 L434 W438H380-A421 VanDerWaalsContact CE1-C 3.49Å; P387-A421 HydrophobicContact CG-CB 3.76Å; A421-H423 PolarHBondContact O-N 3.38Å; A421-H424 WeakPolarHBondContact O-CA 3.4Å; A421-H424 PolarHBondContact O-N 2.64Å; A421-S425 WeakPolarHBondContact CB-O 3.45Å; A421-V427 HydrophobicContact CB-CG2 4Å; A421-L434 HydrophobicContact CB-CD2 4.04Å; A421-W438 HydrophobicContact CB-CH2 4.21Å; A421-W438 HydrophobicContact CB-CZ2 3.91Å
422P96.3Very high95.7Very high0 Ų019.9 Ų19.90%011%0.108CC..G310 helixtrans-47.6131170.1-32.338000112.1H380 M381 Q386 H424 S425H380-P422 VanDerWaalsContact O-CG 3.3Å; H380-P422 WeakPolarHBondContact O-CG 3.47Å; M381-P422 HydrophobicContact CB-CG 4.04Å; M381-P422 VanDerWaalsContact CG-CD 3.5Å; M381-P422 HydrophobicContact CG-CG 3.92Å; Q386-P422 HydrophobicContact CG-CB 4.4Å; P422-H424 PolarHBondContact O-N 2.67Å; P422-H424 VanDerWaalsContact O-N 3.07Å; P422-S425 PolarHBondContact O-N 2.98Å; P422-S425 VanDerWaalsContact O-N 3.15Å
423H93.5Very high95.5Very high102 Ų10222 Ų2247%0.47212%0.118SC..G310 helixtrans55.219.7-176.3-59-95.5000115Q386 A421 S425Q386-H423 VanDerWaalsContact CD-CD2 3.47Å; Q386-H423 HydrophobicContact CG-CB 4.17Å; Q386-H423 PolarHBondContact NE2-CD2 3.35Å; Q386-H423 PolarHBondContact NE2-NE2 2.91Å; A421-H423 PolarHBondContact O-N 3.38Å; H423-S425 PolarHBondContact O-N 3.18Å
424H94.9Very high95.5Very high4 Ų420 Ų202%0.01911%0.105CC..G310 helixtrans56.711.5-171.9-55.2-74000115.2A421 P422 G426 V427 S448 E451 R474 M518A421-H424 WeakPolarHBondContact O-CA 3.4Å; A421-H424 PolarHBondContact O-N 2.64Å; P422-H424 PolarHBondContact O-N 2.67Å; P422-H424 VanDerWaalsContact O-N 3.07Å; H424-G426 PolarHBondContact O-N 3.17Å; H424-V427 WeakPolarHBondContact O-CB 3.09Å; H424-V427 PolarHBondContact O-N 2.93Å; H424-V427 VanDerWaalsContact O-N 3.16Å; H424-S448 PolarHBondContact ND1-O 3.45Å; H424-E451 HydrophobicContact CB-CG 4Å; H424-R474 PolarHBondContact CE1-NH1 3.48Å; H424-M518 PolarHBondContact NE2-SD 2.91Å
425S95.4Very high95.5Very high0 Ų018.3 Ų18.30%09%0.094CC..THydrogen-bonded Turntrans-59.9132.5-177146.60000110.5P387 H388 A421 P422 H423 V427P387-S425 WeakPolarHBondContact CD-O 3.45Å; P387-S425 WeakPolarHBondContact CD-OG 3.29Å; P387-S425 WeakPolarHBondContact CG-O 3.5Å; H388-S425 PolarHBondContact N-OG 3.29Å; H388-S425 VanDerWaalsContact N-OG 3.13Å; H388-S425 WeakPolarHBondContact ND1-CB 3.38Å; H388-S425 PolarHBondContact ND1-OG 2.82Å; A421-S425 WeakPolarHBondContact CB-O 3.45Å; P422-S425 PolarHBondContact O-N 2.98Å; P422-S425 VanDerWaalsContact O-N 3.15Å; H423-S425 PolarHBondContact O-N 3.18Å; S425-V427 PolarHBondContact O-N 2.93Å
426G94.1Very high95.6Very high1 Ų115.3 Ų15.31%0.018%0.076CC..THydrogen-bonded Turntrans78-10.1177.900000114.7H424 P429 H431 Y435H424-G426 PolarHBondContact O-N 3.17Å; G426-P429 CarbonylContact C-O 3.32Å; G426-P429 WeakPolarHBondContact CA-O 3.12Å; G426-H431 VanDerWaalsContact CA-CB 3.49Å; G426-H431 PolarHBondContact O-N 3.23Å; G426-Y435 WeakPolarHBondContact O-CE2 3.02Å
427V96.5Very high95.7Very high0 Ų013 Ų130%07%0.065CC..THydrogen-bonded Turntrans-72.3-51.8166.5-176.70000109.1A421 H424 S425 V430 L434 Y435 W438 T447 T449 V471A421-V427 HydrophobicContact CB-CG2 4Å; H424-V427 WeakPolarHBondContact O-CB 3.09Å; H424-V427 PolarHBondContact O-N 2.93Å; H424-V427 VanDerWaalsContact O-N 3.16Å; S425-V427 PolarHBondContact O-N 2.93Å; V427-V430 WeakPolarHBondContact O-CG2 3.39Å; V427-L434 HydrophobicContact CG2-CD2 4.28Å; V427-Y435 PolarHBondContact O-OH 3.34Å; V427-W438 HydrophobicContact CG2-CH2 3.61Å; V427-W438 HydrophobicContact CG2-CZ3 4.2Å; V427-T447 HydrophobicContact CG1-CG2 3.73Å; V427-T449 HydrophobicContact CG1-CG2 3.89Å; V427-V471 HydrophobicContact CG1-CG1 3.76Å
428Y95.6Very high95.8Very high0 Ų013 Ų130%06%0.064CC..THydrogen-bonded Turntrans-150.5128.3167.9-169.4-97.5000110.6E451 Y452 P453 F464 W573 Q574 H582Y428-E451 HydrophobicContact CD1-CB 4.18Å; Y428-E451 WeakPolarHBondContact CD1-O 3.35Å; Y428-E451 WeakPolarHBondContact O-CB 3.22Å; Y428-Y452 AromaticContact CD1-CD2 3.84Å; Y428-Y452 HydrophobicContact CD1-CD2 3.84Å; Y428-Y452 AromaticContact CD2-CD2 3.4Å; Y428-Y452 HydrophobicContact CD2-CD2 3.4Å; Y428-Y452 VanDerWaalsContact CD2-CD2 3.4Å; Y428-Y452 HydrophobicContact CD2-CE2 4.05Å; Y428-Y452 HydrophobicContact CD2-CG 4.27Å; Y428-Y452 AromaticContact CE1-CD2 3.74Å; Y428-Y452 HydrophobicContact CE1-CD2 3.74Å; Y428-Y452 HydrophobicContact CE1-CE2 4.43Å; Y428-Y452 AromaticContact CE2-CD2 3.3Å; Y428-Y452 HydrophobicContact CE2-CD2 3.3Å; Y428-Y452 AromaticContact CE2-CE2 3.55Å; Y428-Y452 HydrophobicContact CE2-CE2 3.55Å; Y428-Y452 AromaticContact CG-CD2 3.66Å; Y428-Y452 HydrophobicContact CG-CD2 3.66Å; Y428-Y452 HydrophobicContact CG-CG 4.26Å; Y428-Y452 AromaticContact CZ-CD2 3.46Å; Y428-Y452 VanDerWaalsContact CZ-CD2 3.46Å; Y428-Y452 AromaticContact CZ-CE2 3.75Å; Y428-P453 WeakPolarHBondContact CE1-O 3.35Å; Y428-F464 HydrophobicContact CD2-CE1 4.46Å; Y428-F464 HydrophobicContact CD2-CZ 4.3Å; Y428-W573 HydrophobicContact CE2-CE3 4.06Å; Y428-W573 HydrophobicContact CE2-CZ3 4.32Å; Y428-Q574 WeakPolarHBondContact OH-CB 3.29Å; Y428-Q574 WeakPolarHBondContact OH-CG 3.23Å; Y428-Q574 PolarHBondContact OH-N 3.46Å; Y428-H582 AromaticContact CD1-CE1 3.98Å; Y428-H582 AromaticContact CD1-NE2 3.87Å; Y428-H582 AromaticContact CE1-CE1 3.53Å; Y428-H582 AromaticContact CE1-ND1 3.89Å; Y428-H582 AromaticContact CE1-NE2 3.9Å
429P94.8Very high95.7Very high1 Ų115.9 Ų15.91%0.0068%0.076CC..THydrogen-bonded Turncis-56.1144.3-7.2-22.733.9000112.1G426 H431 P576 H582 W586G426-P429 CarbonylContact C-O 3.32Å; G426-P429 WeakPolarHBondContact CA-O 3.12Å; P429-H431 PolarHBondContact O-N 2.92Å; P429-P576 HydrophobicContact CB-CB 4.28Å; P429-P576 HydrophobicContact CB-CG 4.23Å; P429-P576 HydrophobicContact CG-CB 3.86Å; P429-P576 HydrophobicContact CG-CG 4.3Å; P429-H582 HydrophobicContact CG-CB 3.63Å; P429-W586 HydrophobicContact CB-CG 4.36Å
430V94.5Very high95.6Very high12 Ų1222.9 Ų22.97%0.07311%0.106CC..THydrogen-bonded Turntrans-64.2128.4-172.9170.60000110.3V427 V432 Y435 F464 W573V427-V430 WeakPolarHBondContact O-CG2 3.39Å; V430-V432 HydrophobicContact CG1-CG2 4.19Å; V430-Y435 HydrophobicContact CB-CE2 4.46Å; V430-Y435 HydrophobicContact CG1-CD2 4.07Å; V430-Y435 HydrophobicContact CG1-CE2 3.82Å; V430-Y435 HydrophobicContact CG2-CE2 4.29Å; V430-F464 HydrophobicContact CG2-CE2 4.19Å; V430-F464 HydrophobicContact CG2-CZ 4.29Å; V430-W573 HydrophobicContact CG2-CH2 4.08Å; V430-W573 HydrophobicContact CG2-CZ3 3.85Å
431H93.8Very high95.6Very high6 Ų623.4 Ų23.43%0.02811%0.11CC..  trans-106.4104.9165.4-17467.3000108.3G426 P429 Q433 L434G426-H431 VanDerWaalsContact CA-CB 3.49Å; G426-H431 PolarHBondContact O-N 3.23Å; P429-H431 PolarHBondContact O-N 2.92Å; H431-Q433 PolarHBondContact CE1-OE1 2.89Å; H431-Q433 PolarHBondContact ND1-OE1 3.22Å; H431-Q433 PolarHBondContact NE2-OE1 3.08Å; H431-Q433 PolarHBondContact O-N 3.12Å; H431-L434 HydrophobicContact CB-CB 4.44Å; H431-L434 VanDerWaalsContact O-CB 3.28Å; H431-L434 WeakPolarHBondContact O-CB 3.33Å; H431-L434 PolarHBondContact O-N 3.3Å
432V92.9Very high95.6Very high29 Ų2923.7 Ų23.718%0.17611%0.111CC..Hα-helixtrans-58.6-36.7-167.31720000112.8V430 L434 Y435 E436 K467 D647V430-V432 HydrophobicContact CG1-CG2 4.19Å; V432-L434 VanDerWaalsContact C-N 3.26Å; V432-L434 PolarHBondContact O-N 3.23Å; V432-Y435 PolarHBondContact O-N 3.14Å; V432-E436 PolarHBondContact O-N 2.95Å; V432-K467 HydrophobicContact CG1-CD 4.42Å; V432-D647 HydrophobicContact CG2-CB 4.22Å; V432-D647 WeakPolarHBondContact CG2-OD2 3.47Å
433Q93.9Very high95.6Very high49 Ų4929 Ų2923%0.22914%0.139CC..Hα-helixtrans-62.3-32.8179.5-60.485.3-3000112E393 L396 H431 E436 A437E393-Q433 HydrophobicContact CB-CB 4.24Å; E393-Q433 HydrophobicContact CB-CG 4.31Å; L396-Q433 HydrophobicContact CD1-CB 3.91Å; H431-Q433 PolarHBondContact CE1-OE1 2.89Å; H431-Q433 PolarHBondContact ND1-OE1 3.22Å; H431-Q433 PolarHBondContact NE2-OE1 3.08Å; H431-Q433 PolarHBondContact O-N 3.12Å; Q433-E436 PolarHBondContact O-N 2.92Å; Q433-A437 VanDerWaalsContact O-CB 3.29Å; Q433-A437 WeakPolarHBondContact O-CB 3.25Å; Q433-A437 PolarHBondContact O-N 2.68Å
434L96.3Very high95.8Very high0 Ų024.4 Ų24.40%012%0.118CC..Hα-helixtrans-61.7-47.2175.6176.463.1000111P387 M400 A421 V427 H431 V432 E436 A437 W438P387-L434 HydrophobicContact CB-CB 4.29Å; P387-L434 HydrophobicContact CB-CD1 3.94Å; P387-L434 HydrophobicContact CB-CD2 4.05Å; P387-L434 HydrophobicContact CB-CG 4.32Å; P387-L434 HydrophobicContact CG-CD1 3.69Å; P387-L434 HydrophobicContact CG-CD2 3.94Å; P387-L434 HydrophobicContact CG-CG 4.35Å; M400-L434 HydrophobicContact CE-CD1 3.68Å; A421-L434 HydrophobicContact CB-CD2 4.04Å; V427-L434 HydrophobicContact CG2-CD2 4.28Å; H431-L434 HydrophobicContact CB-CB 4.44Å; H431-L434 VanDerWaalsContact O-CB 3.28Å; H431-L434 WeakPolarHBondContact O-CB 3.33Å; H431-L434 PolarHBondContact O-N 3.3Å; V432-L434 VanDerWaalsContact C-N 3.26Å; V432-L434 PolarHBondContact O-N 3.23Å; L434-E436 VanDerWaalsContact C-N 3.33Å; L434-E436 PolarHBondContact O-N 3.21Å; L434-A437 PolarHBondContact O-N 2.96Å; L434-W438 HydrophobicContact CD1-CD2 3.85Å; L434-W438 HydrophobicContact CD1-CE3 4.38Å; L434-W438 HydrophobicContact CD1-CG 4.28Å; L434-W438 HydrophobicContact CD1-CH2 4.4Å; L434-W438 HydrophobicContact CD1-CZ2 3.84Å; L434-W438 HydrophobicContact CD2-CE3 4.37Å; L434-W438 HydrophobicContact CD2-CH2 3.77Å; L434-W438 HydrophobicContact CD2-CZ2 3.99Å; L434-W438 HydrophobicContact CD2-CZ3 3.94Å; L434-W438 HydrophobicContact CG-CD2 3.9Å; L434-W438 HydrophobicContact CG-CE3 3.91Å; L434-W438 HydrophobicContact CG-CH2 4.11Å; L434-W438 HydrophobicContact CG-CZ2 4.06Å; L434-W438 HydrophobicContact CG-CZ3 4Å; L434-W438 VanDerWaalsContact O-CB 3.28Å; L434-W438 WeakPolarHBondContact O-CB 3.39Å; L434-W438 PolarHBondContact O-N 3.44Å
435Y96.9Very high96Very high0 Ų029.1 Ų29.10%014%0.135CC..Hα-helixtrans-65.4-36.2-178.6-76.3-108.6000112G426 V427 V430 V432 K439 H466 I469 V471G426-Y435 WeakPolarHBondContact O-CE2 3.02Å; V427-Y435 PolarHBondContact O-OH 3.34Å; V430-Y435 HydrophobicContact CB-CE2 4.46Å; V430-Y435 HydrophobicContact CG1-CD2 4.07Å; V430-Y435 HydrophobicContact CG1-CE2 3.82Å; V430-Y435 HydrophobicContact CG2-CE2 4.29Å; V432-Y435 PolarHBondContact O-N 3.14Å; Y435-K439 WeakPolarHBondContact O-CG 3.46Å; Y435-K439 PolarHBondContact O-N 3.08Å; Y435-H466 AromaticContact CD1-CD2 3.92Å; Y435-H466 HydrophobicContact CE1-CB 4.07Å; Y435-H466 AromaticContact CE1-CD2 3.97Å; Y435-I469 HydrophobicContact CD1-CB 3.94Å; Y435-I469 HydrophobicContact CD1-CD1 3.78Å; Y435-I469 HydrophobicContact CD1-CG1 4.2Å; Y435-I469 HydrophobicContact CD1-CG2 4.45Å; Y435-I469 HydrophobicContact CE1-CB 4.03Å; Y435-I469 HydrophobicContact CE1-CG2 4.23Å; Y435-I469 HydrophobicContact CG-CD1 4.4Å; Y435-V471 HydrophobicContact CE1-CG2 4.29Å; Y435-V471 WeakPolarHBondContact OH-CG2 3.33Å
436E96.1Very high96.1Very high61 Ų6129.1 Ų29.129%0.28514%0.135SC..Hα-helixtrans-71.4-46.8175.6-64.5-58.116400111.9V432 Q433 L434 W438 K439 K440 K467V432-E436 PolarHBondContact O-N 2.95Å; Q433-E436 PolarHBondContact O-N 2.92Å; L434-E436 VanDerWaalsContact C-N 3.33Å; L434-E436 PolarHBondContact O-N 3.21Å; E436-W438 VanDerWaalsContact C-N 3.32Å; E436-W438 PolarHBondContact O-N 2.78Å; E436-K439 PolarHBondContact O-N 2.9Å; E436-K440 WeakPolarHBondContact O-CB 3.49Å; E436-K440 PolarHBondContact O-N 2.84Å; E436-K467 VanDerWaalsContact OE1-CD 3.27Å; E436-K467 WeakPolarHBondContact OE1-CD 3.23Å; E436-K467 WeakPolarHBondContact OE1-CE 3.34Å; E436-K467 IonicContact OE1-NZ 3.3Å; E436-K467 PolarHBondContact OE1-NZ 3Å
437A97.2Very high96.4Very high0 Ų029 Ų290%014%0.135CC..Hα-helixtrans-59.4-42.9177.200000111.8E393 L396 V397 M400 Q433 L434 K439 K440 V441E393-A437 HydrophobicContact CG-CB 4.46Å; L396-A437 HydrophobicContact CB-CB 4.11Å; V397-A437 HydrophobicContact CG2-CB 3.72Å; M400-A437 HydrophobicContact CE-CB 3.76Å; M400-A437 HydrophobicContact SD-CB 3.74Å; Q433-A437 VanDerWaalsContact O-CB 3.29Å; Q433-A437 WeakPolarHBondContact O-CB 3.25Å; Q433-A437 PolarHBondContact O-N 2.68Å; L434-A437 PolarHBondContact O-N 2.96Å; A437-K439 PolarHBondContact O-N 2.91Å; A437-K440 PolarHBondContact O-N 3.45Å; A437-V441 WeakPolarHBondContact O-CG2 3.43Å; A437-V441 PolarHBondContact O-N 2.93Å
438W97.5Very high96.4Very high4 Ų429 Ų292%0.01514%0.135CC..Hα-helixtrans-59.5-44.2175.9-88.9-15.9000113.7M400 A419 A421 V427 L434 E436 W442 N443 I444 T447 I469M400-W438 HydrophobicContact CE-CG 4.16Å; A419-W438 HydrophobicContact CB-CD2 4.48Å; A419-W438 HydrophobicContact CB-CZ2 4.04Å; A421-W438 HydrophobicContact CB-CH2 4.21Å; A421-W438 HydrophobicContact CB-CZ2 3.91Å; V427-W438 HydrophobicContact CG2-CH2 3.61Å; V427-W438 HydrophobicContact CG2-CZ3 4.2Å; L434-W438 HydrophobicContact CD1-CD2 3.85Å; L434-W438 HydrophobicContact CD1-CE3 4.38Å; L434-W438 HydrophobicContact CD1-CG 4.28Å; L434-W438 HydrophobicContact CD1-CH2 4.4Å; L434-W438 HydrophobicContact CD1-CZ2 3.84Å; L434-W438 HydrophobicContact CD2-CE3 4.37Å; L434-W438 HydrophobicContact CD2-CH2 3.77Å; L434-W438 HydrophobicContact CD2-CZ2 3.99Å; L434-W438 HydrophobicContact CD2-CZ3 3.94Å; L434-W438 HydrophobicContact CG-CD2 3.9Å; L434-W438 HydrophobicContact CG-CE3 3.91Å; L434-W438 HydrophobicContact CG-CH2 4.11Å; L434-W438 HydrophobicContact CG-CZ2 4.06Å; L434-W438 HydrophobicContact CG-CZ3 4Å; L434-W438 VanDerWaalsContact O-CB 3.28Å; L434-W438 WeakPolarHBondContact O-CB 3.39Å; L434-W438 PolarHBondContact O-N 3.44Å; E436-W438 VanDerWaalsContact C-N 3.32Å; E436-W438 PolarHBondContact O-N 2.78Å; W438-W442 CarbonylContact O-C 3.55Å; W438-W442 WeakPolarHBondContact O-CA 3.5Å; W438-W442 PolarHBondContact O-N 3.02Å; W438-N443 PolarHBondContact O-N 3.35Å; W438-N443 VanDerWaalsContact O-N 3.08Å; W438-I444 HydrophobicContact CB-CB 3.91Å; W438-I444 HydrophobicContact CB-CG1 3.74Å; W438-I444 HydrophobicContact CD2-CG1 4.47Å; W438-I444 HydrophobicContact CG-CB 4.33Å; W438-I444 HydrophobicContact CG-CG1 3.87Å; W438-I444 PolarHBondContact O-N 3.42Å; W438-T447 HydrophobicContact CH2-CG2 4.27Å; W438-T447 VanDerWaalsContact CH2-OG1 3.3Å; W438-T447 WeakPolarHBondContact CH2-OG1 3.45Å; W438-T447 HydrophobicContact CZ3-CG2 3.87Å; W438-I469 HydrophobicContact CB-CD1 4.47Å; W438-I469 HydrophobicContact CE3-CD1 4.3Å
439K96.4Very high96.5Very high63 Ų6329 Ų2927%0.27414%0.135SC..Hα-helixtrans-64.2-46.1174.7-73.8175.8-179.7177.40111.7Y435 E436 A437 N443 K467 I469Y435-K439 WeakPolarHBondContact O-CG 3.46Å; Y435-K439 PolarHBondContact O-N 3.08Å; E436-K439 PolarHBondContact O-N 2.9Å; A437-K439 PolarHBondContact O-N 2.91Å; K439-N443 WeakPolarHBondContact O-CA 3.41Å; K439-N443 PolarHBondContact O-N 3.17Å; K439-N443 VanDerWaalsContact O-N 3.11Å; K439-K467 WeakPolarHBondContact CE-O 3.47Å; K439-K467 PolarHBondContact NZ-O 2.93Å; K439-I469 HydrophobicContact CG-CD1 4.19Å
440K96.5Very high96.5Very high146 Ų14629.4 Ų29.464%0.63514%0.137SC*.Hα-helixtrans-64.3-43.3-174.3-173.5179.4-177.3179.30112.3E393 V397 E436 A437E393-K440 IonicContact OE1-NZ 2.71Å; V397-K440 HydrophobicContact CG2-CD 4.13Å; E436-K440 WeakPolarHBondContact O-CB 3.49Å; E436-K440 PolarHBondContact O-N 2.84Å; A437-K440 PolarHBondContact O-N 3.45Å
441V97.7Very high96.5Very high12 Ų1228.9 Ų28.97%0.07313%0.133CC..Hα-helixtrans-93-43.8-173.5-176.10000112.2V397 M400 I401 K404 A437V397-V441 HydrophobicContact CB-CG2 4.3Å; V397-V441 HydrophobicContact CG1-CG2 3.82Å; V397-V441 HydrophobicContact CG2-CG2 4.23Å; M400-V441 HydrophobicContact CB-CB 4.01Å; M400-V441 HydrophobicContact CB-CG1 3.79Å; M400-V441 HydrophobicContact CB-CG2 4.01Å; M400-V441 HydrophobicContact SD-CB 4.47Å; I401-V441 HydrophobicContact CG1-CG1 4.11Å; I401-V441 HydrophobicContact CG1-CG2 4.24Å; K404-V441 HydrophobicContact CB-CG1 4.41Å; K404-V441 HydrophobicContact CD-CG1 4.02Å; K404-V441 WeakPolarHBondContact CD-O 3.46Å; K404-V441 PolarHBondContact NZ-O 3.08Å; A437-V441 WeakPolarHBondContact O-CG2 3.43Å; A437-V441 PolarHBondContact O-N 2.93Å
442W96.8Very high96.6Very high8 Ų828.6 Ų28.63%0.0313%0.132CC..Hα-helixtrans-115.6-5.3-168.3-68.4100.4000114.3F349 P379 N403 K404 A407 T414 W438 I444F349-W442 AromaticContact CZ-CH2 3.97Å; F349-W442 HydrophobicContact CZ-CH2 3.97Å; P379-W442 HydrophobicContact CB-CD2 4.01Å; P379-W442 HydrophobicContact CB-CE3 4.29Å; P379-W442 HydrophobicContact CB-CH2 3.85Å; P379-W442 HydrophobicContact CB-CZ2 3.55Å; P379-W442 HydrophobicContact CB-CZ3 4.21Å; P379-W442 HydrophobicContact CG-CD2 3.71Å; P379-W442 HydrophobicContact CG-CE3 3.96Å; P379-W442 HydrophobicContact CG-CG 4.08Å; P379-W442 HydrophobicContact CG-CH2 4.41Å; P379-W442 HydrophobicContact CG-CZ2 4.21Å; P379-W442 HydrophobicContact CG-CZ3 4.29Å; N403-W442 HydrophobicContact CB-CZ2 4.13Å; K404-W442 VanDerWaalsContact CA-CZ2 3.46Å; K404-W442 HydrophobicContact CB-CH2 3.66Å; K404-W442 HydrophobicContact CB-CZ2 3.49Å; K404-W442 VanDerWaalsContact CB-CZ2 3.49Å; K404-W442 HydrophobicContact CB-CZ3 4.27Å; K404-W442 HydrophobicContact CD-CD2 4.46Å; K404-W442 HydrophobicContact CD-CE3 4.4Å; K404-W442 HydrophobicContact CG-CE3 4.33Å; K404-W442 HydrophobicContact CG-CH2 3.86Å; K404-W442 HydrophobicContact CG-CZ2 4.1Å; K404-W442 HydrophobicContact CG-CZ3 3.98Å; A407-W442 HydrophobicContact CB-CH2 4.18Å; T414-W442 HydrophobicContact CG2-CZ3 3.91Å; W438-W442 CarbonylContact O-C 3.55Å; W438-W442 WeakPolarHBondContact O-CA 3.5Å; W438-W442 PolarHBondContact O-N 3.02Å; W442-I444 HydrophobicContact CB-CD1 3.48Å; W442-I444 VanDerWaalsContact CB-CD1 3.48Å; W442-I444 HydrophobicContact CB-CG1 3.67Å; W442-I444 HydrophobicContact CG-CD1 4.39Å; W442-I444 PolarHBondContact O-N 2.99Å
443N96.8Very high96.6Very high111 Ų11127.9 Ų27.959%0.59413%0.128SC*.  trans52.741.4-173.4-16930.9000112.6W438 K439 R445W438-N443 PolarHBondContact O-N 3.35Å; W438-N443 VanDerWaalsContact O-N 3.08Å; K439-N443 WeakPolarHBondContact O-CA 3.41Å; K439-N443 PolarHBondContact O-N 3.17Å; K439-N443 VanDerWaalsContact O-N 3.11Å; N443-R445 PolarHBondContact O-N 2.99Å
444I98Very high96.4Very high5 Ų528.1 Ų28.13%0.02613%0.129CC..  trans-64.3135.9-179.1-57.2-52.6000110.7A419 W438 W442 V446 I469A419-I444 HydrophobicContact CB-CD1 3.62Å; A419-I444 HydrophobicContact CB-CG1 3.82Å; A419-I444 HydrophobicContact CB-CG2 4.23Å; W438-I444 HydrophobicContact CB-CB 3.91Å; W438-I444 HydrophobicContact CB-CG1 3.74Å; W438-I444 HydrophobicContact CD2-CG1 4.47Å; W438-I444 HydrophobicContact CG-CB 4.33Å; W438-I444 HydrophobicContact CG-CG1 3.87Å; W438-I444 PolarHBondContact O-N 3.42Å; W442-I444 HydrophobicContact CB-CD1 3.48Å; W442-I444 VanDerWaalsContact CB-CD1 3.48Å; W442-I444 HydrophobicContact CB-CG1 3.67Å; W442-I444 HydrophobicContact CG-CD1 4.39Å; W442-I444 PolarHBondContact O-N 2.99Å; I444-V446 WeakPolarHBondContact CG2-O 3.39Å; I444-I469 HydrophobicContact CB-CD1 4.42Å; I444-I469 HydrophobicContact CG2-CD1 4.35Å; I444-I469 HydrophobicContact CG2-CG2 4.44Å
445R98.3Very high96.1Very high103 Ų10329.8 Ų29.839%0.38914%0.138SC..  trans-119.2-20.1175.4-63.7-179.5-68.4-163.1-4.2112.3G417 N443 I469 M470G417-R445 PolarHBondContact O-N 3.44Å; N443-R445 PolarHBondContact O-N 2.99Å; R445-I469 WeakPolarHBondContact O-CA 3.35Å; R445-M470 PolarHBondContact O-N 2.85Å
446V98.6Very high95.8Very high0 Ų037.9 Ų37.90%017%0.173CC..EExtended strand (participates in β ladder)trans-134.3142.9-178.3-174.10000110.8G417 Y418 A419 I444 M470 L472 V555 A558G417-V446 PolarHBondContact O-N 3.44Å; Y418-V446 WeakPolarHBondContact CA-O 3.26Å; Y418-V446 HydrophobicContact CD2-CB 3.86Å; Y418-V446 HydrophobicContact CD2-CG1 3.69Å; Y418-V446 WeakPolarHBondContact CD2-O 3.46Å; Y418-V446 HydrophobicContact CE2-CG1 4.07Å; A419-V446 PolarHBondContact N-O 2.79Å; I444-V446 WeakPolarHBondContact CG2-O 3.39Å; V446-M470 CarbonylContact C-O 3.53Å; V446-M470 VanDerWaalsContact CA-O 3.25Å; V446-M470 WeakPolarHBondContact CA-O 3.44Å; V446-M470 HydrophobicContact CG2-CB 4.24Å; V446-M470 HydrophobicContact CG2-CE 3.9Å; V446-L472 HydrophobicContact CG1-CD1 3.94Å; V446-L472 HydrophobicContact CG1-CG 4.12Å; V446-V555 HydrophobicContact CG2-CB 4.4Å; V446-V555 HydrophobicContact CG2-CG2 4.08Å; V446-A558 HydrophobicContact CB-CB 4.33Å; V446-A558 HydrophobicContact CG1-CB 3.77Å; V446-A558 HydrophobicContact CG2-CB 3.48Å; V446-A558 VanDerWaalsContact CG2-CB 3.48Å
447T98.6Very high95.6Very high0 Ų037 Ų370%017%0.172CC..EExtended strand (participates in β ladder)trans-142177.3164.3-171.40000109.2A419 V427 W438 I469 M470 V471 L472A419-T447 VanDerWaalsContact O-CA 3.29Å; A419-T447 WeakPolarHBondContact O-CA 3.37Å; A419-T447 WeakPolarHBondContact O-CB 3.44Å; A419-T447 PolarHBondContact O-OG1 3.16Å; V427-T447 HydrophobicContact CG1-CG2 3.73Å; W438-T447 HydrophobicContact CH2-CG2 4.27Å; W438-T447 VanDerWaalsContact CH2-OG1 3.3Å; W438-T447 WeakPolarHBondContact CH2-OG1 3.45Å; W438-T447 HydrophobicContact CZ3-CG2 3.87Å; T447-I469 HydrophobicContact CG2-CG2 3.99Å; T447-M470 PolarHBondContact N-O 3Å; T447-V471 HydrophobicContact CG2-CB 4.25Å; T447-V471 HydrophobicContact CG2-CG1 4.13Å; T447-V471 HydrophobicContact CG2-CG2 3.75Å; T447-V471 WeakPolarHBondContact O-CA 3.44Å; T447-L472 PolarHBondContact O-N 3.09Å
448S97.8Very high95.2Very high0 Ų038.5 Ų38.50%018%0.184CC..EExtended strand (participates in β ladder)trans-142.3155.1174.556.40000112.1Y418 H424 L472Y418-S448 PolarHBondContact OH-OG 2.92Å; H424-S448 PolarHBondContact ND1-O 3.45Å; S448-L472 CarbonylContact C-O 3.47Å; S448-L472 WeakPolarHBondContact CA-O 3.19Å; S448-L472 VanDerWaalsContact CB-O 3.3Å; S448-L472 WeakPolarHBondContact CB-O 3.38Å
449T97Very high94.9Very high0 Ų041.9 Ų41.90%020%0.197CC..EExtended strand (participates in β ladder)trans-149.2146.7178.3-176.10000111.4V427 E451 V471 L472 R474V427-T449 HydrophobicContact CG1-CG2 3.89Å; T449-E451 VanDerWaalsContact C-N 3.35Å; T449-E451 WeakPolarHBondContact OG1-CB 3.41Å; T449-E451 WeakPolarHBondContact OG1-CG 3.2Å; T449-E451 PolarHBondContact OG1-N 2.74Å; T449-V471 HydrophobicContact CG2-CG1 3.72Å; T449-L472 PolarHBondContact N-O 3.03Å; T449-R474 PolarHBondContact O-N 2.98Å
450E95Very high94.7Very high9 Ų944.1 Ų44.14%0.04221%0.205CC..SBendtrans-87.6-6.1166.960.9174.7-168.400113L455 R461 R474 T476 M518 R581E450-L455 HydrophobicContact CB-CD1 4Å; E450-L455 HydrophobicContact CG-CD1 3.6Å; E450-L455 WeakPolarHBondContact O-CA 3.33Å; E450-R461 PolarHBondContact O-NE 3.35Å; E450-R474 HydrophobicContact CB-CB 4.48Å; E450-T476 VanDerWaalsContact OE2-CG2 3.24Å; E450-T476 WeakPolarHBondContact OE2-CG2 3.28Å; E450-M518 WeakPolarHBondContact OE2-CE 3.43Å; E450-R581 IonicContact OE1-CZ 2.64Å; E450-R581 IonicContact OE1-NH1 3.9Å; E450-R581 PolarHBondContact OE1-NH1 3.35Å; E450-R581 IonicContact OE1-NH2 3.16Å; E450-R581 PolarHBondContact OE1-NH2 3.03Å
451E95.2Very high94.6Very high0 Ų037.5 Ų37.50%018%0.176CC..  trans-85.8-14.4-169.4-56.7-66.1176.400114.3H424 Y428 T449 P453 H454 R581 H582 I585H424-E451 HydrophobicContact CB-CG 4Å; Y428-E451 HydrophobicContact CD1-CB 4.18Å; Y428-E451 WeakPolarHBondContact CD1-O 3.35Å; Y428-E451 WeakPolarHBondContact O-CB 3.22Å; T449-E451 VanDerWaalsContact C-N 3.35Å; T449-E451 WeakPolarHBondContact OG1-CB 3.41Å; T449-E451 WeakPolarHBondContact OG1-CG 3.2Å; T449-E451 PolarHBondContact OG1-N 2.74Å; E451-P453 CarbonylContact O-C 3.57Å; E451-H454 CarbonylContact O-C 3.5Å; E451-H454 WeakPolarHBondContact O-CA 3.42Å; E451-H454 PolarHBondContact O-N 3.47Å; E451-R581 IonicContact OE1-CZ 2.67Å; E451-R581 IonicContact OE1-NE 2.68Å; E451-R581 PolarHBondContact OE1-NE 2.89Å; E451-R581 IonicContact OE1-NH2 3.24Å; E451-R581 PolarHBondContact OE1-NH2 2.99Å; E451-R581 IonicContact OE2-CZ 3.46Å; E451-R581 IonicContact OE2-NE 3.33Å; E451-R581 PolarHBondContact OE2-NE 3.28Å; E451-H582 PolarHBondContact O-CE1 2.89Å; E451-H582 PolarHBondContact O-NE2 3.16Å; E451-H582 IonicContact OE2-CD2 2.66Å; E451-H582 IonicContact OE2-NE2 2.66Å; E451-I585 HydrophobicContact CG-CD1 3.93Å
452Y96Very high94.5Very high1 Ų139.3 Ų39.30%0.00418%0.181CC..SBendtrans-106129-168.5-173.9-107000114Y428 H454 R461 R462 F464 L572Y428-Y452 AromaticContact CD1-CD2 3.84Å; Y428-Y452 HydrophobicContact CD1-CD2 3.84Å; Y428-Y452 AromaticContact CD2-CD2 3.4Å; Y428-Y452 HydrophobicContact CD2-CD2 3.4Å; Y428-Y452 VanDerWaalsContact CD2-CD2 3.4Å; Y428-Y452 HydrophobicContact CD2-CE2 4.05Å; Y428-Y452 HydrophobicContact CD2-CG 4.27Å; Y428-Y452 AromaticContact CE1-CD2 3.74Å; Y428-Y452 HydrophobicContact CE1-CD2 3.74Å; Y428-Y452 HydrophobicContact CE1-CE2 4.43Å; Y428-Y452 AromaticContact CE2-CD2 3.3Å; Y428-Y452 HydrophobicContact CE2-CD2 3.3Å; Y428-Y452 AromaticContact CE2-CE2 3.55Å; Y428-Y452 HydrophobicContact CE2-CE2 3.55Å; Y428-Y452 AromaticContact CG-CD2 3.66Å; Y428-Y452 HydrophobicContact CG-CD2 3.66Å; Y428-Y452 HydrophobicContact CG-CG 4.26Å; Y428-Y452 AromaticContact CZ-CD2 3.46Å; Y428-Y452 VanDerWaalsContact CZ-CD2 3.46Å; Y428-Y452 AromaticContact CZ-CE2 3.75Å; Y452-H454 VanDerWaalsContact C-N 3.29Å; Y452-R461 WeakPolarHBondContact O-CA 3.24Å; Y452-R462 HydrophobicContact CD1-CG 4.01Å; Y452-R462 VanDerWaalsContact CD1-O 3.31Å; Y452-R462 WeakPolarHBondContact CD1-O 3.45Å; Y452-R462 HydrophobicContact CE1-CG 3.67Å; Y452-R462 PolarHBondContact O-N 2.8Å; Y452-R462 PolarHBondContact OH-NE 2.82Å; Y452-R462 PolarHBondContact OH-NH2 2.92Å; Y452-F464 AromaticContact CD1-CD1 3.3Å; Y452-F464 HydrophobicContact CD1-CD1 3.3Å; Y452-F464 AromaticContact CD1-CE1 3.75Å; Y452-F464 HydrophobicContact CD1-CE1 3.75Å; Y452-F464 HydrophobicContact CD1-CG 4.32Å; Y452-F464 HydrophobicContact CD2-CD1 4.22Å; Y452-F464 HydrophobicContact CD2-CE1 4.05Å; Y452-F464 HydrophobicContact CE1-CB 4.08Å; Y452-F464 AromaticContact CE1-CD1 3.53Å; Y452-F464 HydrophobicContact CE1-CD1 3.53Å; Y452-F464 HydrophobicContact CE1-CE1 4.3Å; Y452-F464 HydrophobicContact CE1-CG 4.13Å; Y452-F464 HydrophobicContact CE2-CD1 4.44Å; Y452-F464 AromaticContact CG-CD1 3.7Å; Y452-F464 HydrophobicContact CG-CD1 3.7Å; Y452-F464 AromaticContact CG-CE1 3.63Å; Y452-F464 HydrophobicContact CG-CE1 3.63Å; Y452-L572 WeakPolarHBondContact CE2-O 3.2Å; Y452-L572 WeakPolarHBondContact OH-CA 3.45Å; Y452-L572 WeakPolarHBondContact OH-CB 3.29Å; Y452-L572 PolarHBondContact OH-N 3.47Å; Y452-L572 PolarHBondContact OH-O 3.04Å
453P92.3Very high94.5Very high13 Ų1339 Ų398%0.08418%0.18CC..SBendcis-73.5-18.7-8.232.2-34.2000113Y428 E451 Y460 Q574 H582Y428-P453 WeakPolarHBondContact CE1-O 3.35Å; E451-P453 CarbonylContact O-C 3.57Å; P453-Y460 WeakPolarHBondContact CD-O 3.19Å; P453-Q574 HydrophobicContact CB-CG 3.82Å; P453-H582 PolarHBondContact O-CE1 3.18Å
454H89.9Confident94.5Very high55 Ų5533.7 Ų33.726%0.25515%0.152SC..  trans-148158.7172.9-68.9-80.1000110.1E451 Y452 K456 D579 H582E451-H454 CarbonylContact O-C 3.5Å; E451-H454 WeakPolarHBondContact O-CA 3.42Å; E451-H454 PolarHBondContact O-N 3.47Å; Y452-H454 VanDerWaalsContact C-N 3.29Å; H454-K456 VanDerWaalsContact C-N 3.35Å; H454-K456 PolarHBondContact O-N 3.26Å; H454-D579 IonicContact CE1-OD2 3.48Å; H454-D579 IonicContact CG-OD2 3.37Å; H454-D579 IonicContact ND1-OD2 2.8Å; H454-D579 PolarHBondContact ND1-OD2 3.37Å; H454-H582 AromaticContact ND1-CE1 3.56Å
455L90.3Very high94.5Very high35 Ų3535.6 Ų35.618%0.18316%0.161CC..SBendtrans-60.3-43.6174.2-176.972.5000112.2E450 R461E450-L455 HydrophobicContact CB-CD1 4Å; E450-L455 HydrophobicContact CG-CD1 3.6Å; E450-L455 WeakPolarHBondContact O-CA 3.33Å; L455-R461 PolarHBondContact O-NE 3.11Å; L455-R461 VanDerWaalsContact O-NE 3.13Å; L455-R461 PolarHBondContact O-NH2 2.8Å
456K90Very high94.4Very high169 Ų16930.7 Ų30.774%0.73514%0.143SC*.SBendtrans-131.7145.5-179.6-69.2-171.9177-174.90110.8H454H454-K456 VanDerWaalsContact C-N 3.35Å; H454-K456 PolarHBondContact O-N 3.26Å
457P91.5Very high94.2Very high43 Ų4333.7 Ų33.728%0.27916%0.156SC..SBendcis-77.4146.1-5.333.2-35.4000112.4R459 Y460P457-R459 HydrophobicContact CB-CG 4.23Å; P457-R459 VanDerWaalsContact CB-NH1 3.34Å; P457-R459 HydrophobicContact CG-CG 4.32Å; P457-R459 PolarHBondContact O-N 3.44Å; P457-Y460 HydrophobicContact CG-CD2 3.36Å; P457-Y460 HydrophobicContact CG-CE2 3.47Å; P457-Y460 VanDerWaalsContact CG-CE2 3.47Å; P457-Y460 HydrophobicContact CG-CG 4.05Å; P457-Y460 PolarHBondContact O-N 2.79Å
458A90.1Very high94Very high31 Ų3140.4 Ų40.426%0.25619%0.192SC..G310 helixtrans-60.8-29.4-174.500000114Y460 R461A458-Y460 PolarHBondContact O-N 3.14Å; A458-Y460 VanDerWaalsContact O-N 3.14Å; A458-R461 VanDerWaalsContact O-CB 3.23Å; A458-R461 WeakPolarHBondContact O-CB 3.39Å; A458-R461 VanDerWaalsContact O-CG 3.29Å; A458-R461 WeakPolarHBondContact O-CG 3.44Å; A458-R461 PolarHBondContact O-N 2.98Å
459R90.6Very high94Very high75 Ų7540.4 Ų40.428%0.28319%0.192SC..G310 helixtrans-61.7-18.8178.367.8-167.5-178.2-100.20.1114.8E100 S101 P457E100-R459 WeakPolarHBondContact OE2-CD 3.06Å; E100-R459 IonicContact OE2-CZ 2.65Å; E100-R459 IonicContact OE2-NE 2.97Å; E100-R459 PolarHBondContact OE2-NE 3.32Å; E100-R459 IonicContact OE2-NH2 4Å; S101-R459 WeakPolarHBondContact OG-CB 3.41Å; P457-R459 HydrophobicContact CB-CG 4.23Å; P457-R459 VanDerWaalsContact CB-NH1 3.34Å; P457-R459 HydrophobicContact CG-CG 4.32Å; P457-R459 PolarHBondContact O-N 3.44Å
460Y91.7Very high94.1Very high111 Ų11141.9 Ų41.944%0.43520%0.199SC..G310 helixtrans-91-5.9174.7-62.1-25.4000113.6E100 P453 P457 A458 R462E100-Y460 HydrophobicContact CB-CE1 4.48Å; E100-Y460 HydrophobicContact CG-CE1 4.35Å; E100-Y460 PolarHBondContact OE1-OH 3.4Å; E100-Y460 WeakPolarHBondContact OE2-CE1 3.34Å; E100-Y460 PolarHBondContact OE2-OH 3.04Å; P453-Y460 WeakPolarHBondContact CD-O 3.19Å; P457-Y460 HydrophobicContact CG-CD2 3.36Å; P457-Y460 HydrophobicContact CG-CE2 3.47Å; P457-Y460 VanDerWaalsContact CG-CE2 3.47Å; P457-Y460 HydrophobicContact CG-CG 4.05Å; P457-Y460 PolarHBondContact O-N 2.79Å; A458-Y460 PolarHBondContact O-N 3.14Å; A458-Y460 VanDerWaalsContact O-N 3.14Å; Y460-R462 PolarHBondContact O-N 3.29Å
461R94.1Very high94.3Very high7 Ų741.4 Ų41.43%0.02620%0.197CC..  trans-61138.9177.2-65.3175.4-171.1172.22.3110.1R103 E450 Y452 L455 A458 P473 R474R103-R461 PolarHBondContact NH2-O 3.5Å; E450-R461 PolarHBondContact O-NE 3.35Å; Y452-R461 WeakPolarHBondContact O-CA 3.24Å; L455-R461 PolarHBondContact O-NE 3.11Å; L455-R461 VanDerWaalsContact O-NE 3.13Å; L455-R461 PolarHBondContact O-NH2 2.8Å; A458-R461 VanDerWaalsContact O-CB 3.23Å; A458-R461 WeakPolarHBondContact O-CB 3.39Å; A458-R461 VanDerWaalsContact O-CG 3.29Å; A458-R461 WeakPolarHBondContact O-CG 3.44Å; A458-R461 PolarHBondContact O-N 2.98Å; R461-P473 HydrophobicContact CB-CB 3.85Å; R461-R474 WeakPolarHBondContact CD-O 3.22Å; R461-R474 PolarHBondContact NH1-O 2.89Å
462R95.3Very high94.4Very high50 Ų5041.5 Ų41.519%0.18920%0.197CC..  trans-147.9167.6-179.152161.8-178-136.7-18.4111.2Y452 Y460 Y561 Q568Y452-R462 HydrophobicContact CD1-CG 4.01Å; Y452-R462 VanDerWaalsContact CD1-O 3.31Å; Y452-R462 WeakPolarHBondContact CD1-O 3.45Å; Y452-R462 HydrophobicContact CE1-CG 3.67Å; Y452-R462 PolarHBondContact O-N 2.8Å; Y452-R462 PolarHBondContact OH-NE 2.82Å; Y452-R462 PolarHBondContact OH-NH2 2.92Å; Y460-R462 PolarHBondContact O-N 3.29Å; R462-Y561 WeakPolarHBondContact CA-OH 3.38Å; R462-Q568 HydrophobicContact CB-CG 4.34Å
463G97Very high94.5Very high0 Ų041.7 Ų41.70%020%0.199CC..  trans-84.8172170.900000112.4V471 Y561 Q568G463-V471 CarbonylContact C-O 3.5Å; G463-V471 WeakPolarHBondContact CA-O 3.47Å; G463-Y561 PolarHBondContact N-OH 3.17Å; G463-Q568 CarbonylContact C-O 3.53Å
464F97.8Very high94.6Very high0 Ų041.1 Ų41.10%020%0.195CC..EExtended strand (participates in β ladder)trans-157.9164.3165.565.6-80.4000110.4Y428 V430 Y452 H466 V471 Q568 P571 W573Y428-F464 HydrophobicContact CD2-CE1 4.46Å; Y428-F464 HydrophobicContact CD2-CZ 4.3Å; V430-F464 HydrophobicContact CG2-CE2 4.19Å; V430-F464 HydrophobicContact CG2-CZ 4.29Å; Y452-F464 AromaticContact CD1-CD1 3.3Å; Y452-F464 HydrophobicContact CD1-CD1 3.3Å; Y452-F464 AromaticContact CD1-CE1 3.75Å; Y452-F464 HydrophobicContact CD1-CE1 3.75Å; Y452-F464 HydrophobicContact CD1-CG 4.32Å; Y452-F464 HydrophobicContact CD2-CD1 4.22Å; Y452-F464 HydrophobicContact CD2-CE1 4.05Å; Y452-F464 HydrophobicContact CE1-CB 4.08Å; Y452-F464 AromaticContact CE1-CD1 3.53Å; Y452-F464 HydrophobicContact CE1-CD1 3.53Å; Y452-F464 HydrophobicContact CE1-CE1 4.3Å; Y452-F464 HydrophobicContact CE1-CG 4.13Å; Y452-F464 HydrophobicContact CE2-CD1 4.44Å; Y452-F464 AromaticContact CG-CD1 3.7Å; Y452-F464 HydrophobicContact CG-CD1 3.7Å; Y452-F464 AromaticContact CG-CE1 3.63Å; Y452-F464 HydrophobicContact CG-CE1 3.63Å; F464-H466 HydrophobicContact CD2-CB 3.94Å; F464-H466 HydrophobicContact CE2-CB 3.72Å; F464-V471 HydrophobicContact CD1-CB 3.79Å; F464-V471 HydrophobicContact CD1-CG1 4.03Å; F464-V471 HydrophobicContact CD1-CG2 4.3Å; F464-V471 HydrophobicContact CD2-CB 4.44Å; F464-V471 HydrophobicContact CD2-CG2 4.16Å; F464-V471 HydrophobicContact CE1-CB 3.61Å; F464-V471 HydrophobicContact CE1-CG1 3.48Å; F464-V471 VanDerWaalsContact CE1-CG1 3.48Å; F464-V471 HydrophobicContact CE1-CG2 3.9Å; F464-V471 HydrophobicContact CE2-CB 4.27Å; F464-V471 HydrophobicContact CE2-CG2 3.71Å; F464-V471 HydrophobicContact CG-CB 4.23Å; F464-V471 HydrophobicContact CG-CG2 4.45Å; F464-V471 HydrophobicContact CZ-CB 3.87Å; F464-V471 HydrophobicContact CZ-CG1 3.92Å; F464-V471 HydrophobicContact CZ-CG2 3.59Å; F464-V471 PolarHBondContact N-O 3.14Å; F464-V471 VanDerWaalsContact N-O 3.07Å; F464-V471 WeakPolarHBondContact O-CB 3.31Å; F464-V471 PolarHBondContact O-N 3.31Å; F464-Q568 VanDerWaalsContact CA-O 3.29Å; F464-Q568 WeakPolarHBondContact CA-O 3.41Å; F464-P571 HydrophobicContact CB-CB 4Å; F464-P571 HydrophobicContact CD2-CB 4.01Å; F464-P571 HydrophobicContact CG-CB 4.25Å; F464-W573 HydrophobicContact CD2-CH2 4.11Å; F464-W573 HydrophobicContact CD2-CZ3 4.2Å; F464-W573 AromaticContact CE2-CH2 3.99Å; F464-W573 HydrophobicContact CE2-CH2 3.99Å; F464-W573 AromaticContact CE2-CZ3 3.94Å; F464-W573 HydrophobicContact CE2-CZ3 3.94Å
465I97.5Very high94.9Very high45 Ų4538.9 Ų38.923%0.23119%0.185CC..EExtended strand (participates in β ladder)trans-113123.7172.4-56.9-178.6000108.7I469 M470 F562 K569I465-I469 WeakPolarHBondContact CA-O 3.39Å; I465-M470 HydrophobicContact CD1-CG 4.03Å; I465-M470 HydrophobicContact CG1-CG 4.03Å; I465-F562 HydrophobicContact CD1-CD1 4.43Å; I465-F562 HydrophobicContact CD1-CD2 4.3Å; I465-F562 HydrophobicContact CD1-CE1 4.48Å; I465-F562 HydrophobicContact CD1-CE2 4.38Å; I465-F562 HydrophobicContact CD1-CG 4.34Å; I465-F562 HydrophobicContact CD1-CZ 4.46Å; I465-F562 HydrophobicContact CG1-CD1 4.46Å; I465-F562 HydrophobicContact CG1-CD2 4.41Å; I465-F562 HydrophobicContact CG1-CE1 4.02Å; I465-F562 HydrophobicContact CG1-CE2 4Å; I465-F562 HydrophobicContact CG1-CZ 3.77Å; I465-K569 HydrophobicContact CD1-CB 4.1Å; I465-K569 HydrophobicContact CD1-CD 4.39Å; I465-K569 HydrophobicContact CD1-CG 3.86Å; I465-K569 HydrophobicContact CG1-CB 4.43Å; I465-K569 PolarHBondContact N-O 3.13Å
466H96.2Very high95Very high1 Ų139.6 Ų39.61%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-131.5131.5173.4-175.966.2000110.4Y435 F464 N468 I469 W573 H643Y435-H466 AromaticContact CD1-CD2 3.92Å; Y435-H466 HydrophobicContact CE1-CB 4.07Å; Y435-H466 AromaticContact CE1-CD2 3.97Å; F464-H466 HydrophobicContact CD2-CB 3.94Å; F464-H466 HydrophobicContact CE2-CB 3.72Å; H466-N468 PolarHBondContact O-N 3.15Å; H466-N468 VanDerWaalsContact O-N 3.16Å; H466-I469 PolarHBondContact N-O 2.82Å; H466-I469 PolarHBondContact O-N 2.77Å; H466-W573 HydrophobicContact CB-CH2 4.25Å; H466-W573 AromaticContact ND1-CH2 3.86Å; H466-W573 AromaticContact ND1-CZ2 3.9Å; H466-H643 PolarHBondContact CE1-O 2.9Å; H466-H643 PolarHBondContact ND1-O 2.83Å
467K94.1Very high95.1Very high63 Ų6331.8 Ų31.827%0.27416%0.157SC..THydrogen-bonded Turntrans4744.7-176.1-71.4-168.9169.9-155.80112.5V432 E436 K439 I469V432-K467 HydrophobicContact CG1-CD 4.42Å; E436-K467 VanDerWaalsContact OE1-CD 3.27Å; E436-K467 WeakPolarHBondContact OE1-CD 3.23Å; E436-K467 WeakPolarHBondContact OE1-CE 3.34Å; E436-K467 IonicContact OE1-NZ 3.3Å; E436-K467 PolarHBondContact OE1-NZ 3Å; K439-K467 WeakPolarHBondContact CE-O 3.47Å; K439-K467 PolarHBondContact NZ-O 2.93Å; K467-I469 PolarHBondContact O-N 2.77Å; K467-I469 VanDerWaalsContact O-N 3.13Å
468N95.1Very high94.9Very high141 Ų14131.1 Ų31.175%0.75416%0.158SC*.THydrogen-bonded Turntrans60.614.6-178.6-52.9-27.1000115.4H466H466-N468 PolarHBondContact O-N 3.15Å; H466-N468 VanDerWaalsContact O-N 3.16Å
469I98.3Very high94.9Very high0 Ų030.5 Ų30.50%015%0.15CC..EExtended strand (participates in β ladder)trans-101.5125.8168-62.5-176.4000107.6Y435 W438 K439 I444 R445 T447 I465 H466 K467Y435-I469 HydrophobicContact CD1-CB 3.94Å; Y435-I469 HydrophobicContact CD1-CD1 3.78Å; Y435-I469 HydrophobicContact CD1-CG1 4.2Å; Y435-I469 HydrophobicContact CD1-CG2 4.45Å; Y435-I469 HydrophobicContact CE1-CB 4.03Å; Y435-I469 HydrophobicContact CE1-CG2 4.23Å; Y435-I469 HydrophobicContact CG-CD1 4.4Å; W438-I469 HydrophobicContact CB-CD1 4.47Å; W438-I469 HydrophobicContact CE3-CD1 4.3Å; K439-I469 HydrophobicContact CG-CD1 4.19Å; I444-I469 HydrophobicContact CB-CD1 4.42Å; I444-I469 HydrophobicContact CG2-CD1 4.35Å; I444-I469 HydrophobicContact CG2-CG2 4.44Å; R445-I469 WeakPolarHBondContact O-CA 3.35Å; T447-I469 HydrophobicContact CG2-CG2 3.99Å; I465-I469 WeakPolarHBondContact CA-O 3.39Å; H466-I469 PolarHBondContact N-O 2.82Å; H466-I469 PolarHBondContact O-N 2.77Å; K467-I469 PolarHBondContact O-N 2.77Å; K467-I469 VanDerWaalsContact O-N 3.13Å
470M98.6Very high94.7Very high30 Ų3031 Ų3115%0.14816%0.155CC..EExtended strand (participates in β ladder)trans-80.1118.8175.1-78.1-178.7-7000109.4R445 V446 T447 I465 A558 R559 F562R445-M470 PolarHBondContact O-N 2.85Å; V446-M470 CarbonylContact C-O 3.53Å; V446-M470 VanDerWaalsContact CA-O 3.25Å; V446-M470 WeakPolarHBondContact CA-O 3.44Å; V446-M470 HydrophobicContact CG2-CB 4.24Å; V446-M470 HydrophobicContact CG2-CE 3.9Å; T447-M470 PolarHBondContact N-O 3Å; I465-M470 HydrophobicContact CD1-CG 4.03Å; I465-M470 HydrophobicContact CG1-CG 4.03Å; M470-A558 HydrophobicContact CB-CB 4.02Å; M470-A558 HydrophobicContact CE-CB 3.78Å; M470-A558 HydrophobicContact SD-CB 3.76Å; M470-R559 HydrophobicContact CE-CG 4.3Å; M470-F562 HydrophobicContact CB-CD2 4.26Å; M470-F562 HydrophobicContact CB-CE2 3.66Å; M470-F562 HydrophobicContact CG-CD2 3.78Å; M470-F562 HydrophobicContact CG-CE2 3.6Å; M470-F562 HydrophobicContact SD-CD2 3.7Å; M470-F562 HydrophobicContact SD-CE2 4.1Å
471V98.6Very high94.3Very high0 Ų029.8 Ų29.80%016%0.159CC..EExtended strand (participates in β ladder)trans-102.2122.2177.5-173.50000108.6V427 Y435 T447 T449 G463 F464V427-V471 HydrophobicContact CG1-CG1 3.76Å; Y435-V471 HydrophobicContact CE1-CG2 4.29Å; Y435-V471 WeakPolarHBondContact OH-CG2 3.33Å; T447-V471 HydrophobicContact CG2-CB 4.25Å; T447-V471 HydrophobicContact CG2-CG1 4.13Å; T447-V471 HydrophobicContact CG2-CG2 3.75Å; T447-V471 WeakPolarHBondContact O-CA 3.44Å; T449-V471 HydrophobicContact CG2-CG1 3.72Å; G463-V471 CarbonylContact C-O 3.5Å; G463-V471 WeakPolarHBondContact CA-O 3.47Å; F464-V471 HydrophobicContact CD1-CB 3.79Å; F464-V471 HydrophobicContact CD1-CG1 4.03Å; F464-V471 HydrophobicContact CD1-CG2 4.3Å; F464-V471 HydrophobicContact CD2-CB 4.44Å; F464-V471 HydrophobicContact CD2-CG2 4.16Å; F464-V471 HydrophobicContact CE1-CB 3.61Å; F464-V471 HydrophobicContact CE1-CG1 3.48Å; F464-V471 VanDerWaalsContact CE1-CG1 3.48Å; F464-V471 HydrophobicContact CE1-CG2 3.9Å; F464-V471 HydrophobicContact CE2-CB 4.27Å; F464-V471 HydrophobicContact CE2-CG2 3.71Å; F464-V471 HydrophobicContact CG-CB 4.23Å; F464-V471 HydrophobicContact CG-CG2 4.45Å; F464-V471 HydrophobicContact CZ-CB 3.87Å; F464-V471 HydrophobicContact CZ-CG1 3.92Å; F464-V471 HydrophobicContact CZ-CG2 3.59Å; F464-V471 PolarHBondContact N-O 3.14Å; F464-V471 VanDerWaalsContact N-O 3.07Å; F464-V471 WeakPolarHBondContact O-CB 3.31Å; F464-V471 PolarHBondContact O-N 3.31Å
472L98.2Very high93.7Very high1 Ų134.5 Ų34.51%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-102.5146.1-179.4-57.2-177.8000112V446 T447 S448 T449 R474 I516 A558 Y561 F562V446-L472 HydrophobicContact CG1-CD1 3.94Å; V446-L472 HydrophobicContact CG1-CG 4.12Å; T447-L472 PolarHBondContact O-N 3.09Å; S448-L472 CarbonylContact C-O 3.47Å; S448-L472 WeakPolarHBondContact CA-O 3.19Å; S448-L472 VanDerWaalsContact CB-O 3.3Å; S448-L472 WeakPolarHBondContact CB-O 3.38Å; T449-L472 PolarHBondContact N-O 3.03Å; L472-R474 PolarHBondContact O-N 2.95Å; L472-I516 HydrophobicContact CB-CD1 3.52Å; L472-I516 HydrophobicContact CD1-CD1 3.6Å; L472-I516 HydrophobicContact CG-CD1 4.22Å; L472-A558 HydrophobicContact CD1-CB 3.83Å; L472-A558 HydrophobicContact CD2-CB 4Å; L472-A558 HydrophobicContact CG-CB 4.18Å; L472-Y561 HydrophobicContact CD2-CD1 3.83Å; L472-Y561 HydrophobicContact CD2-CD2 4.38Å; L472-Y561 HydrophobicContact CD2-CG 3.71Å; L472-F562 HydrophobicContact CD2-CE2 3.96Å
473P96.8Very high93.1Very high6 Ų633.5 Ų33.54%0.03918%0.181CC..EExtended strand (participates in β ladder)trans-72.5125.9174.830.3-33.1000110.5R461 Y561R461-P473 HydrophobicContact CB-CB 3.85Å; P473-Y561 HydrophobicContact CG-CE2 3.63Å; P473-Y561 WeakPolarHBondContact CG-OH 3.49Å
474R95.6Very high92.5Very high0 Ų034.6 Ų34.60%019%0.187CC..EExtended strand (participates in β ladder)trans-95.9149.9176.1-152.6171.4-175.4-174.2-13.1110.7D308 D310 V420 H424 T449 E450 R461 L472 I516 M518D308-R474 IonicContact OD2-CZ 3.2Å; D308-R474 IonicContact OD2-NE 3.26Å; D308-R474 PolarHBondContact OD2-NE 3.17Å; D308-R474 IonicContact OD2-NH2 3.87Å; D310-R474 IonicContact OD1-CZ 2.6Å; D310-R474 IonicContact OD1-NH1 3.46Å; D310-R474 PolarHBondContact OD1-NH1 3.09Å; D310-R474 IonicContact OD1-NH2 3.69Å; D310-R474 PolarHBondContact OD1-NH2 2.96Å; D310-R474 IonicContact OD2-CZ 3.81Å; D310-R474 IonicContact OD2-NH1 3.02Å; D310-R474 PolarHBondContact OD2-NH1 3.33Å; D310-R474 IonicContact OD2-NH2 3.81Å; D310-R474 PolarHBondContact OD2-NH2 3.03Å; D310-R474 VanDerWaalsContact OD2-NH2 3.08Å; V420-R474 VanDerWaalsContact CG1-NH1 3.34Å; H424-R474 PolarHBondContact CE1-NH1 3.48Å; T449-R474 PolarHBondContact O-N 2.98Å; E450-R474 HydrophobicContact CB-CB 4.48Å; R461-R474 WeakPolarHBondContact CD-O 3.22Å; R461-R474 PolarHBondContact NH1-O 2.89Å; L472-R474 PolarHBondContact O-N 2.95Å; R474-I516 CarbonylContact C-O 3.49Å; R474-I516 HydrophobicContact CG-CB 4.19Å; R474-I516 HydrophobicContact CG-CG2 3.92Å; R474-I516 VanDerWaalsContact CG-O 3.29Å; R474-I516 WeakPolarHBondContact CG-O 3.42Å; R474-M518 HydrophobicContact CG-CB 4.21Å
475Q95.1Very high92Very high8 Ų838.4 Ų38.44%0.03720%0.203CC..EExtended strand (participates in β ladder)trans-114.4145.7-176.7-49.9-51.3-12.700111.5T508 I516 F517 M518Q475-T508 HydrophobicContact CB-CG2 4.18Å; Q475-T508 HydrophobicContact CG-CG2 4.05Å; Q475-I516 PolarHBondContact N-O 3.25Å; Q475-F517 HydrophobicContact CB-CD1 3.87Å; Q475-F517 HydrophobicContact CB-CE1 3.92Å; Q475-M518 PolarHBondContact O-N 2.85Å
476T92.2Very high91.5Very high51 Ų5139.4 Ų39.431%0.31321%0.205SC..  trans-86.714817150.10000109.6E450E450-T476 VanDerWaalsContact OE2-CG2 3.24Å; E450-T476 WeakPolarHBondContact OE2-CG2 3.28Å
477C92.1Very high91.2Very high4 Ų448.1 Ų48.13%0.02724%0.242CC..  trans-1208.6-178.261.70000114.6L479 L505 F517 M518 F534C477-L479 PolarHBondContact O-N 2.64Å; C477-L505 HydrophobicContact CB-CD1 4Å; C477-L505 HydrophobicContact CB-CD2 4.49Å; C477-F517 HydrophobicContact CB-CD1 3.9Å; C477-M518 PolarHBondContact SG-O 3.41Å; C477-F534 HydrophobicContact CB-CZ 4.43Å
478G88.3Confident90.9Very high29 Ų2951.8 Ų51.830%0.29926%0.26SS..SBendtrans81-4.9-174.900000114F480 Y489G478-F480 WeakPolarHBondContact O-CD2 3.43Å; G478-F480 VanDerWaalsContact O-CE2 3.28Å; G478-F480 WeakPolarHBondContact O-CE2 3.38Å; G478-Y489 WeakPolarHBondContact O-CE2 3.18Å; G478-Y489 PolarHBondContact O-OH 3.41Å
479L90.3Very high90.7Very high18 Ų1846 Ų469%0.09423%0.228CC..  trans-88138.6170.2-54.2178.9000110C477 L496 T519 N523 L529C477-L479 PolarHBondContact O-N 2.64Å; L479-L496 HydrophobicContact CD2-CD1 4.33Å; L479-T519 HydrophobicContact CD1-CG2 4.07Å; L479-N523 HydrophobicContact CD1-CB 4.35Å; L479-L529 HydrophobicContact CD2-CB 4.01Å
480F86.1Confident90.2Very high85 Ų8549.2 Ų49.237%0.37325%0.249SC..  trans-100.9164.3-174.8-62.4-101.6000111G478 H482 I484 P490 N523G478-F480 WeakPolarHBondContact O-CD2 3.43Å; G478-F480 VanDerWaalsContact O-CE2 3.28Å; G478-F480 WeakPolarHBondContact O-CE2 3.38Å; F480-H482 VanDerWaalsContact C-N 3.32Å; F480-H482 PolarHBondContact O-N 3.14Å; F480-I484 HydrophobicContact CB-CD1 3.55Å; F480-I484 HydrophobicContact CD2-CD1 3.17Å; F480-I484 HydrophobicContact CE2-CD1 3.98Å; F480-I484 HydrophobicContact CG-CD1 3.53Å; F480-P490 HydrophobicContact CE2-CG 3.75Å; F480-P490 HydrophobicContact CZ-CB 4.49Å; F480-P490 HydrophobicContact CZ-CG 3.95Å; F480-N523 PolarHBondContact O-ND2 3.45Å
481T82.3Confident89.6Confident86 Ų8651.2 Ų51.253%0.52828%0.277SS..SBendtrans-69.6-29-178.661.90000113.2S522T481-S522 PolarHBondContact O-OG 3.2Å
482H82.6Confident89.2Confident106 Ų10652.3 Ų52.349%0.49129%0.288SS..SBendtrans-90.7154.8175.559.9-80.7000110.7F480 I484F480-H482 VanDerWaalsContact C-N 3.32Å; F480-H482 PolarHBondContact O-N 3.14Å; H482-I484 PolarHBondContact O-N 2.77Å
483T82.9Confident88.7Confident30 Ų3054 Ų5418%0.18430%0.299CS..  trans-60129.7175-510000110.2T319 F485T319-T483 WeakPolarHBondContact CB-OG1 3.15Å; T319-T483 WeakPolarHBondContact CG2-OG1 3.37Å; T483-F485 HydrophobicContact CG2-CE2 4.38Å; T483-F485 HydrophobicContact CG2-CZ 4.31Å
484I83.8Confident88.4Confident23 Ų2361.8 Ų61.812%0.11833%0.333CS..  trans-129.7129.1174.1-68.5174.7000106.3F480 H482 Y489 P490 L529F480-I484 HydrophobicContact CB-CD1 3.55Å; F480-I484 HydrophobicContact CD2-CD1 3.17Å; F480-I484 HydrophobicContact CE2-CD1 3.98Å; F480-I484 HydrophobicContact CG-CD1 3.53Å; H482-I484 PolarHBondContact O-N 2.77Å; I484-Y489 HydrophobicContact CG2-CD2 4.17Å; I484-P490 HydrophobicContact CD1-CG 4.33Å; I484-L529 HydrophobicContact CB-CD1 4.45Å; I484-L529 HydrophobicContact CG2-CD1 4.3Å; I484-L529 WeakPolarHBondContact O-CD1 3.34Å
485F88.1Confident88.3Confident79 Ų7965.7 Ų65.735%0.34635%0.351SS..  trans-83149.4172.7-63.5-83.4000110T483 K487 E488 Y489 N526 D527T483-F485 HydrophobicContact CG2-CE2 4.38Å; T483-F485 HydrophobicContact CG2-CZ 4.31Å; F485-K487 PolarHBondContact O-N 2.86Å; F485-K487 VanDerWaalsContact O-N 3.15Å; F485-E488 HydrophobicContact CB-CB 4.48Å; F485-E488 HydrophobicContact CB-CG 4.44Å; F485-E488 CarbonylContact O-C 3.6Å; F485-E488 WeakPolarHBondContact O-CA 3.3Å; F485-E488 PolarHBondContact O-N 2.87Å; F485-Y489 PolarHBondContact O-N 3.39Å; F485-Y489 VanDerWaalsContact O-N 3.08Å; F485-N526 HydrophobicContact CE1-CB 3.86Å; F485-D527 WeakPolarHBondContact CA-OD2 3.43Å; F485-D527 WeakPolarHBondContact CB-OD2 3.42Å
486Y87.1Confident88.2Confident67 Ų6765.3 Ų65.326%0.26335%0.349SS..G310 helixtrans-53.2-42.3-175.9-176.4-117.4000112.4E488 Y489 P493 L496 D497 D527 L529 Y532Y486-E488 VanDerWaalsContact C-N 3.26Å; Y486-E488 PolarHBondContact O-N 3.32Å; Y486-Y489 WeakPolarHBondContact O-CB 3.44Å; Y486-Y489 PolarHBondContact O-N 3.33Å; Y486-P493 HydrophobicContact CD1-CB 3.89Å; Y486-P493 HydrophobicContact CD1-CG 4.23Å; Y486-P493 HydrophobicContact CD2-CB 4.05Å; Y486-P493 HydrophobicContact CE1-CB 3.44Å; Y486-P493 VanDerWaalsContact CE1-CB 3.44Å; Y486-P493 HydrophobicContact CE1-CG 4.07Å; Y486-P493 HydrophobicContact CE2-CB 3.6Å; Y486-P493 HydrophobicContact CG-CB 4.18Å; Y486-P493 WeakPolarHBondContact O-CG 3.16Å; Y486-L496 HydrophobicContact CD2-CD2 4.43Å; Y486-L496 HydrophobicContact CE2-CD2 4.41Å; Y486-D497 PolarHBondContact OH-OD2 2.9Å; Y486-D527 PolarHBondContact N-OD2 2.7Å; Y486-L529 HydrophobicContact CD2-CD2 3.82Å; Y486-L529 HydrophobicContact CG-CD2 4.3Å; Y486-Y532 HydrophobicContact CE2-CE1 4.07Å
487K88.6Confident88.2Confident183 Ų18364.4 Ų64.480%0.79634%0.342SS*.G310 helixtrans-67.9-24.3179.4-67.7-178.5-178.8172.60113.8F485F485-K487 PolarHBondContact O-N 2.86Å; F485-K487 VanDerWaalsContact O-N 3.15Å
488E88.7Confident88.2Confident140 Ų14070.2 Ų70.265%0.65437%0.367SS*.G310 helixtrans-1055.4-175.3-60.2-179.9164.700112.2F485 Y486F485-E488 HydrophobicContact CB-CB 4.48Å; F485-E488 HydrophobicContact CB-CG 4.44Å; F485-E488 CarbonylContact O-C 3.6Å; F485-E488 WeakPolarHBondContact O-CA 3.3Å; F485-E488 PolarHBondContact O-N 2.87Å; Y486-E488 VanDerWaalsContact C-N 3.26Å; Y486-E488 PolarHBondContact O-N 3.32Å
489Y91.1Very high88.5Confident21 Ų2169.7 Ų69.78%0.08236%0.359CS..SBendtrans-52.2135.6178.3-171.8-91.3000110.6G478 I484 F485 Y486 G491 G492 E495 L496 L529G478-Y489 WeakPolarHBondContact O-CE2 3.18Å; G478-Y489 PolarHBondContact O-OH 3.41Å; I484-Y489 HydrophobicContact CG2-CD2 4.17Å; F485-Y489 PolarHBondContact O-N 3.39Å; F485-Y489 VanDerWaalsContact O-N 3.08Å; Y486-Y489 WeakPolarHBondContact O-CB 3.44Å; Y486-Y489 PolarHBondContact O-N 3.33Å; Y489-G491 PolarHBondContact O-N 3.47Å; Y489-G491 VanDerWaalsContact O-N 3.12Å; Y489-G492 WeakPolarHBondContact CD1-O 3.31Å; Y489-G492 VanDerWaalsContact O-CA 3.29Å; Y489-G492 WeakPolarHBondContact O-CA 3.4Å; Y489-G492 PolarHBondContact O-N 2.77Å; Y489-E495 HydrophobicContact CD1-CB 4.45Å; Y489-E495 HydrophobicContact CE1-CB 4.23Å; Y489-L496 HydrophobicContact CD1-CB 4.04Å; Y489-L496 HydrophobicContact CD2-CB 4.27Å; Y489-L496 HydrophobicContact CD2-CD2 4.35Å; Y489-L496 HydrophobicContact CE1-CB 3.86Å; Y489-L496 HydrophobicContact CE2-CB 4.1Å; Y489-L496 HydrophobicContact CE2-CD1 4.04Å; Y489-L496 HydrophobicContact CE2-CD2 4.34Å; Y489-L496 HydrophobicContact CE2-CG 4.39Å; Y489-L496 HydrophobicContact CG-CB 4.23Å; Y489-L529 HydrophobicContact CD2-CD1 4.48Å
490P87.6Confident88.8Confident67 Ų6768.9 Ų68.944%0.43536%0.355SS..THydrogen-bonded Turntrans-56.5119-178.9-28.936.8000112.3F480 I484 G492F480-P490 HydrophobicContact CE2-CG 3.75Å; F480-P490 HydrophobicContact CZ-CB 4.49Å; F480-P490 HydrophobicContact CZ-CG 3.95Å; I484-P490 HydrophobicContact CD1-CG 4.33Å; P490-G492 VanDerWaalsContact C-N 3.33Å
491G86.1Confident89.2Confident71 Ų7169.6 Ų69.673%0.73236%0.359SS*.THydrogen-bonded Turntrans860.4-173.400000114.8Y489 E495Y489-G491 PolarHBondContact O-N 3.47Å; Y489-G491 VanDerWaalsContact O-N 3.12Å; G491-E495 WeakPolarHBondContact O-CG 3.36Å
492G89.5Confident89.6Confident23 Ų2366 Ų6624%0.23734%0.339CS..  trans90.8165.1179.700000113.5Y489 P490 K494 E495Y489-G492 WeakPolarHBondContact CD1-O 3.31Å; Y489-G492 VanDerWaalsContact O-CA 3.29Å; Y489-G492 WeakPolarHBondContact O-CA 3.4Å; Y489-G492 PolarHBondContact O-N 2.77Å; P490-G492 VanDerWaalsContact C-N 3.33Å; G492-K494 PolarHBondContact O-N 2.89Å; G492-K494 VanDerWaalsContact O-N 3.12Å; G492-E495 PolarHBondContact O-N 3.02Å
493P88.9Confident90.2Very high36 Ų3661.8 Ų61.823%0.23432%0.324CS..Hα-helixtrans-57.4-32.1-175.8-10.410.5000114.4Y486 E495 L496 D497Y486-P493 HydrophobicContact CD1-CB 3.89Å; Y486-P493 HydrophobicContact CD1-CG 4.23Å; Y486-P493 HydrophobicContact CD2-CB 4.05Å; Y486-P493 HydrophobicContact CE1-CB 3.44Å; Y486-P493 VanDerWaalsContact CE1-CB 3.44Å; Y486-P493 HydrophobicContact CE1-CG 4.07Å; Y486-P493 HydrophobicContact CE2-CB 3.6Å; Y486-P493 HydrophobicContact CG-CB 4.18Å; Y486-P493 WeakPolarHBondContact O-CG 3.16Å; P493-E495 PolarHBondContact O-N 2.66Å; P493-L496 PolarHBondContact O-N 3.24Å; P493-L496 VanDerWaalsContact O-N 3.16Å; P493-D497 PolarHBondContact O-N 3.18Å
494K90.6Very high90.7Very high171 Ų17166.6 Ų66.674%0.74335%0.345SS*.Hα-helixtrans-62-25.7177.9-66.7-172.7178.6-177.30113.5G492 K498G492-K494 PolarHBondContact O-N 2.89Å; G492-K494 VanDerWaalsContact O-N 3.12Å; K494-K498 WeakPolarHBondContact O-CB 3.36Å; K494-K498 PolarHBondContact O-N 3.19Å
495E92.1Very high91.3Very high81 Ų8165.6 Ų65.638%0.37934%0.34SS..Hα-helixtrans-74.1-33.8177.7-72.3-61.313700111.9Y489 G491 G492 P493 K498 S499Y489-E495 HydrophobicContact CD1-CB 4.45Å; Y489-E495 HydrophobicContact CE1-CB 4.23Å; G491-E495 WeakPolarHBondContact O-CG 3.36Å; G492-E495 PolarHBondContact O-N 3.02Å; P493-E495 PolarHBondContact O-N 2.66Å; E495-K498 IonicContact OE1-NZ 3.61Å; E495-K498 IonicContact OE2-NZ 3.49Å; E495-S499 PolarHBondContact O-N 3.09Å
496L92.6Very high91.7Very high0 Ų061.8 Ų61.80%032%0.323CS..Hα-helixtrans-63.7-49.2170.4-18058.4000110.4L479 Y486 Y489 P493 K498 S499 I500 L529 Y532L479-L496 HydrophobicContact CD2-CD1 4.33Å; Y486-L496 HydrophobicContact CD2-CD2 4.43Å; Y486-L496 HydrophobicContact CE2-CD2 4.41Å; Y489-L496 HydrophobicContact CD1-CB 4.04Å; Y489-L496 HydrophobicContact CD2-CB 4.27Å; Y489-L496 HydrophobicContact CD2-CD2 4.35Å; Y489-L496 HydrophobicContact CE1-CB 3.86Å; Y489-L496 HydrophobicContact CE2-CB 4.1Å; Y489-L496 HydrophobicContact CE2-CD1 4.04Å; Y489-L496 HydrophobicContact CE2-CD2 4.34Å; Y489-L496 HydrophobicContact CE2-CG 4.39Å; Y489-L496 HydrophobicContact CG-CB 4.23Å; P493-L496 PolarHBondContact O-N 3.24Å; P493-L496 VanDerWaalsContact O-N 3.16Å; L496-K498 VanDerWaalsContact C-N 3.32Å; L496-K498 PolarHBondContact O-N 3.17Å; L496-S499 WeakPolarHBondContact O-CB 3.16Å; L496-S499 PolarHBondContact O-N 3.49Å; L496-S499 VanDerWaalsContact O-N 3.11Å; L496-I500 HydrophobicContact CD1-CD1 4.08Å; L496-I500 HydrophobicContact CG-CD1 3.95Å; L496-I500 WeakPolarHBondContact O-CG1 3.29Å; L496-I500 PolarHBondContact O-N 2.83Å; L496-I500 VanDerWaalsContact O-N 3.1Å; L496-L529 HydrophobicContact CD2-CD2 4.36Å; L496-Y532 HydrophobicContact CD2-CD1 4.1Å; L496-Y532 HydrophobicContact CD2-CE1 4.25Å
497D92.9Very high92.2Very high32 Ų3259.1 Ų59.117%0.17131%0.313CS..Hα-helixtrans-58.1-44.3177.4-70.1-21.1000111.8Y486 P493 S499 I500 Q501 Y532Y486-D497 PolarHBondContact OH-OD2 2.9Å; P493-D497 PolarHBondContact O-N 3.18Å; D497-S499 VanDerWaalsContact C-N 3.32Å; D497-S499 PolarHBondContact O-N 2.63Å; D497-I500 PolarHBondContact O-N 2.94Å; D497-I500 VanDerWaalsContact O-N 3.16Å; D497-Q501 VanDerWaalsContact O-CB 3.28Å; D497-Q501 WeakPolarHBondContact O-CB 3.3Å; D497-Q501 WeakPolarHBondContact O-CG 3.43Å; D497-Q501 PolarHBondContact O-N 3.42Å; D497-Y532 WeakPolarHBondContact OD1-CE1 3.46Å; D497-Y532 PolarHBondContact OD1-OH 2.8Å
498K92.9Very high92.5Very high126 Ų12651.4 Ų51.455%0.54828%0.281SS..Hα-helixtrans-62.2-37.6177-178.5-175.9173.6-166.80112.2K494 E495 L496 I500 G503K494-K498 WeakPolarHBondContact O-CB 3.36Å; K494-K498 PolarHBondContact O-N 3.19Å; E495-K498 IonicContact OE1-NZ 3.61Å; E495-K498 IonicContact OE2-NZ 3.49Å; L496-K498 VanDerWaalsContact C-N 3.32Å; L496-K498 PolarHBondContact O-N 3.17Å; K498-I500 VanDerWaalsContact C-N 3.32Å; K498-G503 WeakPolarHBondContact O-CA 3.17Å; K498-G503 PolarHBondContact O-N 2.84Å
499S94.8Very high92.8Very high19 Ų1944.9 Ų44.913%0.13325%0.251CS..Hα-helixtrans-63-40.1174.7-171.60000111.9E495 L496 D497 G503 E504 L505 F506E495-S499 PolarHBondContact O-N 3.09Å; L496-S499 WeakPolarHBondContact O-CB 3.16Å; L496-S499 PolarHBondContact O-N 3.49Å; L496-S499 VanDerWaalsContact O-N 3.11Å; D497-S499 VanDerWaalsContact C-N 3.32Å; D497-S499 PolarHBondContact O-N 2.63Å; S499-G503 CarbonylContact O-C 3.49Å; S499-G503 VanDerWaalsContact O-C 3.26Å; S499-G503 WeakPolarHBondContact O-CA 3.24Å; S499-G503 PolarHBondContact O-N 3.06Å; S499-E504 PolarHBondContact O-N 2.86Å; S499-L505 PolarHBondContact O-N 3.24Å; S499-L505 WeakPolarHBondContact OG-CB 3.27Å; S499-L505 PolarHBondContact OG-N 2.01Å; S499-F506 PolarHBondContact O-N 3.16Å
500I95.9Very high93.1Very high1 Ų144 Ų441%0.00525%0.247CC..Hα-helixtrans-74.8-42.3179.6-63.9162.2000111.9L496 D497 K498 G502 L505 F506 Y532 T533 N536 L537L496-I500 HydrophobicContact CD1-CD1 4.08Å; L496-I500 HydrophobicContact CG-CD1 3.95Å; L496-I500 WeakPolarHBondContact O-CG1 3.29Å; L496-I500 PolarHBondContact O-N 2.83Å; L496-I500 VanDerWaalsContact O-N 3.1Å; D497-I500 PolarHBondContact O-N 2.94Å; D497-I500 VanDerWaalsContact O-N 3.16Å; K498-I500 VanDerWaalsContact C-N 3.32Å; I500-G502 PolarHBondContact O-N 2.84Å; I500-L505 HydrophobicContact CG1-CD2 4.13Å; I500-F506 WeakPolarHBondContact O-CB 3.46Å; I500-Y532 HydrophobicContact CD1-CD1 4.42Å; I500-Y532 HydrophobicContact CD1-CE1 4.16Å; I500-T533 HydrophobicContact CD1-CG2 4.11Å; I500-T533 HydrophobicContact CG1-CG2 4.18Å; I500-N536 HydrophobicContact CD1-CB 4.48Å; I500-N536 HydrophobicContact CG2-CB 3.88Å; I500-L537 HydrophobicContact CG2-CB 4.15Å
501Q93.6Very high93.5Very high99 Ų9941.1 Ų41.146%0.46323%0.228SC..SBendtrans-98.180.3-172.1-61.3178.66.600110.2D497 G503 F540D497-Q501 VanDerWaalsContact O-CB 3.28Å; D497-Q501 WeakPolarHBondContact O-CB 3.3Å; D497-Q501 WeakPolarHBondContact O-CG 3.43Å; D497-Q501 PolarHBondContact O-N 3.42Å; Q501-G503 VanDerWaalsContact C-N 3.31Å; Q501-G503 PolarHBondContact O-N 3.38Å; Q501-F540 HydrophobicContact CB-CD2 4.06Å; Q501-F540 HydrophobicContact CB-CE2 3.82Å; Q501-F540 HydrophobicContact CB-CZ 4.25Å; Q501-F540 HydrophobicContact CG-CD2 3.95Å; Q501-F540 HydrophobicContact CG-CE2 4.17Å
502G91.8Very high93.9Very high11 Ų1138.8 Ų38.811%0.11320%0.199CC..SBendtrans81.55.7178.300000114.9W279 I500 F507 F540W279-G502 WeakPolarHBondContact CB-O 3.4Å; I500-G502 PolarHBondContact O-N 2.84Å; G502-F507 WeakPolarHBondContact O-CD2 3.36Å; G502-F507 WeakPolarHBondContact O-CE2 2.94Å; G502-F540 VanDerWaalsContact N-CE1 3.29Å
503G94.6Very high94.2Very high17 Ų1738.5 Ų38.518%0.17519%0.193CC..SBendtrans-95.8-153.4179.300000115.3K498 S499 Q501 F506 F507K498-G503 WeakPolarHBondContact O-CA 3.17Å; K498-G503 PolarHBondContact O-N 2.84Å; S499-G503 CarbonylContact O-C 3.49Å; S499-G503 VanDerWaalsContact O-C 3.26Å; S499-G503 WeakPolarHBondContact O-CA 3.24Å; S499-G503 PolarHBondContact O-N 3.06Å; Q501-G503 VanDerWaalsContact C-N 3.31Å; Q501-G503 PolarHBondContact O-N 3.38Å; G503-F506 PolarHBondContact O-N 3.32Å; G503-F507 WeakPolarHBondContact O-CD2 2.95Å; G503-F507 PolarHBondContact O-N 3.46Å
504E93.6Very high94.6Very high131 Ų13137.2 Ų37.261%0.61218%0.184SC*.Hα-helixtrans-61.8-46.6-172.5-172.5-177.1178.600112.7S499 F507 T508S499-E504 PolarHBondContact O-N 2.86Å; E504-F507 PolarHBondContact O-N 3.1Å; E504-T508 WeakPolarHBondContact O-CB 3.42Å; E504-T508 PolarHBondContact O-N 3.04Å; E504-T508 PolarHBondContact O-OG1 2.88Å
505L96Very high94.9Very high2 Ų229.1 Ų29.11%0.0115%0.149CC..Hα-helixtrans-65-42.4-179.4179.757.1000111.4C477 S499 I500 T508 L509 F517 T533 L537C477-L505 HydrophobicContact CB-CD1 4Å; C477-L505 HydrophobicContact CB-CD2 4.49Å; S499-L505 PolarHBondContact O-N 3.24Å; S499-L505 WeakPolarHBondContact OG-CB 3.27Å; S499-L505 PolarHBondContact OG-N 2.01Å; I500-L505 HydrophobicContact CG1-CD2 4.13Å; L505-T508 WeakPolarHBondContact O-CB 3.32Å; L505-T508 PolarHBondContact O-N 3.23Å; L505-L509 PolarHBondContact O-N 3.33Å; L505-F517 HydrophobicContact CD1-CD1 3.98Å; L505-F517 HydrophobicContact CD1-CE1 3.31Å; L505-F517 HydrophobicContact CD1-CZ 3.7Å; L505-T533 HydrophobicContact CD2-CG2 3.41Å; L505-T533 VanDerWaalsContact CD2-CG2 3.41Å; L505-L537 HydrophobicContact CD1-CD2 4.11Å; L505-L537 HydrophobicContact CD2-CD2 4.04Å; L505-L537 HydrophobicContact CG-CD1 4.13Å; L505-L537 HydrophobicContact CG-CD2 3.79Å
506F97.4Very high95.1Very high0 Ų025.3 Ų25.30%013%0.131CC..Hα-helixtrans-57.6-53.3173.5174.9-112.9000112L283 S499 I500 G503 T508 L509 V510 L537 F540 V541 T545L283-F506 HydrophobicContact CD1-CE1 3.98Å; L283-F506 HydrophobicContact CD1-CZ 3.95Å; L283-F506 HydrophobicContact CD2-CE1 3.94Å; L283-F506 HydrophobicContact CD2-CZ 4.04Å; L283-F506 HydrophobicContact CG-CE1 4.11Å; L283-F506 HydrophobicContact CG-CZ 4.41Å; S499-F506 PolarHBondContact O-N 3.16Å; I500-F506 WeakPolarHBondContact O-CB 3.46Å; G503-F506 PolarHBondContact O-N 3.32Å; F506-T508 VanDerWaalsContact C-N 3.28Å; F506-T508 PolarHBondContact O-N 2.95Å; F506-L509 PolarHBondContact O-N 3.45Å; F506-L509 VanDerWaalsContact O-N 3.12Å; F506-V510 HydrophobicContact CD1-CG2 4.17Å; F506-V510 HydrophobicContact CD2-CG2 4.15Å; F506-V510 HydrophobicContact CE1-CG2 3.78Å; F506-V510 HydrophobicContact CE2-CG2 3.74Å; F506-V510 HydrophobicContact CG-CG2 4.36Å; F506-V510 HydrophobicContact CZ-CG2 3.55Å; F506-V510 WeakPolarHBondContact O-CG2 3.28Å; F506-V510 PolarHBondContact O-N 3.33Å; F506-L537 HydrophobicContact CB-CD1 4.36Å; F506-F540 HydrophobicContact CD1-CE1 4.3Å; F506-F540 AromaticContact CD2-CD1 3.65Å; F506-F540 HydrophobicContact CD2-CD1 3.65Å; F506-F540 HydrophobicContact CD2-CE1 4.02Å; F506-F540 HydrophobicContact CE1-CE1 4.24Å; F506-F540 AromaticContact CE2-CD1 3.75Å; F506-F540 HydrophobicContact CE2-CD1 3.75Å; F506-F540 AromaticContact CE2-CE1 3.98Å; F506-F540 HydrophobicContact CE2-CE1 3.98Å; F506-F540 HydrophobicContact CG-CD1 4.15Å; F506-F540 HydrophobicContact CG-CE1 4.17Å; F506-F540 HydrophobicContact CZ-CD1 4.32Å; F506-F540 HydrophobicContact CZ-CE1 4.08Å; F506-V541 HydrophobicContact CD2-CG2 3.74Å; F506-V541 HydrophobicContact CE2-CG2 3.82Å; F506-T545 HydrophobicContact CE2-CG2 3.98Å; F506-T545 HydrophobicContact CZ-CG2 3.77Å
507F96.8Very high95.4Very high10 Ų1025.3 Ų25.34%0.04413%0.131CC..Hα-helixtrans-70.3-23.8-178.1-83.3-69.5000113.7W279 K282 L283 I286 G502 G503 E504 L509 V510 L511W279-F507 HydrophobicContact CB-CE2 3.89Å; W279-F507 HydrophobicContact CB-CZ 4.34Å; W279-F507 WeakPolarHBondContact O-CZ 3.35Å; K282-F507 HydrophobicContact CB-CE1 4.07Å; K282-F507 HydrophobicContact CB-CE2 4.22Å; K282-F507 HydrophobicContact CB-CZ 3.59Å; K282-F507 HydrophobicContact CD-CD1 4.11Å; K282-F507 HydrophobicContact CD-CD2 3.98Å; K282-F507 HydrophobicContact CD-CE1 3.85Å; K282-F507 HydrophobicContact CD-CE2 3.7Å; K282-F507 HydrophobicContact CD-CG 4.18Å; K282-F507 HydrophobicContact CD-CZ 3.66Å; K282-F507 HydrophobicContact CG-CD1 4.27Å; K282-F507 HydrophobicContact CG-CE1 3.64Å; K282-F507 HydrophobicContact CG-CE2 4.19Å; K282-F507 HydrophobicContact CG-CZ 3.61Å; L283-F507 HydrophobicContact CD2-CE1 3.9Å; L283-F507 HydrophobicContact CD2-CZ 4.29Å; L283-F507 HydrophobicContact CG-CE1 4.16Å; L283-F507 HydrophobicContact CG-CZ 4.07Å; I286-F507 HydrophobicContact CD1-CD1 4.38Å; I286-F507 HydrophobicContact CD1-CE1 4.05Å; G502-F507 WeakPolarHBondContact O-CD2 3.36Å; G502-F507 WeakPolarHBondContact O-CE2 2.94Å; G503-F507 WeakPolarHBondContact O-CD2 2.95Å; G503-F507 PolarHBondContact O-N 3.46Å; E504-F507 PolarHBondContact O-N 3.1Å; F507-L509 VanDerWaalsContact C-N 3.31Å; F507-V510 HydrophobicContact CD1-CB 4.16Å; F507-V510 HydrophobicContact CD1-CG1 4.31Å; F507-V510 PolarHBondContact O-N 3.21Å; F507-L511 HydrophobicContact CB-CD1 4.28Å; F507-L511 HydrophobicContact CD1-CD1 4.35Å; F507-L511 HydrophobicContact CD1-CG 4.46Å; F507-L511 VanDerWaalsContact O-CB 3.29Å; F507-L511 WeakPolarHBondContact O-CB 3.46Å; F507-L511 WeakPolarHBondContact O-CG 2.9Å; F507-L511 PolarHBondContact O-N 3.42Å
508T95.4Very high95.4Very high22 Ų2224.9 Ų24.914%0.13513%0.129CC..Hα-helixtrans-58.4-47.1169.2-63.10000109.9Q475 E504 L505 F506 N512 F517Q475-T508 HydrophobicContact CB-CG2 4.18Å; Q475-T508 HydrophobicContact CG-CG2 4.05Å; E504-T508 WeakPolarHBondContact O-CB 3.42Å; E504-T508 PolarHBondContact O-N 3.04Å; E504-T508 PolarHBondContact O-OG1 2.88Å; L505-T508 WeakPolarHBondContact O-CB 3.32Å; L505-T508 PolarHBondContact O-N 3.23Å; F506-T508 VanDerWaalsContact C-N 3.28Å; F506-T508 PolarHBondContact O-N 2.95Å; T508-N512 VanDerWaalsContact O-CB 3.24Å; T508-N512 WeakPolarHBondContact O-CB 3.47Å; T508-N512 PolarHBondContact O-N 3.22Å; T508-N512 VanDerWaalsContact O-N 3.09Å; T508-N512 PolarHBondContact O-ND2 3.1Å; T508-F517 HydrophobicContact CG2-CE1 3.97Å; T508-F517 HydrophobicContact CG2-CZ 4.15Å
509L95.7Very high95.6Very high3 Ų318.9 Ų18.92%0.01610%0.102CC..Hα-helixtrans-70.8-38.4176.8-166.473.2000112.5R303 L305 L505 F506 F507 L511 F517 V541 L549R303-L509 HydrophobicContact CB-CD1 4.49Å; R303-L509 WeakPolarHBondContact CD-O 3.45Å; R303-L509 PolarHBondContact NE-O 2.95Å; L305-L509 HydrophobicContact CB-CD1 4.19Å; L305-L509 HydrophobicContact CD2-CD1 4.34Å; L505-L509 PolarHBondContact O-N 3.33Å; F506-L509 PolarHBondContact O-N 3.45Å; F506-L509 VanDerWaalsContact O-N 3.12Å; F507-L509 VanDerWaalsContact C-N 3.31Å; L509-L511 PolarHBondContact O-N 3.02Å; L509-F517 HydrophobicContact CD1-CE2 4.37Å; L509-V541 HydrophobicContact CD2-CB 4.45Å; L509-V541 HydrophobicContact CD2-CG1 4.2Å; L509-V541 HydrophobicContact CD2-CG2 3.67Å; L509-L549 HydrophobicContact CD2-CD1 4.14Å; L509-L549 HydrophobicContact CD2-CD2 3.76Å; L509-L549 HydrophobicContact CG-CD2 4.35Å
510V96.6Very high95.7Very high2 Ų218.6 Ų18.61%0.01210%0.099CC..Hα-helixtrans-64-43.2179.6173.50000111.6V204 L283 I286 R303 F506 F507 L547V204-V510 HydrophobicContact CG1-CG1 4.22Å; L283-V510 HydrophobicContact CD2-CG1 4Å; L283-V510 HydrophobicContact CD2-CG2 4.26Å; I286-V510 HydrophobicContact CD1-CG1 3.8Å; R303-V510 PolarHBondContact NE-O 3.42Å; R303-V510 VanDerWaalsContact NE-O 3.15Å; R303-V510 PolarHBondContact NH2-O 2.95Å; F506-V510 HydrophobicContact CD1-CG2 4.17Å; F506-V510 HydrophobicContact CD2-CG2 4.15Å; F506-V510 HydrophobicContact CE1-CG2 3.78Å; F506-V510 HydrophobicContact CE2-CG2 3.74Å; F506-V510 HydrophobicContact CG-CG2 4.36Å; F506-V510 HydrophobicContact CZ-CG2 3.55Å; F506-V510 WeakPolarHBondContact O-CG2 3.28Å; F506-V510 PolarHBondContact O-N 3.33Å; F507-V510 HydrophobicContact CD1-CB 4.16Å; F507-V510 HydrophobicContact CD1-CG1 4.31Å; F507-V510 PolarHBondContact O-N 3.21Å; V510-L547 HydrophobicContact CG2-CD1 4.08Å
511L95.9Very high95.7Very high6 Ų618.6 Ų18.63%0.03110%0.099CC..Hα-helixtrans-91.4-18.9-171.3-63.1169.9000113.8V98 I286 L299 F507 L509V98-L511 HydrophobicContact CG1-CD2 4.22Å; I286-L511 HydrophobicContact CD1-CD2 3.59Å; I286-L511 HydrophobicContact CD1-CG 4.47Å; I286-L511 HydrophobicContact CG1-CD2 4.11Å; L299-L511 VanDerWaalsContact CD1-O 3.29Å; L299-L511 WeakPolarHBondContact CD1-O 3.44Å; F507-L511 HydrophobicContact CB-CD1 4.28Å; F507-L511 HydrophobicContact CD1-CD1 4.35Å; F507-L511 HydrophobicContact CD1-CG 4.46Å; F507-L511 VanDerWaalsContact O-CB 3.29Å; F507-L511 WeakPolarHBondContact O-CB 3.46Å; F507-L511 WeakPolarHBondContact O-CG 2.9Å; F507-L511 PolarHBondContact O-N 3.42Å; L509-L511 PolarHBondContact O-N 3.02Å
512N94.7Very high95.7Very high22 Ų2214.5 Ų14.512%0.1188%0.081CC..  trans-106118.3179.1-65.5-80.2000111.5R303 T508 I514R303-N512 WeakPolarHBondContact CD-O 3.42Å; T508-N512 VanDerWaalsContact O-CB 3.24Å; T508-N512 WeakPolarHBondContact O-CB 3.47Å; T508-N512 PolarHBondContact O-N 3.22Å; T508-N512 VanDerWaalsContact O-N 3.09Å; T508-N512 PolarHBondContact O-ND2 3.1Å; N512-I514 PolarHBondContact O-N 3.23Å; N512-I514 VanDerWaalsContact O-N 3.17Å
513P95.6Very high95.8Very high17 Ų1714.4 Ų14.411%0.118%0.078CC..SBendtrans-58.2-28.5174.8-27.936.6000114.1L299 Y304 L564 F565L299-P513 HydrophobicContact CD2-CG 4.38Å; Y304-P513 PolarHBondContact N-O 2.78Å; P513-L564 HydrophobicContact CB-CD1 4.1Å; P513-F565 HydrophobicContact CG-CZ 4.22Å
514I96.6Very high95.9Very high10 Ų1013.6 Ų13.65%0.0517%0.07CC..EExtended strand (participates in β ladder)trans-131.8127.6178.8-59.7-172.9000108.7Y304 N512 L557 K560 Y561 L564Y304-I514 HydrophobicContact CD2-CG1 4Å; Y304-I514 HydrophobicContact CG-CG1 4.38Å; Y304-I514 CarbonylContact O-C 3.38Å; Y304-I514 WeakPolarHBondContact O-CA 3.16Å; N512-I514 PolarHBondContact O-N 3.23Å; N512-I514 VanDerWaalsContact O-N 3.17Å; I514-L557 HydrophobicContact CD1-CD1 4.13Å; I514-L557 HydrophobicContact CG1-CD1 4.41Å; I514-L557 HydrophobicContact CG2-CD1 3.79Å; I514-L557 HydrophobicContact CG2-CD2 4.18Å; I514-L557 HydrophobicContact CG2-CG 4Å; I514-K560 HydrophobicContact CD1-CB 4.37Å; I514-K560 HydrophobicContact CD1-CG 4.28Å; I514-Y561 HydrophobicContact CB-CD2 4.28Å; I514-Y561 HydrophobicContact CD1-CD2 4.01Å; I514-Y561 HydrophobicContact CD1-CG 4.38Å; I514-Y561 HydrophobicContact CG2-CD2 4.44Å; I514-L564 HydrophobicContact CD1-CD1 4.06Å; I514-L564 HydrophobicContact CG1-CD1 4.25Å
515S96.7Very high95.8Very high0 Ų07.5 Ų7.50%04%0.042CC..EExtended strand (participates in β ladder)trans-132.7121.7177.5-660000111.1Y304 L305 L306Y304-S515 PolarHBondContact O-N 3.32Å; L305-S515 VanDerWaalsContact CA-O 3.26Å; L305-S515 WeakPolarHBondContact CA-O 3.28Å; L306-S515 PolarHBondContact N-O 3.23Å
516I97.7Very high95.5Very high1 Ų110.5 Ų10.51%0.0056%0.058CC..EExtended strand (participates in β ladder)trans-107.7110.6172.7-55.7169.6000106.4L306 D308 L472 R474 Q475 L557L306-I516 HydrophobicContact CB-CG1 4.3Å; L306-I516 HydrophobicContact CB-CG2 4.32Å; L306-I516 HydrophobicContact CD2-CG2 4.14Å; L306-I516 HydrophobicContact CG-CG2 4.44Å; L306-I516 CarbonylContact O-C 3.52Å; L306-I516 WeakPolarHBondContact O-CA 3.23Å; D308-I516 WeakPolarHBondContact OD2-CG2 3.17Å; L472-I516 HydrophobicContact CB-CD1 3.52Å; L472-I516 HydrophobicContact CD1-CD1 3.6Å; L472-I516 HydrophobicContact CG-CD1 4.22Å; R474-I516 CarbonylContact C-O 3.49Å; R474-I516 HydrophobicContact CG-CB 4.19Å; R474-I516 HydrophobicContact CG-CG2 3.92Å; R474-I516 VanDerWaalsContact CG-O 3.29Å; R474-I516 WeakPolarHBondContact CG-O 3.42Å; Q475-I516 PolarHBondContact N-O 3.25Å; I516-L557 HydrophobicContact CD1-CD2 4.28Å; I516-L557 HydrophobicContact CG1-CD2 4Å
517F97.5Very high95.2Very high1 Ų114.3 Ų14.30%0.0048%0.078CC..EExtended strand (participates in β ladder)trans-91.2130.9-178.4-67.5-73.5000110.8L306 D308 Q475 C477 L505 T508 L509 F534L306-F517 PolarHBondContact O-N 2.98Å; D308-F517 PolarHBondContact N-O 3.49Å; Q475-F517 HydrophobicContact CB-CD1 3.87Å; Q475-F517 HydrophobicContact CB-CE1 3.92Å; C477-F517 HydrophobicContact CB-CD1 3.9Å; L505-F517 HydrophobicContact CD1-CD1 3.98Å; L505-F517 HydrophobicContact CD1-CE1 3.31Å; L505-F517 HydrophobicContact CD1-CZ 3.7Å; T508-F517 HydrophobicContact CG2-CE1 3.97Å; T508-F517 HydrophobicContact CG2-CZ 4.15Å; L509-F517 HydrophobicContact CD1-CE2 4.37Å; F517-F534 HydrophobicContact CB-CE1 4.04Å; F517-F534 HydrophobicContact CB-CZ 3.71Å; F517-F534 AromaticContact CD2-CE1 3.75Å; F517-F534 HydrophobicContact CD2-CE1 3.75Å; F517-F534 HydrophobicContact CD2-CZ 4.31Å; F517-F534 HydrophobicContact CE2-CE1 4.37Å; F517-F534 AromaticContact CG-CE1 3.89Å; F517-F534 HydrophobicContact CG-CE1 3.89Å; F517-F534 HydrophobicContact CG-CZ 4.05Å
518M94.8Very high95.1Very high23 Ų2317.4 Ų17.411%0.1139%0.09CC..EExtended strand (participates in β ladder)trans-85123.7171.2-176.3177.765.700110.5H424 E450 R474 Q475 C477H424-M518 PolarHBondContact NE2-SD 2.91Å; E450-M518 WeakPolarHBondContact OE2-CE 3.43Å; R474-M518 HydrophobicContact CG-CB 4.21Å; Q475-M518 PolarHBondContact O-N 2.85Å; C477-M518 PolarHBondContact SG-O 3.41Å
519T96.9Very high95.1Very high0 Ų016.9 Ų16.90%09%0.086CC..EExtended strand (participates in β ladder)trans-134.9171.2166.956.50000109.8V307 D308 D310 L479 Y524 F534V307-T519 HydrophobicContact CG1-CG2 4.44Å; D308-T519 PolarHBondContact O-N 3.11Å; D308-T519 PolarHBondContact O-OG1 3.23Å; D310-T519 PolarHBondContact N-O 3.05Å; L479-T519 HydrophobicContact CD1-CG2 4.07Å; T519-Y524 WeakPolarHBondContact OG1-CE2 3.27Å; T519-Y524 PolarHBondContact OG1-OH 2.84Å; T519-F534 HydrophobicContact CG2-CE2 3.76Å; T519-F534 HydrophobicContact CG2-CZ 4.16Å
520H96.4Very high95.1Very high13 Ų1316.8 Ų16.86%0.069%0.085CC..EExtended strand (participates in β ladder)trans-132.1157.9-177.7-56.173.4000109.7D310 D311 S522 N523 Y524D310-H520 CarbonylContact O-C 3.48Å; D310-H520 WeakPolarHBondContact O-CA 3.5Å; D311-H520 IonicContact OD2-CD2 2.7Å; D311-H520 PolarHBondContact OD2-CD2 3.5Å; H520-S522 PolarHBondContact O-N 2.97Å; H520-S522 VanDerWaalsContact O-N 3.1Å; H520-N523 PolarHBondContact N-OD1 3.4Å; H520-N523 VanDerWaalsContact O-CB 3.28Å; H520-N523 WeakPolarHBondContact O-CB 3.46Å; H520-N523 PolarHBondContact O-N 3.08Å; H520-N523 PolarHBondContact O-OD1 3.49Å; H520-Y524 WeakPolarHBondContact O-CD2 3.05Å
521L95.9Very high95.1Very high1 Ų117.1 Ų17.11%0.0059%0.087CC..G310 helixtrans-45.9-42177.2170.6144.7000113.3D310 D311 I312 R320 M321 N523 Y524 G525D310-L521 PolarHBondContact O-N 2.91Å; D311-L521 WeakPolarHBondContact O-CB 3.46Å; I312-L521 HydrophobicContact CD1-CB 4.27Å; I312-L521 HydrophobicContact CD1-CD1 4.16Å; R320-L521 HydrophobicContact CB-CD2 4.33Å; M321-L521 HydrophobicContact CE-CD1 3.89Å; M321-L521 HydrophobicContact CE-CG 3.93Å; L521-N523 PolarHBondContact O-N 3.18Å; L521-N523 VanDerWaalsContact O-N 3.1Å; L521-Y524 PolarHBondContact O-N 2.93Å; L521-G525 PolarHBondContact O-N 3.36Å
522S92.8Very high95.1Very high13 Ų1320.4 Ų20.49%0.09110%0.1CC..G310 helixtrans-59.7-21.2178.858.80000114.1T481 H520 Y524T481-S522 PolarHBondContact O-OG 3.2Å; H520-S522 PolarHBondContact O-N 2.97Å; H520-S522 VanDerWaalsContact O-N 3.1Å; S522-Y524 VanDerWaalsContact C-N 3.25Å; S522-Y524 PolarHBondContact O-N 3.43Å
523N94.9Very high95.2Very high9 Ų919.3 Ų19.35%0.0489%0.094CC..G310 helixtrans-77.3-13176.9-53.7146000113L479 F480 H520 L521 R528 L529 G530L479-N523 HydrophobicContact CD1-CB 4.35Å; F480-N523 PolarHBondContact O-ND2 3.45Å; H520-N523 PolarHBondContact N-OD1 3.4Å; H520-N523 VanDerWaalsContact O-CB 3.28Å; H520-N523 WeakPolarHBondContact O-CB 3.46Å; H520-N523 PolarHBondContact O-N 3.08Å; H520-N523 PolarHBondContact O-OD1 3.49Å; L521-N523 PolarHBondContact O-N 3.18Å; L521-N523 VanDerWaalsContact O-N 3.1Å; N523-R528 CarbonylContact O-C 3.58Å; N523-L529 PolarHBondContact O-N 2.86Å; N523-L529 VanDerWaalsContact O-N 3.12Å; N523-G530 PolarHBondContact O-N 3.25Å
524Y96.2Very high95.3Very high0 Ų018.9 Ų18.90%09%0.09CC..THydrogen-bonded Turntrans-113.6-10.8-175.6-60.7-89.9000113V307 I309 M321 L329 F345 T519 H520 L521 S522 R528 L531V307-Y524 WeakPolarHBondContact CG1-OH 3.41Å; I309-Y524 HydrophobicContact CB-CE2 4.13Å; I309-Y524 HydrophobicContact CD1-CD1 4.22Å; I309-Y524 HydrophobicContact CD1-CD2 3.9Å; I309-Y524 HydrophobicContact CD1-CE1 3.87Å; I309-Y524 HydrophobicContact CD1-CE2 3.53Å; I309-Y524 HydrophobicContact CD1-CG 4.23Å; I309-Y524 HydrophobicContact CG1-CD2 4.22Å; I309-Y524 HydrophobicContact CG1-CE2 3.51Å; I309-Y524 HydrophobicContact CG2-CD2 3.73Å; I309-Y524 HydrophobicContact CG2-CE2 3.67Å; M321-Y524 VanDerWaalsContact SD-CB 3.58Å; L329-Y524 HydrophobicContact CD1-CD1 3.69Å; L329-Y524 HydrophobicContact CD1-CE1 3.96Å; L329-Y524 HydrophobicContact CD1-CG 4.46Å; F345-Y524 AromaticContact CE1-CE1 3.99Å; F345-Y524 HydrophobicContact CE1-CE1 3.99Å; F345-Y524 HydrophobicContact CZ-CE1 4.25Å; T519-Y524 WeakPolarHBondContact OG1-CE2 3.27Å; T519-Y524 PolarHBondContact OG1-OH 2.84Å; H520-Y524 WeakPolarHBondContact O-CD2 3.05Å; L521-Y524 PolarHBondContact O-N 2.93Å; S522-Y524 VanDerWaalsContact C-N 3.25Å; S522-Y524 PolarHBondContact O-N 3.43Å; Y524-R528 WeakPolarHBondContact O-CG 3.36Å; Y524-L531 HydrophobicContact CD1-CD2 3.51Å; Y524-L531 HydrophobicContact CD1-CG 3.91Å; Y524-L531 HydrophobicContact CE1-CD2 3.72Å; Y524-L531 HydrophobicContact CE1-CG 4.41Å
525G91.4Very high95.4Very high2 Ų219.5 Ų19.52%0.0219%0.094CC..SBendtrans-82.6171.4163.700000112.3L521 D527 R528L521-G525 PolarHBondContact O-N 3.36Å; G525-D527 PolarHBondContact O-N 3Å; G525-R528 PolarHBondContact O-N 2.83Å; G525-R528 VanDerWaalsContact O-N 3.08Å
526N89.6Confident95.4Very high65 Ų6521.7 Ų21.735%0.34811%0.106SC..THydrogen-bonded Turntrans55.7-115174.1-64-80.7000113.4G318 F485 R528G318-N526 PolarHBondContact O-ND2 2.75Å; F485-N526 HydrophobicContact CE1-CB 3.86Å; N526-R528 PolarHBondContact O-N 3.19Å
527D91.3Very high95.4Very high81 Ų8122 Ų2243%0.43311%0.108SC..THydrogen-bonded Turntrans-72.3-5.8-178.8-80.23.3000113.6F485 Y486 G525 L529F485-D527 WeakPolarHBondContact CA-OD2 3.43Å; F485-D527 WeakPolarHBondContact CB-OD2 3.42Å; Y486-D527 PolarHBondContact N-OD2 2.7Å; G525-D527 PolarHBondContact O-N 3Å; D527-L529 VanDerWaalsContact C-N 3.28Å; D527-L529 HydrophobicContact CB-CD2 4.3Å; D527-L529 HydrophobicContact CB-CG 4.35Å; D527-L529 PolarHBondContact O-N 2.91Å
528R94.6Very high95.4Very high75 Ų7522 Ų2228%0.28311%0.109SC..  trans53.641.4175.5-59.8160.5-171.6-176.7-0.1113.4N324 D325 A328 N523 Y524 G525 N526 G530 L531 Y532N324-R528 PolarHBondContact O-NH2 2.61Å; N324-R528 VanDerWaalsContact O-NH2 3.11Å; D325-R528 IonicContact OD1-CZ 4Å; D325-R528 IonicContact OD1-NE 3.36Å; D325-R528 PolarHBondContact OD1-NE 3.42Å; D325-R528 IonicContact OD1-NH2 3.53Å; D325-R528 PolarHBondContact OD1-NH2 3.35Å; A328-R528 VanDerWaalsContact CB-NH1 3.26Å; N523-R528 CarbonylContact O-C 3.58Å; Y524-R528 WeakPolarHBondContact O-CG 3.36Å; G525-R528 PolarHBondContact O-N 2.83Å; G525-R528 VanDerWaalsContact O-N 3.08Å; N526-R528 PolarHBondContact O-N 3.19Å; R528-G530 PolarHBondContact O-N 3.08Å; R528-G530 VanDerWaalsContact O-N 3.11Å; R528-L531 HydrophobicContact CB-CB 4.27Å; R528-L531 HydrophobicContact CB-CD1 3.93Å; R528-L531 HydrophobicContact CB-CG 4.12Å; R528-L531 HydrophobicContact CG-CD1 4.16Å; R528-L531 WeakPolarHBondContact O-CB 3.31Å; R528-L531 PolarHBondContact O-N 3.14Å; R528-Y532 PolarHBondContact O-N 3.15Å; R528-Y532 VanDerWaalsContact O-N 3.13Å
529L94.8Very high95.5Very high11 Ų1123.2 Ų23.26%0.05812%0.115CC..Hα-helixtrans-56.2-30.8-176.9-68.3-171.1000113.5L479 I484 Y486 Y489 L496 N523 D527 T533L479-L529 HydrophobicContact CD2-CB 4.01Å; I484-L529 HydrophobicContact CB-CD1 4.45Å; I484-L529 HydrophobicContact CG2-CD1 4.3Å; I484-L529 WeakPolarHBondContact O-CD1 3.34Å; Y486-L529 HydrophobicContact CD2-CD2 3.82Å; Y486-L529 HydrophobicContact CG-CD2 4.3Å; Y489-L529 HydrophobicContact CD2-CD1 4.48Å; L496-L529 HydrophobicContact CD2-CD2 4.36Å; N523-L529 PolarHBondContact O-N 2.86Å; N523-L529 VanDerWaalsContact O-N 3.12Å; D527-L529 VanDerWaalsContact C-N 3.28Å; D527-L529 HydrophobicContact CB-CD2 4.3Å; D527-L529 HydrophobicContact CB-CG 4.35Å; D527-L529 PolarHBondContact O-N 2.91Å; L529-T533 VanDerWaalsContact O-CB 3.25Å; L529-T533 WeakPolarHBondContact O-CB 3.37Å; L529-T533 PolarHBondContact O-N 2.89Å; L529-T533 PolarHBondContact O-OG1 3.43Å
530G96.2Very high95.4Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-57.9-49.7172.400000112.3N523 R528 T533 F534N523-G530 PolarHBondContact O-N 3.25Å; R528-G530 PolarHBondContact O-N 3.08Å; R528-G530 VanDerWaalsContact O-N 3.11Å; G530-T533 PolarHBondContact O-N 3.07Å; G530-F534 VanDerWaalsContact O-CD2 3.26Å; G530-F534 WeakPolarHBondContact O-CD2 3.5Å; G530-F534 PolarHBondContact O-N 3.19Å
531L97.3Very high95.4Very high10 Ų1023.9 Ų23.95%0.05212%0.118CC..Hα-helixtrans-63.2-48.6178.6-55-175.3000111A328 L329 T332 F345 Y524 R528 T533 V535A328-L531 HydrophobicContact CB-CD1 3.88Å; L329-L531 HydrophobicContact CD1-CD2 3.74Å; T332-L531 HydrophobicContact CG2-CB 4.2Å; T332-L531 HydrophobicContact CG2-CD2 3.84Å; F345-L531 HydrophobicContact CZ-CD2 4.17Å; Y524-L531 HydrophobicContact CD1-CD2 3.51Å; Y524-L531 HydrophobicContact CD1-CG 3.91Å; Y524-L531 HydrophobicContact CE1-CD2 3.72Å; Y524-L531 HydrophobicContact CE1-CG 4.41Å; R528-L531 HydrophobicContact CB-CB 4.27Å; R528-L531 HydrophobicContact CB-CD1 3.93Å; R528-L531 HydrophobicContact CB-CG 4.12Å; R528-L531 HydrophobicContact CG-CD1 4.16Å; R528-L531 WeakPolarHBondContact O-CB 3.31Å; R528-L531 PolarHBondContact O-N 3.14Å; L531-T533 VanDerWaalsContact C-N 3.3Å; L531-T533 PolarHBondContact O-N 3.03Å; L531-V535 WeakPolarHBondContact O-CB 3.26Å; L531-V535 VanDerWaalsContact O-CG2 3.29Å; L531-V535 WeakPolarHBondContact O-CG2 3.32Å; L531-V535 PolarHBondContact O-N 2.9Å; L531-V535 VanDerWaalsContact O-N 3.14Å
532Y96.1Very high95.4Very high74 Ų7430.2 Ų30.229%0.2914%0.142SC..Hα-helixtrans-54-47.5176.1177.1-96.1000111.6Y486 L496 D497 I500 R528 N536Y486-Y532 HydrophobicContact CE2-CE1 4.07Å; L496-Y532 HydrophobicContact CD2-CD1 4.1Å; L496-Y532 HydrophobicContact CD2-CE1 4.25Å; D497-Y532 WeakPolarHBondContact OD1-CE1 3.46Å; D497-Y532 PolarHBondContact OD1-OH 2.8Å; I500-Y532 HydrophobicContact CD1-CD1 4.42Å; I500-Y532 HydrophobicContact CD1-CE1 4.16Å; R528-Y532 PolarHBondContact O-N 3.15Å; R528-Y532 VanDerWaalsContact O-N 3.13Å; Y532-N536 WeakPolarHBondContact CD2-ND2 3.42Å; Y532-N536 WeakPolarHBondContact CE2-ND2 3.42Å; Y532-N536 WeakPolarHBondContact O-CB 3.36Å; Y532-N536 PolarHBondContact O-N 2.85Å; Y532-N536 VanDerWaalsContact O-N 3.13Å; Y532-N536 PolarHBondContact O-ND2 2.86Å
533T96.7Very high95.4Very high0 Ų031.3 Ų31.30%015%0.148CC..Hα-helixtrans-62.6-52.4-174.7-61.90000112I500 L505 L529 G530 L531 L537I500-T533 HydrophobicContact CD1-CG2 4.11Å; I500-T533 HydrophobicContact CG1-CG2 4.18Å; L505-T533 HydrophobicContact CD2-CG2 3.41Å; L505-T533 VanDerWaalsContact CD2-CG2 3.41Å; L529-T533 VanDerWaalsContact O-CB 3.25Å; L529-T533 WeakPolarHBondContact O-CB 3.37Å; L529-T533 PolarHBondContact O-N 2.89Å; L529-T533 PolarHBondContact O-OG1 3.43Å; G530-T533 PolarHBondContact O-N 3.07Å; L531-T533 VanDerWaalsContact C-N 3.3Å; L531-T533 PolarHBondContact O-N 3.03Å; T533-L537 VanDerWaalsContact O-CB 3.26Å; T533-L537 WeakPolarHBondContact O-CB 3.38Å; T533-L537 PolarHBondContact O-N 3.23Å
534F97.9Very high95.4Very high7 Ų731.7 Ų31.73%0.03115%0.149CC..Hα-helixtrans-75.3-32-174-71-68000113.5V307 L336 C477 F517 T519 G530 L537 A538V307-F534 HydrophobicContact CB-CE2 4.45Å; V307-F534 HydrophobicContact CB-CZ 4.47Å; V307-F534 HydrophobicContact CG1-CD2 4.06Å; V307-F534 HydrophobicContact CG1-CE2 3.5Å; V307-F534 VanDerWaalsContact CG1-CE2 3.5Å; V307-F534 HydrophobicContact CG1-CZ 3.81Å; V307-F534 HydrophobicContact CG2-CD1 3.98Å; V307-F534 HydrophobicContact CG2-CD2 4.26Å; V307-F534 HydrophobicContact CG2-CE1 3.76Å; V307-F534 HydrophobicContact CG2-CE2 4.05Å; V307-F534 HydrophobicContact CG2-CG 4.24Å; V307-F534 HydrophobicContact CG2-CZ 3.8Å; L336-F534 HydrophobicContact CD1-CB 4.32Å; C477-F534 HydrophobicContact CB-CZ 4.43Å; F517-F534 HydrophobicContact CB-CE1 4.04Å; F517-F534 HydrophobicContact CB-CZ 3.71Å; F517-F534 AromaticContact CD2-CE1 3.75Å; F517-F534 HydrophobicContact CD2-CE1 3.75Å; F517-F534 HydrophobicContact CD2-CZ 4.31Å; F517-F534 HydrophobicContact CE2-CE1 4.37Å; F517-F534 AromaticContact CG-CE1 3.89Å; F517-F534 HydrophobicContact CG-CE1 3.89Å; F517-F534 HydrophobicContact CG-CZ 4.05Å; T519-F534 HydrophobicContact CG2-CE2 3.76Å; T519-F534 HydrophobicContact CG2-CZ 4.16Å; G530-F534 VanDerWaalsContact O-CD2 3.26Å; G530-F534 WeakPolarHBondContact O-CD2 3.5Å; G530-F534 PolarHBondContact O-N 3.19Å; F534-L537 HydrophobicContact CD1-CD2 4.27Å; F534-A538 WeakPolarHBondContact O-CB 3.4Å; F534-A538 PolarHBondContact O-N 2.87Å
535V97.9Very high95.4Very high23 Ų2331.9 Ų31.914%0.13915%0.15CC..Hα-helixtrans-64-48.6173.31720000110.5T332 L335 L336 L531 L537 A538 N539T332-V535 HydrophobicContact CG2-CG2 3.49Å; T332-V535 VanDerWaalsContact CG2-CG2 3.49Å; L335-V535 HydrophobicContact CD2-CG1 3.94Å; L335-V535 HydrophobicContact CD2-CG2 4.02Å; L336-V535 HydrophobicContact CD2-CG2 4.17Å; L336-V535 HydrophobicContact CG-CG2 4.36Å; L531-V535 WeakPolarHBondContact O-CB 3.26Å; L531-V535 VanDerWaalsContact O-CG2 3.29Å; L531-V535 WeakPolarHBondContact O-CG2 3.32Å; L531-V535 PolarHBondContact O-N 2.9Å; L531-V535 VanDerWaalsContact O-N 3.14Å; V535-L537 PolarHBondContact O-N 2.94Å; V535-A538 PolarHBondContact O-N 3.01Å; V535-N539 WeakPolarHBondContact O-CB 3.46Å; V535-N539 VanDerWaalsContact O-CG 3.27Å; V535-N539 PolarHBondContact O-N 2.92Å; V535-N539 PolarHBondContact O-ND2 3.31Å
536N97.3Very high95.6Very high47 Ų4734.9 Ų34.925%0.25117%0.166SC..Hα-helixtrans-67.2-36.8179.3-75-67.5000112.2I500 Y532 N539 F540I500-N536 HydrophobicContact CD1-CB 4.48Å; I500-N536 HydrophobicContact CG2-CB 3.88Å; Y532-N536 WeakPolarHBondContact CD2-ND2 3.42Å; Y532-N536 WeakPolarHBondContact CE2-ND2 3.42Å; Y532-N536 WeakPolarHBondContact O-CB 3.36Å; Y532-N536 PolarHBondContact O-N 2.85Å; Y532-N536 VanDerWaalsContact O-N 3.13Å; Y532-N536 PolarHBondContact O-ND2 2.86Å; N536-N539 PolarHBondContact O-N 3.39Å; N536-F540 WeakPolarHBondContact O-CB 3.3Å; N536-F540 PolarHBondContact O-N 2.81Å
537L97.6Very high96Very high6 Ų632.6 Ų32.63%0.03115%0.153CC..Hα-helixtrans-61.8-50.2173.9-179.765.3000111.8I500 L505 F506 T533 F534 V535 N539 F540 V541I500-L537 HydrophobicContact CG2-CB 4.15Å; L505-L537 HydrophobicContact CD1-CD2 4.11Å; L505-L537 HydrophobicContact CD2-CD2 4.04Å; L505-L537 HydrophobicContact CG-CD1 4.13Å; L505-L537 HydrophobicContact CG-CD2 3.79Å; F506-L537 HydrophobicContact CB-CD1 4.36Å; T533-L537 VanDerWaalsContact O-CB 3.26Å; T533-L537 WeakPolarHBondContact O-CB 3.38Å; T533-L537 PolarHBondContact O-N 3.23Å; F534-L537 HydrophobicContact CD1-CD2 4.27Å; V535-L537 PolarHBondContact O-N 2.94Å; L537-N539 VanDerWaalsContact C-N 3.31Å; L537-N539 PolarHBondContact O-N 3.13Å; L537-F540 PolarHBondContact O-N 3.07Å; L537-V541 HydrophobicContact CD1-CG2 4.1Å; L537-V541 HydrophobicContact CG-CG2 4.36Å; L537-V541 WeakPolarHBondContact O-CB 3.37Å; L537-V541 WeakPolarHBondContact O-CG2 3.49Å; L537-V541 PolarHBondContact O-N 3.48Å
538A97.5Very high96.3Very high3 Ų335.1 Ų35.13%0.02516%0.16CC..Hα-helixtrans-59.5-43.9178.900000111.5L336 I340 F534 V535 F540 V541 R542L336-A538 HydrophobicContact CD2-CB 3.95Å; I340-A538 HydrophobicContact CD1-CB 4.15Å; F534-A538 WeakPolarHBondContact O-CB 3.4Å; F534-A538 PolarHBondContact O-N 2.87Å; V535-A538 PolarHBondContact O-N 3.01Å; A538-F540 PolarHBondContact O-N 2.63Å; A538-V541 PolarHBondContact O-N 2.8Å; A538-R542 VanDerWaalsContact O-CB 3.31Å; A538-R542 WeakPolarHBondContact O-CB 3.39Å; A538-R542 PolarHBondContact O-N 3.24Å
539N96.2Very high96.5Very high48 Ų4832.2 Ų32.226%0.25715%0.151SC..Hα-helixtrans-59.6-48175.8-77-30.2000112Q339 V535 N536 L537 R542 T543Q339-N539 PolarHBondContact NE2-OD1 2.97Å; Q339-N539 PolarHBondContact OE1-OD1 3.33Å; V535-N539 WeakPolarHBondContact O-CB 3.46Å; V535-N539 VanDerWaalsContact O-CG 3.27Å; V535-N539 PolarHBondContact O-N 2.92Å; V535-N539 PolarHBondContact O-ND2 3.31Å; N536-N539 PolarHBondContact O-N 3.39Å; L537-N539 VanDerWaalsContact C-N 3.31Å; L537-N539 PolarHBondContact O-N 3.13Å; N539-R542 PolarHBondContact O-N 3.03Å; N539-R542 PolarHBondContact OD1-NH2 3.35Å; N539-T543 WeakPolarHBondContact O-CB 3.41Å; N539-T543 PolarHBondContact O-N 2.77Å; N539-T543 PolarHBondContact O-OG1 2.96Å
540F95.8Very high96.7Very high26 Ų2633.7 Ų33.711%0.11416%0.157CC..Hα-helixtrans-64.8-44-178.7-167.5-93.9000111.4W279 Q501 G502 F506 N536 L537 A538 T543 W544W279-F540 HydrophobicContact CD2-CZ 4.4Å; W279-F540 HydrophobicContact CE3-CE1 4.41Å; W279-F540 HydrophobicContact CE3-CZ 4.28Å; W279-F540 AromaticContact CH2-CZ 3.97Å; W279-F540 HydrophobicContact CH2-CZ 3.97Å; W279-F540 HydrophobicContact CZ2-CZ 4.09Å; W279-F540 HydrophobicContact CZ3-CE1 4.28Å; W279-F540 HydrophobicContact CZ3-CZ 4.05Å; Q501-F540 HydrophobicContact CB-CD2 4.06Å; Q501-F540 HydrophobicContact CB-CE2 3.82Å; Q501-F540 HydrophobicContact CB-CZ 4.25Å; Q501-F540 HydrophobicContact CG-CD2 3.95Å; Q501-F540 HydrophobicContact CG-CE2 4.17Å; G502-F540 VanDerWaalsContact N-CE1 3.29Å; F506-F540 HydrophobicContact CD1-CE1 4.3Å; F506-F540 AromaticContact CD2-CD1 3.65Å; F506-F540 HydrophobicContact CD2-CD1 3.65Å; F506-F540 HydrophobicContact CD2-CE1 4.02Å; F506-F540 HydrophobicContact CE1-CE1 4.24Å; F506-F540 AromaticContact CE2-CD1 3.75Å; F506-F540 HydrophobicContact CE2-CD1 3.75Å; F506-F540 AromaticContact CE2-CE1 3.98Å; F506-F540 HydrophobicContact CE2-CE1 3.98Å; F506-F540 HydrophobicContact CG-CD1 4.15Å; F506-F540 HydrophobicContact CG-CE1 4.17Å; F506-F540 HydrophobicContact CZ-CD1 4.32Å; F506-F540 HydrophobicContact CZ-CE1 4.08Å; N536-F540 WeakPolarHBondContact O-CB 3.3Å; N536-F540 PolarHBondContact O-N 2.81Å; L537-F540 PolarHBondContact O-N 3.07Å; A538-F540 PolarHBondContact O-N 2.63Å; F540-T543 WeakPolarHBondContact O-CB 3.35Å; F540-T543 PolarHBondContact O-N 3.26Å; F540-W544 AromaticContact CD2-CD1 3.7Å; F540-W544 AromaticContact CD2-NE1 3.88Å; F540-W544 AromaticContact CE1-CD1 3.78Å; F540-W544 HydrophobicContact CE1-CG 4.41Å; F540-W544 AromaticContact CE2-CD1 3.46Å; F540-W544 VanDerWaalsContact CE2-CD1 3.46Å; F540-W544 AromaticContact CE2-NE1 3.41Å; F540-W544 AromaticContact CG-CD1 3.97Å; F540-W544 AromaticContact CZ-CD1 3.49Å; F540-W544 VanDerWaalsContact CZ-CD1 3.49Å; F540-W544 HydrophobicContact CZ-CG 4.29Å; F540-W544 AromaticContact CZ-NE1 3.75Å; F540-W544 PolarHBondContact O-N 3.26Å
541V96.1Very high96.7Very high1 Ų133.7 Ų33.71%0.00616%0.157CC..Hα-helixtrans-61.3-47.2177.5173.60000111.5F506 L509 L537 A538 T543 W544 T545 L547 L549F506-V541 HydrophobicContact CD2-CG2 3.74Å; F506-V541 HydrophobicContact CE2-CG2 3.82Å; L509-V541 HydrophobicContact CD2-CB 4.45Å; L509-V541 HydrophobicContact CD2-CG1 4.2Å; L509-V541 HydrophobicContact CD2-CG2 3.67Å; L537-V541 HydrophobicContact CD1-CG2 4.1Å; L537-V541 HydrophobicContact CG-CG2 4.36Å; L537-V541 WeakPolarHBondContact O-CB 3.37Å; L537-V541 WeakPolarHBondContact O-CG2 3.49Å; L537-V541 PolarHBondContact O-N 3.48Å; A538-V541 PolarHBondContact O-N 2.8Å; V541-T543 PolarHBondContact O-N 2.79Å; V541-W544 PolarHBondContact O-N 2.94Å; V541-T545 WeakPolarHBondContact CG1-OG1 3.26Å; V541-T545 WeakPolarHBondContact O-CB 3.37Å; V541-T545 PolarHBondContact O-N 2.91Å; V541-T545 PolarHBondContact O-OG1 3.49Å; V541-L547 HydrophobicContact CG1-CB 4.19Å; V541-L547 HydrophobicContact CG1-CD1 4.24Å; V541-L549 HydrophobicContact CB-CD1 4.41Å; V541-L549 HydrophobicContact CG1-CD1 4.05Å; V541-L549 HydrophobicContact CG1-CD2 4.1Å; V541-L549 HydrophobicContact CG1-CG 4.29Å
542R94.4Very high96.8Very high133 Ų13334.8 Ų34.850%0.50216%0.163SC..Hα-helixtrans-62.4-31.9177.2-177179.166.1168.9-3.6112.8A538 N539A538-R542 VanDerWaalsContact O-CB 3.31Å; A538-R542 WeakPolarHBondContact O-CB 3.39Å; A538-R542 PolarHBondContact O-N 3.24Å; N539-R542 PolarHBondContact O-N 3.03Å; N539-R542 PolarHBondContact OD1-NH2 3.35Å
543T93.1Very high96.8Very high36 Ų3633 Ų3322%0.22116%0.161CC..Hα-helixtrans-73.5-44.9-178.9-610000111.6S208 K209 N539 F540 V541S208-T543 PolarHBondContact OG-O 2.68Å; K209-T543 HydrophobicContact CB-CG2 4.49Å; K209-T543 HydrophobicContact CD-CG2 3.63Å; K209-T543 HydrophobicContact CG-CG2 3.97Å; N539-T543 WeakPolarHBondContact O-CB 3.41Å; N539-T543 PolarHBondContact O-N 2.77Å; N539-T543 PolarHBondContact O-OG1 2.96Å; F540-T543 WeakPolarHBondContact O-CB 3.35Å; F540-T543 PolarHBondContact O-N 3.26Å; V541-T543 PolarHBondContact O-N 2.79Å
544W94.7Very high96.8Very high17 Ų1733.1 Ų33.16%0.06416%0.161CC..Hα-helixtrans-107.4-5.1-167.3-67.9108.6000115I195 K206 K209 D211 W279 L280 F540 V541I195-W544 HydrophobicContact CD1-CE3 4.35Å; I195-W544 HydrophobicContact CD1-CZ3 4.21Å; K206-W544 PolarHBondContact N-O 3.46Å; K209-W544 HydrophobicContact CB-CH2 3.85Å; K209-W544 HydrophobicContact CB-CZ2 4Å; K209-W544 HydrophobicContact CB-CZ3 4.28Å; K209-W544 VanDerWaalsContact O-CH2 3.22Å; K209-W544 WeakPolarHBondContact O-CH2 3.47Å; K209-W544 VanDerWaalsContact O-CZ3 3.28Å; K209-W544 WeakPolarHBondContact O-CZ3 3.27Å; D211-W544 HydrophobicContact CB-CH2 3.92Å; D211-W544 HydrophobicContact CB-CZ2 4.34Å; W279-W544 HydrophobicContact CH2-CB 4.43Å; W279-W544 AromaticContact CH2-CD2 3.43Å; W279-W544 HydrophobicContact CH2-CD2 3.43Å; W279-W544 VanDerWaalsContact CH2-CD2 3.43Å; W279-W544 AromaticContact CH2-CE2 3.59Å; W279-W544 AromaticContact CH2-CE3 3.65Å; W279-W544 HydrophobicContact CH2-CE3 3.65Å; W279-W544 AromaticContact CH2-CG 3.79Å; W279-W544 HydrophobicContact CH2-CG 3.79Å; W279-W544 HydrophobicContact CH2-CH2 4.12Å; W279-W544 AromaticContact CH2-CZ2 3.94Å; W279-W544 HydrophobicContact CH2-CZ2 3.94Å; W279-W544 AromaticContact CH2-CZ3 3.99Å; W279-W544 HydrophobicContact CH2-CZ3 3.99Å; W279-W544 HydrophobicContact CZ2-CD2 4.44Å; W279-W544 HydrophobicContact CZ2-CH2 4.49Å; W279-W544 HydrophobicContact CZ2-CZ2 4.23Å; W279-W544 HydrophobicContact CZ3-CB 4.19Å; W279-W544 HydrophobicContact CZ3-CD2 4.06Å; W279-W544 HydrophobicContact CZ3-CE3 4.27Å; W279-W544 HydrophobicContact CZ3-CG 4.02Å; L280-W544 HydrophobicContact CD2-CE3 4.28Å; L280-W544 HydrophobicContact CD2-CZ3 4.33Å; F540-W544 AromaticContact CD2-CD1 3.7Å; F540-W544 AromaticContact CD2-NE1 3.88Å; F540-W544 AromaticContact CE1-CD1 3.78Å; F540-W544 HydrophobicContact CE1-CG 4.41Å; F540-W544 AromaticContact CE2-CD1 3.46Å; F540-W544 VanDerWaalsContact CE2-CD1 3.46Å; F540-W544 AromaticContact CE2-NE1 3.41Å; F540-W544 AromaticContact CG-CD1 3.97Å; F540-W544 AromaticContact CZ-CD1 3.49Å; F540-W544 VanDerWaalsContact CZ-CD1 3.49Å; F540-W544 HydrophobicContact CZ-CG 4.29Å; F540-W544 AromaticContact CZ-NE1 3.75Å; F540-W544 PolarHBondContact O-N 3.26Å; V541-W544 PolarHBondContact O-N 2.94Å
545T96.6Very high96.8Very high5 Ų533.5 Ų33.53%0.03116%0.164CC..BIsolated β-bridgetrans-134.1160.5-176.679.20000113.2V204 F506 V541 L547V204-T545 CarbonylContact O-C 3.57Å; V204-T545 WeakPolarHBondContact O-CA 3.07Å; V204-T545 WeakPolarHBondContact O-CB 3.44Å; F506-T545 HydrophobicContact CE2-CG2 3.98Å; F506-T545 HydrophobicContact CZ-CG2 3.77Å; V541-T545 WeakPolarHBondContact CG1-OG1 3.26Å; V541-T545 WeakPolarHBondContact O-CB 3.37Å; V541-T545 PolarHBondContact O-N 2.91Å; V541-T545 PolarHBondContact O-OG1 3.49Å; T545-L547 VanDerWaalsContact C-N 3.28Å; T545-L547 HydrophobicContact CG2-CD1 4.32Å; T545-L547 WeakPolarHBondContact OG1-CB 3.42Å; T545-L547 WeakPolarHBondContact OG1-CG 3.32Å; T545-L547 PolarHBondContact OG1-N 3.18Å
546N96.8Very high96.8Very high65 Ų6537.2 Ų37.235%0.34818%0.18SC..  trans-91.915.4169.7-59.1-45000112.1H203 V204 T205 L301H203-N546 PolarHBondContact O-ND2 3.36Å; V204-N546 PolarHBondContact O-N 2.98Å; T205-N546 PolarHBondContact O-ND2 3.32Å; L301-N546 HydrophobicContact CD1-CB 4.32Å
547L97.6Very high96.8Very high16 Ų1635 Ų358%0.08417%0.168CC..  trans-68.6141.4-178.5-63.1176.9000111V204 L301 R303 V510 V541 T545 L549V204-L547 HydrophobicContact CG1-CD1 4.5Å; V204-L547 HydrophobicContact CG1-CD2 4.1Å; V204-L547 HydrophobicContact CG1-CG 4.23Å; L301-L547 HydrophobicContact CD2-CD2 4.23Å; L301-L547 WeakPolarHBondContact O-CA 3.42Å; L301-L547 WeakPolarHBondContact O-CD2 3.4Å; R303-L547 HydrophobicContact CG-CB 4.3Å; R303-L547 HydrophobicContact CG-CD1 4.09Å; R303-L547 HydrophobicContact CG-CD2 4.14Å; R303-L547 HydrophobicContact CG-CG 4.41Å; V510-L547 HydrophobicContact CG2-CD1 4.08Å; V541-L547 HydrophobicContact CG1-CB 4.19Å; V541-L547 HydrophobicContact CG1-CD1 4.24Å; T545-L547 VanDerWaalsContact C-N 3.28Å; T545-L547 HydrophobicContact CG2-CD1 4.32Å; T545-L547 WeakPolarHBondContact OG1-CB 3.42Å; T545-L547 WeakPolarHBondContact OG1-CG 3.32Å; T545-L547 PolarHBondContact OG1-N 3.18Å; L547-L549 HydrophobicContact CB-CD2 4.42Å
548K97.6Very high96.8Very high134 Ų13434.8 Ų34.858%0.58317%0.167SC*.EExtended strand (participates in β ladder)trans-105.3109.5176.2-64.3179.4-178.1179.60108.8L301 R303L301-K548 PolarHBondContact O-N 3.11Å; R303-K548 PolarHBondContact N-O 3.4Å
549L98.3Very high96.9Very high15 Ų1541.1 Ų41.18%0.07919%0.19CC..EExtended strand (participates in β ladder)trans-88.2134.8-178.2-55.3-170000110.7R303 L305 I340 T341 L509 V541 L547R303-L549 HydrophobicContact CB-CD2 3.64Å; R303-L549 HydrophobicContact CG-CD2 4.18Å; L305-L549 HydrophobicContact CD2-CB 3.91Å; L305-L549 HydrophobicContact CD2-CD1 4.05Å; L305-L549 HydrophobicContact CD2-CD2 4.29Å; L305-L549 HydrophobicContact CD2-CG 4.3Å; I340-L549 HydrophobicContact CB-CB 4.21Å; I340-L549 HydrophobicContact CD1-CD1 4.42Å; I340-L549 HydrophobicContact CG1-CB 3.8Å; I340-L549 HydrophobicContact CG1-CD1 3.94Å; I340-L549 HydrophobicContact CG2-CB 4.04Å; T341-L549 PolarHBondContact N-O 3.32Å; L509-L549 HydrophobicContact CD2-CD1 4.14Å; L509-L549 HydrophobicContact CD2-CD2 3.76Å; L509-L549 HydrophobicContact CG-CD2 4.35Å; V541-L549 HydrophobicContact CB-CD1 4.41Å; V541-L549 HydrophobicContact CG1-CD1 4.05Å; V541-L549 HydrophobicContact CG1-CD2 4.1Å; V541-L549 HydrophobicContact CG1-CG 4.29Å; L547-L549 HydrophobicContact CB-CD2 4.42Å
550Q97.9Very high97Very high41 Ų4141.8 Ų41.819%0.19219%0.191CC..EExtended strand (participates in β ladder)trans-150.8155.6178.655.4-169.9-3.100111.5R303 Y304 L305 T341R303-Q550 WeakPolarHBondContact O-CG 3.41Å; R303-Q550 PolarHBondContact O-N 2.85Å; Y304-Q550 CarbonylContact C-O 3.56Å; Y304-Q550 VanDerWaalsContact CA-O 3.23Å; Y304-Q550 WeakPolarHBondContact CA-O 3.34Å; Y304-Q550 HydrophobicContact CD1-CG 3.57Å; Y304-Q550 HydrophobicContact CE1-CG 3.68Å; Y304-Q550 HydrophobicContact CG-CG 4.25Å; Y304-Q550 PolarHBondContact OH-NE2 3.49Å; Y304-Q550 VanDerWaalsContact OH-NE2 3.07Å; L305-Q550 PolarHBondContact N-O 2.97Å; T341-Q550 CarbonylContact O-C 3.57Å; T341-Q550 WeakPolarHBondContact O-CA 3.41Å
551T98.1Very high97.1Very high1 Ų140.7 Ų40.71%0.00619%0.186CC..  trans-117.1140.6175.4-64.10000109.1L305 L306 T341 N342 W376L305-T551 WeakPolarHBondContact O-CA 3.13Å; L305-T551 WeakPolarHBondContact O-CB 3.37Å; L305-T551 WeakPolarHBondContact O-CG2 3.38Å; L305-T551 PolarHBondContact O-OG1 3.41Å; L306-T551 HydrophobicContact CD1-CG2 4.26Å; T341-T551 PolarHBondContact O-N 3.41Å; N342-T551 WeakPolarHBondContact O-CB 3.31Å; W376-T551 HydrophobicContact CH2-CG2 3.83Å; W376-T551 HydrophobicContact CZ3-CG2 3.66Å
552L97.6Very high97.2Very high32 Ų3241 Ų4117%0.16819%0.187CC..  trans-124147.8174.3-71.2178.9000109.5Y304 W376 Q556 L557 K560Y304-L552 HydrophobicContact CD1-CD1 3.47Å; Y304-L552 VanDerWaalsContact CD1-CD1 3.47Å; Y304-L552 HydrophobicContact CD1-CG 3.66Å; Y304-L552 HydrophobicContact CE1-CD1 3.34Å; Y304-L552 HydrophobicContact CE1-CD2 4.49Å; Y304-L552 HydrophobicContact CE1-CG 3.77Å; Y304-L552 HydrophobicContact CG-CD1 4.49Å; W376-L552 VanDerWaalsContact CH2-C 3.49Å; W376-L552 WeakPolarHBondContact CZ3-O 3.4Å; L552-Q556 HydrophobicContact CB-CB 4.35Å; L552-L557 HydrophobicContact CB-CB 4.09Å; L552-L557 HydrophobicContact CB-CD1 4.26Å; L552-L557 HydrophobicContact CD1-CD1 4.43Å; L552-K560 HydrophobicContact CD1-CB 4.34Å
553P97Very high97.3Very high38 Ų3840.9 Ų40.925%0.24719%0.192CC..  trans-53.4142.2169.8-25.734000110.9W376 V555 Q556 L557W376-P553 HydrophobicContact CH2-CB 4.19Å; W376-P553 HydrophobicContact CH2-CG 3.82Å; W376-P553 VanDerWaalsContact CH2-N 3.28Å; W376-P553 HydrophobicContact CZ2-CB 4.29Å; W376-P553 HydrophobicContact CZ2-CG 3.75Å; P553-V555 VanDerWaalsContact C-N 3.26Å; P553-V555 PolarHBondContact O-N 2.93Å; P553-Q556 HydrophobicContact CB-CG 4.38Å; P553-Q556 WeakPolarHBondContact O-CA 3.3Å; P553-Q556 WeakPolarHBondContact O-CB 3.24Å; P553-Q556 PolarHBondContact O-N 3.18Å; P553-L557 PolarHBondContact O-N 3.34Å
554P96Very high97.4Very high2 Ų242.8 Ų42.81%0.01320%0.201CC..Hα-helixtrans-51.7-38.1-170.5-31.134.8000115.3L306 Y418 L557 A558L306-P554 HydrophobicContact CD2-CG 4.04Å; Y418-P554 HydrophobicContact CD1-CB 4.01Å; Y418-P554 HydrophobicContact CD1-CG 3.83Å; Y418-P554 HydrophobicContact CD2-CB 3.77Å; Y418-P554 HydrophobicContact CD2-CG 4.49Å; Y418-P554 HydrophobicContact CE1-CG 4.45Å; Y418-P554 HydrophobicContact CE2-CB 4.43Å; Y418-P554 HydrophobicContact CG-CB 3.52Å; Y418-P554 HydrophobicContact CG-CG 3.85Å; P554-L557 PolarHBondContact O-N 2.78Å; P554-A558 WeakPolarHBondContact O-CB 3.32Å; P554-A558 PolarHBondContact O-N 2.82Å
555V97.7Very high97.4Very high14 Ų1443 Ų439%0.08520%0.202CC..Hα-helixtrans-66.5-40.1177.1179.70000112.6M416 V446 P553 R559M416-V555 VanDerWaalsContact O-CG2 3.3Å; M416-V555 WeakPolarHBondContact O-CG2 3.44Å; V446-V555 HydrophobicContact CG2-CB 4.4Å; V446-V555 HydrophobicContact CG2-CG2 4.08Å; P553-V555 VanDerWaalsContact C-N 3.26Å; P553-V555 PolarHBondContact O-N 2.93Å; V555-R559 WeakPolarHBondContact O-CG 3.49Å; V555-R559 PolarHBondContact O-N 3.27Å
556Q98.2Very high97.4Very high102 Ų10246.3 Ų46.348%0.47722%0.223SC..Hα-helixtrans-72-40.5177.1-59.8-179.420.800110.5L552 P553 A558 R559 K560L552-Q556 HydrophobicContact CB-CB 4.35Å; P553-Q556 HydrophobicContact CB-CG 4.38Å; P553-Q556 WeakPolarHBondContact O-CA 3.3Å; P553-Q556 WeakPolarHBondContact O-CB 3.24Å; P553-Q556 PolarHBondContact O-N 3.18Å; Q556-A558 VanDerWaalsContact C-N 3.29Å; Q556-A558 PolarHBondContact O-N 3.37Å; Q556-R559 PolarHBondContact O-N 2.95Å; Q556-K560 PolarHBondContact O-N 3.29Å
557L98.1Very high97.1Very high1 Ų148.9 Ų48.91%0.00523%0.234CC..Hα-helixtrans-58.7-42.2174.6-170.464.2000111.5Y304 L306 I514 I516 L552 P553 P554 K560 Y561Y304-L557 VanDerWaalsContact CB-CD1 3.47Å; Y304-L557 HydrophobicContact CD1-CD1 4.32Å; Y304-L557 HydrophobicContact CG-CD1 4.05Å; L306-L557 HydrophobicContact CB-CD2 3.98Å; L306-L557 HydrophobicContact CD2-CD2 4.21Å; I514-L557 HydrophobicContact CD1-CD1 4.13Å; I514-L557 HydrophobicContact CG1-CD1 4.41Å; I514-L557 HydrophobicContact CG2-CD1 3.79Å; I514-L557 HydrophobicContact CG2-CD2 4.18Å; I514-L557 HydrophobicContact CG2-CG 4Å; I516-L557 HydrophobicContact CD1-CD2 4.28Å; I516-L557 HydrophobicContact CG1-CD2 4Å; L552-L557 HydrophobicContact CB-CB 4.09Å; L552-L557 HydrophobicContact CB-CD1 4.26Å; L552-L557 HydrophobicContact CD1-CD1 4.43Å; P553-L557 PolarHBondContact O-N 3.34Å; P554-L557 PolarHBondContact O-N 2.78Å; L557-K560 WeakPolarHBondContact O-CB 3.4Å; L557-K560 PolarHBondContact O-N 2.7Å; L557-Y561 PolarHBondContact O-N 2.96Å
558A98.3Very high97Very high0 Ų048.6 Ų48.60%023%0.232CC..Hα-helixtrans-64.3-43.5177.300000113V446 M470 L472 P554 Q556 K560 Y561 F562V446-A558 HydrophobicContact CB-CB 4.33Å; V446-A558 HydrophobicContact CG1-CB 3.77Å; V446-A558 HydrophobicContact CG2-CB 3.48Å; V446-A558 VanDerWaalsContact CG2-CB 3.48Å; M470-A558 HydrophobicContact CB-CB 4.02Å; M470-A558 HydrophobicContact CE-CB 3.78Å; M470-A558 HydrophobicContact SD-CB 3.76Å; L472-A558 HydrophobicContact CD1-CB 3.83Å; L472-A558 HydrophobicContact CD2-CB 4Å; L472-A558 HydrophobicContact CG-CB 4.18Å; P554-A558 WeakPolarHBondContact O-CB 3.32Å; P554-A558 PolarHBondContact O-N 2.82Å; Q556-A558 VanDerWaalsContact C-N 3.29Å; Q556-A558 PolarHBondContact O-N 3.37Å; A558-K560 VanDerWaalsContact C-N 3.33Å; A558-K560 PolarHBondContact O-N 3.26Å; A558-Y561 WeakPolarHBondContact O-CB 3.41Å; A558-Y561 PolarHBondContact O-N 3.14Å; A558-F562 VanDerWaalsContact O-CD2 3.26Å; A558-F562 WeakPolarHBondContact O-CD2 3.36Å; A558-F562 PolarHBondContact O-N 3.32Å; A558-F562 VanDerWaalsContact O-N 3.12Å
559R98.3Very high96.9Very high136 Ų13646.6 Ų46.651%0.51322%0.223SC..Hα-helixtrans-59.5-47.2174.4-70.9173.7180175.2-0.5110.6M470 V555 Q556 Y561 F562 E563M470-R559 HydrophobicContact CE-CG 4.3Å; V555-R559 WeakPolarHBondContact O-CG 3.49Å; V555-R559 PolarHBondContact O-N 3.27Å; Q556-R559 PolarHBondContact O-N 2.95Å; R559-Y561 VanDerWaalsContact C-N 3.28Å; R559-Y561 PolarHBondContact O-N 3.17Å; R559-F562 PolarHBondContact O-N 2.7Å; R559-E563 WeakPolarHBondContact O-CG 3.49Å; R559-E563 PolarHBondContact O-N 3.49Å
560K98.1Very high96.6Very high62 Ų6249.7 Ų49.727%0.2724%0.24SC..Hα-helixtrans-58-41.1176.3-169.870.8-174.8-174.40112Y304 I514 L552 Q556 L557 A558 E563 L564Y304-K560 HydrophobicContact CD2-CG 4.42Å; Y304-K560 HydrophobicContact CE2-CD 4.39Å; Y304-K560 HydrophobicContact CE2-CG 3.93Å; Y304-K560 VanDerWaalsContact OH-CE 3.25Å; Y304-K560 WeakPolarHBondContact OH-CE 3.33Å; I514-K560 HydrophobicContact CD1-CB 4.37Å; I514-K560 HydrophobicContact CD1-CG 4.28Å; L552-K560 HydrophobicContact CD1-CB 4.34Å; Q556-K560 PolarHBondContact O-N 3.29Å; L557-K560 WeakPolarHBondContact O-CB 3.4Å; L557-K560 PolarHBondContact O-N 2.7Å; A558-K560 VanDerWaalsContact C-N 3.33Å; A558-K560 PolarHBondContact O-N 3.26Å; K560-E563 WeakPolarHBondContact O-CB 3.4Å; K560-E563 PolarHBondContact O-N 2.9Å; K560-L564 HydrophobicContact CG-CD1 4.42Å; K560-L564 WeakPolarHBondContact O-CG 3.48Å; K560-L564 PolarHBondContact O-N 3Å
561Y98.1Very high96.4Very high3 Ų347.9 Ų47.91%0.01223%0.232CC..Hα-helixtrans-58.7-50.6176.5-175.8-88.2000112.2R462 G463 L472 P473 I514 L557 A558 R559 E563 L564 F565 Q568R462-Y561 WeakPolarHBondContact CA-OH 3.38Å; G463-Y561 PolarHBondContact N-OH 3.17Å; L472-Y561 HydrophobicContact CD2-CD1 3.83Å; L472-Y561 HydrophobicContact CD2-CD2 4.38Å; L472-Y561 HydrophobicContact CD2-CG 3.71Å; P473-Y561 HydrophobicContact CG-CE2 3.63Å; P473-Y561 WeakPolarHBondContact CG-OH 3.49Å; I514-Y561 HydrophobicContact CB-CD2 4.28Å; I514-Y561 HydrophobicContact CD1-CD2 4.01Å; I514-Y561 HydrophobicContact CD1-CG 4.38Å; I514-Y561 HydrophobicContact CG2-CD2 4.44Å; L557-Y561 PolarHBondContact O-N 2.96Å; A558-Y561 WeakPolarHBondContact O-CB 3.41Å; A558-Y561 PolarHBondContact O-N 3.14Å; R559-Y561 VanDerWaalsContact C-N 3.28Å; R559-Y561 PolarHBondContact O-N 3.17Å; Y561-E563 VanDerWaalsContact C-N 3.3Å; Y561-E563 PolarHBondContact O-N 2.82Å; Y561-L564 PolarHBondContact O-N 3.06Å; Y561-F565 HydrophobicContact CD1-CD2 4.27Å; Y561-F565 AromaticContact CD2-CD2 3.84Å; Y561-F565 HydrophobicContact CD2-CD2 3.84Å; Y561-F565 HydrophobicContact CD2-CE2 4.08Å; Y561-F565 HydrophobicContact CE1-CB 4.36Å; Y561-F565 HydrophobicContact CE1-CD2 4.05Å; Y561-F565 AromaticContact CE2-CD2 3.59Å; Y561-F565 HydrophobicContact CE2-CD2 3.59Å; Y561-F565 AromaticContact CE2-CE2 3.83Å; Y561-F565 HydrophobicContact CE2-CE2 3.83Å; Y561-F565 HydrophobicContact CG-CD2 4.16Å; Y561-F565 AromaticContact CZ-CD2 3.7Å; Y561-F565 WeakPolarHBondContact O-CD2 3.21Å; Y561-F565 PolarHBondContact O-N 3.1Å; Y561-Q568 PolarHBondContact OH-OE1 3.27Å
562F98Very high96.2Very high9 Ų948.8 Ų48.84%0.03924%0.236CC..Hα-helixtrans-79.2-10.6-179.2-69.2-69.1000114.3I465 M470 L472 A558 R559 P566 Q568 K569I465-F562 HydrophobicContact CD1-CD1 4.43Å; I465-F562 HydrophobicContact CD1-CD2 4.3Å; I465-F562 HydrophobicContact CD1-CE1 4.48Å; I465-F562 HydrophobicContact CD1-CE2 4.38Å; I465-F562 HydrophobicContact CD1-CG 4.34Å; I465-F562 HydrophobicContact CD1-CZ 4.46Å; I465-F562 HydrophobicContact CG1-CD1 4.46Å; I465-F562 HydrophobicContact CG1-CD2 4.41Å; I465-F562 HydrophobicContact CG1-CE1 4.02Å; I465-F562 HydrophobicContact CG1-CE2 4Å; I465-F562 HydrophobicContact CG1-CZ 3.77Å; M470-F562 HydrophobicContact CB-CD2 4.26Å; M470-F562 HydrophobicContact CB-CE2 3.66Å; M470-F562 HydrophobicContact CG-CD2 3.78Å; M470-F562 HydrophobicContact CG-CE2 3.6Å; M470-F562 HydrophobicContact SD-CD2 3.7Å; M470-F562 HydrophobicContact SD-CE2 4.1Å; L472-F562 HydrophobicContact CD2-CE2 3.96Å; A558-F562 VanDerWaalsContact O-CD2 3.26Å; A558-F562 WeakPolarHBondContact O-CD2 3.36Å; A558-F562 PolarHBondContact O-N 3.32Å; A558-F562 VanDerWaalsContact O-N 3.12Å; R559-F562 PolarHBondContact O-N 2.7Å; F562-P566 WeakPolarHBondContact O-CA 3.29Å; F562-Q568 WeakPolarHBondContact CE1-O 3.47Å; F562-K569 HydrophobicContact CB-CG 4.23Å; F562-K569 HydrophobicContact CD1-CB 4.39Å; F562-K569 HydrophobicContact CD1-CG 3.57Å; F562-K569 HydrophobicContact CE1-CG 4.27Å; F562-K569 HydrophobicContact CG-CG 4.13Å
563E97.2Very high96.1Very high130 Ų13047.3 Ų47.361%0.60723%0.229SC*.Hα-helixtrans-73.5-41.7162.8-75.2167.5-165.400111.2R559 K560 Y561R559-E563 WeakPolarHBondContact O-CG 3.49Å; R559-E563 PolarHBondContact O-N 3.49Å; K560-E563 WeakPolarHBondContact O-CB 3.4Å; K560-E563 PolarHBondContact O-N 2.9Å; Y561-E563 VanDerWaalsContact C-N 3.3Å; Y561-E563 PolarHBondContact O-N 2.82Å
564L95.3Very high96Very high75 Ų7547.1 Ų47.139%0.39322%0.224SC..Hα-helixtrans-73.4-33.1177-68174.8000112.5P513 I514 K560 Y561P513-L564 HydrophobicContact CB-CD1 4.1Å; I514-L564 HydrophobicContact CD1-CD1 4.06Å; I514-L564 HydrophobicContact CG1-CD1 4.25Å; K560-L564 HydrophobicContact CG-CD1 4.42Å; K560-L564 WeakPolarHBondContact O-CG 3.48Å; K560-L564 PolarHBondContact O-N 3Å; Y561-L564 PolarHBondContact O-N 3.06Å
565F94.9Very high95.9Very high23 Ų2348 Ų4810%0.10123%0.229CC..  trans-129.864.4-174.4-52.6-60.8000112R103 P513 Y561 E567 Q568R103-F565 VanDerWaalsContact CD-CE1 3.43Å; P513-F565 HydrophobicContact CG-CZ 4.22Å; Y561-F565 HydrophobicContact CD1-CD2 4.27Å; Y561-F565 AromaticContact CD2-CD2 3.84Å; Y561-F565 HydrophobicContact CD2-CD2 3.84Å; Y561-F565 HydrophobicContact CD2-CE2 4.08Å; Y561-F565 HydrophobicContact CE1-CB 4.36Å; Y561-F565 HydrophobicContact CE1-CD2 4.05Å; Y561-F565 AromaticContact CE2-CD2 3.59Å; Y561-F565 HydrophobicContact CE2-CD2 3.59Å; Y561-F565 AromaticContact CE2-CE2 3.83Å; Y561-F565 HydrophobicContact CE2-CE2 3.83Å; Y561-F565 HydrophobicContact CG-CD2 4.16Å; Y561-F565 AromaticContact CZ-CD2 3.7Å; Y561-F565 WeakPolarHBondContact O-CD2 3.21Å; Y561-F565 PolarHBondContact O-N 3.1Å; F565-E567 VanDerWaalsContact C-OE2 3.26Å; F565-E567 WeakPolarHBondContact CA-OE2 3.33Å; F565-E567 PolarHBondContact O-N 2.88Å; F565-Q568 HydrophobicContact CB-CB 4.22Å; F565-Q568 HydrophobicContact CB-CG 4.16Å; F565-Q568 PolarHBondContact O-N 2.83Å; F565-Q568 VanDerWaalsContact O-N 3.11Å
566P95.8Very high95.7Very high73 Ų7347.3 Ų47.347%0.47423%0.225SC..G310 helixtrans-62-29-176.326.1-35.4000113.5F562 Q568 K569F562-P566 WeakPolarHBondContact O-CA 3.29Å; P566-Q568 PolarHBondContact O-N 2.71Å; P566-K569 WeakPolarHBondContact O-CG 3.48Å; P566-K569 PolarHBondContact O-N 2.77Å
567E92.3Very high95.3Very high120 Ų12044.1 Ų44.156%0.56121%0.213SC*.G310 helixtrans-69.5-15.8177.976.7-66.3162.500113.6F565F565-E567 VanDerWaalsContact C-OE2 3.26Å; F565-E567 WeakPolarHBondContact CA-OE2 3.33Å; F565-E567 PolarHBondContact O-N 2.88Å
568Q94.4Very high95Very high9 Ų947.8 Ų47.84%0.04223%0.233CC..G310 helixtrans-93.62.7-179.2-65.2172.642.500112.6R462 G463 F464 Y561 F562 F565 P566 D570R462-Q568 HydrophobicContact CB-CG 4.34Å; G463-Q568 CarbonylContact C-O 3.53Å; F464-Q568 VanDerWaalsContact CA-O 3.29Å; F464-Q568 WeakPolarHBondContact CA-O 3.41Å; Y561-Q568 PolarHBondContact OH-OE1 3.27Å; F562-Q568 WeakPolarHBondContact CE1-O 3.47Å; F565-Q568 HydrophobicContact CB-CB 4.22Å; F565-Q568 HydrophobicContact CB-CG 4.16Å; F565-Q568 PolarHBondContact O-N 2.83Å; F565-Q568 VanDerWaalsContact O-N 3.11Å; P566-Q568 PolarHBondContact O-N 2.71Å; Q568-D570 PolarHBondContact O-N 3.44Å
569K95Very high94.7Very high92 Ų9249.3 Ų49.340%0.424%0.241SC..SBendtrans-61.2-38.9173.3-70.2178180175.80111.5I465 F562 P566I465-K569 HydrophobicContact CD1-CB 4.1Å; I465-K569 HydrophobicContact CD1-CD 4.39Å; I465-K569 HydrophobicContact CD1-CG 3.86Å; I465-K569 HydrophobicContact CG1-CB 4.43Å; I465-K569 PolarHBondContact N-O 3.13Å; F562-K569 HydrophobicContact CB-CG 4.23Å; F562-K569 HydrophobicContact CD1-CB 4.39Å; F562-K569 HydrophobicContact CD1-CG 3.57Å; F562-K569 HydrophobicContact CE1-CG 4.27Å; F562-K569 HydrophobicContact CG-CG 4.13Å; P566-K569 WeakPolarHBondContact O-CG 3.48Å; P566-K569 PolarHBondContact O-N 2.77Å
570D92.6Very high94.4Very high81 Ų8149.9 Ų49.943%0.43325%0.247SC..SBendtrans-79.3126.6-179.4-70.5-10.5000109.9Q568 H643 R680Q568-D570 PolarHBondContact O-N 3.44Å; D570-H643 IonicContact OD1-CE1 3.53Å; D570-H643 PolarHBondContact OD1-CE1 3.25Å; D570-H643 IonicContact OD1-NE2 3.88Å; D570-R680 IonicContact OD2-NH2 3.99Å
571P94.1Very high94.2Very high3 Ų351 Ų512%0.01925%0.25CC..  trans-64.6162.817428.1-32.9000110.2F464 W573 Y642F464-P571 HydrophobicContact CB-CB 4Å; F464-P571 HydrophobicContact CD2-CB 4.01Å; F464-P571 HydrophobicContact CG-CB 4.25Å; P571-W573 HydrophobicContact CB-CD2 3.98Å; P571-W573 HydrophobicContact CB-CE3 3.89Å; P571-W573 HydrophobicContact CB-CH2 3.32Å; P571-W573 HydrophobicContact CB-CZ2 3.4Å; P571-W573 VanDerWaalsContact CB-CZ2 3.4Å; P571-W573 HydrophobicContact CB-CZ3 3.56Å; P571-W573 HydrophobicContact CG-CD2 4.4Å; P571-W573 HydrophobicContact CG-CH2 3.61Å; P571-W573 HydrophobicContact CG-CZ2 3.21Å; P571-W573 HydrophobicContact CG-CZ3 4.33Å; P571-Y642 VanDerWaalsContact O-CE1 3.26Å; P571-Y642 WeakPolarHBondContact O-CE1 3.47Å
572L94.3Very high94Very high20 Ų2050.8 Ų50.811%0.10525%0.249CC..  trans-135.9101.6166-176.174.5000106.8Y452 Q574 Y642 K679 R680 S683Y452-L572 WeakPolarHBondContact CE2-O 3.2Å; Y452-L572 WeakPolarHBondContact OH-CA 3.45Å; Y452-L572 WeakPolarHBondContact OH-CB 3.29Å; Y452-L572 PolarHBondContact OH-N 3.47Å; Y452-L572 PolarHBondContact OH-O 3.04Å; L572-Q574 PolarHBondContact O-N 3.25Å; L572-Y642 WeakPolarHBondContact CA-OH 3.32Å; L572-K679 HydrophobicContact CD1-CG 4.2Å; L572-R680 HydrophobicContact CD1-CB 4.41Å; L572-R680 HydrophobicContact CD1-CG 3.91Å; L572-S683 WeakPolarHBondContact CG-OG 3.42Å
573W95.4Very high93.7Very high1 Ų156.6 Ų56.60%0.00427%0.271CS..  trans-71.5117.3-175.2-53.7133.1000110.8Y428 V430 F464 H466 P571 F636 Y642 I646 S683 L684Y428-W573 HydrophobicContact CE2-CE3 4.06Å; Y428-W573 HydrophobicContact CE2-CZ3 4.32Å; V430-W573 HydrophobicContact CG2-CH2 4.08Å; V430-W573 HydrophobicContact CG2-CZ3 3.85Å; F464-W573 HydrophobicContact CD2-CH2 4.11Å; F464-W573 HydrophobicContact CD2-CZ3 4.2Å; F464-W573 AromaticContact CE2-CH2 3.99Å; F464-W573 HydrophobicContact CE2-CH2 3.99Å; F464-W573 AromaticContact CE2-CZ3 3.94Å; F464-W573 HydrophobicContact CE2-CZ3 3.94Å; H466-W573 HydrophobicContact CB-CH2 4.25Å; H466-W573 AromaticContact ND1-CH2 3.86Å; H466-W573 AromaticContact ND1-CZ2 3.9Å; P571-W573 HydrophobicContact CB-CD2 3.98Å; P571-W573 HydrophobicContact CB-CE3 3.89Å; P571-W573 HydrophobicContact CB-CH2 3.32Å; P571-W573 HydrophobicContact CB-CZ2 3.4Å; P571-W573 VanDerWaalsContact CB-CZ2 3.4Å; P571-W573 HydrophobicContact CB-CZ3 3.56Å; P571-W573 HydrophobicContact CG-CD2 4.4Å; P571-W573 HydrophobicContact CG-CH2 3.61Å; P571-W573 HydrophobicContact CG-CZ2 3.21Å; P571-W573 HydrophobicContact CG-CZ3 4.33Å; W573-F636 AromaticContact CD1-CZ 3.8Å; W573-Y642 AromaticContact CD1-CE1 3.62Å; W573-Y642 AromaticContact CD1-CE2 3.47Å; W573-Y642 VanDerWaalsContact CD1-CE2 3.47Å; W573-Y642 AromaticContact CD1-CZ 3.25Å; W573-Y642 HydrophobicContact CG-CE1 4.32Å; W573-Y642 HydrophobicContact CG-CE2 4.38Å; W573-Y642 AromaticContact CG-CZ 3.9Å; W573-Y642 PolarHBondContact N-OH 2.94Å; W573-Y642 AromaticContact NE1-CD1 3.97Å; W573-Y642 AromaticContact NE1-CE1 3.76Å; W573-Y642 AromaticContact NE1-CZ 3.88Å; W573-Y642 PolarHBondContact NE1-O 3.33Å; W573-I646 HydrophobicContact CB-CD1 3.88Å; W573-I646 HydrophobicContact CB-CG1 3.72Å; W573-I646 HydrophobicContact CD2-CG1 4.3Å; W573-I646 HydrophobicContact CG-CD1 4.38Å; W573-I646 HydrophobicContact CG-CG1 3.83Å; W573-S683 VanDerWaalsContact C-OG 3.29Å; W573-S683 CarbonylContact O-C 3.59Å; W573-S683 WeakPolarHBondContact O-CB 3.47Å; W573-S683 PolarHBondContact O-OG 2.84Å; W573-L684 HydrophobicContact CB-CD1 4.37Å; W573-L684 WeakPolarHBondContact O-CA 3.32Å; W573-L684 PolarHBondContact O-N 3.37Å
574Q94.4Very high93.5Very high34 Ų3454.9 Ų54.916%0.15927%0.265CS..  trans-82.1162.9169.9-55.3-60.8-42.100110.2Y428 P453 L572 P576 S683 L684Y428-Q574 WeakPolarHBondContact OH-CB 3.29Å; Y428-Q574 WeakPolarHBondContact OH-CG 3.23Å; Y428-Q574 PolarHBondContact OH-N 3.46Å; P453-Q574 HydrophobicContact CB-CG 3.82Å; L572-Q574 PolarHBondContact O-N 3.25Å; Q574-P576 WeakPolarHBondContact O-CD 3.11Å; Q574-S683 CarbonylContact C-O 3.55Å; Q574-S683 VanDerWaalsContact CA-O 3.31Å; Q574-S683 WeakPolarHBondContact CA-O 3.26Å; Q574-S683 VanDerWaalsContact CD-OG 3.22Å; Q574-S683 PolarHBondContact NE2-OG 3.25Å; Q574-S683 PolarHBondContact OE1-O 3.2Å; Q574-S683 PolarHBondContact OE1-OG 3.32Å; Q574-L684 WeakPolarHBondContact O-CD1 3.19Å
575N94.3Very high93.4Very high20 Ų2052 Ų5211%0.10725%0.25CS..  trans-69111.4167.4-171.2-11000110.8C577 D578 C592 S683 L684N575-C577 PolarHBondContact O-N 2.74Å; N575-C577 VanDerWaalsContact O-N 3.11Å; N575-C577 PolarHBondContact OD1-N 2.76Å; N575-C577 VanDerWaalsContact OD1-N 3.09Å; N575-D578 HydrophobicContact CB-CB 4.27Å; N575-D578 VanDerWaalsContact CB-OD2 3.27Å; N575-D578 WeakPolarHBondContact CB-OD2 3.4Å; N575-D578 PolarHBondContact ND2-OD2 3.27Å; N575-D578 PolarHBondContact O-N 3.06Å; N575-C592 PolarHBondContact OD1-SG 2.81Å; N575-S683 PolarHBondContact N-O 3.13Å; N575-L684 VanDerWaalsContact CB-O 3.24Å; N575-L684 WeakPolarHBondContact CB-O 3.42Å
576P92.3Very high93.2Very high0 Ų051.5 Ų51.50%025%0.248CC..THydrogen-bonded Turntrans-62.7-20.7-179.6-23.136.6000113.8P429 Q574 H582 R583 W586 I646P429-P576 HydrophobicContact CB-CB 4.28Å; P429-P576 HydrophobicContact CB-CG 4.23Å; P429-P576 HydrophobicContact CG-CB 3.86Å; P429-P576 HydrophobicContact CG-CG 4.3Å; Q574-P576 WeakPolarHBondContact O-CD 3.11Å; P576-H582 WeakPolarHBondContact O-CB 3.41Å; P576-R583 PolarHBondContact O-N 3.08Å; P576-W586 HydrophobicContact CB-CD2 4.08Å; P576-W586 HydrophobicContact CB-CE3 4.13Å; P576-W586 HydrophobicContact CB-CH2 4.5Å; P576-W586 HydrophobicContact CB-CZ2 4.46Å; P576-W586 HydrophobicContact CB-CZ3 4.34Å; P576-W586 HydrophobicContact CG-CH2 4.36Å; P576-W586 HydrophobicContact CG-CZ2 4.1Å; P576-I646 HydrophobicContact CG-CD1 3.99Å
577C90.8Very high92.8Very high35 Ų3548.2 Ų48.224%0.23623%0.227CC..THydrogen-bonded Turntrans-88.2-14.8-177-620000114.5N575 C592N575-C577 PolarHBondContact O-N 2.74Å; N575-C577 VanDerWaalsContact O-N 3.11Å; N575-C577 PolarHBondContact OD1-N 2.76Å; N575-C577 VanDerWaalsContact OD1-N 3.09Å; C577-C592 HydrophobicContact CB-CB 3.68Å; C577-C592 WeakPolarHBondContact CB-SG 3.33Å; C577-C592 WeakPolarHBondContact SG-CB 3.42Å; C577-C592 CovalentContact SG-SG 2.01Å; C577-C592 PolarHBondContact SG-SG 3.15Å
578D91.6Very high92.5Very high78 Ų7851.5 Ų51.542%0.41724%0.239SC..SBendtrans-79.4-10.4175.5-71.4-39.2000111.6N575 K687N575-D578 HydrophobicContact CB-CB 4.27Å; N575-D578 VanDerWaalsContact CB-OD2 3.27Å; N575-D578 WeakPolarHBondContact CB-OD2 3.4Å; N575-D578 PolarHBondContact ND2-OD2 3.27Å; N575-D578 PolarHBondContact O-N 3.06Å; D578-K687 IonicContact OD1-NZ 2.73Å; D578-K687 PolarHBondContact OD1-NZ 2.75Å
579D91.9Very high92Very high31 Ų3156.8 Ų56.817%0.16626%0.264CS..SBendtrans-117.1121.4176.2-172.1-46.2000110.5H454 R581 H582 R583H454-D579 IonicContact CE1-OD2 3.48Å; H454-D579 IonicContact CG-OD2 3.37Å; H454-D579 IonicContact ND1-OD2 2.8Å; H454-D579 PolarHBondContact ND1-OD2 3.37Å; D579-R581 VanDerWaalsContact C-N 3.31Å; D579-R581 PolarHBondContact O-N 3.3Å; D579-R581 WeakPolarHBondContact OD1-CB 3.29Å; D579-R581 PolarHBondContact OD1-N 3Å; D579-H582 HydrophobicContact CB-CB 3.95Å; D579-H582 PolarHBondContact O-N 2.89Å; D579-H582 PolarHBondContact OD1-N 3.11Å; D579-H582 IonicContact OD2-CE1 2.75Å; D579-H582 IonicContact OD2-ND1 3.46Å; D579-R583 PolarHBondContact O-N 3.18Å
580K92.6Very high91.6Very high148 Ų14854 Ų5464%0.64325%0.252SS*.Hα-helixtrans-58.2-43.8-178.9-179.5-177.3173.6-173.50111.5R583 D584K580-R583 PolarHBondContact O-N 3.44Å; K580-D584 PolarHBondContact O-N 3.26Å
581R92.3Very high91.3Very high85 Ų8552.1 Ų52.132%0.32124%0.243SC..Hα-helixtrans-68.3-43.8-176.5-178.6169.2174.1160.5-8.8110.4E450 E451 D579 R583 D584 I585E450-R581 IonicContact OE1-CZ 2.64Å; E450-R581 IonicContact OE1-NH1 3.9Å; E450-R581 PolarHBondContact OE1-NH1 3.35Å; E450-R581 IonicContact OE1-NH2 3.16Å; E450-R581 PolarHBondContact OE1-NH2 3.03Å; E451-R581 IonicContact OE1-CZ 2.67Å; E451-R581 IonicContact OE1-NE 2.68Å; E451-R581 PolarHBondContact OE1-NE 2.89Å; E451-R581 IonicContact OE1-NH2 3.24Å; E451-R581 PolarHBondContact OE1-NH2 2.99Å; E451-R581 IonicContact OE2-CZ 3.46Å; E451-R581 IonicContact OE2-NE 3.33Å; E451-R581 PolarHBondContact OE2-NE 3.28Å; D579-R581 VanDerWaalsContact C-N 3.31Å; D579-R581 PolarHBondContact O-N 3.3Å; D579-R581 WeakPolarHBondContact OD1-CB 3.29Å; D579-R581 PolarHBondContact OD1-N 3Å; R581-R583 VanDerWaalsContact C-N 3.31Å; R581-R583 PolarHBondContact O-N 3.47Å; R581-D584 PolarHBondContact O-N 3.06Å; R581-D584 VanDerWaalsContact O-N 3.15Å; R581-I585 WeakPolarHBondContact O-CG1 3.43Å; R581-I585 PolarHBondContact O-N 2.94Å; R581-I585 VanDerWaalsContact O-N 3.13Å
582H94.6Very high90.9Very high0 Ų053 Ų530%025%0.249CC..Hα-helixtrans-59.2-42.5175.7-69.5166.8000112.2Y428 P429 E451 P453 H454 P576 D579 D584 I585 W586Y428-H582 AromaticContact CD1-CE1 3.98Å; Y428-H582 AromaticContact CD1-NE2 3.87Å; Y428-H582 AromaticContact CE1-CE1 3.53Å; Y428-H582 AromaticContact CE1-ND1 3.89Å; Y428-H582 AromaticContact CE1-NE2 3.9Å; P429-H582 HydrophobicContact CG-CB 3.63Å; E451-H582 PolarHBondContact O-CE1 2.89Å; E451-H582 PolarHBondContact O-NE2 3.16Å; E451-H582 IonicContact OE2-CD2 2.66Å; E451-H582 IonicContact OE2-NE2 2.66Å; P453-H582 PolarHBondContact O-CE1 3.18Å; H454-H582 AromaticContact ND1-CE1 3.56Å; P576-H582 WeakPolarHBondContact O-CB 3.41Å; D579-H582 HydrophobicContact CB-CB 3.95Å; D579-H582 PolarHBondContact O-N 2.89Å; D579-H582 PolarHBondContact OD1-N 3.11Å; D579-H582 IonicContact OD2-CE1 2.75Å; D579-H582 IonicContact OD2-ND1 3.46Å; H582-D584 VanDerWaalsContact C-N 3.34Å; H582-D584 PolarHBondContact O-N 2.79Å; H582-I585 CarbonylContact O-C 3.01Å; H582-I585 PolarHBondContact O-N 2.78Å; H582-W586 VanDerWaalsContact O-CB 3.31Å; H582-W586 WeakPolarHBondContact O-CB 3.45Å; H582-W586 PolarHBondContact O-N 3.4Å; H582-W586 VanDerWaalsContact O-N 3.08Å
583R92.6Very high90.5Very high131 Ų13157.2 Ų57.249%0.49427%0.272SS..Hα-helixtrans-61.7-40.9175.1-173.1177.363.9-154.7-0.1112.5P576 D579 K580 R581 I585 W586P576-R583 PolarHBondContact O-N 3.08Å; D579-R583 PolarHBondContact O-N 3.18Å; K580-R583 PolarHBondContact O-N 3.44Å; R581-R583 VanDerWaalsContact C-N 3.31Å; R581-R583 PolarHBondContact O-N 3.47Å; R583-I585 VanDerWaalsContact C-N 3.28Å; R583-I585 PolarHBondContact O-N 3.07Å; R583-W586 PolarHBondContact O-N 3.16Å
584D92.5Very high90.3Very high93 Ų9359.2 Ų59.250%0.49728%0.279SS..Hα-helixtrans-67.4-28.1-178.9-65.9-16.3000112.4K580 R581 H582K580-D584 PolarHBondContact O-N 3.26Å; R581-D584 PolarHBondContact O-N 3.06Å; R581-D584 VanDerWaalsContact O-N 3.15Å; H582-D584 VanDerWaalsContact C-N 3.34Å; H582-D584 PolarHBondContact O-N 2.79Å
585I92.6Very high90.2Very high14 Ų1458.1 Ų58.17%0.07227%0.274CS..THydrogen-bonded Turntrans-10514.5177.170179000113.8H388 E451 R581 H582 R583H388-I585 WeakPolarHBondContact CB-O 3.43Å; H388-I585 PolarHBondContact ND1-O 3.34Å; E451-I585 HydrophobicContact CG-CD1 3.93Å; R581-I585 WeakPolarHBondContact O-CG1 3.43Å; R581-I585 PolarHBondContact O-N 2.94Å; R581-I585 VanDerWaalsContact O-N 3.13Å; H582-I585 CarbonylContact O-C 3.01Å; H582-I585 PolarHBondContact O-N 2.78Å; R583-I585 VanDerWaalsContact C-N 3.28Å; R583-I585 PolarHBondContact O-N 3.07Å
586W91Very high90.3Very high13 Ų1357.3 Ų57.35%0.04927%0.27CS..SBendtrans-96.6156.8173.7-158.237.9000110.5H388 P429 P576 H582 R583 K588 K590 M650H388-W586 PolarHBondContact CD2-O 3.11Å; P429-W586 HydrophobicContact CB-CG 4.36Å; P576-W586 HydrophobicContact CB-CD2 4.08Å; P576-W586 HydrophobicContact CB-CE3 4.13Å; P576-W586 HydrophobicContact CB-CH2 4.5Å; P576-W586 HydrophobicContact CB-CZ2 4.46Å; P576-W586 HydrophobicContact CB-CZ3 4.34Å; P576-W586 HydrophobicContact CG-CH2 4.36Å; P576-W586 HydrophobicContact CG-CZ2 4.1Å; H582-W586 VanDerWaalsContact O-CB 3.31Å; H582-W586 WeakPolarHBondContact O-CB 3.45Å; H582-W586 PolarHBondContact O-N 3.4Å; H582-W586 VanDerWaalsContact O-N 3.08Å; R583-W586 PolarHBondContact O-N 3.16Å; W586-K588 PolarHBondContact O-N 2.81Å; W586-K590 HydrophobicContact CD2-CB 3.81Å; W586-K590 HydrophobicContact CD2-CD 4.13Å; W586-K590 HydrophobicContact CE3-CB 3.89Å; W586-K590 HydrophobicContact CG-CD 4.42Å; W586-K590 HydrophobicContact CH2-CB 3.61Å; W586-K590 HydrophobicContact CZ2-CB 3.51Å; W586-K590 HydrophobicContact CZ2-CD 3.68Å; W586-K590 HydrophobicContact CZ2-CG 4.2Å; W586-K590 HydrophobicContact CZ3-CB 3.8Å; W586-M650 HydrophobicContact CH2-CE 3.8Å; W586-M650 HydrophobicContact CH2-SD 3.85Å; W586-M650 HydrophobicContact CZ2-CE 4.25Å; W586-M650 HydrophobicContact CZ2-SD 3.78Å
587S87.5Confident90.4Very high5 Ų561.8 Ų61.84%0.03529%0.29CS..  trans-64.4133.5177.8169.20000110.2E589 K590S587-E589 PolarHBondContact O-N 3.37Å; S587-E589 VanDerWaalsContact O-N 3.13Å; S587-E589 PolarHBondContact OG-N 3.48Å; S587-K590 WeakPolarHBondContact O-CB 3.44Å; S587-K590 PolarHBondContact O-N 3.27Å
588K86.1Confident90.7Very high188 Ų18860.1 Ų60.182%0.81728%0.278SS*.THydrogen-bonded Turntrans-62.2-17.5177.7-69-177.5178178.10113.8W586 K590W586-K588 PolarHBondContact O-N 2.81Å; K588-K590 PolarHBondContact O-N 3.24Å
589E83.8Confident91.1Very high120 Ų12056.4 Ų56.456%0.56126%0.259SS*.THydrogen-bonded Turntrans-77.6-11.6176.2-62.1174.7177.500112.7H391 S587H391-E589 IonicContact CE1-OE1 3.6Å; H391-E589 IonicContact CG-OE1 3.05Å; H391-E589 IonicContact ND1-OE1 3.58Å; H391-E589 PolarHBondContact ND1-OE1 3.39Å; S587-E589 PolarHBondContact O-N 3.37Å; S587-E589 VanDerWaalsContact O-N 3.13Å; S587-E589 PolarHBondContact OG-N 3.48Å
590K87Confident91.4Very high35 Ų3555 Ų5515%0.15225%0.251CS..  trans-102.3137.8-177.8-57.8178.3-179.4-175.30109.9W586 S587 K588 D647W586-K590 HydrophobicContact CD2-CB 3.81Å; W586-K590 HydrophobicContact CD2-CD 4.13Å; W586-K590 HydrophobicContact CE3-CB 3.89Å; W586-K590 HydrophobicContact CG-CD 4.42Å; W586-K590 HydrophobicContact CH2-CB 3.61Å; W586-K590 HydrophobicContact CZ2-CB 3.51Å; W586-K590 HydrophobicContact CZ2-CD 3.68Å; W586-K590 HydrophobicContact CZ2-CG 4.2Å; W586-K590 HydrophobicContact CZ3-CB 3.8Å; S587-K590 WeakPolarHBondContact O-CB 3.44Å; S587-K590 PolarHBondContact O-N 3.27Å; K588-K590 PolarHBondContact O-N 3.24Å; K590-D647 WeakPolarHBondContact CE-OD1 3.23Å; K590-D647 IonicContact NZ-OD1 3.51Å; K590-D647 PolarHBondContact NZ-OD1 3.23Å; K590-D647 IonicContact NZ-OD2 2.7Å; K590-D647 PolarHBondContact NZ-OD2 2.7Å
591T86.5Confident91.7Very high41 Ų4148 Ų4825%0.25222%0.221SC..  trans-137140.5175175.60000110.3D593 R594 M650T591-D593 HydrophobicContact CG2-CB 4.12Å; T591-D593 PolarHBondContact O-N 3.48Å; T591-D593 VanDerWaalsContact OG1-CG 3.29Å; T591-D593 PolarHBondContact OG1-N 2.76Å; T591-D593 VanDerWaalsContact OG1-N 3.1Å; T591-D593 PolarHBondContact OG1-OD2 2.92Å; T591-R594 HydrophobicContact CG2-CG 4.04Å; T591-R594 PolarHBondContact O-N 3.13Å; T591-M650 WeakPolarHBondContact O-CE 3.36Å
592C84.9Confident91.9Very high21 Ų2144 Ų4414%0.14221%0.205CC..G310 helixtrans-70.2-8.2173.6-60.10000113.4N575 C577 R594 L595N575-C592 PolarHBondContact OD1-SG 2.81Å; C577-C592 HydrophobicContact CB-CB 3.68Å; C577-C592 WeakPolarHBondContact CB-SG 3.33Å; C577-C592 WeakPolarHBondContact SG-CB 3.42Å; C577-C592 CovalentContact SG-SG 2.01Å; C577-C592 PolarHBondContact SG-SG 3.15Å; C592-R594 PolarHBondContact O-N 3.14Å; C592-R594 VanDerWaalsContact O-N 3.16Å; C592-L595 HydrophobicContact CB-CD1 4.11Å; C592-L595 WeakPolarHBondContact O-CB 3.32Å; C592-L595 PolarHBondContact O-N 3.14Å
593D87Confident92Very high108 Ų10844 Ų4458%0.57821%0.205SC*.G310 helixtrans-63.1-19171.2-54.5-45.2000111.7T591 L595 P656 L664T591-D593 HydrophobicContact CG2-CB 4.12Å; T591-D593 PolarHBondContact O-N 3.48Å; T591-D593 VanDerWaalsContact OG1-CG 3.29Å; T591-D593 PolarHBondContact OG1-N 2.76Å; T591-D593 VanDerWaalsContact OG1-N 3.1Å; T591-D593 PolarHBondContact OG1-OD2 2.92Å; D593-L595 VanDerWaalsContact C-N 3.3Å; D593-P656 HydrophobicContact CB-CB 4.37Å; D593-P656 HydrophobicContact CB-CG 3.69Å; D593-P656 WeakPolarHBondContact O-CG 3.38Å; D593-L664 WeakPolarHBondContact O-CD1 3.31Å
594R89.4Confident92.2Very high43 Ų4339.7 Ų39.716%0.16219%0.191CC..G310 helixtrans-79.1-3.8171.9-70.2-177.272.8-170.2-0.4114.1T591 C592 M650 D651 F653T591-R594 HydrophobicContact CG2-CG 4.04Å; T591-R594 PolarHBondContact O-N 3.13Å; C592-R594 PolarHBondContact O-N 3.14Å; C592-R594 VanDerWaalsContact O-N 3.16Å; R594-M650 HydrophobicContact CB-CE 3.78Å; R594-M650 PolarHBondContact NH2-O 2.84Å; R594-D651 IonicContact NH2-OD1 3.94Å; R594-F653 PolarHBondContact NE-O 3.5Å; R594-F653 PolarHBondContact NH2-O 3.26Å; R594-F653 WeakPolarHBondContact O-CB 3.49Å; R594-F653 WeakPolarHBondContact O-CD2 3.44Å; R594-F653 VanDerWaalsContact O-CG 3.3Å; R594-F653 WeakPolarHBondContact O-CG 3.36Å
595L93.2Very high92.3Very high11 Ų1137.5 Ų37.56%0.05818%0.177CC..SBendtrans-86.8145.6175.9-65.8174.4000110.8C592 D593 Y649 M650 L684 I685C592-L595 HydrophobicContact CB-CD1 4.11Å; C592-L595 WeakPolarHBondContact O-CB 3.32Å; C592-L595 PolarHBondContact O-N 3.14Å; D593-L595 VanDerWaalsContact C-N 3.3Å; L595-Y649 HydrophobicContact CD2-CD1 3.93Å; L595-Y649 HydrophobicContact CD2-CE1 4.15Å; L595-M650 HydrophobicContact CD2-CG 3.86Å; L595-L684 HydrophobicContact CD1-CD1 4.34Å; L595-L684 HydrophobicContact CD2-CD2 4.47Å; L595-I685 HydrophobicContact CB-CG2 3.93Å; L595-I685 HydrophobicContact CD1-CG2 4.07Å; L595-I685 HydrophobicContact CG-CG2 4.45Å
596P95.3Very high92.5Very high3 Ų337.1 Ų37.12%0.01918%0.176CC..  trans-67.6138.2179.425.9-30.8000111.8L599 Y649 F653 L664 I685P596-L599 HydrophobicContact CG-CD2 4.1Å; P596-Y649 HydrophobicContact CG-CE1 4Å; P596-Y649 WeakPolarHBondContact CG-OH 3.35Å; P596-F653 HydrophobicContact CB-CE1 3.87Å; P596-F653 HydrophobicContact CB-CZ 3.93Å; P596-F653 HydrophobicContact CG-CE1 4.08Å; P596-F653 HydrophobicContact CG-CE2 4.18Å; P596-F653 HydrophobicContact CG-CZ 3.6Å; P596-L664 CarbonylContact C-O 3.58Å; P596-L664 VanDerWaalsContact CA-O 3.31Å; P596-L664 WeakPolarHBondContact CA-O 3.48Å; P596-I685 HydrophobicContact CG-CD1 4.19Å
597K95.4Very high92.8Very high95 Ų9537.9 Ų37.941%0.41319%0.187SC..SBendtrans-81.3-17.3175.6-65.6-176.2-179.1163.70112.5D662 F663 L664 A688 K689K597-D662 WeakPolarHBondContact CE-O 3.2Å; K597-D662 PolarHBondContact NZ-O 2.79Å; K597-F663 HydrophobicContact CB-CD1 4.29Å; K597-F663 HydrophobicContact CD-CD1 3.8Å; K597-F663 HydrophobicContact CD-CE1 4.1Å; K597-F663 HydrophobicContact CD-CG 4.28Å; K597-L664 PolarHBondContact N-O 3.08Å; K597-A688 VanDerWaalsContact O-CA 3.23Å; K597-A688 WeakPolarHBondContact O-CA 3.3Å; K597-K689 PolarHBondContact O-N 2.66Å
598F97.9Very high93.2Very high0 Ų038 Ų380%019%0.188CC..EExtended strand (participates in β ladder)trans-152.4158.817470.3-86.1000112.9V600 L615 I621 F663 F665 K689 I691 L787F598-V600 HydrophobicContact CE2-CG2 4.31Å; F598-L615 HydrophobicContact CE2-CD1 3.93Å; F598-L615 HydrophobicContact CE2-CD2 4.3Å; F598-L615 HydrophobicContact CZ-CD1 4.26Å; F598-L615 HydrophobicContact CZ-CD2 4.05Å; F598-I621 HydrophobicContact CE1-CG2 4.23Å; F598-I621 HydrophobicContact CZ-CG2 3.95Å; F598-F663 HydrophobicContact CE1-CB 4.38Å; F598-F665 HydrophobicContact CD1-CB 3.69Å; F598-F665 HydrophobicContact CD2-CB 3.73Å; F598-F665 HydrophobicContact CD2-CG 4.36Å; F598-F665 HydrophobicContact CE1-CB 3.38Å; F598-F665 HydrophobicContact CE1-CD1 4.26Å; F598-F665 AromaticContact CE1-CG 3.98Å; F598-F665 HydrophobicContact CE1-CG 3.98Å; F598-F665 HydrophobicContact CE2-CB 3.4Å; F598-F665 VanDerWaalsContact CE2-CB 3.4Å; F598-F665 HydrophobicContact CE2-CD1 4.37Å; F598-F665 AromaticContact CE2-CD2 3.72Å; F598-F665 HydrophobicContact CE2-CD2 3.72Å; F598-F665 AromaticContact CE2-CG 3.58Å; F598-F665 HydrophobicContact CE2-CG 3.58Å; F598-F665 HydrophobicContact CG-CB 3.86Å; F598-F665 HydrophobicContact CZ-CB 3.22Å; F598-F665 AromaticContact CZ-CD1 3.73Å; F598-F665 HydrophobicContact CZ-CD1 3.73Å; F598-F665 AromaticContact CZ-CD2 3.93Å; F598-F665 HydrophobicContact CZ-CD2 3.93Å; F598-F665 AromaticContact CZ-CG 3.36Å; F598-F665 HydrophobicContact CZ-CG 3.36Å; F598-F665 WeakPolarHBondContact O-CA 3.38Å; F598-F665 WeakPolarHBondContact O-CB 3.44Å; F598-K689 CarbonylContact C-O 3.41Å; F598-K689 WeakPolarHBondContact CA-O 3.08Å; F598-K689 HydrophobicContact CB-CB 3.8Å; F598-K689 WeakPolarHBondContact CB-O 3.28Å; F598-I691 HydrophobicContact CD2-CD1 3.84Å; F598-I691 HydrophobicContact CE2-CD1 4.05Å; F598-L787 HydrophobicContact CB-CD2 3.89Å; F598-L787 HydrophobicContact CD1-CD1 4.17Å; F598-L787 HydrophobicContact CD1-CD2 3.59Å; F598-L787 HydrophobicContact CD2-CD2 4Å; F598-L787 HydrophobicContact CE1-CD1 3.68Å; F598-L787 HydrophobicContact CE1-CD2 4.01Å; F598-L787 HydrophobicContact CE1-CG 4.5Å; F598-L787 HydrophobicContact CE2-CD1 4.13Å; F598-L787 HydrophobicContact CE2-CD2 4.4Å; F598-L787 HydrophobicContact CG-CD2 3.58Å; F598-L787 HydrophobicContact CZ-CD1 3.67Å; F598-L787 HydrophobicContact CZ-CD2 4.4Å
599L98.7Very high93.6Very high0 Ų029.9 Ų29.90%015%0.154CC..EExtended strand (participates in β ladder)trans-123.1132-180-58-179.7000110.7P596 V601 F637 E666 A681 I685 K689 I690 I691P596-L599 HydrophobicContact CG-CD2 4.1Å; L599-V601 HydrophobicContact CB-CG1 3.81Å; L599-F637 HydrophobicContact CD1-CD2 4.28Å; L599-F637 HydrophobicContact CD1-CE2 4.02Å; L599-F637 HydrophobicContact CD2-CE2 4.33Å; L599-E666 HydrophobicContact CD2-CG 3.4Å; L599-E666 VanDerWaalsContact CD2-CG 3.4Å; L599-A681 HydrophobicContact CD1-CB 3.95Å; L599-I685 HydrophobicContact CD1-CD1 3.88Å; L599-I685 HydrophobicContact CD2-CD1 3.86Å; L599-I685 HydrophobicContact CG-CD1 3.93Å; L599-K689 PolarHBondContact N-O 2.66Å; L599-I690 HydrophobicContact CB-CD1 4.14Å; L599-I690 HydrophobicContact CD1-CD1 4.07Å; L599-I690 HydrophobicContact CG-CD1 4.33Å; L599-I691 PolarHBondContact O-N 3.25Å
600V98.6Very high94.2Very high1 Ų125 Ų251%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-93.9101.9164.3-178.50000108.4F598 T608 L611 L615 F665 E666 K667 S668 I691F598-V600 HydrophobicContact CE2-CG2 4.31Å; V600-T608 HydrophobicContact CG1-CG2 4.46Å; V600-L611 HydrophobicContact CG1-CD2 4Å; V600-L611 HydrophobicContact CG2-CD2 4.14Å; V600-L615 HydrophobicContact CG2-CD1 4.04Å; V600-F665 HydrophobicContact CG2-CD2 4.36Å; V600-E666 PolarHBondContact N-O 3.49Å; V600-K667 HydrophobicContact CB-CB 3.89Å; V600-K667 HydrophobicContact CB-CG 3.92Å; V600-K667 HydrophobicContact CG1-CB 4.42Å; V600-K667 HydrophobicContact CG1-CG 3.9Å; V600-K667 WeakPolarHBondContact O-CA 3.37Å; V600-S668 PolarHBondContact O-N 3.33Å; V600-I691 WeakPolarHBondContact CA-O 3.36Å; V600-I691 HydrophobicContact CG2-CB 4.31Å
601V98.4Very high94.7Very high1 Ų123.4 Ų23.41%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-89.9-12.3-163.9-61.10000114.3L599 S668 A669 Y671 F672 I690 I691 W755L599-V601 HydrophobicContact CB-CG1 3.81Å; V601-S668 CarbonylContact C-O 3.31Å; V601-A669 CarbonylContact O-C 3.59Å; V601-A669 VanDerWaalsContact O-C 3.31Å; V601-A669 WeakPolarHBondContact O-CA 3.34Å; V601-Y671 HydrophobicContact CG1-CD2 4.33Å; V601-Y671 PolarHBondContact O-N 3.36Å; V601-F672 HydrophobicContact CG2-CB 4.43Å; V601-F672 HydrophobicContact CG2-CD2 4.18Å; V601-F672 VanDerWaalsContact O-CB 3.26Å; V601-F672 WeakPolarHBondContact O-CB 3.47Å; V601-F672 PolarHBondContact O-N 2.91Å; V601-I690 HydrophobicContact CB-CG2 4.44Å; V601-I690 HydrophobicContact CG1-CG2 3.77Å; V601-I690 HydrophobicContact CG2-CG2 3.78Å; V601-I691 PolarHBondContact N-O 3.38Å; V601-W755 HydrophobicContact CB-CH2 4.22Å; V601-W755 HydrophobicContact CB-CZ2 3.86Å; V601-W755 HydrophobicContact CG1-CH2 3.43Å; V601-W755 VanDerWaalsContact CG1-CH2 3.43Å; V601-W755 HydrophobicContact CG1-CZ2 3.61Å; V601-W755 HydrophobicContact CG1-CZ3 3.97Å; V601-W755 HydrophobicContact CG2-CZ2 4.35Å
602G97.1Very high95.2Very high0 Ų022.8 Ų22.80%012%0.121CC..EExtended strand (participates in β ladder)trans120.9-144.717900000113.8T692 I693G602-T692 WeakPolarHBondContact O-CA 3.3Å; G602-T692 PolarHBondContact O-OG1 3.13Å; G602-I693 PolarHBondContact O-N 3.36Å
603P97.3Very high95.7Very high0 Ų024.4 Ų24.40%013%0.127CC..  cis-68.3177.1-8.614.4-4.8000112.8T606 T608 F672 I693 Y748P603-T606 HydrophobicContact CB-CG2 4.42Å; P603-T606 HydrophobicContact CG-CG2 3.79Å; P603-T606 PolarHBondContact O-OG1 3.49Å; P603-T608 WeakPolarHBondContact O-CG2 3.35Å; P603-F672 HydrophobicContact CB-CB 4.26Å; P603-F672 HydrophobicContact CB-CD1 3.62Å; P603-F672 HydrophobicContact CB-CE1 4.22Å; P603-F672 HydrophobicContact CB-CG 4.08Å; P603-F672 HydrophobicContact CG-CD1 3.69Å; P603-F672 HydrophobicContact CG-CE1 3.82Å; P603-F672 HydrophobicContact CG-CG 4.16Å; P603-F672 HydrophobicContact CG-CZ 4.41Å; P603-I693 WeakPolarHBondContact CD-O 3.13Å; P603-Y748 HydrophobicContact CG-CD1 4.29Å; P603-Y748 HydrophobicContact CG-CE1 3.7Å
604Q95.9Very high96.1Very high41 Ų4119.7 Ų19.719%0.19210%0.102CC..THydrogen-bonded Turntrans-63148.6173-64.9176.1-59.700111.2T606 A669 W704Q604-T606 VanDerWaalsContact C-N 3.32Å; Q604-T606 PolarHBondContact O-N 2.88Å; Q604-A669 HydrophobicContact CB-CB 4.4Å; Q604-A669 HydrophobicContact CG-CB 3.68Å; Q604-A669 PolarHBondContact N-O 3.12Å; Q604-W704 HydrophobicContact CB-CE3 4.32Å; Q604-W704 HydrophobicContact CB-CZ3 4.16Å; Q604-W704 VanDerWaalsContact CD-CZ3 3.47Å; Q604-W704 HydrophobicContact CG-CZ3 4.38Å
605K95.6Very high96.5Very high48 Ų4817.6 Ų17.621%0.2099%0.094CC..THydrogen-bonded Turntrans71.116.8173.4-45.7-54.8-58.1-173.20115.9I695 R700 S703 W704 H707K605-I695 WeakPolarHBondContact O-CD1 3.19Å; K605-R700 HydrophobicContact CB-CG 4.46Å; K605-S703 WeakPolarHBondContact CE-O 3.37Å; K605-S703 WeakPolarHBondContact CE-OG 3.21Å; K605-W704 HydrophobicContact CD-CE3 3.96Å; K605-W704 HydrophobicContact CG-CB 4.06Å; K605-W704 HydrophobicContact CG-CE3 3.8Å; K605-H707 HydrophobicContact CD-CB 4.19Å; K605-H707 PolarHBondContact NZ-CD2 2.92Å; K605-H707 VanDerWaalsContact NZ-CD2 3.34Å
606T96.7Very high96.6Very high6 Ų620.6 Ų20.64%0.03711%0.109CC..SBendtrans-102.9-1-179.959.70000114.8P603 Q604 I693 I695 R700P603-T606 HydrophobicContact CB-CG2 4.42Å; P603-T606 HydrophobicContact CG-CG2 3.79Å; P603-T606 PolarHBondContact O-OG1 3.49Å; Q604-T606 VanDerWaalsContact C-N 3.32Å; Q604-T606 PolarHBondContact O-N 2.88Å; T606-I693 WeakPolarHBondContact CB-O 3.35Å; T606-I693 VanDerWaalsContact CG2-O 3.29Å; T606-I693 WeakPolarHBondContact CG2-O 3.22Å; T606-I693 WeakPolarHBondContact O-CG2 3.46Å; T606-I693 PolarHBondContact OG1-O 3.15Å; T606-I695 HydrophobicContact CG2-CD1 4.45Å; T606-I695 HydrophobicContact CG2-CG1 4.01Å; T606-R700 HydrophobicContact CG2-CG 3.97Å
607G95.6Very high96.5Very high29 Ų2921.5 Ų21.530%0.29911%0.113SC..SBendtrans110.38.4-177.900000114.6T609 A610 L611G607-T609 PolarHBondContact O-N 3.3Å; G607-T609 VanDerWaalsContact O-N 3.08Å; G607-A610 WeakPolarHBondContact O-CA 3.15Å; G607-A610 VanDerWaalsContact O-CB 3.27Å; G607-A610 WeakPolarHBondContact O-CB 3.35Å; G607-A610 PolarHBondContact O-N 3.32Å; G607-L611 PolarHBondContact O-N 3.16Å; G607-L611 VanDerWaalsContact O-N 3.07Å
608T96.4Very high96.4Very high8 Ų817 Ų175%0.0499%0.094CC..Hα-helixtrans-52.2-34.3-178580000115.4V600 P603 Y612 K667 A669 I693V600-T608 HydrophobicContact CG1-CG2 4.46Å; P603-T608 WeakPolarHBondContact O-CG2 3.35Å; T608-Y612 WeakPolarHBondContact O-CB 3.23Å; T608-Y612 PolarHBondContact O-N 2.92Å; T608-K667 WeakPolarHBondContact OG1-CE 3.3Å; T608-A669 HydrophobicContact CG2-CB 4.1Å; T608-I693 HydrophobicContact CG2-CD1 4Å
609T95.3Very high96.1Very high17 Ų1721.6 Ų21.610%0.10412%0.124CC..Hα-helixtrans-76.9-27.8177-51.80000111.7G607 L613 E632 K667 L820 K824G607-T609 PolarHBondContact O-N 3.3Å; G607-T609 VanDerWaalsContact O-N 3.08Å; T609-L613 PolarHBondContact O-N 3.1Å; T609-L613 VanDerWaalsContact O-N 3.1Å; T609-E632 WeakPolarHBondContact CG2-OE1 3.5Å; T609-E632 PolarHBondContact OG1-OE1 3.09Å; T609-K667 PolarHBondContact OG1-NZ 3.3Å; T609-L820 HydrophobicContact CG2-CD2 3.83Å; T609-K824 HydrophobicContact CG2-CD 4.37Å; T609-K824 PolarHBondContact OG1-NZ 3.49Å
610A95.4Very high95.7Very high18 Ų1822.4 Ų22.415%0.14913%0.129CC..Hα-helixtrans-67.3-49.9171.700000110G607 Y612 L613 F614 L820G607-A610 WeakPolarHBondContact O-CA 3.15Å; G607-A610 VanDerWaalsContact O-CB 3.27Å; G607-A610 WeakPolarHBondContact O-CB 3.35Å; G607-A610 PolarHBondContact O-N 3.32Å; A610-Y612 VanDerWaalsContact C-N 3.31Å; A610-Y612 PolarHBondContact O-N 2.84Å; A610-L613 PolarHBondContact O-N 3.24Å; A610-L613 VanDerWaalsContact O-N 3.07Å; A610-F614 HydrophobicContact CB-CE2 4.23Å; A610-F614 HydrophobicContact CB-CZ 4.46Å; A610-F614 WeakPolarHBondContact O-CD2 3.14Å; A610-F614 VanDerWaalsContact O-CG 3.31Å; A610-F614 WeakPolarHBondContact O-CG 3.45Å; A610-F614 PolarHBondContact O-N 3.14Å; A610-L820 HydrophobicContact CB-CD1 3.71Å
611L97.6Very high95.5Very high0 Ų022.6 Ų22.60%013%0.13CC..Hα-helixtrans-55.9-45.9175-179.164.2000111.8V600 G607 L613 F614 L615 I691 I693 I767 L772 M780 V783V600-L611 HydrophobicContact CG1-CD2 4Å; V600-L611 HydrophobicContact CG2-CD2 4.14Å; G607-L611 PolarHBondContact O-N 3.16Å; G607-L611 VanDerWaalsContact O-N 3.07Å; L611-L613 VanDerWaalsContact C-N 3.34Å; L611-L613 PolarHBondContact O-N 3.16Å; L611-F614 PolarHBondContact O-N 3.38Å; L611-L615 HydrophobicContact CD1-CD1 4.35Å; L611-L615 HydrophobicContact CD1-CG 4.3Å; L611-L615 HydrophobicContact CD2-CD1 4.49Å; L611-L615 HydrophobicContact CG-CD1 3.92Å; L611-L615 HydrophobicContact CG-CG 4.34Å; L611-L615 WeakPolarHBondContact O-CB 3.4Å; L611-L615 VanDerWaalsContact O-CG 3.32Å; L611-L615 WeakPolarHBondContact O-CG 3.47Å; L611-L615 PolarHBondContact O-N 3.44Å; L611-I691 HydrophobicContact CD2-CG2 3.9Å; L611-I693 HydrophobicContact CB-CD1 3.9Å; L611-I693 HydrophobicContact CD2-CD1 3.67Å; L611-I693 HydrophobicContact CD2-CG1 4.08Å; L611-I693 HydrophobicContact CG-CD1 4.42Å; L611-I767 HydrophobicContact CD1-CD1 4.25Å; L611-I767 HydrophobicContact CD2-CD1 3.8Å; L611-L772 HydrophobicContact CB-CD2 4.19Å; L611-M780 HydrophobicContact CD1-CE 4.44Å; L611-M780 HydrophobicContact CD1-SD 3.55Å; L611-M780 VanDerWaalsContact CD1-SD 3.55Å; L611-V783 HydrophobicContact CD1-CG2 4.34Å
612Y96.8Very high95.3Very high29 Ų2925 Ų2511%0.11414%0.142CC..Hα-helixtrans-53.9-47.9174.4172.7-83.9000112.4T608 A610 F614 L615 I616 S623 E632 F665 K667T608-Y612 WeakPolarHBondContact O-CB 3.23Å; T608-Y612 PolarHBondContact O-N 2.92Å; A610-Y612 VanDerWaalsContact C-N 3.31Å; A610-Y612 PolarHBondContact O-N 2.84Å; Y612-F614 VanDerWaalsContact C-N 3.34Å; Y612-F614 PolarHBondContact O-N 3.13Å; Y612-L615 PolarHBondContact O-N 3.15Å; Y612-I616 HydrophobicContact CE1-CD1 3.97Å; Y612-I616 HydrophobicContact CE1-CG2 4.39Å; Y612-I616 PolarHBondContact O-N 3.19Å; Y612-S623 WeakPolarHBondContact CE2-OG 3.4Å; Y612-S623 PolarHBondContact OH-OG 3.32Å; Y612-E632 HydrophobicContact CD2-CB 4.41Å; Y612-E632 HydrophobicContact CE1-CB 4.2Å; Y612-E632 HydrophobicContact CE2-CB 3.94Å; Y612-F665 AromaticContact CD2-CE2 3.82Å; Y612-F665 HydrophobicContact CD2-CE2 3.82Å; Y612-F665 AromaticContact CD2-CZ 3.93Å; Y612-F665 HydrophobicContact CD2-CZ 3.93Å; Y612-F665 HydrophobicContact CE2-CE2 4.37Å; Y612-F665 HydrophobicContact CE2-CZ 4.25Å; Y612-K667 HydrophobicContact CD2-CB 3.98Å
613L95.3Very high95.2Very high54 Ų5425.7 Ų25.728%0.28315%0.147SC..Hα-helixtrans-65.8-37.6-179.9-77.4-165.8000112.4T609 A610 L611 I616 M617 L820T609-L613 PolarHBondContact O-N 3.1Å; T609-L613 VanDerWaalsContact O-N 3.1Å; A610-L613 PolarHBondContact O-N 3.24Å; A610-L613 VanDerWaalsContact O-N 3.07Å; L611-L613 VanDerWaalsContact C-N 3.34Å; L611-L613 PolarHBondContact O-N 3.16Å; L613-I616 HydrophobicContact CD2-CD1 3.95Å; L613-I616 WeakPolarHBondContact O-CG1 3.38Å; L613-M617 WeakPolarHBondContact O-CG 3.34Å; L613-L820 HydrophobicContact CD1-CD2 3.2Å; L613-L820 HydrophobicContact CD1-CG 3.76Å; L613-L820 HydrophobicContact CG-CD2 3.85Å
614F97Very high95Very high9 Ų925.9 Ų25.94%0.03915%0.148CC..Hα-helixtrans-69.3-42.8177.3-56.9-26.6000110.9A610 L611 Y612 I616 M617 L772 P776 M780 Y795 L799 W808A610-F614 HydrophobicContact CB-CE2 4.23Å; A610-F614 HydrophobicContact CB-CZ 4.46Å; A610-F614 WeakPolarHBondContact O-CD2 3.14Å; A610-F614 VanDerWaalsContact O-CG 3.31Å; A610-F614 WeakPolarHBondContact O-CG 3.45Å; A610-F614 PolarHBondContact O-N 3.14Å; L611-F614 PolarHBondContact O-N 3.38Å; Y612-F614 VanDerWaalsContact C-N 3.34Å; Y612-F614 PolarHBondContact O-N 3.13Å; F614-I616 VanDerWaalsContact C-N 3.34Å; F614-I616 PolarHBondContact O-N 3.01Å; F614-M617 HydrophobicContact CD1-SD 4.1Å; F614-M617 VanDerWaalsContact O-CB 3.29Å; F614-M617 WeakPolarHBondContact O-CB 3.47Å; F614-M617 PolarHBondContact O-N 3.39Å; F614-L772 HydrophobicContact CD2-CD1 4.15Å; F614-L772 HydrophobicContact CE2-CD1 4.17Å; F614-P776 HydrophobicContact CD2-CB 4.1Å; F614-P776 HydrophobicContact CE2-CB 3.6Å; F614-P776 HydrophobicContact CE2-CG 4.36Å; F614-P776 HydrophobicContact CZ-CB 4.3Å; F614-M780 HydrophobicContact CB-CE 3.88Å; F614-M780 HydrophobicContact CB-CG 4.06Å; F614-M780 HydrophobicContact CB-SD 3.69Å; F614-M780 HydrophobicContact CD2-CG 4.43Å; F614-M780 HydrophobicContact CD2-SD 4.36Å; F614-Y795 HydrophobicContact CB-CE1 4.13Å; F614-Y795 VanDerWaalsContact O-CE1 3.27Å; F614-Y795 WeakPolarHBondContact O-CE1 3.34Å; F614-Y795 PolarHBondContact O-OH 2.81Å; F614-Y795 VanDerWaalsContact O-OH 3.08Å; F614-L799 HydrophobicContact CD1-CD1 4.25Å; F614-L799 HydrophobicContact CD1-CD2 3.6Å; F614-L799 HydrophobicContact CD2-CD1 4.41Å; F614-L799 HydrophobicContact CE1-CD1 4.27Å; F614-L799 HydrophobicContact CE1-CD2 3.53Å; F614-L799 HydrophobicContact CE2-CD1 4.44Å; F614-L799 HydrophobicContact CG-CD1 4.32Å; F614-L799 HydrophobicContact CG-CD2 4.42Å; F614-L799 HydrophobicContact CZ-CD1 4.37Å; F614-L799 HydrophobicContact CZ-CD2 4.29Å; F614-W808 HydrophobicContact CZ-CB 4.45Å
615L96.5Very high94.9Very high0 Ų026.8 Ų26.80%016%0.16CC..Hα-helixtrans-55.3-45.1176.8-78.7167.7000113F598 V600 L611 Y612 M617 H618 I621 F665 M780 V783 L787F598-L615 HydrophobicContact CE2-CD1 3.93Å; F598-L615 HydrophobicContact CE2-CD2 4.3Å; F598-L615 HydrophobicContact CZ-CD1 4.26Å; F598-L615 HydrophobicContact CZ-CD2 4.05Å; V600-L615 HydrophobicContact CG2-CD1 4.04Å; L611-L615 HydrophobicContact CD1-CD1 4.35Å; L611-L615 HydrophobicContact CD1-CG 4.3Å; L611-L615 HydrophobicContact CD2-CD1 4.49Å; L611-L615 HydrophobicContact CG-CD1 3.92Å; L611-L615 HydrophobicContact CG-CG 4.34Å; L611-L615 WeakPolarHBondContact O-CB 3.4Å; L611-L615 VanDerWaalsContact O-CG 3.32Å; L611-L615 WeakPolarHBondContact O-CG 3.47Å; L611-L615 PolarHBondContact O-N 3.44Å; Y612-L615 PolarHBondContact O-N 3.15Å; L615-M617 PolarHBondContact O-N 3.31Å; L615-H618 WeakPolarHBondContact O-CB 3.3Å; L615-H618 PolarHBondContact O-N 2.7Å; L615-H618 VanDerWaalsContact O-N 3.13Å; L615-I621 HydrophobicContact CB-CG2 4.25Å; L615-I621 HydrophobicContact CD2-CD1 3.88Å; L615-I621 HydrophobicContact CD2-CG2 4.44Å; L615-F665 HydrophobicContact CB-CE1 4.07Å; L615-F665 HydrophobicContact CB-CE2 4.27Å; L615-F665 HydrophobicContact CB-CZ 3.69Å; L615-F665 HydrophobicContact CD1-CD2 4.1Å; L615-F665 HydrophobicContact CD1-CE2 3.64Å; L615-F665 HydrophobicContact CD1-CZ 3.94Å; L615-F665 HydrophobicContact CG-CZ 4.47Å; L615-M780 HydrophobicContact CD2-CE 3.94Å; L615-M780 HydrophobicContact CG-CE 4.07Å; L615-V783 HydrophobicContact CD2-CG1 3.78Å; L615-L787 HydrophobicContact CD2-CD1 4.31Å
616I94.6Very high94.8Very high74 Ų7429.4 Ų29.438%0.37918%0.181SC..THydrogen-bonded Turntrans-73.6-3.2-179.565.9171.6000114Y612 L613 F614 H618 F665Y612-I616 HydrophobicContact CE1-CD1 3.97Å; Y612-I616 HydrophobicContact CE1-CG2 4.39Å; Y612-I616 PolarHBondContact O-N 3.19Å; L613-I616 HydrophobicContact CD2-CD1 3.95Å; L613-I616 WeakPolarHBondContact O-CG1 3.38Å; F614-I616 VanDerWaalsContact C-N 3.34Å; F614-I616 PolarHBondContact O-N 3.01Å; I616-H618 VanDerWaalsContact C-N 3.29Å; I616-F665 HydrophobicContact CG2-CE1 3.88Å; I616-F665 HydrophobicContact CG2-CZ 3.83Å
617M94.5Very high94.6Very high21 Ų2129.8 Ų29.810%0.10318%0.184CC..THydrogen-bonded Turntrans-75.5-23.8169-66.1166.85600111.4L613 F614 L615 Y793 Y795 A798 L799 Q810L613-M617 WeakPolarHBondContact O-CG 3.34Å; F614-M617 HydrophobicContact CD1-SD 4.1Å; F614-M617 VanDerWaalsContact O-CB 3.29Å; F614-M617 WeakPolarHBondContact O-CB 3.47Å; F614-M617 PolarHBondContact O-N 3.39Å; L615-M617 PolarHBondContact O-N 3.31Å; M617-Y793 HydrophobicContact CB-CE1 3.98Å; M617-Y793 HydrophobicContact CE-CE1 4Å; M617-Y795 HydrophobicContact CB-CE1 4.31Å; M617-A798 HydrophobicContact CE-CB 3.5Å; M617-L799 HydrophobicContact CE-CD2 3.77Å; M617-L799 HydrophobicContact CE-CG 4.38Å; M617-L799 HydrophobicContact SD-CD2 3.85Å; M617-Q810 HydrophobicContact CE-CB 4.2Å; M617-Q810 HydrophobicContact CE-CG 3.84Å; M617-Q810 HydrophobicContact SD-CB 3.98Å; M617-Q810 HydrophobicContact SD-CG 4.04Å
618H94Very high94.3Very high2 Ų234.5 Ų34.51%0.00921%0.209CC..SBendtrans-76126.9178.8-168.8-61.6000110.7L615 I616 S620 I621 Q784 V789 P791 Y793L615-H618 WeakPolarHBondContact O-CB 3.3Å; L615-H618 PolarHBondContact O-N 2.7Å; L615-H618 VanDerWaalsContact O-N 3.13Å; I616-H618 VanDerWaalsContact C-N 3.29Å; H618-S620 VanDerWaalsContact C-N 3.3Å; H618-S620 PolarHBondContact ND1-N 2.75Å; H618-S620 VanDerWaalsContact ND1-N 3.12Å; H618-S620 PolarHBondContact O-N 3.49Å; H618-I621 HydrophobicContact CB-CB 4.07Å; H618-I621 HydrophobicContact CB-CD1 3.86Å; H618-I621 HydrophobicContact CB-CG1 3.92Å; H618-I621 PolarHBondContact O-N 2.94Å; H618-Q784 PolarHBondContact CD2-OE1 3.46Å; H618-Q784 VanDerWaalsContact CD2-OE1 3.23Å; H618-Q784 PolarHBondContact NE2-OE1 3.34Å; H618-V789 VanDerWaalsContact CE1-CG2 3.46Å; H618-V789 WeakPolarHBondContact CE1-CG2 3.23Å; H618-P791 PolarHBondContact CE1-O 3.01Å; H618-P791 PolarHBondContact NE2-O 2.97Å; H618-Y793 VanDerWaalsContact CD2-CB 3.42Å; H618-Y793 WeakPolarHBondContact CD2-CB 3.47Å
619P91.1Very high93.9Very high96 Ų9642.4 Ų42.462%0.62324%0.243SC*.THydrogen-bonded Turntrans-61.2-34.2-173.322.5-33.7000114
620S90.6Very high93.7Very high16 Ų1642.7 Ų42.711%0.11225%0.245CC..THydrogen-bonded Turntrans-85.1-3.6178.2-42.70000115.4H618 F663H618-S620 VanDerWaalsContact C-N 3.3Å; H618-S620 PolarHBondContact ND1-N 2.75Å; H618-S620 VanDerWaalsContact ND1-N 3.12Å; H618-S620 PolarHBondContact O-N 3.49Å; S620-F663 PolarHBondContact O-N 2.83Å
621I93.8Very high93.5Very high6 Ų648.8 Ų48.83%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-108.2119.9-178.3-59.7-179.8000108.8F598 L615 H618 F663 F665 L787 V789F598-I621 HydrophobicContact CE1-CG2 4.23Å; F598-I621 HydrophobicContact CZ-CG2 3.95Å; L615-I621 HydrophobicContact CB-CG2 4.25Å; L615-I621 HydrophobicContact CD2-CD1 3.88Å; L615-I621 HydrophobicContact CD2-CG2 4.44Å; H618-I621 HydrophobicContact CB-CB 4.07Å; H618-I621 HydrophobicContact CB-CD1 3.86Å; H618-I621 HydrophobicContact CB-CG1 3.92Å; H618-I621 PolarHBondContact O-N 2.94Å; I621-F663 HydrophobicContact CG1-CB 4.25Å; I621-F665 HydrophobicContact CG2-CD1 3.43Å; I621-F665 VanDerWaalsContact CG2-CD1 3.43Å; I621-F665 HydrophobicContact CG2-CE1 3.48Å; I621-F665 VanDerWaalsContact CG2-CE1 3.48Å; I621-F665 HydrophobicContact CG2-CG 4.47Å; I621-L787 HydrophobicContact CD1-CD1 4.06Å; I621-V789 HydrophobicContact CG1-CG2 4.27Å
622I93.8Very high93.2Very high50 Ų5050.4 Ų50.426%0.25628%0.276SS..EExtended strand (participates in β ladder)trans-122.5128.6-173.5-57.7174.1000109P654 D662 F663 L664 F665I622-P654 HydrophobicContact CG2-CG 3.75Å; I622-D662 HydrophobicContact CD1-CB 4.02Å; I622-D662 VanDerWaalsContact CD1-CG 3.47Å; I622-F663 PolarHBondContact N-O 3.37Å; I622-L664 HydrophobicContact CB-CD2 3.95Å; I622-L664 HydrophobicContact CG2-CD2 4.07Å; I622-L664 CarbonylContact O-C 3.58Å; I622-L664 VanDerWaalsContact O-CA 3.28Å; I622-L664 WeakPolarHBondContact O-CA 3.41Å; I622-F665 WeakPolarHBondContact O-CD1 3.21Å; I622-F665 PolarHBondContact O-N 3.35Å
623S94.6Very high93.1Very high15 Ų1549.9 Ų49.911%0.10528%0.275CS..EExtended strand (participates in β ladder)trans-86.1163.1177.4177.30000112Y612 F665Y612-S623 WeakPolarHBondContact CE2-OG 3.4Å; Y612-S623 PolarHBondContact OH-OG 3.32Å; S623-F665 WeakPolarHBondContact CA-O 3.16Å
624N94.6Very high93Very high4 Ų447.3 Ų47.32%0.02126%0.261CS..PPolyproline II helixtrans-52.8151.9159.863.8-88.2000113.2E632 V634 F652 F653 F665 E666N624-E632 PolarHBondContact ND2-O 3.48Å; N624-E632 PolarHBondContact OD1-O 2.91Å; N624-V634 HydrophobicContact CB-CG2 3.73Å; N624-V634 VanDerWaalsContact CG-CG2 3.44Å; N624-F652 CarbonylContact C-O 3.42Å; N624-F652 WeakPolarHBondContact CA-O 3.36Å; N624-F652 HydrophobicContact CB-CB 4.09Å; N624-F653 HydrophobicContact CB-CD1 4.24Å; N624-F653 HydrophobicContact CB-CE1 3.85Å; N624-F653 HydrophobicContact CB-CZ 4.17Å; N624-F665 PolarHBondContact N-O 3.05Å; N624-E666 WeakPolarHBondContact OD1-CA 3.37Å; N624-E666 WeakPolarHBondContact OD1-CB 3.43Å
625S94.1Very high93Very high61 Ų6148.8 Ų48.843%0.42727%0.268SS..PPolyproline II helixtrans-62.2146.5165.9-63.80000110.6F652S625-F652 WeakPolarHBondContact CB-O 3.43Å; S625-F652 PolarHBondContact N-O 3.47Å; S625-F652 WeakPolarHBondContact O-CD1 3.21Å; S625-F652 PolarHBondContact OG-O 3Å
626P92.9Very high93Very high103 Ų10348.8 Ų48.867%0.66927%0.268SS*.PPolyproline II helixtrans-71.1139.6-177.927.8-33.9000111.9F631P626-F631 CarbonylContact C-O 3.58Å; P626-F631 WeakPolarHBondContact CA-O 3.12Å
627S91.4Very high93.1Very high14 Ų1445.2 Ų45.210%0.09825%0.25CC..BIsolated β-bridgetrans-83.9136.3170.5169.30000110.7K629 T630 F631S627-K629 PolarHBondContact O-N 3.26Å; S627-K629 VanDerWaalsContact O-N 3.16Å; S627-K629 PolarHBondContact OG-N 2.92Å; S627-T630 WeakPolarHBondContact CB-OG1 3.31Å; S627-T630 PolarHBondContact OG-N 3.21Å; S627-T630 VanDerWaalsContact OG-N 3.12Å; S627-T630 PolarHBondContact OG-OG1 3Å; S627-F631 PolarHBondContact N-O 2.83Å; S627-F631 WeakPolarHBondContact O-CA 3.36Å; S627-F631 PolarHBondContact O-N 2.84Å
628P89.4Confident92.6Very high127 Ų12745.3 Ų45.383%0.82525%0.251SS*.THydrogen-bonded Turntrans-65.1-19.2174.426.2-33.7000113.1
629K88.9Confident91.6Very high174 Ų17453.1 Ų53.176%0.75728%0.28SS*.THydrogen-bonded Turntrans-101.2-34.1-178.4-63.8-172-180-173.30113.4S627S627-K629 PolarHBondContact O-N 3.26Å; S627-K629 VanDerWaalsContact O-N 3.16Å; S627-K629 PolarHBondContact OG-N 2.92Å
630T89.9Confident91.1Very high24 Ų2455 Ų5515%0.14729%0.285CS..THydrogen-bonded Turntrans-121.78.3-17047.50000112.8S627 E632 E633 Q635S627-T630 WeakPolarHBondContact CB-OG1 3.31Å; S627-T630 PolarHBondContact OG-N 3.21Å; S627-T630 VanDerWaalsContact OG-N 3.12Å; S627-T630 PolarHBondContact OG-OG1 3Å; T630-E632 PolarHBondContact O-N 2.99Å; T630-E633 WeakPolarHBondContact CB-O 3.44Å; T630-E633 PolarHBondContact O-N 3.09Å; T630-E633 PolarHBondContact OG1-O 2.79Å; T630-Q635 HydrophobicContact CG2-CG 4.2Å
631F91Very high91.2Very high145 Ų14555.9 Ų55.964%0.63629%0.288SS*.BIsolated β-bridgetrans55.5-119.8176.5-52.4-82.3000111.5P626 S627 E633P626-F631 CarbonylContact C-O 3.58Å; P626-F631 WeakPolarHBondContact CA-O 3.12Å; S627-F631 PolarHBondContact N-O 2.83Å; S627-F631 WeakPolarHBondContact O-CA 3.36Å; S627-F631 PolarHBondContact O-N 2.84Å; F631-E633 PolarHBondContact O-N 3.47Å
632E91.3Very high91.3Very high35 Ų3555.6 Ų55.616%0.16429%0.287CS..THydrogen-bonded Turntrans-68.7-15.6179.273.6-92.4-157.500113.9T609 Y612 N624 T630 K667 K824T609-E632 WeakPolarHBondContact CG2-OE1 3.5Å; T609-E632 PolarHBondContact OG1-OE1 3.09Å; Y612-E632 HydrophobicContact CD2-CB 4.41Å; Y612-E632 HydrophobicContact CE1-CB 4.2Å; Y612-E632 HydrophobicContact CE2-CB 3.94Å; N624-E632 PolarHBondContact ND2-O 3.48Å; N624-E632 PolarHBondContact OD1-O 2.91Å; T630-E632 PolarHBondContact O-N 2.99Å; E632-K667 HydrophobicContact CG-CD 4.24Å; E632-K667 IonicContact OE1-NZ 3.87Å; E632-K667 PolarHBondContact OE1-NZ 2.85Å; E632-K824 IonicContact OE1-NZ 3.84Å
633E94.7Very high91.2Very high18 Ų1856.2 Ų56.28%0.08429%0.289CS..  trans-95.5138.2-174.7-49.4-166.716400112.9T630 F631 Q635 K667 A669T630-E633 WeakPolarHBondContact CB-O 3.44Å; T630-E633 PolarHBondContact O-N 3.09Å; T630-E633 PolarHBondContact OG1-O 2.79Å; F631-E633 PolarHBondContact O-N 3.47Å; E633-Q635 HydrophobicContact CB-CG 3.76Å; E633-Q635 PolarHBondContact OE2-NE2 2.98Å; E633-K667 VanDerWaalsContact CA-O 3.25Å; E633-K667 WeakPolarHBondContact CA-O 3.46Å; E633-K667 WeakPolarHBondContact CB-O 3.44Å; E633-K667 HydrophobicContact CG-CD 3.92Å; E633-K667 WeakPolarHBondContact CG-O 3.22Å; E633-K667 WeakPolarHBondContact OE1-CE 3.41Å; E633-K667 IonicContact OE1-NZ 3.44Å; E633-K667 PolarHBondContact OE1-NZ 2.82Å; E633-A669 PolarHBondContact OE1-N 3.41Å
634V95Very high91.1Very high0 Ų061.5 Ų61.50%031%0.306CS..  trans-85.8-39.2174.9-170.90000111.3N624 F636 N641 W648 Y649 F652 E666 S668N624-V634 HydrophobicContact CB-CG2 3.73Å; N624-V634 VanDerWaalsContact CG-CG2 3.44Å; V634-F636 VanDerWaalsContact C-N 3.31Å; V634-F636 HydrophobicContact CG1-CB 4.21Å; V634-F636 PolarHBondContact O-N 3.15Å; V634-N641 PolarHBondContact O-ND2 3.39Å; V634-W648 HydrophobicContact CG1-CH2 4.07Å; V634-W648 HydrophobicContact CG1-CZ3 3.89Å; V634-Y649 HydrophobicContact CB-CE2 4.36Å; V634-Y649 HydrophobicContact CG1-CD2 3.79Å; V634-Y649 HydrophobicContact CG1-CE2 3.89Å; V634-F652 HydrophobicContact CG1-CB 4.49Å; V634-F652 HydrophobicContact CG1-CD1 4.14Å; V634-F652 HydrophobicContact CG1-CD2 3.76Å; V634-F652 HydrophobicContact CG1-CE1 4.36Å; V634-F652 HydrophobicContact CG1-CE2 4Å; V634-F652 HydrophobicContact CG1-CG 3.84Å; V634-F652 HydrophobicContact CG1-CZ 4.29Å; V634-F652 HydrophobicContact CG2-CB 4.28Å; V634-F652 HydrophobicContact CG2-CD1 4.01Å; V634-F652 HydrophobicContact CG2-CG 4.11Å; V634-E666 WeakPolarHBondContact CB-OE2 3.48Å; V634-E666 HydrophobicContact CG2-CB 4Å; V634-S668 PolarHBondContact N-OG 2.83Å
635Q95.5Very high91.1Very high39 Ų3961.4 Ų61.418%0.18231%0.306CS..  trans54.143.6-180-51-173.5-1.600113.3T630 E633 N641 S668 N670T630-Q635 HydrophobicContact CG2-CG 4.2Å; E633-Q635 HydrophobicContact CB-CG 3.76Å; E633-Q635 PolarHBondContact OE2-NE2 2.98Å; Q635-N641 WeakPolarHBondContact O-CB 3.47Å; Q635-N641 PolarHBondContact O-ND2 3.06Å; Q635-S668 PolarHBondContact N-OG 3.07Å; Q635-N670 VanDerWaalsContact CG-ND2 3.33Å; Q635-N670 WeakPolarHBondContact CG-ND2 3.46Å; Q635-N670 PolarHBondContact NE2-ND2 2.85Å; Q635-N670 PolarHBondContact OE1-ND2 3.27Å
636F96.8Very high91.1Very high0 Ų059 Ų590%029%0.289CS..  trans-73.5-53.1179.6-178.6-117.6000112.6W573 V634 N638 Y642 G645 W648 Y649 Y671 L684W573-F636 AromaticContact CD1-CZ 3.8Å; V634-F636 VanDerWaalsContact C-N 3.31Å; V634-F636 HydrophobicContact CG1-CB 4.21Å; V634-F636 PolarHBondContact O-N 3.15Å; F636-N638 PolarHBondContact O-N 2.75Å; F636-Y642 AromaticContact CD1-CD2 3.95Å; F636-Y642 HydrophobicContact CD1-CD2 3.95Å; F636-Y642 HydrophobicContact CD1-CE2 4.3Å; F636-Y642 HydrophobicContact CD2-CD2 4.45Å; F636-Y642 AromaticContact CE1-CD2 3.56Å; F636-Y642 HydrophobicContact CE1-CD2 3.56Å; F636-Y642 AromaticContact CE1-CE2 3.64Å; F636-Y642 HydrophobicContact CE1-CE2 3.64Å; F636-Y642 HydrophobicContact CE2-CD2 4.12Å; F636-Y642 HydrophobicContact CG-CD2 4.38Å; F636-Y642 AromaticContact CZ-CD2 3.66Å; F636-Y642 HydrophobicContact CZ-CD2 3.66Å; F636-Y642 AromaticContact CZ-CE2 3.94Å; F636-Y642 HydrophobicContact CZ-CE2 3.94Å; F636-Y642 WeakPolarHBondContact O-CA 3.42Å; F636-Y642 VanDerWaalsContact O-CB 3.31Å; F636-Y642 WeakPolarHBondContact O-CB 3.23Å; F636-Y642 PolarHBondContact O-N 3.44Å; F636-G645 WeakPolarHBondContact CE2-O 3.49Å; F636-W648 HydrophobicContact CB-CZ3 4.3Å; F636-W648 AromaticContact CD2-CE3 3.75Å; F636-W648 HydrophobicContact CD2-CE3 3.75Å; F636-W648 AromaticContact CD2-CZ3 3.77Å; F636-W648 HydrophobicContact CD2-CZ3 3.77Å; F636-W648 HydrophobicContact CE2-CE3 4.22Å; F636-W648 HydrophobicContact CG-CZ3 4.48Å; F636-Y649 HydrophobicContact CB-CD2 3.42Å; F636-Y649 VanDerWaalsContact CB-CD2 3.42Å; F636-Y649 HydrophobicContact CB-CE2 3.57Å; F636-Y649 HydrophobicContact CB-CG 4.29Å; F636-Y649 HydrophobicContact CD1-CD1 4.07Å; F636-Y649 AromaticContact CD1-CD2 3.65Å; F636-Y649 HydrophobicContact CD1-CD2 3.65Å; F636-Y649 HydrophobicContact CD1-CE1 4.35Å; F636-Y649 AromaticContact CD1-CE2 3.96Å; F636-Y649 HydrophobicContact CD1-CE2 3.96Å; F636-Y649 AromaticContact CD1-CG 3.68Å; F636-Y649 HydrophobicContact CD1-CG 3.68Å; F636-Y649 HydrophobicContact CD2-CD2 4.03Å; F636-Y649 HydrophobicContact CD2-CG 4.19Å; F636-Y649 HydrophobicContact CE1-CD1 4.18Å; F636-Y649 HydrophobicContact CE1-CD2 4.39Å; F636-Y649 AromaticContact CE1-CG 3.97Å; F636-Y649 HydrophobicContact CE1-CG 3.97Å; F636-Y649 HydrophobicContact CE2-CG 4.43Å; F636-Y649 AromaticContact CG-CD2 3.43Å; F636-Y649 HydrophobicContact CG-CD2 3.43Å; F636-Y649 VanDerWaalsContact CG-CD2 3.43Å; F636-Y649 AromaticContact CG-CE2 3.94Å; F636-Y649 HydrophobicContact CG-CE2 3.94Å; F636-Y649 AromaticContact CG-CG 3.8Å; F636-Y649 HydrophobicContact CG-CG 3.8Å; F636-Y649 HydrophobicContact CZ-CG 4.33Å; F636-Y671 PolarHBondContact N-OH 2.97Å; F636-L684 HydrophobicContact CE1-CD2 3.76Å
637F96.9Very high91.1Very high0 Ų055.2 Ų55.20%026%0.263CS..THydrogen-bonded Turntrans-76.4-17.7-165.5-66.1-65.2000116.2L599 Y642 Y649 Y671 A677 R680 A681 L684 I685L599-F637 HydrophobicContact CD1-CD2 4.28Å; L599-F637 HydrophobicContact CD1-CE2 4.02Å; L599-F637 HydrophobicContact CD2-CE2 4.33Å; F637-Y642 HydrophobicContact CD1-CD2 4.14Å; F637-Y642 AromaticContact CD1-CE2 3.85Å; F637-Y642 HydrophobicContact CD1-CE2 3.85Å; F637-Y642 HydrophobicContact CE1-CE2 4.21Å; F637-Y649 HydrophobicContact CE2-CE1 4.41Å; F637-Y649 AromaticContact CE2-CZ 3.95Å; F637-Y649 WeakPolarHBondContact CE2-OH 3.25Å; F637-Y649 HydrophobicContact CZ-CE1 4.16Å; F637-Y671 HydrophobicContact CB-CD1 4.38Å; F637-Y671 HydrophobicContact CB-CE1 3.95Å; F637-Y671 HydrophobicContact CB-CE2 4.44Å; F637-Y671 HydrophobicContact CD2-CD2 4.35Å; F637-Y671 HydrophobicContact CD2-CE1 4.47Å; F637-Y671 AromaticContact CD2-CE2 3.6Å; F637-Y671 HydrophobicContact CD2-CE2 3.6Å; F637-Y671 AromaticContact CD2-CZ 3.67Å; F637-Y671 HydrophobicContact CE2-CE2 4.43Å; F637-Y671 HydrophobicContact CG-CE2 4.5Å; F637-Y671 PolarHBondContact N-OH 3.41Å; F637-A677 HydrophobicContact CB-CB 3.87Å; F637-R680 HydrophobicContact CB-CB 4.45Å; F637-R680 HydrophobicContact CD1-CB 3.77Å; F637-R680 WeakPolarHBondContact O-CD 3.46Å; F637-R680 PolarHBondContact O-NH1 3.36Å; F637-A681 HydrophobicContact CD1-CB 4.27Å; F637-A681 HydrophobicContact CD2-CB 4.11Å; F637-A681 HydrophobicContact CE1-CB 4.27Å; F637-A681 HydrophobicContact CE2-CB 4.13Å; F637-A681 HydrophobicContact CG-CB 4.19Å; F637-A681 HydrophobicContact CZ-CB 4.21Å; F637-L684 HydrophobicContact CE1-CB 4.15Å; F637-L684 HydrophobicContact CE1-CD2 4.03Å; F637-L684 HydrophobicContact CZ-CB 4.47Å; F637-L684 HydrophobicContact CZ-CD2 4.12Å; F637-I685 HydrophobicContact CE2-CD1 4.01Å; F637-I685 HydrophobicContact CZ-CD1 3.94Å; F637-I685 HydrophobicContact CZ-CG1 4.14Å
638N84.4Confident91.2Very high22 Ų2256.9 Ų56.912%0.11827%0.267CS..THydrogen-bonded Turntrans-108.3-5.5-166.973.5-29.1000116.5F636 N670 Y671 S674 A677F636-N638 PolarHBondContact O-N 2.75Å; N638-N670 VanDerWaalsContact ND2-CB 3.3Å; N638-N670 WeakPolarHBondContact ND2-CB 3.28Å; N638-N670 PolarHBondContact ND2-ND2 2.97Å; N638-N670 PolarHBondContact ND2-O 3.38Å; N638-N670 PolarHBondContact ND2-OD1 3.05Å; N638-N670 VanDerWaalsContact ND2-OD1 3.12Å; N638-Y671 HydrophobicContact CB-CD1 3.84Å; N638-Y671 HydrophobicContact CB-CE1 4.24Å; N638-S674 WeakPolarHBondContact CB-OG 3.26Å; N638-A677 HydrophobicContact CB-CB 4.22Å
639R73.9Confident91.5Very high166 Ų16650.9 Ų50.963%0.62623%0.228SC*.SBendtrans-151.3-155.9-174.3-69.7-166.6177.8-147.9-1.4112.4N641 Y642R639-N641 VanDerWaalsContact C-N 3.26Å; R639-N641 PolarHBondContact O-N 3.36Å; R639-Y642 WeakPolarHBondContact O-CB 3.35Å; R639-Y642 PolarHBondContact O-N 3.05Å
640N79.9Confident91.7Very high135 Ų13542.8 Ų42.872%0.72219%0.193SC*.G310 helixtrans-58.2-26.8-175.2-60.10.6000114.9Y642 H643N640-Y642 PolarHBondContact O-N 2.98Å; N640-H643 PolarHBondContact O-N 3.21Å
641N93.1Very high91.8Very high35 Ų3546.7 Ų46.719%0.18721%0.213CC..G310 helixtrans-63.8-27.3-178.6-73.8-19.5000112V634 Q635 R639 H643 R644 W648V634-N641 PolarHBondContact O-ND2 3.39Å; Q635-N641 WeakPolarHBondContact O-CB 3.47Å; Q635-N641 PolarHBondContact O-ND2 3.06Å; R639-N641 VanDerWaalsContact C-N 3.26Å; R639-N641 PolarHBondContact O-N 3.36Å; N641-H643 PolarHBondContact O-N 3.14Å; N641-R644 VanDerWaalsContact O-CB 3.24Å; N641-R644 WeakPolarHBondContact O-CB 3.31Å; N641-R644 WeakPolarHBondContact O-CG 3.5Å; N641-R644 PolarHBondContact O-N 3.27Å; N641-W648 HydrophobicContact CB-CE3 4.39Å; N641-W648 HydrophobicContact CB-CH2 3.68Å; N641-W648 HydrophobicContact CB-CZ2 4.41Å; N641-W648 HydrophobicContact CB-CZ3 3.69Å
642Y94.6Very high92Very high0 Ų040.9 Ų40.90%019%0.187CC..G310 helixtrans-55.5-37.7178.8-164.5-109.9000113.3P571 L572 W573 F636 F637 R639 N640 R644 G645 R680P571-Y642 VanDerWaalsContact O-CE1 3.26Å; P571-Y642 WeakPolarHBondContact O-CE1 3.47Å; L572-Y642 WeakPolarHBondContact CA-OH 3.32Å; W573-Y642 AromaticContact CD1-CE1 3.62Å; W573-Y642 AromaticContact CD1-CE2 3.47Å; W573-Y642 VanDerWaalsContact CD1-CE2 3.47Å; W573-Y642 AromaticContact CD1-CZ 3.25Å; W573-Y642 HydrophobicContact CG-CE1 4.32Å; W573-Y642 HydrophobicContact CG-CE2 4.38Å; W573-Y642 AromaticContact CG-CZ 3.9Å; W573-Y642 PolarHBondContact N-OH 2.94Å; W573-Y642 AromaticContact NE1-CD1 3.97Å; W573-Y642 AromaticContact NE1-CE1 3.76Å; W573-Y642 AromaticContact NE1-CZ 3.88Å; W573-Y642 PolarHBondContact NE1-O 3.33Å; F636-Y642 AromaticContact CD1-CD2 3.95Å; F636-Y642 HydrophobicContact CD1-CD2 3.95Å; F636-Y642 HydrophobicContact CD1-CE2 4.3Å; F636-Y642 HydrophobicContact CD2-CD2 4.45Å; F636-Y642 AromaticContact CE1-CD2 3.56Å; F636-Y642 HydrophobicContact CE1-CD2 3.56Å; F636-Y642 AromaticContact CE1-CE2 3.64Å; F636-Y642 HydrophobicContact CE1-CE2 3.64Å; F636-Y642 HydrophobicContact CE2-CD2 4.12Å; F636-Y642 HydrophobicContact CG-CD2 4.38Å; F636-Y642 AromaticContact CZ-CD2 3.66Å; F636-Y642 HydrophobicContact CZ-CD2 3.66Å; F636-Y642 AromaticContact CZ-CE2 3.94Å; F636-Y642 HydrophobicContact CZ-CE2 3.94Å; F636-Y642 WeakPolarHBondContact O-CA 3.42Å; F636-Y642 VanDerWaalsContact O-CB 3.31Å; F636-Y642 WeakPolarHBondContact O-CB 3.23Å; F636-Y642 PolarHBondContact O-N 3.44Å; F637-Y642 HydrophobicContact CD1-CD2 4.14Å; F637-Y642 AromaticContact CD1-CE2 3.85Å; F637-Y642 HydrophobicContact CD1-CE2 3.85Å; F637-Y642 HydrophobicContact CE1-CE2 4.21Å; R639-Y642 WeakPolarHBondContact O-CB 3.35Å; R639-Y642 PolarHBondContact O-N 3.05Å; N640-Y642 PolarHBondContact O-N 2.98Å; Y642-R644 PolarHBondContact O-N 3.2Å; Y642-G645 PolarHBondContact O-N 3.03Å; Y642-R680 HydrophobicContact CD1-CG 4.47Å; Y642-R680 HydrophobicContact CD2-CB 4.4Å; Y642-R680 HydrophobicContact CE1-CG 3.92Å; Y642-R680 HydrophobicContact CE2-CB 3.7Å; Y642-R680 HydrophobicContact CE2-CG 3.97Å
643H92.4Very high92.1Very high63 Ų6339.3 Ų39.329%0.29218%0.18SC..G310 helixtrans-71.7-11.6-178.7-59.6-78.3000113.6H466 D570 N640 N641 G645H466-H643 PolarHBondContact CE1-O 2.9Å; H466-H643 PolarHBondContact ND1-O 2.83Å; D570-H643 IonicContact OD1-CE1 3.53Å; D570-H643 PolarHBondContact OD1-CE1 3.25Å; D570-H643 IonicContact OD1-NE2 3.88Å; N640-H643 PolarHBondContact O-N 3.21Å; N641-H643 PolarHBondContact O-N 3.14Å; H643-G645 PolarHBondContact O-N 3.21Å
644R93Very high91.8Very high127 Ų12741 Ų4148%0.47919%0.192SC..G310 helixtrans-71.5-14.6175-61.7-177.2159.9-158.9-11.1112.7N641 Y642 W648N641-R644 VanDerWaalsContact O-CB 3.24Å; N641-R644 WeakPolarHBondContact O-CB 3.31Å; N641-R644 WeakPolarHBondContact O-CG 3.5Å; N641-R644 PolarHBondContact O-N 3.27Å; Y642-R644 PolarHBondContact O-N 3.2Å; R644-W648 HydrophobicContact CB-CB 3.64Å; R644-W648 HydrophobicContact CB-CD2 3.89Å; R644-W648 HydrophobicContact CB-CE3 4.38Å; R644-W648 HydrophobicContact CB-CG 3.53Å; R644-W648 VanDerWaalsContact CD-CE2 3.5Å; R644-W648 HydrophobicContact CG-CD2 4.41Å; R644-W648 HydrophobicContact CG-CG 4.3Å
645G93.8Very high91.1Very high2 Ų245.8 Ų45.82%0.02122%0.222CC..  trans92.5172.6174.300000113.8F636 Y642 H643 D647 W648 Y649F636-G645 WeakPolarHBondContact CE2-O 3.49Å; Y642-G645 PolarHBondContact O-N 3.03Å; H643-G645 PolarHBondContact O-N 3.21Å; G645-D647 VanDerWaalsContact C-N 3.35Å; G645-D647 PolarHBondContact O-N 3.43Å; G645-W648 PolarHBondContact O-N 3.21Å; G645-Y649 PolarHBondContact O-N 3.43Å
646I94.3Very high89.8Confident11 Ų1145.2 Ų45.26%0.05622%0.221CC..Hα-helixtrans-63.9-40.4-176-55.2173.6000111W573 P576 W648 Y649 M650 L684W573-I646 HydrophobicContact CB-CD1 3.88Å; W573-I646 HydrophobicContact CB-CG1 3.72Å; W573-I646 HydrophobicContact CD2-CG1 4.3Å; W573-I646 HydrophobicContact CG-CD1 4.38Å; W573-I646 HydrophobicContact CG-CG1 3.83Å; P576-I646 HydrophobicContact CG-CD1 3.99Å; I646-W648 VanDerWaalsContact C-N 3.32Å; I646-W648 PolarHBondContact O-N 2.91Å; I646-Y649 WeakPolarHBondContact O-CA 3.37Å; I646-Y649 WeakPolarHBondContact O-CB 3.33Å; I646-Y649 PolarHBondContact O-N 3.4Å; I646-M650 HydrophobicContact CG2-CG 4Å; I646-M650 HydrophobicContact CG2-SD 3.75Å; I646-M650 WeakPolarHBondContact O-CG 3.39Å; I646-M650 PolarHBondContact O-N 2.53Å; I646-L684 HydrophobicContact CD1-CD1 3.88Å; I646-L684 HydrophobicContact CG1-CD1 4.07Å; I646-L684 HydrophobicContact CG2-CD1 4.18Å
647D91.9Very high88.3Confident23 Ų2347.8 Ų47.812%0.12324%0.239CC..Hα-helixtrans-55.9-47.7179.7-64.20.1000111.5V432 K590 G645 Y649 M650 D651V432-D647 HydrophobicContact CG2-CB 4.22Å; V432-D647 WeakPolarHBondContact CG2-OD2 3.47Å; K590-D647 WeakPolarHBondContact CE-OD1 3.23Å; K590-D647 IonicContact NZ-OD1 3.51Å; K590-D647 PolarHBondContact NZ-OD1 3.23Å; K590-D647 IonicContact NZ-OD2 2.7Å; K590-D647 PolarHBondContact NZ-OD2 2.7Å; G645-D647 VanDerWaalsContact C-N 3.35Å; G645-D647 PolarHBondContact O-N 3.43Å; D647-Y649 PolarHBondContact O-N 3.24Å; D647-M650 PolarHBondContact O-N 3.21Å; D647-M650 VanDerWaalsContact O-N 3.17Å; D647-D651 VanDerWaalsContact O-CG 3.23Å; D647-D651 PolarHBondContact O-N 2.96Å
648W93.8Very high86.5Confident49 Ų4956.2 Ų56.219%0.18628%0.284CS..Hα-helixtrans-58.7-35.1176.9-179.181.6000112.6V634 F636 N641 R644 G645 I646 F652V634-W648 HydrophobicContact CG1-CH2 4.07Å; V634-W648 HydrophobicContact CG1-CZ3 3.89Å; F636-W648 HydrophobicContact CB-CZ3 4.3Å; F636-W648 AromaticContact CD2-CE3 3.75Å; F636-W648 HydrophobicContact CD2-CE3 3.75Å; F636-W648 AromaticContact CD2-CZ3 3.77Å; F636-W648 HydrophobicContact CD2-CZ3 3.77Å; F636-W648 HydrophobicContact CE2-CE3 4.22Å; F636-W648 HydrophobicContact CG-CZ3 4.48Å; N641-W648 HydrophobicContact CB-CE3 4.39Å; N641-W648 HydrophobicContact CB-CH2 3.68Å; N641-W648 HydrophobicContact CB-CZ2 4.41Å; N641-W648 HydrophobicContact CB-CZ3 3.69Å; R644-W648 HydrophobicContact CB-CB 3.64Å; R644-W648 HydrophobicContact CB-CD2 3.89Å; R644-W648 HydrophobicContact CB-CE3 4.38Å; R644-W648 HydrophobicContact CB-CG 3.53Å; R644-W648 VanDerWaalsContact CD-CE2 3.5Å; R644-W648 HydrophobicContact CG-CD2 4.41Å; R644-W648 HydrophobicContact CG-CG 4.3Å; G645-W648 PolarHBondContact O-N 3.21Å; I646-W648 VanDerWaalsContact C-N 3.32Å; I646-W648 PolarHBondContact O-N 2.91Å; W648-F652 AromaticContact CD2-CE2 3.99Å; W648-F652 HydrophobicContact CD2-CE2 3.99Å; W648-F652 AromaticContact CE2-CE2 3.59Å; W648-F652 HydrophobicContact CE3-CE2 4.05Å; W648-F652 HydrophobicContact CH2-CD2 4.36Å; W648-F652 AromaticContact CH2-CE2 3.41Å; W648-F652 HydrophobicContact CH2-CE2 3.41Å; W648-F652 VanDerWaalsContact CH2-CE2 3.41Å; W648-F652 AromaticContact CH2-CZ 3.76Å; W648-F652 HydrophobicContact CH2-CZ 3.76Å; W648-F652 AromaticContact CZ2-CE2 3.34Å; W648-F652 HydrophobicContact CZ2-CE2 3.34Å; W648-F652 AromaticContact CZ2-CZ 3.59Å; W648-F652 HydrophobicContact CZ2-CZ 3.59Å; W648-F652 HydrophobicContact CZ3-CD2 4.34Å; W648-F652 AromaticContact CZ3-CE2 3.76Å; W648-F652 HydrophobicContact CZ3-CE2 3.76Å; W648-F652 VanDerWaalsContact O-CD2 3.23Å; W648-F652 WeakPolarHBondContact O-CD2 3.41Å; W648-F652 WeakPolarHBondContact O-CE2 3.24Å
649Y95.4Very high85.2Confident0 Ų061.6 Ų61.60%032%0.318CS..Hα-helixtrans-73.7-44.4177.2-176-122.6000111.7L595 P596 V634 F636 F637 G645 I646 D647 D651 F652 F653 E666 L684L595-Y649 HydrophobicContact CD2-CD1 3.93Å; L595-Y649 HydrophobicContact CD2-CE1 4.15Å; P596-Y649 HydrophobicContact CG-CE1 4Å; P596-Y649 WeakPolarHBondContact CG-OH 3.35Å; V634-Y649 HydrophobicContact CB-CE2 4.36Å; V634-Y649 HydrophobicContact CG1-CD2 3.79Å; V634-Y649 HydrophobicContact CG1-CE2 3.89Å; F636-Y649 HydrophobicContact CB-CD2 3.42Å; F636-Y649 VanDerWaalsContact CB-CD2 3.42Å; F636-Y649 HydrophobicContact CB-CE2 3.57Å; F636-Y649 HydrophobicContact CB-CG 4.29Å; F636-Y649 HydrophobicContact CD1-CD1 4.07Å; F636-Y649 AromaticContact CD1-CD2 3.65Å; F636-Y649 HydrophobicContact CD1-CD2 3.65Å; F636-Y649 HydrophobicContact CD1-CE1 4.35Å; F636-Y649 AromaticContact CD1-CE2 3.96Å; F636-Y649 HydrophobicContact CD1-CE2 3.96Å; F636-Y649 AromaticContact CD1-CG 3.68Å; F636-Y649 HydrophobicContact CD1-CG 3.68Å; F636-Y649 HydrophobicContact CD2-CD2 4.03Å; F636-Y649 HydrophobicContact CD2-CG 4.19Å; F636-Y649 HydrophobicContact CE1-CD1 4.18Å; F636-Y649 HydrophobicContact CE1-CD2 4.39Å; F636-Y649 AromaticContact CE1-CG 3.97Å; F636-Y649 HydrophobicContact CE1-CG 3.97Å; F636-Y649 HydrophobicContact CE2-CG 4.43Å; F636-Y649 AromaticContact CG-CD2 3.43Å; F636-Y649 HydrophobicContact CG-CD2 3.43Å; F636-Y649 VanDerWaalsContact CG-CD2 3.43Å; F636-Y649 AromaticContact CG-CE2 3.94Å; F636-Y649 HydrophobicContact CG-CE2 3.94Å; F636-Y649 AromaticContact CG-CG 3.8Å; F636-Y649 HydrophobicContact CG-CG 3.8Å; F636-Y649 HydrophobicContact CZ-CG 4.33Å; F637-Y649 HydrophobicContact CE2-CE1 4.41Å; F637-Y649 AromaticContact CE2-CZ 3.95Å; F637-Y649 WeakPolarHBondContact CE2-OH 3.25Å; F637-Y649 HydrophobicContact CZ-CE1 4.16Å; G645-Y649 PolarHBondContact O-N 3.43Å; I646-Y649 WeakPolarHBondContact O-CA 3.37Å; I646-Y649 WeakPolarHBondContact O-CB 3.33Å; I646-Y649 PolarHBondContact O-N 3.4Å; D647-Y649 PolarHBondContact O-N 3.24Å; Y649-D651 PolarHBondContact O-N 3.44Å; Y649-F652 WeakPolarHBondContact O-CB 3.4Å; Y649-F652 PolarHBondContact O-N 2.93Å; Y649-F653 HydrophobicContact CD1-CE2 4.3Å; Y649-F653 HydrophobicContact CD2-CE2 4.19Å; Y649-F653 AromaticContact CE1-CE2 4Å; Y649-F653 HydrophobicContact CE1-CE2 4Å; Y649-F653 AromaticContact CE2-CE2 3.89Å; Y649-F653 HydrophobicContact CE2-CE2 3.89Å; Y649-F653 HydrophobicContact CE2-CZ 4.24Å; Y649-F653 HydrophobicContact CG-CE2 4.41Å; Y649-F653 AromaticContact CZ-CE2 3.81Å; Y649-F653 VanDerWaalsContact O-CD2 3.31Å; Y649-F653 WeakPolarHBondContact O-CD2 3.49Å; Y649-F653 WeakPolarHBondContact O-CE2 3.25Å; Y649-E666 VanDerWaalsContact CE2-OE1 3.26Å; Y649-E666 WeakPolarHBondContact CE2-OE1 3.38Å; Y649-E666 PolarHBondContact OH-OE1 3.32Å; Y649-L684 HydrophobicContact CD1-CD2 4.03Å; Y649-L684 HydrophobicContact CE1-CD2 4.3Å
650M93Very high84.5Confident4 Ų456.9 Ų56.92%0.0231%0.308CS..Hα-helixtrans-62.3-32.1178.3-68.5176.874.800112.3W586 T591 R594 L595 I646 D647 F652 F653W586-M650 HydrophobicContact CH2-CE 3.8Å; W586-M650 HydrophobicContact CH2-SD 3.85Å; W586-M650 HydrophobicContact CZ2-CE 4.25Å; W586-M650 HydrophobicContact CZ2-SD 3.78Å; T591-M650 WeakPolarHBondContact O-CE 3.36Å; R594-M650 HydrophobicContact CB-CE 3.78Å; R594-M650 PolarHBondContact NH2-O 2.84Å; L595-M650 HydrophobicContact CD2-CG 3.86Å; I646-M650 HydrophobicContact CG2-CG 4Å; I646-M650 HydrophobicContact CG2-SD 3.75Å; I646-M650 WeakPolarHBondContact O-CG 3.39Å; I646-M650 PolarHBondContact O-N 2.53Å; D647-M650 PolarHBondContact O-N 3.21Å; D647-M650 VanDerWaalsContact O-N 3.17Å; M650-F652 PolarHBondContact O-N 3.42Å; M650-F652 VanDerWaalsContact O-N 3.13Å; M650-F653 PolarHBondContact O-N 3.47Å
651D92.9Very high83.7Confident107 Ų10754.8 Ų54.857%0.57230%0.3SS*.THydrogen-bonded Turntrans-61.9-17.6177.5-72.6-19.7000114.1R594 D647 Y649 F653R594-D651 IonicContact NH2-OD1 3.94Å; D647-D651 VanDerWaalsContact O-CG 3.23Å; D647-D651 PolarHBondContact O-N 2.96Å; Y649-D651 PolarHBondContact O-N 3.44Å; D651-F653 VanDerWaalsContact C-N 3.29Å
652F94.8Very high83Confident23 Ų2354.1 Ų54.110%0.10130%0.296CS..THydrogen-bonded Turntrans-74.7-20.7171.6-80.1-90.4000113.2N624 S625 V634 W648 Y649 M650N624-F652 CarbonylContact C-O 3.42Å; N624-F652 WeakPolarHBondContact CA-O 3.36Å; N624-F652 HydrophobicContact CB-CB 4.09Å; S625-F652 WeakPolarHBondContact CB-O 3.43Å; S625-F652 PolarHBondContact N-O 3.47Å; S625-F652 WeakPolarHBondContact O-CD1 3.21Å; S625-F652 PolarHBondContact OG-O 3Å; V634-F652 HydrophobicContact CG1-CB 4.49Å; V634-F652 HydrophobicContact CG1-CD1 4.14Å; V634-F652 HydrophobicContact CG1-CD2 3.76Å; V634-F652 HydrophobicContact CG1-CE1 4.36Å; V634-F652 HydrophobicContact CG1-CE2 4Å; V634-F652 HydrophobicContact CG1-CG 3.84Å; V634-F652 HydrophobicContact CG1-CZ 4.29Å; V634-F652 HydrophobicContact CG2-CB 4.28Å; V634-F652 HydrophobicContact CG2-CD1 4.01Å; V634-F652 HydrophobicContact CG2-CG 4.11Å; W648-F652 AromaticContact CD2-CE2 3.99Å; W648-F652 HydrophobicContact CD2-CE2 3.99Å; W648-F652 AromaticContact CE2-CE2 3.59Å; W648-F652 HydrophobicContact CE3-CE2 4.05Å; W648-F652 HydrophobicContact CH2-CD2 4.36Å; W648-F652 AromaticContact CH2-CE2 3.41Å; W648-F652 HydrophobicContact CH2-CE2 3.41Å; W648-F652 VanDerWaalsContact CH2-CE2 3.41Å; W648-F652 AromaticContact CH2-CZ 3.76Å; W648-F652 HydrophobicContact CH2-CZ 3.76Å; W648-F652 AromaticContact CZ2-CE2 3.34Å; W648-F652 HydrophobicContact CZ2-CE2 3.34Å; W648-F652 AromaticContact CZ2-CZ 3.59Å; W648-F652 HydrophobicContact CZ2-CZ 3.59Å; W648-F652 HydrophobicContact CZ3-CD2 4.34Å; W648-F652 AromaticContact CZ3-CE2 3.76Å; W648-F652 HydrophobicContact CZ3-CE2 3.76Å; W648-F652 VanDerWaalsContact O-CD2 3.23Å; W648-F652 WeakPolarHBondContact O-CD2 3.41Å; W648-F652 WeakPolarHBondContact O-CE2 3.24Å; Y649-F652 WeakPolarHBondContact O-CB 3.4Å; Y649-F652 PolarHBondContact O-N 2.93Å; M650-F652 PolarHBondContact O-N 3.42Å; M650-F652 VanDerWaalsContact O-N 3.13Å
653F93.3Very high82.8Confident2 Ų255.9 Ų55.91%0.00930%0.304CS..SBendtrans-106.1138.8-173.3-60.3-83.9000111.1R594 P596 N624 Y649 M650 D651 L664 E666R594-F653 PolarHBondContact NE-O 3.5Å; R594-F653 PolarHBondContact NH2-O 3.26Å; R594-F653 WeakPolarHBondContact O-CB 3.49Å; R594-F653 WeakPolarHBondContact O-CD2 3.44Å; R594-F653 VanDerWaalsContact O-CG 3.3Å; R594-F653 WeakPolarHBondContact O-CG 3.36Å; P596-F653 HydrophobicContact CB-CE1 3.87Å; P596-F653 HydrophobicContact CB-CZ 3.93Å; P596-F653 HydrophobicContact CG-CE1 4.08Å; P596-F653 HydrophobicContact CG-CE2 4.18Å; P596-F653 HydrophobicContact CG-CZ 3.6Å; N624-F653 HydrophobicContact CB-CD1 4.24Å; N624-F653 HydrophobicContact CB-CE1 3.85Å; N624-F653 HydrophobicContact CB-CZ 4.17Å; Y649-F653 HydrophobicContact CD1-CE2 4.3Å; Y649-F653 HydrophobicContact CD2-CE2 4.19Å; Y649-F653 AromaticContact CE1-CE2 4Å; Y649-F653 HydrophobicContact CE1-CE2 4Å; Y649-F653 AromaticContact CE2-CE2 3.89Å; Y649-F653 HydrophobicContact CE2-CE2 3.89Å; Y649-F653 HydrophobicContact CE2-CZ 4.24Å; Y649-F653 HydrophobicContact CG-CE2 4.41Å; Y649-F653 AromaticContact CZ-CE2 3.81Å; Y649-F653 VanDerWaalsContact O-CD2 3.31Å; Y649-F653 WeakPolarHBondContact O-CD2 3.49Å; Y649-F653 WeakPolarHBondContact O-CE2 3.25Å; M650-F653 PolarHBondContact O-N 3.47Å; D651-F653 VanDerWaalsContact C-N 3.29Å; F653-L664 HydrophobicContact CB-CD1 4.04Å; F653-L664 HydrophobicContact CD1-CB 4.19Å; F653-L664 HydrophobicContact CD1-CD1 4.32Å; F653-L664 HydrophobicContact CG-CD1 4.43Å; F653-E666 HydrophobicContact CE1-CB 4.35Å; F653-E666 HydrophobicContact CZ-CB 4.02Å; F653-E666 HydrophobicContact CZ-CG 4.42Å
654P88.1Confident82.8Confident52 Ų5253 Ų5334%0.33829%0.29SS..PPolyproline II helixtrans-64153.317528.2-32.6000110.2I622 P656 L664I622-P654 HydrophobicContact CG2-CG 3.75Å; P654-P656 WeakPolarHBondContact O-CD 3.5Å; P654-L664 HydrophobicContact CG-CD2 4.07Å
655T80.6Confident83Confident102 Ų10246.9 Ų46.963%0.62627%0.268SS*.PPolyproline II helixtrans-67.8121.3168.6-53.40000108.2
656P69.1Low83.2Confident26 Ų2646.8 Ų46.817%0.16927%0.267CS..PPolyproline II helixtrans-59.7143179.3-24.334.9000110.6D593 P654 L664D593-P656 HydrophobicContact CB-CB 4.37Å; D593-P656 HydrophobicContact CB-CG 3.69Å; D593-P656 WeakPolarHBondContact O-CG 3.38Å; P654-P656 WeakPolarHBondContact O-CD 3.5Å; P656-L664 HydrophobicContact CG-CD1 4.41Å
657S64.9Low83.3Confident55 Ų5546.4 Ų46.439%0.38527%0.265SS..PPolyproline II helixtrans-75.7145.8172.589.50000109.6V659 T660S657-V659 PolarHBondContact O-N 2.98Å; S657-V659 PolarHBondContact OG-N 3.35Å; S657-T660 PolarHBondContact O-N 3.38Å; S657-T660 WeakPolarHBondContact OG-CG2 3.31Å; S657-T660 PolarHBondContact OG-N 3.12Å; S657-T660 PolarHBondContact OG-OG1 3.44Å
658N59.6Low83.5Confident176 Ų17645.3 Ų45.394%0.94126%0.259SS*.THydrogen-bonded Turntrans-64-2.8176.4-74.2-14.3000113.7
659V57.5Low83.7Confident136 Ų13643 Ų4382%0.82425%0.25SS*.THydrogen-bonded Turntrans-111.1-18.1-169.1-171.30000112S657S657-V659 PolarHBondContact O-N 2.98Å; S657-V659 PolarHBondContact OG-N 3.35Å
660T57.7Low83.6Confident67 Ų6743.5 Ų43.541%0.41125%0.253SS..  trans-114.4143.7-168.351.90000113.7S657 D662S657-T660 PolarHBondContact O-N 3.38Å; S657-T660 WeakPolarHBondContact OG-CG2 3.31Å; S657-T660 PolarHBondContact OG-N 3.12Å; S657-T660 PolarHBondContact OG-OG1 3.44Å; T660-D662 WeakPolarHBondContact CB-OD1 3.15Å; T660-D662 PolarHBondContact O-N 2.93Å; T660-D662 PolarHBondContact OG1-OD1 3.26Å; T660-D662 PolarHBondContact OG1-OD2 2.96Å
661T64.8Low83.8Confident91 Ų9143.3 Ų43.356%0.55825%0.252SS*.  trans-78.154.1168.8460000110.8F663T661-F663 WeakPolarHBondContact O-CD2 3.47Å; T661-F663 PolarHBondContact O-N 3.21Å
662D77.7Confident84Confident21 Ų2138.3 Ų38.311%0.11223%0.225CC..  trans-63127.6-173.8-67.9-17.8000111.4K597 I622 T660K597-D662 WeakPolarHBondContact CE-O 3.2Å; K597-D662 PolarHBondContact NZ-O 2.79Å; I622-D662 HydrophobicContact CD1-CB 4.02Å; I622-D662 VanDerWaalsContact CD1-CG 3.47Å; T660-D662 WeakPolarHBondContact CB-OD1 3.15Å; T660-D662 PolarHBondContact O-N 2.93Å; T660-D662 PolarHBondContact OG1-OD1 3.26Å; T660-D662 PolarHBondContact OG1-OD2 2.96Å
663F89.3Confident84Confident36 Ų3640 Ų4016%0.15823%0.233CC..EExtended strand (participates in β ladder)trans-102.190.6171.5-80.8-97.9000109.3K597 F598 S620 I621 I622 T661 V789K597-F663 HydrophobicContact CB-CD1 4.29Å; K597-F663 HydrophobicContact CD-CD1 3.8Å; K597-F663 HydrophobicContact CD-CE1 4.1Å; K597-F663 HydrophobicContact CD-CG 4.28Å; F598-F663 HydrophobicContact CE1-CB 4.38Å; S620-F663 PolarHBondContact O-N 2.83Å; I621-F663 HydrophobicContact CG1-CB 4.25Å; I622-F663 PolarHBondContact N-O 3.37Å; T661-F663 WeakPolarHBondContact O-CD2 3.47Å; T661-F663 PolarHBondContact O-N 3.21Å; F663-V789 HydrophobicContact CD2-CB 4.48Å; F663-V789 HydrophobicContact CD2-CG2 3.94Å; F663-V789 HydrophobicContact CE2-CB 4.4Å; F663-V789 HydrophobicContact CE2-CG2 4.15Å
664L94.3Very high84.1Confident2 Ų240.6 Ų40.61%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-69.6138.1174.2-61.7-176.8000111D593 P596 K597 I622 F653 P654 P656D593-L664 WeakPolarHBondContact O-CD1 3.31Å; P596-L664 CarbonylContact C-O 3.58Å; P596-L664 VanDerWaalsContact CA-O 3.31Å; P596-L664 WeakPolarHBondContact CA-O 3.48Å; K597-L664 PolarHBondContact N-O 3.08Å; I622-L664 HydrophobicContact CB-CD2 3.95Å; I622-L664 HydrophobicContact CG2-CD2 4.07Å; I622-L664 CarbonylContact O-C 3.58Å; I622-L664 VanDerWaalsContact O-CA 3.28Å; I622-L664 WeakPolarHBondContact O-CA 3.41Å; F653-L664 HydrophobicContact CB-CD1 4.04Å; F653-L664 HydrophobicContact CD1-CB 4.19Å; F653-L664 HydrophobicContact CD1-CD1 4.32Å; F653-L664 HydrophobicContact CG-CD1 4.43Å; P654-L664 HydrophobicContact CG-CD2 4.07Å; P656-L664 HydrophobicContact CG-CD1 4.41Å
665F96.8Very high84.4Confident0 Ų044.5 Ų44.50%025%0.251CS..EExtended strand (participates in β ladder)trans-146.3158.9173.482.1-77.3000112.8F598 V600 Y612 L615 I616 I621 I622 S623 N624F598-F665 HydrophobicContact CD1-CB 3.69Å; F598-F665 HydrophobicContact CD2-CB 3.73Å; F598-F665 HydrophobicContact CD2-CG 4.36Å; F598-F665 HydrophobicContact CE1-CB 3.38Å; F598-F665 HydrophobicContact CE1-CD1 4.26Å; F598-F665 AromaticContact CE1-CG 3.98Å; F598-F665 HydrophobicContact CE1-CG 3.98Å; F598-F665 HydrophobicContact CE2-CB 3.4Å; F598-F665 VanDerWaalsContact CE2-CB 3.4Å; F598-F665 HydrophobicContact CE2-CD1 4.37Å; F598-F665 AromaticContact CE2-CD2 3.72Å; F598-F665 HydrophobicContact CE2-CD2 3.72Å; F598-F665 AromaticContact CE2-CG 3.58Å; F598-F665 HydrophobicContact CE2-CG 3.58Å; F598-F665 HydrophobicContact CG-CB 3.86Å; F598-F665 HydrophobicContact CZ-CB 3.22Å; F598-F665 AromaticContact CZ-CD1 3.73Å; F598-F665 HydrophobicContact CZ-CD1 3.73Å; F598-F665 AromaticContact CZ-CD2 3.93Å; F598-F665 HydrophobicContact CZ-CD2 3.93Å; F598-F665 AromaticContact CZ-CG 3.36Å; F598-F665 HydrophobicContact CZ-CG 3.36Å; F598-F665 WeakPolarHBondContact O-CA 3.38Å; F598-F665 WeakPolarHBondContact O-CB 3.44Å; V600-F665 HydrophobicContact CG2-CD2 4.36Å; Y612-F665 AromaticContact CD2-CE2 3.82Å; Y612-F665 HydrophobicContact CD2-CE2 3.82Å; Y612-F665 AromaticContact CD2-CZ 3.93Å; Y612-F665 HydrophobicContact CD2-CZ 3.93Å; Y612-F665 HydrophobicContact CE2-CE2 4.37Å; Y612-F665 HydrophobicContact CE2-CZ 4.25Å; L615-F665 HydrophobicContact CB-CE1 4.07Å; L615-F665 HydrophobicContact CB-CE2 4.27Å; L615-F665 HydrophobicContact CB-CZ 3.69Å; L615-F665 HydrophobicContact CD1-CD2 4.1Å; L615-F665 HydrophobicContact CD1-CE2 3.64Å; L615-F665 HydrophobicContact CD1-CZ 3.94Å; L615-F665 HydrophobicContact CG-CZ 4.47Å; I616-F665 HydrophobicContact CG2-CE1 3.88Å; I616-F665 HydrophobicContact CG2-CZ 3.83Å; I621-F665 HydrophobicContact CG2-CD1 3.43Å; I621-F665 VanDerWaalsContact CG2-CD1 3.43Å; I621-F665 HydrophobicContact CG2-CE1 3.48Å; I621-F665 VanDerWaalsContact CG2-CE1 3.48Å; I621-F665 HydrophobicContact CG2-CG 4.47Å; I622-F665 WeakPolarHBondContact O-CD1 3.21Å; I622-F665 PolarHBondContact O-N 3.35Å; S623-F665 WeakPolarHBondContact CA-O 3.16Å; N624-F665 PolarHBondContact N-O 3.05Å
666E96.5Very high85.1Confident0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-125.6159.2163.266.8148.5145.400111.4L599 V600 N624 V634 Y649 F653 S668 Y671L599-E666 HydrophobicContact CD2-CG 3.4Å; L599-E666 VanDerWaalsContact CD2-CG 3.4Å; V600-E666 PolarHBondContact N-O 3.49Å; N624-E666 WeakPolarHBondContact OD1-CA 3.37Å; N624-E666 WeakPolarHBondContact OD1-CB 3.43Å; V634-E666 WeakPolarHBondContact CB-OE2 3.48Å; V634-E666 HydrophobicContact CG2-CB 4Å; Y649-E666 VanDerWaalsContact CE2-OE1 3.26Å; Y649-E666 WeakPolarHBondContact CE2-OE1 3.38Å; Y649-E666 PolarHBondContact OH-OE1 3.32Å; F653-E666 HydrophobicContact CE1-CB 4.35Å; F653-E666 HydrophobicContact CZ-CB 4.02Å; F653-E666 HydrophobicContact CZ-CG 4.42Å; E666-S668 PolarHBondContact OE2-OG 2.94Å; E666-Y671 VanDerWaalsContact CD-OH 3.28Å; E666-Y671 VanDerWaalsContact OE1-CE2 3.27Å; E666-Y671 WeakPolarHBondContact OE1-CE2 3.26Å; E666-Y671 PolarHBondContact OE1-OH 3.27Å; E666-Y671 PolarHBondContact OE2-OH 3.11Å; E666-Y671 VanDerWaalsContact OE2-OH 3.04Å
667K96.9Very high86.5Confident3 Ų342.8 Ų42.81%0.01323%0.234CC..EExtended strand (participates in β ladder)trans-121.2123.6171.1173.2-81.5-160.1169.20108.6V600 T608 T609 Y612 E632 E633V600-K667 HydrophobicContact CB-CB 3.89Å; V600-K667 HydrophobicContact CB-CG 3.92Å; V600-K667 HydrophobicContact CG1-CB 4.42Å; V600-K667 HydrophobicContact CG1-CG 3.9Å; V600-K667 WeakPolarHBondContact O-CA 3.37Å; T608-K667 WeakPolarHBondContact OG1-CE 3.3Å; T609-K667 PolarHBondContact OG1-NZ 3.3Å; Y612-K667 HydrophobicContact CD2-CB 3.98Å; E632-K667 HydrophobicContact CG-CD 4.24Å; E632-K667 IonicContact OE1-NZ 3.87Å; E632-K667 PolarHBondContact OE1-NZ 2.85Å; E633-K667 VanDerWaalsContact CA-O 3.25Å; E633-K667 WeakPolarHBondContact CA-O 3.46Å; E633-K667 WeakPolarHBondContact CB-O 3.44Å; E633-K667 HydrophobicContact CG-CD 3.92Å; E633-K667 WeakPolarHBondContact CG-O 3.22Å; E633-K667 WeakPolarHBondContact OE1-CE 3.41Å; E633-K667 IonicContact OE1-NZ 3.44Å; E633-K667 PolarHBondContact OE1-NZ 2.82Å
668S97.3Very high88Confident0 Ų040.1 Ų40.10%022%0.215CC..  trans-143.496.6174.7-730000109V600 V601 V634 Q635 E666 N670 Y671V600-S668 PolarHBondContact O-N 3.33Å; V601-S668 CarbonylContact C-O 3.31Å; V634-S668 PolarHBondContact N-OG 2.83Å; Q635-S668 PolarHBondContact N-OG 3.07Å; E666-S668 PolarHBondContact OE2-OG 2.94Å; S668-N670 PolarHBondContact O-N 2.77Å; S668-Y671 VanDerWaalsContact CB-CE2 3.41Å; S668-Y671 WeakPolarHBondContact O-CB 3.34Å; S668-Y671 PolarHBondContact O-N 3.22Å
669A96.4Very high89.8Confident1 Ų135.7 Ų35.71%0.00819%0.188CC..THydrogen-bonded Turntrans-69.6-9.6-167.500000114.4V601 Q604 T608 E633V601-A669 CarbonylContact O-C 3.59Å; V601-A669 VanDerWaalsContact O-C 3.31Å; V601-A669 WeakPolarHBondContact O-CA 3.34Å; Q604-A669 HydrophobicContact CB-CB 4.4Å; Q604-A669 HydrophobicContact CG-CB 3.68Å; Q604-A669 PolarHBondContact N-O 3.12Å; T608-A669 HydrophobicContact CG2-CB 4.1Å; E633-A669 PolarHBondContact OE1-N 3.41Å
670N93.3Very high91.7Very high10 Ų1029.9 Ų29.95%0.05315%0.151CC..THydrogen-bonded Turntrans-88.7-2.2177.362.61.5000112.9Q635 N638 S668Q635-N670 VanDerWaalsContact CG-ND2 3.33Å; Q635-N670 WeakPolarHBondContact CG-ND2 3.46Å; Q635-N670 PolarHBondContact NE2-ND2 2.85Å; Q635-N670 PolarHBondContact OE1-ND2 3.27Å; N638-N670 VanDerWaalsContact ND2-CB 3.3Å; N638-N670 WeakPolarHBondContact ND2-CB 3.28Å; N638-N670 PolarHBondContact ND2-ND2 2.97Å; N638-N670 PolarHBondContact ND2-O 3.38Å; N638-N670 PolarHBondContact ND2-OD1 3.05Å; N638-N670 VanDerWaalsContact ND2-OD1 3.12Å; S668-N670 PolarHBondContact O-N 2.77Å
671Y97.8Very high93.6Very high0 Ų026.7 Ų26.70%013%0.131CC..SBendtrans-73.3-38.2173.9-69.8-6.6000111.9V601 F636 F637 N638 E666 S668 H673 S674 A677V601-Y671 HydrophobicContact CG1-CD2 4.33Å; V601-Y671 PolarHBondContact O-N 3.36Å; F636-Y671 PolarHBondContact N-OH 2.97Å; F637-Y671 HydrophobicContact CB-CD1 4.38Å; F637-Y671 HydrophobicContact CB-CE1 3.95Å; F637-Y671 HydrophobicContact CB-CE2 4.44Å; F637-Y671 HydrophobicContact CD2-CD2 4.35Å; F637-Y671 HydrophobicContact CD2-CE1 4.47Å; F637-Y671 AromaticContact CD2-CE2 3.6Å; F637-Y671 HydrophobicContact CD2-CE2 3.6Å; F637-Y671 AromaticContact CD2-CZ 3.67Å; F637-Y671 HydrophobicContact CE2-CE2 4.43Å; F637-Y671 HydrophobicContact CG-CE2 4.5Å; F637-Y671 PolarHBondContact N-OH 3.41Å; N638-Y671 HydrophobicContact CB-CD1 3.84Å; N638-Y671 HydrophobicContact CB-CE1 4.24Å; E666-Y671 VanDerWaalsContact CD-OH 3.28Å; E666-Y671 VanDerWaalsContact OE1-CE2 3.27Å; E666-Y671 WeakPolarHBondContact OE1-CE2 3.26Å; E666-Y671 PolarHBondContact OE1-OH 3.27Å; E666-Y671 PolarHBondContact OE2-OH 3.11Å; E666-Y671 VanDerWaalsContact OE2-OH 3.04Å; S668-Y671 VanDerWaalsContact CB-CE2 3.41Å; S668-Y671 WeakPolarHBondContact O-CB 3.34Å; S668-Y671 PolarHBondContact O-N 3.22Å; Y671-H673 PolarHBondContact O-N 2.89Å; Y671-S674 VanDerWaalsContact O-CB 3.26Å; Y671-S674 WeakPolarHBondContact O-CB 3.45Å; Y671-S674 PolarHBondContact O-N 2.73Å; Y671-A677 HydrophobicContact CD1-CB 4.38Å; Y671-A677 HydrophobicContact CG-CB 4.38Å
672F97.8Very high95.2Very high1 Ų123.2 Ų23.20%0.00411%0.111CC..THydrogen-bonded Turntrans-51.5-50.6-173.3-178.7-101.2000113.3V601 P603 T692 L694 Y748 H751 I752 W755V601-F672 HydrophobicContact CG2-CB 4.43Å; V601-F672 HydrophobicContact CG2-CD2 4.18Å; V601-F672 VanDerWaalsContact O-CB 3.26Å; V601-F672 WeakPolarHBondContact O-CB 3.47Å; V601-F672 PolarHBondContact O-N 2.91Å; P603-F672 HydrophobicContact CB-CB 4.26Å; P603-F672 HydrophobicContact CB-CD1 3.62Å; P603-F672 HydrophobicContact CB-CE1 4.22Å; P603-F672 HydrophobicContact CB-CG 4.08Å; P603-F672 HydrophobicContact CG-CD1 3.69Å; P603-F672 HydrophobicContact CG-CE1 3.82Å; P603-F672 HydrophobicContact CG-CG 4.16Å; P603-F672 HydrophobicContact CG-CZ 4.41Å; F672-T692 VanDerWaalsContact CD2-OG1 3.25Å; F672-T692 WeakPolarHBondContact CD2-OG1 3.39Å; F672-T692 HydrophobicContact CE2-CG2 4.36Å; F672-T692 WeakPolarHBondContact CE2-OG1 3.37Å; F672-L694 HydrophobicContact CZ-CD2 4.22Å; F672-Y748 AromaticContact CE1-CD1 3.8Å; F672-Y748 HydrophobicContact CE1-CD1 3.8Å; F672-Y748 HydrophobicContact CE1-CE1 4.46Å; F672-Y748 AromaticContact CZ-CD1 3.98Å; F672-Y748 HydrophobicContact CZ-CD1 3.98Å; F672-H751 HydrophobicContact CD1-CB 3.92Å; F672-H751 AromaticContact CD1-CD2 3.94Å; F672-H751 HydrophobicContact CE1-CB 3.46Å; F672-H751 VanDerWaalsContact CE1-CB 3.46Å; F672-H751 AromaticContact CE1-CD2 3.61Å; F672-H751 AromaticContact CE1-CG 3.88Å; F672-H751 HydrophobicContact CE2-CB 4.24Å; F672-H751 HydrophobicContact CZ-CB 3.65Å; F672-I752 HydrophobicContact CE2-CG1 3.87Å; F672-I752 HydrophobicContact CZ-CG1 4.03Å; F672-W755 PolarHBondContact O-NE1 3.25Å
673H94.9Very high96.1Very high60 Ų6022.7 Ų22.728%0.27811%0.11SC..THydrogen-bonded Turntrans-89.5-5.2-177.868.2-85000113.8Y671 P745 R754Y671-H673 PolarHBondContact O-N 2.89Å; H673-P745 HydrophobicContact CB-CB 4.15Å; H673-P745 HydrophobicContact CB-CG 4.49Å; H673-R754 PolarHBondContact O-NH1 2.92Å
674S95.8Very high96.5Very high13 Ų1321 Ų219%0.09110%0.102CC..  trans-65.3138.4179.5-177.50000110.9N638 Y671 E676 A677 R754N638-S674 WeakPolarHBondContact CB-OG 3.26Å; Y671-S674 VanDerWaalsContact O-CB 3.26Å; Y671-S674 WeakPolarHBondContact O-CB 3.45Å; Y671-S674 PolarHBondContact O-N 2.73Å; S674-E676 PolarHBondContact OG-N 3.03Å; S674-A677 PolarHBondContact OG-N 2.73Å; S674-R754 PolarHBondContact O-NH1 3.45Å
675E94.4Very high96.6Very high135 Ų13521.3 Ų21.363%0.63110%0.104SC*.SBendtrans-73.7-41175.2-62.3-105.1136.500110.8R754E675-R754 IonicContact OE1-CZ 2.75Å; E675-R754 IonicContact OE1-NE 2.74Å; E675-R754 IonicContact OE1-NH2 3.18Å; E675-R754 PolarHBondContact OE1-NH2 3.29Å
676E95Very high96.6Very high91 Ų9123.6 Ų23.643%0.42512%0.119SC..SBendtrans-87.7-25.2-172.6-63.1-57.9138.500114.2S674 K679 R680S674-E676 PolarHBondContact OG-N 3.03Å; E676-K679 PolarHBondContact O-N 2.83Å; E676-R680 WeakPolarHBondContact O-CB 3.36Å; E676-R680 WeakPolarHBondContact O-CG 3.36Å; E676-R680 PolarHBondContact O-N 3.46Å; E676-R680 VanDerWaalsContact O-N 3.08Å
677A97.4Very high96.6Very high0 Ų030.8 Ų30.80%015%0.15CC..Hα-helixtrans-62.1-42.6-169.700000113.6F637 N638 Y671 S674 K679 R680 A681 W755F637-A677 HydrophobicContact CB-CB 3.87Å; N638-A677 HydrophobicContact CB-CB 4.22Å; Y671-A677 HydrophobicContact CD1-CB 4.38Å; Y671-A677 HydrophobicContact CG-CB 4.38Å; S674-A677 PolarHBondContact OG-N 2.73Å; A677-K679 PolarHBondContact O-N 2.91Å; A677-R680 PolarHBondContact O-N 2.69Å; A677-A681 WeakPolarHBondContact O-CB 3.42Å; A677-A681 PolarHBondContact O-N 3.09Å; A677-W755 HydrophobicContact CB-CZ2 4.33Å
678P98.1Very high96.6Very high0 Ų030.8 Ų30.80%015%0.15CC..Hα-helixtrans-57.9-48.4178.6-26.235.7000113A681 A682 R754 W755 Y758P678-A681 PolarHBondContact O-N 3.13Å; P678-A682 WeakPolarHBondContact O-CB 3.42Å; P678-A682 PolarHBondContact O-N 2.78Å; P678-R754 HydrophobicContact CG-CG 4.13Å; P678-W755 HydrophobicContact CB-CD2 4.11Å; P678-W755 HydrophobicContact CB-CE3 4.18Å; P678-W755 HydrophobicContact CB-CG 4.44Å; P678-W755 HydrophobicContact CG-CD2 3.82Å; P678-W755 HydrophobicContact CG-CE3 4.34Å; P678-W755 HydrophobicContact CG-CG 4.04Å; P678-W755 HydrophobicContact CG-CZ2 4.07Å; P678-Y758 HydrophobicContact CB-CD2 3.61Å; P678-Y758 HydrophobicContact CB-CE2 4.19Å; P678-Y758 HydrophobicContact CB-CG 4.41Å
679K96.9Very high96.7Very high83 Ų8333.7 Ų33.736%0.36116%0.163SC..Hα-helixtrans-61.9-45.8179-175.9178.9178.81790111.9L572 E676 A677 S683 Y758L572-K679 HydrophobicContact CD1-CG 4.2Å; E676-K679 PolarHBondContact O-N 2.83Å; A677-K679 PolarHBondContact O-N 2.91Å; K679-S683 VanDerWaalsContact O-CB 3.32Å; K679-S683 WeakPolarHBondContact O-CB 3.37Å; K679-S683 PolarHBondContact O-N 2.86Å; K679-Y758 HydrophobicContact CB-CD1 4.32Å; K679-Y758 HydrophobicContact CB-CE1 3.75Å; K679-Y758 HydrophobicContact CB-CE2 3.99Å; K679-Y758 HydrophobicContact CD-CE1 4.41Å; K679-Y758 HydrophobicContact CG-CD1 4.5Å; K679-Y758 HydrophobicContact CG-CE1 3.74Å
680R97.2Very high96.8Very high14 Ų1433.7 Ų33.75%0.05316%0.163CC..Hα-helixtrans-68.5-38.5-179.3-69.6172.8173.6-174.1-2.7112.3D570 L572 F637 Y642 E676 A677 L684D570-R680 IonicContact OD2-NH2 3.99Å; L572-R680 HydrophobicContact CD1-CB 4.41Å; L572-R680 HydrophobicContact CD1-CG 3.91Å; F637-R680 HydrophobicContact CB-CB 4.45Å; F637-R680 HydrophobicContact CD1-CB 3.77Å; F637-R680 WeakPolarHBondContact O-CD 3.46Å; F637-R680 PolarHBondContact O-NH1 3.36Å; Y642-R680 HydrophobicContact CD1-CG 4.47Å; Y642-R680 HydrophobicContact CD2-CB 4.4Å; Y642-R680 HydrophobicContact CE1-CG 3.92Å; Y642-R680 HydrophobicContact CE2-CB 3.7Å; Y642-R680 HydrophobicContact CE2-CG 3.97Å; E676-R680 WeakPolarHBondContact O-CB 3.36Å; E676-R680 WeakPolarHBondContact O-CG 3.36Å; E676-R680 PolarHBondContact O-N 3.46Å; E676-R680 VanDerWaalsContact O-N 3.08Å; A677-R680 PolarHBondContact O-N 2.69Å; R680-L684 PolarHBondContact O-N 3.42Å
681A98.1Very high97Very high0 Ų033.2 Ų33.20%016%0.16CC..Hα-helixtrans-67.6-48.2175.800000111.1L599 F637 A677 P678 S683 L684 I685 W755 F759L599-A681 HydrophobicContact CD1-CB 3.95Å; F637-A681 HydrophobicContact CD1-CB 4.27Å; F637-A681 HydrophobicContact CD2-CB 4.11Å; F637-A681 HydrophobicContact CE1-CB 4.27Å; F637-A681 HydrophobicContact CE2-CB 4.13Å; F637-A681 HydrophobicContact CG-CB 4.19Å; F637-A681 HydrophobicContact CZ-CB 4.21Å; A677-A681 WeakPolarHBondContact O-CB 3.42Å; A677-A681 PolarHBondContact O-N 3.09Å; P678-A681 PolarHBondContact O-N 3.13Å; A681-S683 PolarHBondContact O-N 3.22Å; A681-L684 PolarHBondContact O-N 2.99Å; A681-I685 CarbonylContact O-C 3.6Å; A681-I685 WeakPolarHBondContact O-CG1 3.24Å; A681-I685 PolarHBondContact O-N 3.42Å; A681-W755 HydrophobicContact CB-CH2 4.43Å; A681-W755 HydrophobicContact CB-CZ3 4.33Å; A681-F759 HydrophobicContact CB-CE2 4.2Å; A681-F759 HydrophobicContact CB-CZ 4.08Å
682A97.8Very high97.1Very high17 Ų1733.2 Ų33.214%0.1416%0.16CC..Hα-helixtrans-62.4-31.5178.600000112.8P678 P686 Y758 F759P678-A682 WeakPolarHBondContact O-CB 3.42Å; P678-A682 PolarHBondContact O-N 2.78Å; A682-P686 VanDerWaalsContact O-CA 3.23Å; A682-P686 WeakPolarHBondContact O-CA 3.37Å; A682-P686 WeakPolarHBondContact O-CB 3.49Å; A682-P686 WeakPolarHBondContact O-CD 3.3Å; A682-Y758 HydrophobicContact CB-CD1 4.45Å; A682-Y758 HydrophobicContact CB-CG 4.38Å; A682-F759 HydrophobicContact CB-CD2 4.39Å; A682-F759 HydrophobicContact CB-CE2 3.75Å; A682-F759 HydrophobicContact CB-CZ 3.84Å
683S96.3Very high97.1Very high11 Ų1133.2 Ų33.28%0.07716%0.16CC..Hα-helixtrans-66-45.2174177.70000113L572 W573 Q574 N575 K679 A681L572-S683 WeakPolarHBondContact CG-OG 3.42Å; W573-S683 VanDerWaalsContact C-OG 3.29Å; W573-S683 CarbonylContact O-C 3.59Å; W573-S683 WeakPolarHBondContact O-CB 3.47Å; W573-S683 PolarHBondContact O-OG 2.84Å; Q574-S683 CarbonylContact C-O 3.55Å; Q574-S683 VanDerWaalsContact CA-O 3.31Å; Q574-S683 WeakPolarHBondContact CA-O 3.26Å; Q574-S683 VanDerWaalsContact CD-OG 3.22Å; Q574-S683 PolarHBondContact NE2-OG 3.25Å; Q574-S683 PolarHBondContact OE1-O 3.2Å; Q574-S683 PolarHBondContact OE1-OG 3.32Å; N575-S683 PolarHBondContact N-O 3.13Å; K679-S683 VanDerWaalsContact O-CB 3.32Å; K679-S683 WeakPolarHBondContact O-CB 3.37Å; K679-S683 PolarHBondContact O-N 2.86Å; A681-S683 PolarHBondContact O-N 3.22Å
684L97Very high97.2Very high0 Ų030.3 Ų30.30%015%0.147CC..Hα-helixtrans-88.4-35.2-174.5-178.159.2000113.5W573 Q574 N575 L595 F636 F637 I646 Y649 R680 A681W573-L684 HydrophobicContact CB-CD1 4.37Å; W573-L684 WeakPolarHBondContact O-CA 3.32Å; W573-L684 PolarHBondContact O-N 3.37Å; Q574-L684 WeakPolarHBondContact O-CD1 3.19Å; N575-L684 VanDerWaalsContact CB-O 3.24Å; N575-L684 WeakPolarHBondContact CB-O 3.42Å; L595-L684 HydrophobicContact CD1-CD1 4.34Å; L595-L684 HydrophobicContact CD2-CD2 4.47Å; F636-L684 HydrophobicContact CE1-CD2 3.76Å; F637-L684 HydrophobicContact CE1-CB 4.15Å; F637-L684 HydrophobicContact CE1-CD2 4.03Å; F637-L684 HydrophobicContact CZ-CB 4.47Å; F637-L684 HydrophobicContact CZ-CD2 4.12Å; I646-L684 HydrophobicContact CD1-CD1 3.88Å; I646-L684 HydrophobicContact CG1-CD1 4.07Å; I646-L684 HydrophobicContact CG2-CD1 4.18Å; Y649-L684 HydrophobicContact CD1-CD2 4.03Å; Y649-L684 HydrophobicContact CE1-CD2 4.3Å; R680-L684 PolarHBondContact O-N 3.42Å; A681-L684 PolarHBondContact O-N 2.99Å
685I97.2Very high97.3Very high9 Ų931.1 Ų31.15%0.04615%0.15CC..  trans-136.563.1-175.649.1174.2000110.1L595 P596 L599 F637 A681 K687 A688L595-I685 HydrophobicContact CB-CG2 3.93Å; L595-I685 HydrophobicContact CD1-CG2 4.07Å; L595-I685 HydrophobicContact CG-CG2 4.45Å; P596-I685 HydrophobicContact CG-CD1 4.19Å; L599-I685 HydrophobicContact CD1-CD1 3.88Å; L599-I685 HydrophobicContact CD2-CD1 3.86Å; L599-I685 HydrophobicContact CG-CD1 3.93Å; F637-I685 HydrophobicContact CE2-CD1 4.01Å; F637-I685 HydrophobicContact CZ-CD1 3.94Å; F637-I685 HydrophobicContact CZ-CG1 4.14Å; A681-I685 CarbonylContact O-C 3.6Å; A681-I685 WeakPolarHBondContact O-CG1 3.24Å; A681-I685 PolarHBondContact O-N 3.42Å; I685-K687 PolarHBondContact O-N 3.46Å; I685-K687 VanDerWaalsContact O-N 3.08Å; I685-A688 HydrophobicContact CB-CB 3.99Å; I685-A688 HydrophobicContact CD1-CB 3.86Å; I685-A688 HydrophobicContact CG1-CB 4.01Å; I685-A688 VanDerWaalsContact O-CB 3.28Å; I685-A688 WeakPolarHBondContact O-CB 3.34Å; I685-A688 PolarHBondContact O-N 3.33Å
686P96.8Very high97.4Very high48 Ų4825.4 Ų25.431%0.31212%0.123SC..THydrogen-bonded Turntrans-58.6-28.2-174.520.6-32000113.5A682 A688 Q763A682-P686 VanDerWaalsContact O-CA 3.23Å; A682-P686 WeakPolarHBondContact O-CA 3.37Å; A682-P686 WeakPolarHBondContact O-CB 3.49Å; A682-P686 WeakPolarHBondContact O-CD 3.3Å; P686-A688 VanDerWaalsContact C-N 3.35Å; P686-Q763 PolarHBondContact O-NE2 3.07Å
687K96.1Very high97.5Very high151 Ų15121 Ų2166%0.65710%0.103SC*.THydrogen-bonded Turntrans-88.5-0.4-177.8-60.7169.1-175152.30113.2D578 I685D578-K687 IonicContact OD1-NZ 2.73Å; D578-K687 PolarHBondContact OD1-NZ 2.75Å; I685-K687 PolarHBondContact O-N 3.46Å; I685-K687 VanDerWaalsContact O-N 3.08Å
688A97.3Very high97.5Very high2 Ų221.1 Ų21.12%0.01710%0.104CC..  trans-67.9142.1-177.300000112K597 I685 P686 Q763K597-A688 VanDerWaalsContact O-CA 3.23Å; K597-A688 WeakPolarHBondContact O-CA 3.3Å; I685-A688 HydrophobicContact CB-CB 3.99Å; I685-A688 HydrophobicContact CD1-CB 3.86Å; I685-A688 HydrophobicContact CG1-CB 4.01Å; I685-A688 VanDerWaalsContact O-CB 3.28Å; I685-A688 WeakPolarHBondContact O-CB 3.34Å; I685-A688 PolarHBondContact O-N 3.33Å; P686-A688 VanDerWaalsContact C-N 3.35Å; A688-Q763 PolarHBondContact O-NE2 3.31Å
689K98.4Very high97.5Very high61 Ų6123.8 Ų23.827%0.26512%0.118SC..EExtended strand (participates in β ladder)trans-81.1145.1168.6-69.2178.1-178.2172.50110.1K597 F598 L599 Q763 F786 L787K597-K689 PolarHBondContact O-N 2.66Å; F598-K689 CarbonylContact C-O 3.41Å; F598-K689 WeakPolarHBondContact CA-O 3.08Å; F598-K689 HydrophobicContact CB-CB 3.8Å; F598-K689 WeakPolarHBondContact CB-O 3.28Å; L599-K689 PolarHBondContact N-O 2.66Å; K689-Q763 CarbonylContact C-O 3.57Å; K689-F786 HydrophobicContact CB-CE1 3.59Å; K689-F786 HydrophobicContact CB-CZ 3.72Å; K689-F786 HydrophobicContact CD-CD1 4.26Å; K689-F786 HydrophobicContact CD-CE1 3.95Å; K689-F786 HydrophobicContact CD-CE2 4.44Å; K689-F786 HydrophobicContact CD-CZ 4.04Å; K689-F786 WeakPolarHBondContact CD-O 3.47Å; K689-F786 VanDerWaalsContact CE-O 3.29Å; K689-F786 WeakPolarHBondContact CE-O 3.32Å; K689-F786 HydrophobicContact CG-CE1 4.1Å; K689-F786 HydrophobicContact CG-CZ 3.95Å; K689-F786 PolarHBondContact NZ-O 3.4Å; K689-L787 HydrophobicContact CB-CD2 4.33Å; K689-L787 HydrophobicContact CD-CD2 4.02Å; K689-L787 PolarHBondContact NZ-O 2.96Å
690I98.6Very high97.5Very high1 Ų119.9 Ų19.91%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-115.8125.7-176.8-53.4-55.9000108.3L599 V601 W755 F759 Q763 L764 L765L599-I690 HydrophobicContact CB-CD1 4.14Å; L599-I690 HydrophobicContact CD1-CD1 4.07Å; L599-I690 HydrophobicContact CG-CD1 4.33Å; V601-I690 HydrophobicContact CB-CG2 4.44Å; V601-I690 HydrophobicContact CG1-CG2 3.77Å; V601-I690 HydrophobicContact CG2-CG2 3.78Å; I690-W755 HydrophobicContact CD1-CE3 4.08Å; I690-W755 HydrophobicContact CD1-CZ3 3.63Å; I690-W755 HydrophobicContact CG1-CE3 4.02Å; I690-W755 HydrophobicContact CG1-CZ3 4.1Å; I690-W755 HydrophobicContact CG2-CD2 4.28Å; I690-W755 HydrophobicContact CG2-CE3 3.85Å; I690-W755 HydrophobicContact CG2-CZ3 4.15Å; I690-F759 HydrophobicContact CD1-CD1 4.22Å; I690-F759 HydrophobicContact CD1-CD2 4.4Å; I690-F759 HydrophobicContact CD1-CE1 3.94Å; I690-F759 HydrophobicContact CD1-CE2 4.13Å; I690-F759 HydrophobicContact CD1-CG 4.44Å; I690-F759 HydrophobicContact CD1-CZ 3.89Å; I690-F759 HydrophobicContact CG1-CB 4.41Å; I690-F759 HydrophobicContact CG1-CD1 3.86Å; I690-F759 HydrophobicContact CG1-CD2 4.11Å; I690-F759 HydrophobicContact CG1-CE1 4.12Å; I690-F759 HydrophobicContact CG1-CE2 4.34Å; I690-F759 HydrophobicContact CG1-CG 3.85Å; I690-F759 HydrophobicContact CG1-CZ 4.34Å; I690-Q763 PolarHBondContact N-O 2.84Å; I690-L764 HydrophobicContact CB-CD1 3.85Å; I690-L764 HydrophobicContact CG2-CD1 3.61Å; I690-L764 CarbonylContact O-C 3.44Å; I690-L764 WeakPolarHBondContact O-CA 3.36Å; I690-L765 PolarHBondContact O-N 3.01Å
691I98.7Very high97.5Very high0 Ų019.2 Ų19.20%010%0.098CC..EExtended strand (participates in β ladder)trans-117.8127177.3-56.9179.2000109.1F598 L599 V600 V601 L611 L765 I767 V783 F786 L787F598-I691 HydrophobicContact CD2-CD1 3.84Å; F598-I691 HydrophobicContact CE2-CD1 4.05Å; L599-I691 PolarHBondContact O-N 3.25Å; V600-I691 WeakPolarHBondContact CA-O 3.36Å; V600-I691 HydrophobicContact CG2-CB 4.31Å; V601-I691 PolarHBondContact N-O 3.38Å; L611-I691 HydrophobicContact CD2-CG2 3.9Å; I691-L765 HydrophobicContact CG1-CB 4.33Å; I691-L765 HydrophobicContact CG1-CD2 4.46Å; I691-L765 HydrophobicContact CG2-CD2 4.5Å; I691-I767 HydrophobicContact CG2-CD1 3.48Å; I691-I767 VanDerWaalsContact CG2-CD1 3.48Å; I691-I767 HydrophobicContact CG2-CG1 4.19Å; I691-V783 HydrophobicContact CD1-CG1 4.13Å; I691-F786 HydrophobicContact CD1-CD1 4.39Å; I691-F786 HydrophobicContact CD1-CE1 4.4Å; I691-F786 HydrophobicContact CG1-CD1 4.26Å; I691-F786 HydrophobicContact CG1-CE1 3.86Å; I691-L787 HydrophobicContact CD1-CD2 4.32Å
692T98.5Very high97.5Very high1 Ų120.2 Ų20.21%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-126.7151.4173.9-1730000110.5G602 F672 L764 L765 I766 I767G602-T692 WeakPolarHBondContact O-CA 3.3Å; G602-T692 PolarHBondContact O-OG1 3.13Å; F672-T692 VanDerWaalsContact CD2-OG1 3.25Å; F672-T692 WeakPolarHBondContact CD2-OG1 3.39Å; F672-T692 HydrophobicContact CE2-CG2 4.36Å; F672-T692 WeakPolarHBondContact CE2-OG1 3.37Å; T692-L764 HydrophobicContact CG2-CD1 4.26Å; T692-L765 PolarHBondContact N-O 2.71Å; T692-I766 HydrophobicContact CG2-CB 4.24Å; T692-I766 HydrophobicContact CG2-CG1 3.8Å; T692-I766 HydrophobicContact CG2-CG2 4.27Å; T692-I767 PolarHBondContact O-N 3.16Å
693I98.3Very high97.5Very high0 Ų020.1 Ų20.10%010%0.101CC..EExtended strand (participates in β ladder)trans-125.3124.2-176.6-49.3167.2000109.1G602 P603 T606 T608 L611 I767 L772G602-I693 PolarHBondContact O-N 3.36Å; P603-I693 WeakPolarHBondContact CD-O 3.13Å; T606-I693 WeakPolarHBondContact CB-O 3.35Å; T606-I693 VanDerWaalsContact CG2-O 3.29Å; T606-I693 WeakPolarHBondContact CG2-O 3.22Å; T606-I693 WeakPolarHBondContact O-CG2 3.46Å; T606-I693 PolarHBondContact OG1-O 3.15Å; T608-I693 HydrophobicContact CG2-CD1 4Å; L611-I693 HydrophobicContact CB-CD1 3.9Å; L611-I693 HydrophobicContact CD2-CD1 3.67Å; L611-I693 HydrophobicContact CD2-CG1 4.08Å; L611-I693 HydrophobicContact CG-CD1 4.42Å; I693-I767 WeakPolarHBondContact CA-O 3.28Å; I693-I767 HydrophobicContact CB-CB 4.4Å; I693-I767 HydrophobicContact CG1-CB 4.16Å; I693-I767 HydrophobicContact CG1-CD1 4.28Å; I693-I767 HydrophobicContact CG1-CG2 4.46Å; I693-I767 HydrophobicContact CG2-CB 4.29Å; I693-I767 HydrophobicContact CG2-CG2 4.07Å; I693-L772 HydrophobicContact CD1-CD2 4.01Å; I693-L772 HydrophobicContact CG2-CD2 4.25Å
694L98.1Very high97.5Very high0 Ų020.1 Ų20.10%010%0.099CC..EExtended strand (participates in β ladder)trans-113135.9-177.9-51.2-177.2000111.5F672 Y748 I752 I766 I767 G769 L850 W864F672-L694 HydrophobicContact CZ-CD2 4.22Å; L694-Y748 HydrophobicContact CB-CE2 4.41Å; L694-Y748 HydrophobicContact CD1-CD2 4.35Å; L694-Y748 HydrophobicContact CD1-CG 4.42Å; L694-Y748 HydrophobicContact CD2-CD1 3.8Å; L694-Y748 HydrophobicContact CD2-CD2 4.16Å; L694-Y748 HydrophobicContact CD2-CE1 4.1Å; L694-Y748 HydrophobicContact CD2-CE2 4.43Å; L694-Y748 HydrophobicContact CD2-CG 3.84Å; L694-I752 HydrophobicContact CD1-CD1 4.16Å; L694-I766 HydrophobicContact CD1-CG2 3.54Å; L694-I766 HydrophobicContact CG-CG2 3.83Å; L694-I767 PolarHBondContact N-O 3.4Å; L694-G769 WeakPolarHBondContact O-CA 3.41Å; L694-G769 PolarHBondContact O-N 2.85Å; L694-L850 HydrophobicContact CD1-CD1 4.32Å; L694-L850 HydrophobicContact CD1-CD2 4.25Å; L694-W864 HydrophobicContact CB-CZ2 4.1Å; L694-W864 PolarHBondContact O-NE1 2.97Å
695I97.1Very high97.6Very high30 Ų3020.3 Ų20.315%0.15410%0.1CC..  trans-125.4176.6168.465.4172.7000108.3K605 T606 P697 R700 Y748 W864K605-I695 WeakPolarHBondContact O-CD1 3.19Å; T606-I695 HydrophobicContact CG2-CD1 4.45Å; T606-I695 HydrophobicContact CG2-CG1 4.01Å; I695-P697 VanDerWaalsContact O-N 3.14Å; I695-R700 HydrophobicContact CD1-CB 3.95Å; I695-R700 HydrophobicContact CD1-CG 4.37Å; I695-R700 HydrophobicContact CG1-CB 3.87Å; I695-R700 HydrophobicContact CG1-CG 4.29Å; I695-Y748 VanDerWaalsContact O-CE2 3.26Å; I695-Y748 WeakPolarHBondContact O-CE2 2.72Å; I695-Y748 PolarHBondContact O-OH 2.97Å; I695-Y748 VanDerWaalsContact O-OH 3.09Å; I695-W864 VanDerWaalsContact C-CE2 3.44Å; I695-W864 WeakPolarHBondContact O-CZ2 3.43Å
696D97Very high97.6Very high14 Ų1421 Ų218%0.07510%0.103CC..  trans-49.9121.7171.4-177.3-37000110.4S698 D699 R700 R836 W864D696-S698 PolarHBondContact O-N 3.38Å; D696-S698 VanDerWaalsContact O-N 3.17Å; D696-S698 WeakPolarHBondContact OD1-CA 3.22Å; D696-S698 WeakPolarHBondContact OD1-CB 3.47Å; D696-S698 PolarHBondContact OD1-N 3.04Å; D696-S698 PolarHBondContact OD1-OG 3.06Å; D696-D699 HydrophobicContact CB-CB 4.21Å; D696-D699 PolarHBondContact O-N 3.46Å; D696-D699 VanDerWaalsContact O-N 3.1Å; D696-R700 WeakPolarHBondContact O-CB 3.17Å; D696-R700 PolarHBondContact O-N 2.97Å; D696-R836 IonicContact OD2-NH1 3.08Å; D696-W864 HydrophobicContact CB-CB 4.36Å; D696-W864 HydrophobicContact CB-CD2 4.38Å; D696-W864 HydrophobicContact CB-CE3 4.22Å; D696-W864 HydrophobicContact CB-CG 4.46Å
697P97.6Very high97.5Very high0 Ų020.7 Ų20.70%010%0.097CC..Hα-helixtrans-63.7-23.2-175.127.1-35.8000112.7I695 A701 Y748 Y843 W864I695-P697 VanDerWaalsContact O-N 3.14Å; P697-A701 WeakPolarHBondContact O-CB 3.28Å; P697-A701 PolarHBondContact O-N 3.37Å; P697-Y748 HydrophobicContact CB-CE2 3.87Å; P697-Y748 HydrophobicContact CG-CE2 4.35Å; P697-Y843 HydrophobicContact CB-CD1 4.07Å; P697-Y843 HydrophobicContact CB-CD2 3.78Å; P697-Y843 HydrophobicContact CB-CE1 3.99Å; P697-Y843 HydrophobicContact CB-CE2 3.69Å; P697-Y843 HydrophobicContact CB-CG 3.96Å; P697-Y843 HydrophobicContact CG-CD1 4.2Å; P697-Y843 HydrophobicContact CG-CD2 3.69Å; P697-Y843 HydrophobicContact CG-CE2 4.13Å; P697-Y843 HydrophobicContact CG-CG 3.71Å; P697-W864 HydrophobicContact CG-CZ3 4.29Å
698S97.4Very high97.6Very high1 Ų114.3 Ų14.31%0.0077%0.07CC..Hα-helixtrans-68.9-49.2173.2-42.30000111D696 R700 A701 Y702 L839D696-S698 PolarHBondContact O-N 3.38Å; D696-S698 VanDerWaalsContact O-N 3.17Å; D696-S698 WeakPolarHBondContact OD1-CA 3.22Å; D696-S698 WeakPolarHBondContact OD1-CB 3.47Å; D696-S698 PolarHBondContact OD1-N 3.04Å; D696-S698 PolarHBondContact OD1-OG 3.06Å; S698-R700 VanDerWaalsContact C-N 3.31Å; S698-R700 PolarHBondContact O-N 3.42Å; S698-A701 PolarHBondContact O-N 3.46Å; S698-Y702 PolarHBondContact O-N 3.48Å; S698-L839 WeakPolarHBondContact OG-CB 3.46Å
699D96.8Very high97.5Very high57 Ų5718.7 Ų18.731%0.3059%0.086SC..Hα-helixtrans-67.5-35177.8-68.1-35.3000111.3D696 Y702 S703 R836D696-D699 HydrophobicContact CB-CB 4.21Å; D696-D699 PolarHBondContact O-N 3.46Å; D696-D699 VanDerWaalsContact O-N 3.1Å; D699-Y702 PolarHBondContact O-N 3.31Å; D699-S703 VanDerWaalsContact O-CB 3.23Å; D699-S703 WeakPolarHBondContact O-CB 3.24Å; D699-S703 PolarHBondContact O-N 3.14Å; D699-R836 IonicContact OD1-CZ 2.87Å; D699-R836 IonicContact OD1-NH1 3.97Å; D699-R836 PolarHBondContact OD1-NH1 2.9Å; D699-R836 IonicContact OD1-NH2 3.52Å; D699-R836 PolarHBondContact OD1-NH2 3.15Å; D699-R836 IonicContact OD2-NH1 3.41Å; D699-R836 IonicContact OD2-NH2 2.76Å
700R97.4Very high97.3Very high0 Ų018.4 Ų18.40%09%0.091CC..Hα-helixtrans-60.6-47172.4-164.6-123.1102.2-143.82.8111.9K605 T606 I695 D696 S698 S703 W704 R741 C742K605-R700 HydrophobicContact CB-CG 4.46Å; T606-R700 HydrophobicContact CG2-CG 3.97Å; I695-R700 HydrophobicContact CD1-CB 3.95Å; I695-R700 HydrophobicContact CD1-CG 4.37Å; I695-R700 HydrophobicContact CG1-CB 3.87Å; I695-R700 HydrophobicContact CG1-CG 4.29Å; D696-R700 WeakPolarHBondContact O-CB 3.17Å; D696-R700 PolarHBondContact O-N 2.97Å; S698-R700 VanDerWaalsContact C-N 3.31Å; S698-R700 PolarHBondContact O-N 3.42Å; R700-S703 PolarHBondContact O-N 3.22Å; R700-W704 PolarHBondContact O-N 3.09Å; R700-R741 PolarHBondContact NH2-O 2.91Å; R700-C742 PolarHBondContact NH1-O 3.3Å; R700-C742 PolarHBondContact NH2-O 3.4Å
701A98.1Very high97Very high0 Ų023.7 Ų23.70%012%0.116CC..Hα-helixtrans-63.5-44.1177.700000111.3P697 S698 W704 Y705 F721 C742 L743P697-A701 WeakPolarHBondContact O-CB 3.28Å; P697-A701 PolarHBondContact O-N 3.37Å; S698-A701 PolarHBondContact O-N 3.46Å; A701-W704 WeakPolarHBondContact O-CB 3.27Å; A701-W704 PolarHBondContact O-N 3.42Å; A701-Y705 PolarHBondContact O-N 3.02Å; A701-F721 HydrophobicContact CB-CZ 4.17Å; A701-C742 HydrophobicContact CB-CB 4.32Å; A701-C742 WeakPolarHBondContact CB-O 3.5Å; A701-L743 HydrophobicContact CB-CD2 4.35Å
702Y97.9Very high96.9Very high21 Ų2131.1 Ų31.18%0.08215%0.151CC..Hα-helixtrans-65.8-43177.8-174.7-125.4000112.4S698 D699 W704 Y705 Q706 F721 Y828 P829 M831S698-Y702 PolarHBondContact O-N 3.48Å; D699-Y702 PolarHBondContact O-N 3.31Å; Y702-W704 PolarHBondContact O-N 3.16Å; Y702-Y705 HydrophobicContact CD2-CD1 4.29Å; Y702-Y705 HydrophobicContact CE2-CD1 4.23Å; Y702-Y705 PolarHBondContact O-N 3.35Å; Y702-Q706 HydrophobicContact CD2-CG 4.35Å; Y702-Q706 HydrophobicContact CE1-CG 4.22Å; Y702-Q706 HydrophobicContact CE2-CG 4.03Å; Y702-Q706 VanDerWaalsContact CZ-NE2 3.34Å; Y702-Q706 WeakPolarHBondContact O-CG 3.3Å; Y702-Q706 PolarHBondContact O-N 2.9Å; Y702-Q706 PolarHBondContact OH-NE2 3.48Å; Y702-F721 HydrophobicContact CD2-CB 4.33Å; Y702-F721 AromaticContact CD2-CD1 3.44Å; Y702-F721 HydrophobicContact CD2-CD1 3.44Å; Y702-F721 VanDerWaalsContact CD2-CD1 3.44Å; Y702-F721 HydrophobicContact CD2-CD2 4.15Å; Y702-F721 AromaticContact CD2-CE1 3.64Å; Y702-F721 HydrophobicContact CD2-CE1 3.64Å; Y702-F721 HydrophobicContact CD2-CE2 4.32Å; Y702-F721 AromaticContact CD2-CG 3.71Å; Y702-F721 HydrophobicContact CD2-CG 3.71Å; Y702-F721 HydrophobicContact CD2-CZ 4.08Å; Y702-F721 HydrophobicContact CE2-CB 4.29Å; Y702-F721 HydrophobicContact CE2-CD1 4.05Å; Y702-F721 HydrophobicContact CE2-CG 4.16Å; Y702-F721 HydrophobicContact CG-CD1 4.35Å; Y702-F721 HydrophobicContact CG-CE1 4.14Å; Y702-F721 HydrophobicContact CG-CZ 4.46Å; Y702-Y828 HydrophobicContact CD1-CD2 4.37Å; Y702-Y828 AromaticContact CD1-CE2 3.95Å; Y702-Y828 HydrophobicContact CD1-CE2 3.95Å; Y702-Y828 AromaticContact CE1-CD2 3.72Å; Y702-Y828 HydrophobicContact CE1-CD2 3.72Å; Y702-Y828 AromaticContact CE1-CE2 3.75Å; Y702-Y828 HydrophobicContact CE1-CE2 3.75Å; Y702-P829 VanDerWaalsContact CE1-O 3.27Å; Y702-P829 WeakPolarHBondContact CE1-O 3.36Å; Y702-P829 PolarHBondContact OH-O 3.35Å; Y702-M831 HydrophobicContact CD1-CB 3.79Å; Y702-M831 HydrophobicContact CD2-CB 4.41Å; Y702-M831 HydrophobicContact CD2-CG 4.48Å; Y702-M831 HydrophobicContact CE1-CB 3.86Å; Y702-M831 HydrophobicContact CE2-CB 4.49Å; Y702-M831 HydrophobicContact CG-CB 4.06Å; Y702-M831 HydrophobicContact CG-CG 4.37Å; Y702-M831 HydrophobicContact CG-SD 4.31Å
703S96.8Very high96.8Very high16 Ų1632.4 Ų32.411%0.11216%0.158CC..Hα-helixtrans-60.7-33.2174.8-168.80000112.3K605 D699 R700 H707 Y828K605-S703 WeakPolarHBondContact CE-O 3.37Å; K605-S703 WeakPolarHBondContact CE-OG 3.21Å; D699-S703 VanDerWaalsContact O-CB 3.23Å; D699-S703 WeakPolarHBondContact O-CB 3.24Å; D699-S703 PolarHBondContact O-N 3.14Å; R700-S703 PolarHBondContact O-N 3.22Å; S703-H707 VanDerWaalsContact O-CB 3.29Å; S703-H707 WeakPolarHBondContact O-CB 3.49Å; S703-H707 PolarHBondContact O-N 3.04Å; S703-Y828 PolarHBondContact OG-OH 3.32Å
704W97.4Very high96.6Very high10 Ų1037 Ų374%0.03819%0.188CC..Hα-helixtrans-70.3-45.6173.8-178.7-108000112.5Q604 K605 R700 A701 Y702 Q706 H707 Q708 R741Q604-W704 HydrophobicContact CB-CE3 4.32Å; Q604-W704 HydrophobicContact CB-CZ3 4.16Å; Q604-W704 VanDerWaalsContact CD-CZ3 3.47Å; Q604-W704 HydrophobicContact CG-CZ3 4.38Å; K605-W704 HydrophobicContact CD-CE3 3.96Å; K605-W704 HydrophobicContact CG-CB 4.06Å; K605-W704 HydrophobicContact CG-CE3 3.8Å; R700-W704 PolarHBondContact O-N 3.09Å; A701-W704 WeakPolarHBondContact O-CB 3.27Å; A701-W704 PolarHBondContact O-N 3.42Å; Y702-W704 PolarHBondContact O-N 3.16Å; W704-Q706 VanDerWaalsContact C-N 3.34Å; W704-Q706 PolarHBondContact O-N 2.92Å; W704-H707 AromaticContact CZ3-ND1 3.97Å; W704-H707 VanDerWaalsContact O-CB 3.29Å; W704-H707 WeakPolarHBondContact O-CB 3.3Å; W704-H707 PolarHBondContact O-N 2.8Å; W704-H707 VanDerWaalsContact O-N 3.14Å; W704-Q708 PolarHBondContact O-N 3.05Å; W704-R741 HydrophobicContact CZ2-CB 4.42Å
705Y97.8Very high96.4Very high5 Ų537.3 Ų37.32%0.0219%0.19CC..Hα-helixtrans-56.5-48173.8169.9-101.9000111.6A701 Y702 H707 Q708 R709 A716 F719 F721 V724 L738A701-Y705 PolarHBondContact O-N 3.02Å; Y702-Y705 HydrophobicContact CD2-CD1 4.29Å; Y702-Y705 HydrophobicContact CE2-CD1 4.23Å; Y702-Y705 PolarHBondContact O-N 3.35Å; Y705-H707 VanDerWaalsContact C-N 3.27Å; Y705-H707 PolarHBondContact O-N 2.82Å; Y705-Q708 PolarHBondContact O-N 2.85Å; Y705-Q708 VanDerWaalsContact O-N 3.1Å; Y705-R709 VanDerWaalsContact CE1-CD 3.43Å; Y705-R709 HydrophobicContact CE1-CG 4.19Å; Y705-R709 HydrophobicContact CE2-CG 4.38Å; Y705-R709 PolarHBondContact O-N 2.98Å; Y705-R709 PolarHBondContact OH-NH1 3.15Å; Y705-A716 HydrophobicContact CD2-CB 4.3Å; Y705-A716 HydrophobicContact CE2-CB 4.17Å; Y705-A716 PolarHBondContact OH-O 3.44Å; Y705-F719 PolarHBondContact OH-O 3.49Å; Y705-F721 VanDerWaalsContact CB-CD2 3.49Å; Y705-F721 HydrophobicContact CD1-CB 3.83Å; Y705-F721 AromaticContact CD1-CD2 3.73Å; Y705-F721 HydrophobicContact CD1-CD2 3.73Å; Y705-F721 HydrophobicContact CD1-CG 4.03Å; Y705-F721 AromaticContact CD2-CD2 3.92Å; Y705-F721 HydrophobicContact CD2-CD2 3.92Å; Y705-F721 HydrophobicContact CE1-CB 3.71Å; Y705-F721 HydrophobicContact CE1-CD2 4.41Å; Y705-F721 HydrophobicContact CE1-CG 4.42Å; Y705-F721 HydrophobicContact CG-CB 4.28Å; Y705-F721 AromaticContact CG-CD2 3.44Å; Y705-F721 HydrophobicContact CG-CD2 3.44Å; Y705-F721 VanDerWaalsContact CG-CD2 3.44Å; Y705-F721 HydrophobicContact CG-CE2 4.15Å; Y705-F721 HydrophobicContact CG-CG 4.2Å; Y705-F721 PolarHBondContact OH-N 3.14Å; Y705-V724 HydrophobicContact CD2-CG2 4.16Å; Y705-V724 HydrophobicContact CE2-CG2 3.92Å; Y705-L738 HydrophobicContact CD2-CD2 4.3Å
706Q97.4Very high96.3Very high23 Ų2335.9 Ų35.911%0.10718%0.183CC..Hα-helixtrans-65-32.4177.4-65.4-6827.400112.8Y702 W704 S710 Y828Y702-Q706 HydrophobicContact CD2-CG 4.35Å; Y702-Q706 HydrophobicContact CE1-CG 4.22Å; Y702-Q706 HydrophobicContact CE2-CG 4.03Å; Y702-Q706 VanDerWaalsContact CZ-NE2 3.34Å; Y702-Q706 WeakPolarHBondContact O-CG 3.3Å; Y702-Q706 PolarHBondContact O-N 2.9Å; Y702-Q706 PolarHBondContact OH-NE2 3.48Å; W704-Q706 VanDerWaalsContact C-N 3.34Å; W704-Q706 PolarHBondContact O-N 2.92Å; Q706-S710 PolarHBondContact O-N 2.84Å; Q706-S710 PolarHBondContact O-OG 2.83Å; Q706-Y828 HydrophobicContact CB-CD1 3.81Å; Q706-Y828 HydrophobicContact CB-CE1 4.02Å; Q706-Y828 HydrophobicContact CB-CG 4.08Å; Q706-Y828 HydrophobicContact CG-CD1 4Å; Q706-Y828 HydrophobicContact CG-CD2 3.83Å; Q706-Y828 HydrophobicContact CG-CE1 4.34Å; Q706-Y828 HydrophobicContact CG-CE2 4.19Å; Q706-Y828 HydrophobicContact CG-CG 3.73Å
707H95.6Very high96.3Very high42 Ų4239.4 Ų39.419%0.19420%0.201CC..Hα-helixtrans-62.4-46171.3180-91.2000111.9K605 S703 W704 Y705 S710 H711K605-H707 HydrophobicContact CD-CB 4.19Å; K605-H707 PolarHBondContact NZ-CD2 2.92Å; K605-H707 VanDerWaalsContact NZ-CD2 3.34Å; S703-H707 VanDerWaalsContact O-CB 3.29Å; S703-H707 WeakPolarHBondContact O-CB 3.49Å; S703-H707 PolarHBondContact O-N 3.04Å; W704-H707 AromaticContact CZ3-ND1 3.97Å; W704-H707 VanDerWaalsContact O-CB 3.29Å; W704-H707 WeakPolarHBondContact O-CB 3.3Å; W704-H707 PolarHBondContact O-N 2.8Å; W704-H707 VanDerWaalsContact O-N 3.14Å; Y705-H707 VanDerWaalsContact C-N 3.27Å; Y705-H707 PolarHBondContact O-N 2.82Å; H707-S710 PolarHBondContact O-N 2.83Å; H707-S710 PolarHBondContact O-OG 2.87Å; H707-H711 AromaticContact CD2-CE1 3.68Å; H707-H711 AromaticContact CD2-ND1 3.99Å; H707-H711 AromaticContact CE1-CE1 3.31Å; H707-H711 PolarHBondContact CE1-CE1 3.48Å; H707-H711 AromaticContact CE1-ND1 3.51Å; H707-H711 AromaticContact ND1-CE1 3.96Å; H707-H711 AromaticContact ND1-ND1 3.76Å; H707-H711 AromaticContact NE2-CE1 3.13Å; H707-H711 PolarHBondContact NE2-CE1 2.8Å; H707-H711 AromaticContact NE2-ND1 3.7Å; H707-H711 PolarHBondContact O-N 2.88Å; H707-H711 PolarHBondContact O-ND1 2.79Å
708Q96.6Very high96.2Very high16 Ų1645.9 Ų45.98%0.07523%0.229CC..Hα-helixtrans-63.6-42.4177.4-67.8-52.1106.600111.7W704 Y705 S710 H711 E712 D713 A716 L738 R741W704-Q708 PolarHBondContact O-N 3.05Å; Y705-Q708 PolarHBondContact O-N 2.85Å; Y705-Q708 VanDerWaalsContact O-N 3.1Å; Q708-S710 VanDerWaalsContact C-N 3.3Å; Q708-S710 PolarHBondContact O-N 2.79Å; Q708-H711 CarbonylContact O-C 3.12Å; Q708-H711 PolarHBondContact O-N 3.4Å; Q708-E712 PolarHBondContact O-N 3.16Å; Q708-D713 HydrophobicContact CB-CB 3.79Å; Q708-D713 PolarHBondContact NE2-OD2 3.21Å; Q708-D713 VanDerWaalsContact O-CB 3.28Å; Q708-D713 WeakPolarHBondContact O-CB 3.41Å; Q708-D713 PolarHBondContact O-N 2.7Å; Q708-D713 VanDerWaalsContact O-N 3.09Å; Q708-A716 HydrophobicContact CB-CB 3.75Å; Q708-L738 HydrophobicContact CB-CD1 4.22Å; Q708-L738 HydrophobicContact CG-CD1 3.85Å; Q708-R741 VanDerWaalsContact NE2-NH2 3.14Å
709R95.6Very high96.2Very high94 Ų9447.2 Ų47.236%0.35524%0.235SC..Hα-helixtrans-56.4-43.3173.1-71.1-169.970133.70.1112.8Y705 H711 E712 A716 L717Y705-R709 VanDerWaalsContact CE1-CD 3.43Å; Y705-R709 HydrophobicContact CE1-CG 4.19Å; Y705-R709 HydrophobicContact CE2-CG 4.38Å; Y705-R709 PolarHBondContact O-N 2.98Å; Y705-R709 PolarHBondContact OH-NH1 3.15Å; R709-H711 PolarHBondContact O-N 3.44Å; R709-E712 PolarHBondContact O-N 3.45Å; R709-A716 WeakPolarHBondContact CD-O 3.37Å; R709-A716 HydrophobicContact CG-CB 3.66Å; R709-A716 VanDerWaalsContact CG-O 3.3Å; R709-A716 WeakPolarHBondContact CG-O 3.12Å; R709-L717 HydrophobicContact CB-CD2 4.39Å
710S93.8Very high96.2Very high55 Ų5547 Ų4739%0.38524%0.237SC..Hα-helixtrans-69.6-14.3178.770.70000114.8Q706 H707 Q708 R826Q706-S710 PolarHBondContact O-N 2.84Å; Q706-S710 PolarHBondContact O-OG 2.83Å; H707-S710 PolarHBondContact O-N 2.83Å; H707-S710 PolarHBondContact O-OG 2.87Å; Q708-S710 VanDerWaalsContact C-N 3.3Å; Q708-S710 PolarHBondContact O-N 2.79Å; S710-R826 VanDerWaalsContact OG-CZ 3.25Å; S710-R826 PolarHBondContact OG-NE 3.16Å; S710-R826 VanDerWaalsContact OG-NE 3.14Å; S710-R826 PolarHBondContact OG-NH2 2.89Å
711H93.5Very high96.2Very high113 Ų11347.4 Ų47.452%0.52324%0.239SC..THydrogen-bonded Turntrans-103.518.2171.9-69.980.8000111.5H707 Q708 R709 D713H707-H711 AromaticContact CD2-CE1 3.68Å; H707-H711 AromaticContact CD2-ND1 3.99Å; H707-H711 AromaticContact CE1-CE1 3.31Å; H707-H711 PolarHBondContact CE1-CE1 3.48Å; H707-H711 AromaticContact CE1-ND1 3.51Å; H707-H711 AromaticContact ND1-CE1 3.96Å; H707-H711 AromaticContact ND1-ND1 3.76Å; H707-H711 AromaticContact NE2-CE1 3.13Å; H707-H711 PolarHBondContact NE2-CE1 2.8Å; H707-H711 AromaticContact NE2-ND1 3.7Å; H707-H711 PolarHBondContact O-N 2.88Å; H707-H711 PolarHBondContact O-ND1 2.79Å; Q708-H711 CarbonylContact O-C 3.12Å; Q708-H711 PolarHBondContact O-N 3.4Å; R709-H711 PolarHBondContact O-N 3.44Å; H711-D713 PolarHBondContact O-N 3.26Å; H711-D713 VanDerWaalsContact O-N 3.14Å
712E95.6Very high96.2Very high155 Ų15551 Ų5172%0.72425%0.253SS*.THydrogen-bonded Turntrans57.231.5175.4-56.2178.3172.600113.6Q708 R709 P714 L717Q708-E712 PolarHBondContact O-N 3.16Å; R709-E712 PolarHBondContact O-N 3.45Å; E712-P714 WeakPolarHBondContact O-CD 3.36Å; E712-L717 HydrophobicContact CB-CD1 4.23Å
713D96.4Very high96.1Very high29 Ų2954.5 Ų54.516%0.15527%0.27CS..  trans-59.1119.8174.2-177.6-66.7000109.5Q708 H711 A715 A716 L717Q708-D713 HydrophobicContact CB-CB 3.79Å; Q708-D713 PolarHBondContact NE2-OD2 3.21Å; Q708-D713 VanDerWaalsContact O-CB 3.28Å; Q708-D713 WeakPolarHBondContact O-CB 3.41Å; Q708-D713 PolarHBondContact O-N 2.7Å; Q708-D713 VanDerWaalsContact O-N 3.09Å; H711-D713 PolarHBondContact O-N 3.26Å; H711-D713 VanDerWaalsContact O-N 3.14Å; D713-A715 VanDerWaalsContact C-N 3.28Å; D713-A715 PolarHBondContact O-N 2.76Å; D713-A715 PolarHBondContact OD1-N 3.38Å; D713-A715 VanDerWaalsContact OD1-N 3.13Å; D713-A716 HydrophobicContact CB-CB 3.91Å; D713-A716 PolarHBondContact O-N 3.39Å; D713-A716 VanDerWaalsContact O-N 3.07Å; D713-A716 PolarHBondContact OD1-N 3.06Å; D713-A716 VanDerWaalsContact OD1-N 3.11Å; D713-L717 PolarHBondContact O-N 3.09Å
714P94.8Very high96.1Very high97 Ų9753.7 Ų53.763%0.6327%0.265SS*.Hα-helixtrans-58.4-38.8-172-2835.1000113.3E712 K718E712-P714 WeakPolarHBondContact O-CD 3.36Å; P714-K718 WeakPolarHBondContact O-CB 3.29Å; P714-K718 PolarHBondContact O-N 2.92Å
715A94.1Very high96.1Very high6 Ų653.3 Ų53.35%0.0526%0.264CS..Hα-helixtrans-69.7-40.4179.200000111D713 L717 K718 F719 E734 L738D713-A715 VanDerWaalsContact C-N 3.28Å; D713-A715 PolarHBondContact O-N 2.76Å; D713-A715 PolarHBondContact OD1-N 3.38Å; D713-A715 VanDerWaalsContact OD1-N 3.13Å; A715-L717 VanDerWaalsContact C-N 3.32Å; A715-L717 PolarHBondContact O-N 3.46Å; A715-K718 PolarHBondContact O-N 3.05Å; A715-F719 HydrophobicContact CB-CD2 4.41Å; A715-F719 WeakPolarHBondContact O-CD2 3.43Å; A715-F719 PolarHBondContact O-N 3.41Å; A715-E734 HydrophobicContact CB-CB 4.27Å; A715-E734 HydrophobicContact CB-CG 4.46Å; A715-L738 HydrophobicContact CB-CB 4.47Å; A715-L738 HydrophobicContact CB-CD2 4.03Å
716A95.4Very high96.1Very high0 Ų055.5 Ų55.50%028%0.278CS..Hα-helixtrans-69-30.7179.700000112.9Y705 Q708 R709 D713 L738Y705-A716 HydrophobicContact CD2-CB 4.3Å; Y705-A716 HydrophobicContact CE2-CB 4.17Å; Y705-A716 PolarHBondContact OH-O 3.44Å; Q708-A716 HydrophobicContact CB-CB 3.75Å; R709-A716 WeakPolarHBondContact CD-O 3.37Å; R709-A716 HydrophobicContact CG-CB 3.66Å; R709-A716 VanDerWaalsContact CG-O 3.3Å; R709-A716 WeakPolarHBondContact CG-O 3.12Å; D713-A716 HydrophobicContact CB-CB 3.91Å; D713-A716 PolarHBondContact O-N 3.39Å; D713-A716 VanDerWaalsContact O-N 3.07Å; D713-A716 PolarHBondContact OD1-N 3.06Å; D713-A716 VanDerWaalsContact OD1-N 3.11Å; A716-L738 HydrophobicContact CB-CD2 3.76Å
717L96.1Very high96Very high88 Ų8855 Ų5546%0.46128%0.278SS..Hα-helixtrans-76-36.9174.6-69179.5000112.6R709 E712 D713 A715R709-L717 HydrophobicContact CB-CD2 4.39Å; E712-L717 HydrophobicContact CB-CD1 4.23Å; D713-L717 PolarHBondContact O-N 3.09Å; A715-L717 VanDerWaalsContact C-N 3.32Å; A715-L717 PolarHBondContact O-N 3.46Å
718K96.4Very high95.8Very high136 Ų13654.8 Ų54.859%0.59129%0.286SS*.Hα-helixtrans-76.6-39.7-176.5179.7177.3171.9-171.60113.7P714 A715 E734P714-K718 WeakPolarHBondContact O-CB 3.29Å; P714-K718 PolarHBondContact O-N 2.92Å; A715-K718 PolarHBondContact O-N 3.05Å; K718-E734 IonicContact NZ-OE1 3.62Å; K718-E734 PolarHBondContact NZ-OE1 2.92Å
719F96.5Very high95.5Very high29 Ų2959.9 Ų59.913%0.12732%0.321CS..SBendtrans-108.8142-173.5-59.9-73.1000111.7Y705 A715 Q723 V724 P732 E734 L735Y705-F719 PolarHBondContact OH-O 3.49Å; A715-F719 HydrophobicContact CB-CD2 4.41Å; A715-F719 WeakPolarHBondContact O-CD2 3.43Å; A715-F719 PolarHBondContact O-N 3.41Å; F719-Q723 HydrophobicContact CB-CB 4.29Å; F719-V724 HydrophobicContact CB-CG2 4.09Å; F719-P732 HydrophobicContact CZ-CG 4.44Å; F719-E734 HydrophobicContact CE2-CG 4.3Å; F719-L735 HydrophobicContact CB-CD1 3.82Å; F719-L735 HydrophobicContact CD1-CD1 4.38Å; F719-L735 HydrophobicContact CD1-CD2 4.11Å; F719-L735 HydrophobicContact CD2-CB 4.28Å; F719-L735 HydrophobicContact CD2-CD1 3.69Å; F719-L735 HydrophobicContact CD2-CD2 4.47Å; F719-L735 HydrophobicContact CD2-CG 4.37Å; F719-L735 HydrophobicContact CE1-CD2 4.18Å; F719-L735 HydrophobicContact CE2-CB 4.09Å; F719-L735 HydrophobicContact CE2-CD1 4.33Å; F719-L735 HydrophobicContact CG-CD1 3.71Å; F719-L735 HydrophobicContact CG-CD2 4.25Å; F719-L735 HydrophobicContact CG-CG 4.48Å; F719-L735 HydrophobicContact CZ-CB 4.49Å; F719-L735 HydrophobicContact CZ-CD2 4.38Å
720S96.5Very high95.3Very high51 Ų5167.3 Ų67.336%0.35735%0.349SS..  trans-67.8159.6172.577.80000111.2Y722 Q723 V724S720-Y722 VanDerWaalsContact C-N 3.26Å; S720-Y722 PolarHBondContact O-N 2.93Å; S720-Q723 PolarHBondContact O-N 3.13Å; S720-Q723 WeakPolarHBondContact OG-CG 3.37Å; S720-Q723 PolarHBondContact OG-N 2.77Å; S720-V724 WeakPolarHBondContact O-CG2 3.19Å; S720-V724 PolarHBondContact O-N 3.34Å
721F97.8Very high95.3Very high9 Ų965.6 Ų65.64%0.03934%0.338CS..Hα-helixtrans-60.2-39178.6-174.3-126000112A701 Y702 Y705 Q723 V724 I725 M831 C835 L839A701-F721 HydrophobicContact CB-CZ 4.17Å; Y702-F721 HydrophobicContact CD2-CB 4.33Å; Y702-F721 AromaticContact CD2-CD1 3.44Å; Y702-F721 HydrophobicContact CD2-CD1 3.44Å; Y702-F721 VanDerWaalsContact CD2-CD1 3.44Å; Y702-F721 HydrophobicContact CD2-CD2 4.15Å; Y702-F721 AromaticContact CD2-CE1 3.64Å; Y702-F721 HydrophobicContact CD2-CE1 3.64Å; Y702-F721 HydrophobicContact CD2-CE2 4.32Å; Y702-F721 AromaticContact CD2-CG 3.71Å; Y702-F721 HydrophobicContact CD2-CG 3.71Å; Y702-F721 HydrophobicContact CD2-CZ 4.08Å; Y702-F721 HydrophobicContact CE2-CB 4.29Å; Y702-F721 HydrophobicContact CE2-CD1 4.05Å; Y702-F721 HydrophobicContact CE2-CG 4.16Å; Y702-F721 HydrophobicContact CG-CD1 4.35Å; Y702-F721 HydrophobicContact CG-CE1 4.14Å; Y702-F721 HydrophobicContact CG-CZ 4.46Å; Y705-F721 VanDerWaalsContact CB-CD2 3.49Å; Y705-F721 HydrophobicContact CD1-CB 3.83Å; Y705-F721 AromaticContact CD1-CD2 3.73Å; Y705-F721 HydrophobicContact CD1-CD2 3.73Å; Y705-F721 HydrophobicContact CD1-CG 4.03Å; Y705-F721 AromaticContact CD2-CD2 3.92Å; Y705-F721 HydrophobicContact CD2-CD2 3.92Å; Y705-F721 HydrophobicContact CE1-CB 3.71Å; Y705-F721 HydrophobicContact CE1-CD2 4.41Å; Y705-F721 HydrophobicContact CE1-CG 4.42Å; Y705-F721 HydrophobicContact CG-CB 4.28Å; Y705-F721 AromaticContact CG-CD2 3.44Å; Y705-F721 HydrophobicContact CG-CD2 3.44Å; Y705-F721 VanDerWaalsContact CG-CD2 3.44Å; Y705-F721 HydrophobicContact CG-CE2 4.15Å; Y705-F721 HydrophobicContact CG-CG 4.2Å; Y705-F721 PolarHBondContact OH-N 3.14Å; F721-Q723 PolarHBondContact O-N 3.1Å; F721-V724 WeakPolarHBondContact O-CB 3.38Å; F721-V724 PolarHBondContact O-N 3.18Å; F721-V724 VanDerWaalsContact O-N 3.17Å; F721-I725 HydrophobicContact CD1-CD1 4.32Å; F721-I725 HydrophobicContact CD1-CG2 4.48Å; F721-I725 HydrophobicContact CD2-CG2 4Å; F721-I725 HydrophobicContact CE1-CD1 4.19Å; F721-I725 HydrophobicContact CE1-CG2 4.04Å; F721-I725 HydrophobicContact CE2-CG2 3.5Å; F721-I725 HydrophobicContact CG-CG2 4.47Å; F721-I725 HydrophobicContact CZ-CG2 3.53Å; F721-I725 WeakPolarHBondContact O-CG1 3.46Å; F721-I725 PolarHBondContact O-N 2.73Å; F721-M831 HydrophobicContact CD1-CG 4.42Å; F721-M831 HydrophobicContact CD1-SD 4.32Å; F721-M831 HydrophobicContact CE1-CG 4.35Å; F721-M831 HydrophobicContact CE1-SD 3.67Å; F721-C835 HydrophobicContact CD1-CB 4.05Å; F721-C835 HydrophobicContact CE1-CB 4.34Å; F721-L839 HydrophobicContact CE1-CD1 3.7Å; F721-L839 HydrophobicContact CZ-CD1 3.87Å
722Y97.6Very high95.3Very high76 Ų7663.3 Ų63.330%0.29833%0.333SS..Hα-helixtrans-60-45.6175.8-169-108.7000112.2S720 V724 I725 T726 E834 C835S720-Y722 VanDerWaalsContact C-N 3.26Å; S720-Y722 PolarHBondContact O-N 2.93Å; Y722-V724 VanDerWaalsContact C-N 3.27Å; Y722-V724 PolarHBondContact O-N 3.48Å; Y722-I725 HydrophobicContact CD2-CD1 4.33Å; Y722-I725 WeakPolarHBondContact O-CG1 3.25Å; Y722-I725 PolarHBondContact O-N 2.91Å; Y722-T726 HydrophobicContact CD1-CG2 4.31Å; Y722-T726 HydrophobicContact CD2-CG2 4.09Å; Y722-T726 HydrophobicContact CE1-CG2 4.02Å; Y722-T726 HydrophobicContact CE2-CG2 3.76Å; Y722-T726 HydrophobicContact CG-CG2 4.37Å; Y722-T726 WeakPolarHBondContact O-CB 3.38Å; Y722-T726 WeakPolarHBondContact O-CG2 3.28Å; Y722-T726 PolarHBondContact O-N 3.47Å; Y722-T726 PolarHBondContact O-OG1 3.34Å; Y722-E834 HydrophobicContact CD2-CG 4.35Å; Y722-E834 HydrophobicContact CE2-CB 4.46Å; Y722-E834 HydrophobicContact CE2-CG 3.67Å; Y722-E834 PolarHBondContact OH-OE1 2.88Å; Y722-C835 VanDerWaalsContact CB-SG 3.6Å
723Q96.6Very high95.3Very high94 Ų9460.2 Ų60.244%0.43933%0.328SS..Hα-helixtrans-61.9-35.4176.1-72.6173.5-35.600112.3F719 S720 F721 A727F719-Q723 HydrophobicContact CB-CB 4.29Å; S720-Q723 PolarHBondContact O-N 3.13Å; S720-Q723 WeakPolarHBondContact OG-CG 3.37Å; S720-Q723 PolarHBondContact OG-N 2.77Å; F721-Q723 PolarHBondContact O-N 3.1Å; Q723-A727 PolarHBondContact O-N 2.96Å
724V97.4Very high95.2Very high0 Ų062.5 Ų62.50%034%0.338CS..Hα-helixtrans-65.7-53.9176173.70000110.6Y705 F719 S720 F721 Y722 T726 A727 L735 L738 Q739Y705-V724 HydrophobicContact CD2-CG2 4.16Å; Y705-V724 HydrophobicContact CE2-CG2 3.92Å; F719-V724 HydrophobicContact CB-CG2 4.09Å; S720-V724 WeakPolarHBondContact O-CG2 3.19Å; S720-V724 PolarHBondContact O-N 3.34Å; F721-V724 WeakPolarHBondContact O-CB 3.38Å; F721-V724 PolarHBondContact O-N 3.18Å; F721-V724 VanDerWaalsContact O-N 3.17Å; Y722-V724 VanDerWaalsContact C-N 3.27Å; Y722-V724 PolarHBondContact O-N 3.48Å; V724-T726 VanDerWaalsContact C-N 3.33Å; V724-T726 PolarHBondContact O-N 3.42Å; V724-A727 WeakPolarHBondContact O-CB 3.46Å; V724-A727 PolarHBondContact O-N 3.2Å; V724-L735 HydrophobicContact CB-CD1 4.09Å; V724-L735 HydrophobicContact CG2-CD1 3.56Å; V724-L738 HydrophobicContact CG1-CB 4.43Å; V724-L738 HydrophobicContact CG1-CD2 4.27Å; V724-L738 HydrophobicContact CG1-CG 3.94Å; V724-L738 HydrophobicContact CG2-CD2 3.83Å; V724-L738 HydrophobicContact CG2-CG 4.4Å; V724-Q739 HydrophobicContact CG1-CB 4.16Å; V724-Q739 WeakPolarHBondContact O-CB 3.44Å; V724-Q739 WeakPolarHBondContact O-CG 3.38Å
725I97.6Very high95.2Very high1 Ų158.3 Ų58.31%0.00531%0.311CS..Hα-helixtrans-71.3-27.9-173.464.6-173.8000113F721 Y722 Q739 L743 C835 F838 L839F721-I725 HydrophobicContact CD1-CD1 4.32Å; F721-I725 HydrophobicContact CD1-CG2 4.48Å; F721-I725 HydrophobicContact CD2-CG2 4Å; F721-I725 HydrophobicContact CE1-CD1 4.19Å; F721-I725 HydrophobicContact CE1-CG2 4.04Å; F721-I725 HydrophobicContact CE2-CG2 3.5Å; F721-I725 HydrophobicContact CG-CG2 4.47Å; F721-I725 HydrophobicContact CZ-CG2 3.53Å; F721-I725 WeakPolarHBondContact O-CG1 3.46Å; F721-I725 PolarHBondContact O-N 2.73Å; Y722-I725 HydrophobicContact CD2-CD1 4.33Å; Y722-I725 WeakPolarHBondContact O-CG1 3.25Å; Y722-I725 PolarHBondContact O-N 2.91Å; I725-Q739 PolarHBondContact O-NE2 3Å; I725-L743 HydrophobicContact CB-CD2 4.43Å; I725-L743 HydrophobicContact CG2-CD2 4.05Å; I725-C835 HydrophobicContact CD1-CB 3.89Å; I725-F838 HydrophobicContact CB-CD1 4.25Å; I725-F838 HydrophobicContact CB-CE1 4.06Å; I725-F838 HydrophobicContact CD1-CD1 3.81Å; I725-F838 HydrophobicContact CD1-CE1 4.47Å; I725-F838 HydrophobicContact CG1-CD1 3.86Å; I725-F838 HydrophobicContact CG1-CE1 4.06Å; I725-F838 WeakPolarHBondContact O-CE1 3.36Å; I725-L839 HydrophobicContact CB-CD2 4.22Å; I725-L839 HydrophobicContact CD1-CD1 4.11Å; I725-L839 HydrophobicContact CD1-CD2 4.27Å; I725-L839 HydrophobicContact CD1-CG 3.97Å; I725-L839 HydrophobicContact CG2-CD2 4.13Å
726T96.6Very high95.3Very high51 Ų5162.9 Ų62.931%0.31333%0.327SS..THydrogen-bonded Turntrans-93.35.2178.361.40000113.9Y722 V724 G728 F838Y722-T726 HydrophobicContact CD1-CG2 4.31Å; Y722-T726 HydrophobicContact CD2-CG2 4.09Å; Y722-T726 HydrophobicContact CE1-CG2 4.02Å; Y722-T726 HydrophobicContact CE2-CG2 3.76Å; Y722-T726 HydrophobicContact CG-CG2 4.37Å; Y722-T726 WeakPolarHBondContact O-CB 3.38Å; Y722-T726 WeakPolarHBondContact O-CG2 3.28Å; Y722-T726 PolarHBondContact O-N 3.47Å; Y722-T726 PolarHBondContact O-OG1 3.34Å; V724-T726 VanDerWaalsContact C-N 3.33Å; V724-T726 PolarHBondContact O-N 3.42Å; T726-G728 PolarHBondContact O-N 2.91Å; T726-G728 VanDerWaalsContact O-N 3.12Å; T726-F838 HydrophobicContact CG2-CD1 4.43Å; T726-F838 HydrophobicContact CG2-CD2 3.98Å; T726-F838 HydrophobicContact CG2-CE1 4.32Å; T726-F838 HydrophobicContact CG2-CE2 3.86Å; T726-F838 HydrophobicContact CG2-CG 4.26Å; T726-F838 HydrophobicContact CG2-CZ 4.03Å
727A95.1Very high95.3Very high14 Ų1465.5 Ų65.512%0.11635%0.348CS..  trans-56.7120.3-177.100000111.6Q723 V724 A731 L735 Q739Q723-A727 PolarHBondContact O-N 2.96Å; V724-A727 WeakPolarHBondContact O-CB 3.46Å; V724-A727 PolarHBondContact O-N 3.2Å; A727-A731 HydrophobicContact CB-CB 3.96Å; A727-L735 HydrophobicContact CB-CD2 4.03Å; A727-L735 HydrophobicContact CB-CG 3.84Å; A727-Q739 HydrophobicContact CB-CB 4.45Å; A727-Q739 PolarHBondContact O-NE2 2.68Å; A727-Q739 PolarHBondContact O-OE1 3.35Å
728G92.3Very high95.3Very high36 Ų3661.5 Ų61.537%0.37133%0.327SS..  trans-83.6176.4179.600000113.8T726 R730 A731T726-G728 PolarHBondContact O-N 2.91Å; T726-G728 VanDerWaalsContact O-N 3.12Å; G728-R730 PolarHBondContact O-N 2.91Å; G728-R730 VanDerWaalsContact O-N 3.09Å; G728-A731 WeakPolarHBondContact O-CB 3.32Å; G728-A731 PolarHBondContact O-N 2.92Å
729P89.7Confident95.3Very high123 Ų12356.7 Ų56.780%0.79931%0.307SS*.THydrogen-bonded Turntrans-60.8-22.2-178.9-24.834.4000114.8R736P729-R736 PolarHBondContact O-NH1 3.4Å
730R92.1Very high95.3Very high251 Ų25162.6 Ų62.695%0.94733%0.332SS*.THydrogen-bonded Turntrans-92.8-2.2177.7-62.5-177-174.9170.31.7113.8G728G728-R730 PolarHBondContact O-N 2.91Å; G728-R730 VanDerWaalsContact O-N 3.09Å
731A93.2Very high95.2Very high18 Ų1865.2 Ų65.215%0.14933%0.334CS..SBendtrans-65.7157.2179.300000112A727 G728 L735 R736A727-A731 HydrophobicContact CB-CB 3.96Å; G728-A731 WeakPolarHBondContact O-CB 3.32Å; G728-A731 PolarHBondContact O-N 2.92Å; A731-L735 HydrophobicContact CB-CD2 4.22Å; A731-R736 HydrophobicContact CB-CG 3.97Å; A731-R736 PolarHBondContact O-NH1 3.4Å
732P94.4Very high95.2Very high65 Ų6564.8 Ų64.842%0.42233%0.332SS..  trans-52.2146.4176.3-2735.2000113.1F719 E734 L735 R736F719-P732 HydrophobicContact CZ-CG 4.44Å; P732-E734 VanDerWaalsContact C-N 3.31Å; P732-E734 HydrophobicContact CB-CG 4.07Å; P732-E734 PolarHBondContact O-N 3.23Å; P732-L735 HydrophobicContact CB-CB 4.36Å; P732-L735 WeakPolarHBondContact O-CB 3.48Å; P732-L735 PolarHBondContact O-N 3.06Å; P732-L735 VanDerWaalsContact O-N 3.11Å; P732-R736 PolarHBondContact O-N 3.22Å
733S94.3Very high95.2Very high90 Ų9061.4 Ų61.463%0.62932%0.32SS*.Hα-helixtrans-58.8-40.2-177.755.40000112.8L735 R736 A737S733-L735 VanDerWaalsContact C-N 3.33Å; S733-L735 PolarHBondContact O-N 3.48Å; S733-R736 PolarHBondContact O-N 3.37Å; S733-A737 VanDerWaalsContact O-CB 3.31Å; S733-A737 WeakPolarHBondContact O-CB 3.35Å; S733-A737 PolarHBondContact O-N 3.08Å
734E94.4Very high95.2Very high77 Ų7757.7 Ų57.736%0.3631%0.305SS..Hα-helixtrans-58.9-42175.761.7-177-169.900112.4A715 K718 F719 P732 A737 L738A715-E734 HydrophobicContact CB-CB 4.27Å; A715-E734 HydrophobicContact CB-CG 4.46Å; K718-E734 IonicContact NZ-OE1 3.62Å; K718-E734 PolarHBondContact NZ-OE1 2.92Å; F719-E734 HydrophobicContact CE2-CG 4.3Å; P732-E734 VanDerWaalsContact C-N 3.31Å; P732-E734 HydrophobicContact CB-CG 4.07Å; P732-E734 PolarHBondContact O-N 3.23Å; E734-A737 PolarHBondContact O-N 2.92Å; E734-L738 PolarHBondContact O-N 3.1Å; E734-L738 VanDerWaalsContact O-N 3.07Å
735L95.6Very high95.2Very high10 Ų1058 Ų585%0.05231%0.307CS..Hα-helixtrans-69.9-45.9179.8-177.556.3000111F719 V724 A727 A731 P732 S733 A737 L738 Q739F719-L735 HydrophobicContact CB-CD1 3.82Å; F719-L735 HydrophobicContact CD1-CD1 4.38Å; F719-L735 HydrophobicContact CD1-CD2 4.11Å; F719-L735 HydrophobicContact CD2-CB 4.28Å; F719-L735 HydrophobicContact CD2-CD1 3.69Å; F719-L735 HydrophobicContact CD2-CD2 4.47Å; F719-L735 HydrophobicContact CD2-CG 4.37Å; F719-L735 HydrophobicContact CE1-CD2 4.18Å; F719-L735 HydrophobicContact CE2-CB 4.09Å; F719-L735 HydrophobicContact CE2-CD1 4.33Å; F719-L735 HydrophobicContact CG-CD1 3.71Å; F719-L735 HydrophobicContact CG-CD2 4.25Å; F719-L735 HydrophobicContact CG-CG 4.48Å; F719-L735 HydrophobicContact CZ-CB 4.49Å; F719-L735 HydrophobicContact CZ-CD2 4.38Å; V724-L735 HydrophobicContact CB-CD1 4.09Å; V724-L735 HydrophobicContact CG2-CD1 3.56Å; A727-L735 HydrophobicContact CB-CD2 4.03Å; A727-L735 HydrophobicContact CB-CG 3.84Å; A731-L735 HydrophobicContact CB-CD2 4.22Å; P732-L735 HydrophobicContact CB-CB 4.36Å; P732-L735 WeakPolarHBondContact O-CB 3.48Å; P732-L735 PolarHBondContact O-N 3.06Å; P732-L735 VanDerWaalsContact O-N 3.11Å; S733-L735 VanDerWaalsContact C-N 3.33Å; S733-L735 PolarHBondContact O-N 3.48Å; L735-A737 VanDerWaalsContact C-N 3.31Å; L735-A737 PolarHBondContact O-N 2.87Å; L735-L738 PolarHBondContact O-N 3.24Å; L735-Q739 WeakPolarHBondContact O-CB 3.46Å; L735-Q739 PolarHBondContact O-N 2.98Å
736R95.3Very high95.2Very high102 Ų10258 Ų5839%0.38531%0.307SS..Hα-helixtrans-63.6-36.4175.9-63.9-166.3-51.3-123.67.9112.2P729 A731 P732 S733 Q739 K740P729-R736 PolarHBondContact O-NH1 3.4Å; A731-R736 HydrophobicContact CB-CG 3.97Å; A731-R736 PolarHBondContact O-NH1 3.4Å; P732-R736 PolarHBondContact O-N 3.22Å; S733-R736 PolarHBondContact O-N 3.37Å; R736-Q739 PolarHBondContact O-N 2.98Å; R736-K740 WeakPolarHBondContact O-CB 3.43Å; R736-K740 PolarHBondContact O-N 3.1Å
737A95Very high95.3Very high54 Ų5459.4 Ų59.445%0.44631%0.307SS..Hα-helixtrans-64.8-4317600000111.5S733 E734 L735 R741S733-A737 VanDerWaalsContact O-CB 3.31Å; S733-A737 WeakPolarHBondContact O-CB 3.35Å; S733-A737 PolarHBondContact O-N 3.08Å; E734-A737 PolarHBondContact O-N 2.92Å; L735-A737 VanDerWaalsContact C-N 3.31Å; L735-A737 PolarHBondContact O-N 2.87Å; A737-R741 WeakPolarHBondContact O-CG 3.35Å; A737-R741 PolarHBondContact O-N 3.49Å; A737-R741 VanDerWaalsContact O-N 3.15Å
738L96.5Very high95.5Very high4 Ų458.9 Ų58.92%0.02130%0.302CS..Hα-helixtrans-65.3-46.1175-177.958.2000111.5Y705 Q708 A715 A716 V724 E734 L735 K740 R741 C742Y705-L738 HydrophobicContact CD2-CD2 4.3Å; Q708-L738 HydrophobicContact CB-CD1 4.22Å; Q708-L738 HydrophobicContact CG-CD1 3.85Å; A715-L738 HydrophobicContact CB-CB 4.47Å; A715-L738 HydrophobicContact CB-CD2 4.03Å; A716-L738 HydrophobicContact CB-CD2 3.76Å; V724-L738 HydrophobicContact CG1-CB 4.43Å; V724-L738 HydrophobicContact CG1-CD2 4.27Å; V724-L738 HydrophobicContact CG1-CG 3.94Å; V724-L738 HydrophobicContact CG2-CD2 3.83Å; V724-L738 HydrophobicContact CG2-CG 4.4Å; E734-L738 PolarHBondContact O-N 3.1Å; E734-L738 VanDerWaalsContact O-N 3.07Å; L735-L738 PolarHBondContact O-N 3.24Å; L738-K740 PolarHBondContact O-N 2.98Å; L738-R741 PolarHBondContact O-N 3.13Å; L738-R741 VanDerWaalsContact O-N 3.17Å; L738-C742 PolarHBondContact O-N 3.4Å; L738-C742 PolarHBondContact O-SG 2.86Å
739Q97.4Very high95.7Very high36 Ų3657.3 Ų57.317%0.16829%0.286CS..Hα-helixtrans-53.6-51.5174.4-178.5-169.741.100111.2V724 I725 A727 L735 R736 R741 C742 L743V724-Q739 HydrophobicContact CG1-CB 4.16Å; V724-Q739 WeakPolarHBondContact O-CB 3.44Å; V724-Q739 WeakPolarHBondContact O-CG 3.38Å; I725-Q739 PolarHBondContact O-NE2 3Å; A727-Q739 HydrophobicContact CB-CB 4.45Å; A727-Q739 PolarHBondContact O-NE2 2.68Å; A727-Q739 PolarHBondContact O-OE1 3.35Å; L735-Q739 WeakPolarHBondContact O-CB 3.46Å; L735-Q739 PolarHBondContact O-N 2.98Å; R736-Q739 PolarHBondContact O-N 2.98Å; Q739-R741 VanDerWaalsContact C-N 3.28Å; Q739-R741 PolarHBondContact O-N 3.49Å; Q739-C742 CarbonylContact O-C 3.45Å; Q739-C742 WeakPolarHBondContact O-CA 3.46Å; Q739-C742 WeakPolarHBondContact O-CB 2.89Å; Q739-C742 PolarHBondContact O-N 3.49Å; Q739-L743 HydrophobicContact CG-CD1 3.7Å; Q739-L743 HydrophobicContact CG-CG 4.17Å; Q739-L743 WeakPolarHBondContact O-CG 3.41Å; Q739-L743 PolarHBondContact O-N 3.34Å
740K95.6Very high96.1Very high152 Ų15254.4 Ų54.466%0.66127%0.266SS*.Hα-helixtrans-57.6-42.1179.6-173.6176.5-178.3177.80111.5R736 L738 A744R736-K740 WeakPolarHBondContact O-CB 3.43Å; R736-K740 PolarHBondContact O-N 3.1Å; L738-K740 PolarHBondContact O-N 2.98Å; K740-A744 HydrophobicContact CG-CB 4.25Å; K740-A744 WeakPolarHBondContact O-CB 3.29Å; K740-A744 PolarHBondContact O-N 3.21Å
741R95.5Very high96.4Very high106 Ų10642.9 Ų42.940%0.422%0.223SC..Hα-helixtrans-69.3-31.9176.9-68.6172.162.9-160.3-6.3112.5R700 W704 Q708 A737 L738 Q739 P745R700-R741 PolarHBondContact NH2-O 2.91Å; W704-R741 HydrophobicContact CZ2-CB 4.42Å; Q708-R741 VanDerWaalsContact NE2-NH2 3.14Å; A737-R741 WeakPolarHBondContact O-CG 3.35Å; A737-R741 PolarHBondContact O-N 3.49Å; A737-R741 VanDerWaalsContact O-N 3.15Å; L738-R741 PolarHBondContact O-N 3.13Å; L738-R741 VanDerWaalsContact O-N 3.17Å; Q739-R741 VanDerWaalsContact C-N 3.28Å; Q739-R741 PolarHBondContact O-N 3.49Å; R741-P745 WeakPolarHBondContact O-CD 3.27Å; R741-P745 WeakPolarHBondContact O-CG 3.24Å
742C97.3Very high96.6Very high0 Ų042 Ų420%022%0.216CC..Hα-helixtrans-69-50.1171.8-68.80000111.6R700 A701 L738 Q739R700-C742 PolarHBondContact NH1-O 3.3Å; R700-C742 PolarHBondContact NH2-O 3.4Å; A701-C742 HydrophobicContact CB-CB 4.32Å; A701-C742 WeakPolarHBondContact CB-O 3.5Å; L738-C742 PolarHBondContact O-N 3.4Å; L738-C742 PolarHBondContact O-SG 2.86Å; Q739-C742 CarbonylContact O-C 3.45Å; Q739-C742 WeakPolarHBondContact O-CA 3.46Å; Q739-C742 WeakPolarHBondContact O-CB 2.89Å; Q739-C742 PolarHBondContact O-N 3.49Å
743L97.9Very high96.8Very high5 Ų543.9 Ų43.93%0.02622%0.219CC..Hα-helixtrans-89.3-51.5-166.9-58.6-175.4000113.6A701 I725 Q739 G746 L839 Y842 Y843A701-L743 HydrophobicContact CB-CD2 4.35Å; I725-L743 HydrophobicContact CB-CD2 4.43Å; I725-L743 HydrophobicContact CG2-CD2 4.05Å; Q739-L743 HydrophobicContact CG-CD1 3.7Å; Q739-L743 HydrophobicContact CG-CG 4.17Å; Q739-L743 WeakPolarHBondContact O-CG 3.41Å; Q739-L743 PolarHBondContact O-N 3.34Å; L743-G746 WeakPolarHBondContact O-CA 3.44Å; L743-G746 PolarHBondContact O-N 2.92Å; L743-L839 HydrophobicContact CD2-CD2 3.52Å; L743-Y842 HydrophobicContact CB-CE1 4.05Å; L743-Y842 HydrophobicContact CD1-CE1 4.11Å; L743-Y842 HydrophobicContact CD1-CE2 4.2Å; L743-Y842 HydrophobicContact CD2-CE1 4.4Å; L743-Y842 HydrophobicContact CG-CE1 4.41Å; L743-Y843 WeakPolarHBondContact CA-OH 3.41Å; L743-Y843 PolarHBondContact O-OH 3.33Å
744A96.7Very high96.9Very high16 Ų1641.5 Ų41.513%0.13220%0.196CC..G310 helixtrans-57-41.5-168.800000114.4K740 G746 W747 H751K740-A744 HydrophobicContact CG-CB 4.25Å; K740-A744 WeakPolarHBondContact O-CB 3.29Å; K740-A744 PolarHBondContact O-N 3.21Å; A744-G746 PolarHBondContact O-N 3.46Å; A744-W747 HydrophobicContact CB-CD2 4.36Å; A744-W747 HydrophobicContact CB-CE3 4.15Å; A744-W747 HydrophobicContact CB-CH2 4.25Å; A744-W747 HydrophobicContact CB-CZ2 4.46Å; A744-W747 HydrophobicContact CB-CZ3 4.1Å; A744-W747 WeakPolarHBondContact O-CB 3.31Å; A744-W747 VanDerWaalsContact O-CG 3.28Å; A744-W747 PolarHBondContact O-N 3.16Å; A744-H751 PolarHBondContact O-NE2 3.37Å; A744-H751 VanDerWaalsContact O-NE2 3.08Å
745P97.1Very high97.1Very high7 Ų738 Ų385%0.04518%0.179CC..G310 helixtrans-67-3.3177.9-16.429.6000114.8H673 R741 Y748H673-P745 HydrophobicContact CB-CB 4.15Å; H673-P745 HydrophobicContact CB-CG 4.49Å; R741-P745 WeakPolarHBondContact O-CD 3.27Å; R741-P745 WeakPolarHBondContact O-CG 3.24Å; P745-Y748 WeakPolarHBondContact O-CE1 3.21Å
746G97.7Very high97.2Very high1 Ų139.3 Ų39.31%0.0119%0.186CC..G310 helixtrans-87.5-6.1173.300000113.2L743 A744 Y748L743-G746 WeakPolarHBondContact O-CA 3.44Å; L743-G746 PolarHBondContact O-N 2.92Å; A744-G746 PolarHBondContact O-N 3.46Å; G746-Y748 PolarHBondContact O-N 2.73Å
747W98Very high97.3Very high81 Ų8139.3 Ų39.331%0.30720%0.198SC..  trans-77.664.5175-56.9-22.8000110.8A744 A749 T750 H751 Y842 Y843 H846A744-W747 HydrophobicContact CB-CD2 4.36Å; A744-W747 HydrophobicContact CB-CE3 4.15Å; A744-W747 HydrophobicContact CB-CH2 4.25Å; A744-W747 HydrophobicContact CB-CZ2 4.46Å; A744-W747 HydrophobicContact CB-CZ3 4.1Å; A744-W747 WeakPolarHBondContact O-CB 3.31Å; A744-W747 VanDerWaalsContact O-CG 3.28Å; A744-W747 PolarHBondContact O-N 3.16Å; W747-A749 PolarHBondContact O-N 3.34Å; W747-T750 PolarHBondContact O-N 3.01Å; W747-H751 PolarHBondContact O-CD2 3.49Å; W747-H751 VanDerWaalsContact O-CD2 3.31Å; W747-H751 PolarHBondContact O-N 2.67Å; W747-Y842 VanDerWaalsContact CZ2-OH 3.29Å; W747-Y842 WeakPolarHBondContact CZ2-OH 3.48Å; W747-Y842 AromaticContact NE1-CE1 3.79Å; W747-Y842 AromaticContact NE1-CZ 3.82Å; W747-Y842 PolarHBondContact NE1-OH 3.42Å; W747-Y843 AromaticContact CD1-CE1 3.95Å; W747-H846 AromaticContact CD1-CD2 3.63Å; W747-H846 AromaticContact CD1-CE1 3.42Å; W747-H846 VanDerWaalsContact CD1-CE1 3.42Å; W747-H846 AromaticContact CD1-CG 3.83Å; W747-H846 AromaticContact CD1-ND1 3.71Å; W747-H846 AromaticContact CD1-NE2 3.34Å; W747-H846 VanDerWaalsContact CD1-NE2 3.34Å; W747-H846 AromaticContact CE2-NE2 3.92Å; W747-H846 AromaticContact CG-CE1 3.7Å; W747-H846 AromaticContact CG-ND1 3.97Å; W747-H846 AromaticContact NE1-CD2 3.8Å; W747-H846 AromaticContact NE1-CE1 3.61Å; W747-H846 AromaticContact NE1-NE2 3.2Å; W747-H846 PolarHBondContact NE1-NE2 3.28Å; W747-H846 VanDerWaalsContact NE1-NE2 3.2Å
748Y98.4Very high97.5Very high2 Ų241.5 Ų41.51%0.00820%0.195CC..Hα-helixtrans-58.9-43.8-167.1-60.5-36.4000113.4P603 F672 L694 I695 P697 P745 G746 T750 H751 I752 L850 W864P603-Y748 HydrophobicContact CG-CD1 4.29Å; P603-Y748 HydrophobicContact CG-CE1 3.7Å; F672-Y748 AromaticContact CE1-CD1 3.8Å; F672-Y748 HydrophobicContact CE1-CD1 3.8Å; F672-Y748 HydrophobicContact CE1-CE1 4.46Å; F672-Y748 AromaticContact CZ-CD1 3.98Å; F672-Y748 HydrophobicContact CZ-CD1 3.98Å; L694-Y748 HydrophobicContact CB-CE2 4.41Å; L694-Y748 HydrophobicContact CD1-CD2 4.35Å; L694-Y748 HydrophobicContact CD1-CG 4.42Å; L694-Y748 HydrophobicContact CD2-CD1 3.8Å; L694-Y748 HydrophobicContact CD2-CD2 4.16Å; L694-Y748 HydrophobicContact CD2-CE1 4.1Å; L694-Y748 HydrophobicContact CD2-CE2 4.43Å; L694-Y748 HydrophobicContact CD2-CG 3.84Å; I695-Y748 VanDerWaalsContact O-CE2 3.26Å; I695-Y748 WeakPolarHBondContact O-CE2 2.72Å; I695-Y748 PolarHBondContact O-OH 2.97Å; I695-Y748 VanDerWaalsContact O-OH 3.09Å; P697-Y748 HydrophobicContact CB-CE2 3.87Å; P697-Y748 HydrophobicContact CG-CE2 4.35Å; P745-Y748 WeakPolarHBondContact O-CE1 3.21Å; G746-Y748 PolarHBondContact O-N 2.73Å; Y748-T750 PolarHBondContact O-N 2.94Å; Y748-H751 PolarHBondContact O-N 3.04Å; Y748-I752 WeakPolarHBondContact O-CB 3.26Å; Y748-I752 WeakPolarHBondContact O-CD1 3.32Å; Y748-I752 VanDerWaalsContact O-CG1 3.26Å; Y748-I752 WeakPolarHBondContact O-CG1 3.38Å; Y748-I752 PolarHBondContact O-N 2.61Å; Y748-L850 HydrophobicContact CD2-CD2 3.89Å; Y748-L850 HydrophobicContact CG-CD2 4.43Å; Y748-W864 AromaticContact CD2-CH2 3.98Å; Y748-W864 HydrophobicContact CD2-CH2 3.98Å; Y748-W864 HydrophobicContact CD2-CZ2 4.12Å; Y748-W864 AromaticContact CE2-CH2 3.9Å; Y748-W864 HydrophobicContact CE2-CH2 3.9Å; Y748-W864 AromaticContact CE2-CZ2 3.93Å; Y748-W864 HydrophobicContact CE2-CZ2 3.93Å
749A98Very high97.5Very high4 Ų441.5 Ų41.53%0.03320%0.195CC..Hα-helixtrans-57.2-52178.900000111.7W747 H751 I752 E753 E849 L850 L853W747-A749 PolarHBondContact O-N 3.34Å; A749-H751 VanDerWaalsContact C-N 3.29Å; A749-H751 PolarHBondContact O-N 2.69Å; A749-I752 PolarHBondContact O-N 3.48Å; A749-E753 WeakPolarHBondContact O-CG 3.19Å; A749-E753 PolarHBondContact O-N 3.3Å; A749-E849 HydrophobicContact CB-CB 4.11Å; A749-L850 HydrophobicContact CB-CB 4.2Å; A749-L853 HydrophobicContact CB-CD2 4.31Å
750T97.4Very high97.5Very high62 Ų6241.7 Ų41.738%0.3820%0.199SC..Hα-helixtrans-54.9-43.7178.7-53.80000112.5W747 Y748 R754W747-T750 PolarHBondContact O-N 3.01Å; Y748-T750 PolarHBondContact O-N 2.94Å; T750-R754 PolarHBondContact O-N 3.03Å
751H98.3Very high97.6Very high8 Ų837.8 Ų37.84%0.03719%0.19CC..Hα-helixtrans-72.8-41.5-179.5-64.8-34.4000112F672 A744 W747 Y748 A749 R754 W755F672-H751 HydrophobicContact CD1-CB 3.92Å; F672-H751 AromaticContact CD1-CD2 3.94Å; F672-H751 HydrophobicContact CE1-CB 3.46Å; F672-H751 VanDerWaalsContact CE1-CB 3.46Å; F672-H751 AromaticContact CE1-CD2 3.61Å; F672-H751 AromaticContact CE1-CG 3.88Å; F672-H751 HydrophobicContact CE2-CB 4.24Å; F672-H751 HydrophobicContact CZ-CB 3.65Å; A744-H751 PolarHBondContact O-NE2 3.37Å; A744-H751 VanDerWaalsContact O-NE2 3.08Å; W747-H751 PolarHBondContact O-CD2 3.49Å; W747-H751 VanDerWaalsContact O-CD2 3.31Å; W747-H751 PolarHBondContact O-N 2.67Å; Y748-H751 PolarHBondContact O-N 3.04Å; A749-H751 VanDerWaalsContact C-N 3.29Å; A749-H751 PolarHBondContact O-N 2.69Å; H751-R754 PolarHBondContact ND1-NH1 2.89Å; H751-R754 WeakPolarHBondContact O-CB 3.18Å; H751-R754 PolarHBondContact O-N 2.81Å; H751-W755 VanDerWaalsContact O-CD1 3.28Å; H751-W755 PolarHBondContact O-N 3.45Å
752I98.4Very high97.6Very high1 Ų141.1 Ų41.11%0.00520%0.203CC..Hα-helixtrans-63.9-43177.5-68.7163000110.9F672 L694 Y748 A749 R754 W755 L756 L764 I766 L850 L853 L857F672-I752 HydrophobicContact CE2-CG1 3.87Å; F672-I752 HydrophobicContact CZ-CG1 4.03Å; L694-I752 HydrophobicContact CD1-CD1 4.16Å; Y748-I752 WeakPolarHBondContact O-CB 3.26Å; Y748-I752 WeakPolarHBondContact O-CD1 3.32Å; Y748-I752 VanDerWaalsContact O-CG1 3.26Å; Y748-I752 WeakPolarHBondContact O-CG1 3.38Å; Y748-I752 PolarHBondContact O-N 2.61Å; A749-I752 PolarHBondContact O-N 3.48Å; I752-R754 PolarHBondContact O-N 2.86Å; I752-W755 WeakPolarHBondContact O-CB 3.36Å; I752-W755 PolarHBondContact O-N 3.29Å; I752-L756 HydrophobicContact CG2-CD1 3.71Å; I752-L756 HydrophobicContact CG2-CG 4.12Å; I752-L756 WeakPolarHBondContact O-CG 3.28Å; I752-L756 PolarHBondContact O-N 3.42Å; I752-L764 HydrophobicContact CG2-CD2 3.75Å; I752-I766 HydrophobicContact CD1-CD1 4.05Å; I752-L850 HydrophobicContact CD1-CD1 3.89Å; I752-L853 HydrophobicContact CB-CD2 3.86Å; I752-L853 HydrophobicContact CG2-CD2 3.67Å; I752-L857 HydrophobicContact CG2-CD1 4.47Å
753E97.6Very high97.6Very high104 Ų10441.9 Ų41.949%0.48621%0.207SC..Hα-helixtrans-58.3-37.8175.5-72.4-174149.300112.4A749 W755 L756 T757 L853A749-E753 WeakPolarHBondContact O-CG 3.19Å; A749-E753 PolarHBondContact O-N 3.3Å; E753-W755 PolarHBondContact O-N 2.9Å; E753-L756 CarbonylContact O-C 3.55Å; E753-L756 PolarHBondContact O-N 3.4Å; E753-T757 PolarHBondContact O-N 2.9Å; E753-T757 PolarHBondContact O-OG1 2.86Å; E753-L853 HydrophobicContact CG-CD1 4.21Å; E753-L853 HydrophobicContact CG-CD2 4.08Å
754R97.6Very high97.6Very high39 Ų3942.2 Ų42.215%0.14721%0.209CC..Hα-helixtrans-63-41.1174.4-164.1-170.1-62.1127.2-4.8112H673 S674 E675 P678 T750 H751 I752 T757 Y758H673-R754 PolarHBondContact O-NH1 2.92Å; S674-R754 PolarHBondContact O-NH1 3.45Å; E675-R754 IonicContact OE1-CZ 2.75Å; E675-R754 IonicContact OE1-NE 2.74Å; E675-R754 IonicContact OE1-NH2 3.18Å; E675-R754 PolarHBondContact OE1-NH2 3.29Å; P678-R754 HydrophobicContact CG-CG 4.13Å; T750-R754 PolarHBondContact O-N 3.03Å; H751-R754 PolarHBondContact ND1-NH1 2.89Å; H751-R754 WeakPolarHBondContact O-CB 3.18Å; H751-R754 PolarHBondContact O-N 2.81Å; I752-R754 PolarHBondContact O-N 2.86Å; R754-T757 WeakPolarHBondContact O-CB 3.42Å; R754-T757 PolarHBondContact O-N 3.38Å; R754-Y758 WeakPolarHBondContact O-CD2 3.42Å
755W98.3Very high97.7Very high4 Ų442.2 Ų42.22%0.01521%0.206CC..Hα-helixtrans-65.6-41.5173.5-79.589.9000111.7V601 F672 A677 P678 A681 I690 H751 I752 E753 T757 Y758 F759V601-W755 HydrophobicContact CB-CH2 4.22Å; V601-W755 HydrophobicContact CB-CZ2 3.86Å; V601-W755 HydrophobicContact CG1-CH2 3.43Å; V601-W755 VanDerWaalsContact CG1-CH2 3.43Å; V601-W755 HydrophobicContact CG1-CZ2 3.61Å; V601-W755 HydrophobicContact CG1-CZ3 3.97Å; V601-W755 HydrophobicContact CG2-CZ2 4.35Å; F672-W755 PolarHBondContact O-NE1 3.25Å; A677-W755 HydrophobicContact CB-CZ2 4.33Å; P678-W755 HydrophobicContact CB-CD2 4.11Å; P678-W755 HydrophobicContact CB-CE3 4.18Å; P678-W755 HydrophobicContact CB-CG 4.44Å; P678-W755 HydrophobicContact CG-CD2 3.82Å; P678-W755 HydrophobicContact CG-CE3 4.34Å; P678-W755 HydrophobicContact CG-CG 4.04Å; P678-W755 HydrophobicContact CG-CZ2 4.07Å; A681-W755 HydrophobicContact CB-CH2 4.43Å; A681-W755 HydrophobicContact CB-CZ3 4.33Å; I690-W755 HydrophobicContact CD1-CE3 4.08Å; I690-W755 HydrophobicContact CD1-CZ3 3.63Å; I690-W755 HydrophobicContact CG1-CE3 4.02Å; I690-W755 HydrophobicContact CG1-CZ3 4.1Å; I690-W755 HydrophobicContact CG2-CD2 4.28Å; I690-W755 HydrophobicContact CG2-CE3 3.85Å; I690-W755 HydrophobicContact CG2-CZ3 4.15Å; H751-W755 VanDerWaalsContact O-CD1 3.28Å; H751-W755 PolarHBondContact O-N 3.45Å; I752-W755 WeakPolarHBondContact O-CB 3.36Å; I752-W755 PolarHBondContact O-N 3.29Å; E753-W755 PolarHBondContact O-N 2.9Å; W755-T757 PolarHBondContact O-N 3.29Å; W755-Y758 PolarHBondContact O-N 3.04Å; W755-F759 AromaticContact CE3-CD2 3.73Å; W755-F759 HydrophobicContact CE3-CD2 3.73Å; W755-F759 AromaticContact CE3-CE2 3.84Å; W755-F759 HydrophobicContact CE3-CE2 3.84Å; W755-F759 HydrophobicContact CZ3-CD2 4.1Å; W755-F759 AromaticContact CZ3-CE2 3.71Å; W755-F759 HydrophobicContact CZ3-CE2 3.71Å; W755-F759 HydrophobicContact CZ3-CZ 4.48Å; W755-F759 PolarHBondContact O-N 3.48Å
756L97.8Very high97.7Very high38 Ų3842.8 Ų42.820%0.19921%0.209CC..Hα-helixtrans-67.3-16.1178.4-69.7170.6000114.1I752 E753 Y758 F759 P761 L764 L853 L857I752-L756 HydrophobicContact CG2-CD1 3.71Å; I752-L756 HydrophobicContact CG2-CG 4.12Å; I752-L756 WeakPolarHBondContact O-CG 3.28Å; I752-L756 PolarHBondContact O-N 3.42Å; E753-L756 CarbonylContact O-C 3.55Å; E753-L756 PolarHBondContact O-N 3.4Å; L756-Y758 PolarHBondContact O-N 3.43Å; L756-F759 WeakPolarHBondContact CA-O 3.24Å; L756-P761 HydrophobicContact CD2-CB 4.39Å; L756-P761 HydrophobicContact CD2-CG 4.1Å; L756-L764 HydrophobicContact CD2-CD2 3.98Å; L756-L764 HydrophobicContact CG-CD2 4.27Å; L756-L853 HydrophobicContact CD1-CD1 4Å; L756-L857 HydrophobicContact CD1-CD1 3.94Å; L756-L857 HydrophobicContact CD1-CD2 3.8Å; L756-L857 HydrophobicContact CD1-CG 4.4Å; L756-L857 HydrophobicContact CD2-CD2 4.18Å
757T97.4Very high97.7Very high101 Ų10142.8 Ų42.862%0.6221%0.209SC*.THydrogen-bonded Turntrans-65.3-28.4171.1-56.30000111.6E753 R754 W755E753-T757 PolarHBondContact O-N 2.9Å; E753-T757 PolarHBondContact O-OG1 2.86Å; R754-T757 WeakPolarHBondContact O-CB 3.42Å; R754-T757 PolarHBondContact O-N 3.38Å; W755-T757 PolarHBondContact O-N 3.29Å
758Y97.9Very high97.6Very high101 Ų10139.9 Ų39.940%0.39620%0.199SC..THydrogen-bonded Turntrans-119.1-25.7-174.1-61.4-81.4000114P678 K679 A682 R754 W755 L756P678-Y758 HydrophobicContact CB-CD2 3.61Å; P678-Y758 HydrophobicContact CB-CE2 4.19Å; P678-Y758 HydrophobicContact CB-CG 4.41Å; K679-Y758 HydrophobicContact CB-CD1 4.32Å; K679-Y758 HydrophobicContact CB-CE1 3.75Å; K679-Y758 HydrophobicContact CB-CE2 3.99Å; K679-Y758 HydrophobicContact CD-CE1 4.41Å; K679-Y758 HydrophobicContact CG-CD1 4.5Å; K679-Y758 HydrophobicContact CG-CE1 3.74Å; A682-Y758 HydrophobicContact CB-CD1 4.45Å; A682-Y758 HydrophobicContact CB-CG 4.38Å; R754-Y758 WeakPolarHBondContact O-CD2 3.42Å; W755-Y758 PolarHBondContact O-N 3.04Å; L756-Y758 PolarHBondContact O-N 3.43Å
759F97.8Very high97.4Very high3 Ų340 Ų401%0.01320%0.201CC..SBendtrans-115.7129.9177.9-70.6-88.2000109.9A681 A682 I690 W755 L756 Q763A681-F759 HydrophobicContact CB-CE2 4.2Å; A681-F759 HydrophobicContact CB-CZ 4.08Å; A682-F759 HydrophobicContact CB-CD2 4.39Å; A682-F759 HydrophobicContact CB-CE2 3.75Å; A682-F759 HydrophobicContact CB-CZ 3.84Å; I690-F759 HydrophobicContact CD1-CD1 4.22Å; I690-F759 HydrophobicContact CD1-CD2 4.4Å; I690-F759 HydrophobicContact CD1-CE1 3.94Å; I690-F759 HydrophobicContact CD1-CE2 4.13Å; I690-F759 HydrophobicContact CD1-CG 4.44Å; I690-F759 HydrophobicContact CD1-CZ 3.89Å; I690-F759 HydrophobicContact CG1-CB 4.41Å; I690-F759 HydrophobicContact CG1-CD1 3.86Å; I690-F759 HydrophobicContact CG1-CD2 4.11Å; I690-F759 HydrophobicContact CG1-CE1 4.12Å; I690-F759 HydrophobicContact CG1-CE2 4.34Å; I690-F759 HydrophobicContact CG1-CG 3.85Å; I690-F759 HydrophobicContact CG1-CZ 4.34Å; W755-F759 AromaticContact CE3-CD2 3.73Å; W755-F759 HydrophobicContact CE3-CD2 3.73Å; W755-F759 AromaticContact CE3-CE2 3.84Å; W755-F759 HydrophobicContact CE3-CE2 3.84Å; W755-F759 HydrophobicContact CZ3-CD2 4.1Å; W755-F759 AromaticContact CZ3-CE2 3.71Å; W755-F759 HydrophobicContact CZ3-CE2 3.71Å; W755-F759 HydrophobicContact CZ3-CZ 4.48Å; W755-F759 PolarHBondContact O-N 3.48Å; L756-F759 WeakPolarHBondContact CA-O 3.24Å; F759-Q763 HydrophobicContact CB-CB 4.5Å; F759-Q763 HydrophobicContact CD1-CB 4.43Å
760P97Very high97.2Very high40 Ų4043.6 Ų43.626%0.2622%0.217SC..  trans-66.6154.4177.228.7-34.3000110.9Y762 Q763P760-Y762 HydrophobicContact CB-CD1 3.75Å; P760-Y762 HydrophobicContact CB-CE1 3.38Å; P760-Y762 HydrophobicContact CG-CD1 3.95Å; P760-Y762 HydrophobicContact CG-CE1 3.31Å; P760-Y762 HydrophobicContact CG-CE2 3.94Å; P760-Y762 HydrophobicContact CG-CG 4.49Å; P760-Y762 WeakPolarHBondContact CG-OH 3.47Å; P760-Y762 PolarHBondContact O-N 2.85Å; P760-Y762 VanDerWaalsContact O-N 3.07Å; P760-Q763 HydrophobicContact CG-CB 4.33Å; P760-Q763 HydrophobicContact CG-CG 4.12Å; P760-Q763 PolarHBondContact O-N 3.36Å
761P96.8Very high97.1Very high71 Ų7143.3 Ų43.346%0.46121%0.212SC..G310 helixtrans-50.5-37.2-177.5-31.536.1000115.3L756 Q763 L764 L857L756-P761 HydrophobicContact CD2-CB 4.39Å; L756-P761 HydrophobicContact CD2-CG 4.1Å; P761-Q763 PolarHBondContact O-N 2.97Å; P761-L764 PolarHBondContact O-N 3.48Å; P761-L857 HydrophobicContact CB-CD2 3.9Å; P761-L857 HydrophobicContact CG-CD2 3.91Å
762Y96.5Very high96.9Very high175 Ų17543.3 Ų43.369%0.68621%0.212SC*.G310 helixtrans-69.4-14.2-179.568-100.2000113.9P760 F786P760-Y762 HydrophobicContact CB-CD1 3.75Å; P760-Y762 HydrophobicContact CB-CE1 3.38Å; P760-Y762 HydrophobicContact CG-CD1 3.95Å; P760-Y762 HydrophobicContact CG-CE1 3.31Å; P760-Y762 HydrophobicContact CG-CE2 3.94Å; P760-Y762 HydrophobicContact CG-CG 4.49Å; P760-Y762 WeakPolarHBondContact CG-OH 3.47Å; P760-Y762 PolarHBondContact O-N 2.85Å; P760-Y762 VanDerWaalsContact O-N 3.07Å; Y762-F786 WeakPolarHBondContact O-CE2 3.43Å
763Q97.9Very high96.7Very high17 Ų1749.5 Ų49.58%0.07924%0.235CC..G310 helixtrans-90.82.1172.3-78.3176.2-109.200112.5P686 A688 K689 I690 F759 P760 P761P686-Q763 PolarHBondContact O-NE2 3.07Å; A688-Q763 PolarHBondContact O-NE2 3.31Å; K689-Q763 CarbonylContact C-O 3.57Å; I690-Q763 PolarHBondContact N-O 2.84Å; F759-Q763 HydrophobicContact CB-CB 4.5Å; F759-Q763 HydrophobicContact CD1-CB 4.43Å; P760-Q763 HydrophobicContact CG-CB 4.33Å; P760-Q763 HydrophobicContact CG-CG 4.12Å; P760-Q763 PolarHBondContact O-N 3.36Å; P761-Q763 PolarHBondContact O-N 2.97Å
764L97.9Very high96.6Very high12 Ų1248.3 Ų48.36%0.06324%0.235CC..EExtended strand (participates in β ladder)trans-116.3124.8-178.3-178.268.3000111.5I690 T692 I752 L756 P761 I766I690-L764 HydrophobicContact CB-CD1 3.85Å; I690-L764 HydrophobicContact CG2-CD1 3.61Å; I690-L764 CarbonylContact O-C 3.44Å; I690-L764 WeakPolarHBondContact O-CA 3.36Å; T692-L764 HydrophobicContact CG2-CD1 4.26Å; I752-L764 HydrophobicContact CG2-CD2 3.75Å; L756-L764 HydrophobicContact CD2-CD2 3.98Å; L756-L764 HydrophobicContact CG-CD2 4.27Å; P761-L764 PolarHBondContact O-N 3.48Å; L764-I766 HydrophobicContact CD2-CD1 4.21Å; L764-I766 HydrophobicContact CD2-CG1 4.22Å; L764-I766 HydrophobicContact CG-CG1 4.19Å
765L97.9Very high96.5Very high16 Ų1648.9 Ų48.98%0.08424%0.241CC..EExtended strand (participates in β ladder)trans-110.3128.6169.1-179.767.1000110.3I690 I691 T692 I767 V783 F786I690-L765 PolarHBondContact O-N 3.01Å; I691-L765 HydrophobicContact CG1-CB 4.33Å; I691-L765 HydrophobicContact CG1-CD2 4.46Å; I691-L765 HydrophobicContact CG2-CD2 4.5Å; T692-L765 PolarHBondContact N-O 2.71Å; L765-I767 HydrophobicContact CD2-CD1 4.36Å; L765-I767 HydrophobicContact CD2-CG1 4.15Å; L765-I767 HydrophobicContact CG-CG1 4.19Å; L765-V783 HydrophobicContact CD2-CB 4.47Å; L765-V783 HydrophobicContact CD2-CG2 3.79Å; L765-F786 HydrophobicContact CB-CD1 3.62Å; L765-F786 HydrophobicContact CB-CD2 4.04Å; L765-F786 HydrophobicContact CB-CE1 3.53Å; L765-F786 HydrophobicContact CB-CE2 3.99Å; L765-F786 HydrophobicContact CB-CG 3.85Å; L765-F786 HydrophobicContact CB-CZ 3.73Å; L765-F786 HydrophobicContact CD1-CB 4.47Å; L765-F786 HydrophobicContact CD1-CG 4.41Å; L765-F786 HydrophobicContact CD2-CB 3.93Å; L765-F786 HydrophobicContact CD2-CD1 3.71Å; L765-F786 HydrophobicContact CD2-CE1 4.4Å; L765-F786 HydrophobicContact CD2-CG 3.91Å; L765-F786 HydrophobicContact CG-CD1 4.23Å; L765-F786 HydrophobicContact CG-CG 4.27Å
766I97.5Very high96.4Very high19 Ų1948.7 Ų48.710%0.09724%0.24CC..EExtended strand (participates in β ladder)trans-111.5109.5178.1-56.3174.6000108.4T692 L694 I752 L764 L854 L857T692-I766 HydrophobicContact CG2-CB 4.24Å; T692-I766 HydrophobicContact CG2-CG1 3.8Å; T692-I766 HydrophobicContact CG2-CG2 4.27Å; L694-I766 HydrophobicContact CD1-CG2 3.54Å; L694-I766 HydrophobicContact CG-CG2 3.83Å; I752-I766 HydrophobicContact CD1-CD1 4.05Å; L764-I766 HydrophobicContact CD2-CD1 4.21Å; L764-I766 HydrophobicContact CD2-CG1 4.22Å; L764-I766 HydrophobicContact CG-CG1 4.19Å; I766-L854 HydrophobicContact CD1-CD2 3.44Å; I766-L854 VanDerWaalsContact CD1-CD2 3.44Å; I766-L854 HydrophobicContact CG2-CD2 4.46Å; I766-L857 HydrophobicContact CD1-CD1 4.35Å
767I96.9Very high96.3Very high1 Ų147.5 Ų47.51%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-89.7134.3-178.5-65.1173.6000110.2L611 I691 T692 I693 L694 L765 G769 L772 V779 V783L611-I767 HydrophobicContact CD1-CD1 4.25Å; L611-I767 HydrophobicContact CD2-CD1 3.8Å; I691-I767 HydrophobicContact CG2-CD1 3.48Å; I691-I767 VanDerWaalsContact CG2-CD1 3.48Å; I691-I767 HydrophobicContact CG2-CG1 4.19Å; T692-I767 PolarHBondContact O-N 3.16Å; I693-I767 WeakPolarHBondContact CA-O 3.28Å; I693-I767 HydrophobicContact CB-CB 4.4Å; I693-I767 HydrophobicContact CG1-CB 4.16Å; I693-I767 HydrophobicContact CG1-CD1 4.28Å; I693-I767 HydrophobicContact CG1-CG2 4.46Å; I693-I767 HydrophobicContact CG2-CB 4.29Å; I693-I767 HydrophobicContact CG2-CG2 4.07Å; L694-I767 PolarHBondContact N-O 3.4Å; L765-I767 HydrophobicContact CD2-CD1 4.36Å; L765-I767 HydrophobicContact CD2-CG1 4.15Å; L765-I767 HydrophobicContact CG-CG1 4.19Å; I767-G769 PolarHBondContact O-N 3.41Å; I767-L772 HydrophobicContact CG2-CB 4.2Å; I767-V779 HydrophobicContact CB-CG1 4.49Å; I767-V779 HydrophobicContact CD1-CG1 4.03Å; I767-V779 HydrophobicContact CG1-CG1 4.21Å; I767-V779 HydrophobicContact CG2-CG1 3.51Å; I767-V779 HydrophobicContact CG2-CG2 4.47Å; I767-V783 HydrophobicContact CD1-CG2 3.7Å
768D95.9Very high96.3Very high20 Ų2045.1 Ų45.111%0.10722%0.22CC..EExtended strand (participates in β ladder)trans-72.6107.8163.7-173.7-11.1000109.4Q770 Q771 L772 P862 S863D768-Q770 PolarHBondContact O-N 3.11Å; D768-Q770 VanDerWaalsContact OD1-CB 3.31Å; D768-Q770 WeakPolarHBondContact OD1-CB 3.37Å; D768-Q770 PolarHBondContact OD1-N 2.58Å; D768-Q771 HydrophobicContact CB-CB 4Å; D768-Q771 WeakPolarHBondContact O-CB 3.49Å; D768-Q771 PolarHBondContact O-N 3.16Å; D768-Q771 VanDerWaalsContact O-N 3.12Å; D768-L772 PolarHBondContact O-N 2.93Å; D768-P862 HydrophobicContact CB-CB 4.21Å; D768-P862 WeakPolarHBondContact OD2-CA 3.3Å; D768-S863 WeakPolarHBondContact OD2-CB 3.48Å; D768-S863 PolarHBondContact OD2-N 3.41Å; D768-S863 PolarHBondContact OD2-OG 3.25Å
769G95.5Very high96.3Very high5 Ų540.4 Ų40.45%0.05220%0.202CC..Hα-helixtrans-67.3-20.4-179.600000113.6L694 I767 R773L694-G769 WeakPolarHBondContact O-CA 3.41Å; L694-G769 PolarHBondContact O-N 2.85Å; I767-G769 PolarHBondContact O-N 3.41Å; G769-R773 WeakPolarHBondContact O-CB 3.45Å; G769-R773 PolarHBondContact O-N 3.24Å
770Q92.8Very high96.3Very high79 Ų7940.2 Ų40.237%0.36920%0.201SC..Hα-helixtrans-71-43.3170.9-175.863.413.300110.2D768 R773 T774D768-Q770 PolarHBondContact O-N 3.11Å; D768-Q770 VanDerWaalsContact OD1-CB 3.31Å; D768-Q770 WeakPolarHBondContact OD1-CB 3.37Å; D768-Q770 PolarHBondContact OD1-N 2.58Å; Q770-R773 WeakPolarHBondContact O-CB 3.31Å; Q770-R773 PolarHBondContact O-N 3.38Å; Q770-R773 VanDerWaalsContact O-N 3.14Å; Q770-T774 PolarHBondContact O-N 3.02Å; Q770-T774 PolarHBondContact O-OG1 2.89Å; Q770-T774 VanDerWaalsContact O-OG1 3.1Å
771Q94.7Very high96.3Very high56 Ų5640.9 Ų40.926%0.26220%0.203SC..Hα-helixtrans-64.4-42.9174.9-166.5-179.17.200111.2D768 R773 T774 D775 V779D768-Q771 HydrophobicContact CB-CB 4Å; D768-Q771 WeakPolarHBondContact O-CB 3.49Å; D768-Q771 PolarHBondContact O-N 3.16Å; D768-Q771 VanDerWaalsContact O-N 3.12Å; Q771-R773 PolarHBondContact O-N 3.11Å; Q771-R773 VanDerWaalsContact O-N 3.13Å; Q771-T774 PolarHBondContact O-N 2.75Å; Q771-T774 VanDerWaalsContact O-N 3.09Å; Q771-T774 PolarHBondContact O-OG1 3.11Å; Q771-D775 CarbonylContact O-C 3.44Å; Q771-D775 WeakPolarHBondContact O-CA 3.49Å; Q771-D775 PolarHBondContact O-N 3.13Å; Q771-V779 HydrophobicContact CB-CG2 4Å; Q771-V779 HydrophobicContact CG-CG2 3.78Å
772L95.8Very high96.3Very high7 Ų741.4 Ų41.44%0.03720%0.199CC..Hα-helixtrans-56.6-32173.9177.763.6000112.3L611 F614 I693 I767 D768 P776 V779L611-L772 HydrophobicContact CB-CD2 4.19Å; F614-L772 HydrophobicContact CD2-CD1 4.15Å; F614-L772 HydrophobicContact CE2-CD1 4.17Å; I693-L772 HydrophobicContact CD1-CD2 4.01Å; I693-L772 HydrophobicContact CG2-CD2 4.25Å; I767-L772 HydrophobicContact CG2-CB 4.2Å; D768-L772 PolarHBondContact O-N 2.93Å; L772-P776 HydrophobicContact CD1-CB 4.25Å; L772-P776 WeakPolarHBondContact O-CB 3.33Å; L772-V779 HydrophobicContact CB-CG1 4.42Å; L772-V779 HydrophobicContact CB-CG2 4.32Å; L772-V779 HydrophobicContact CD1-CB 4.33Å; L772-V779 HydrophobicContact CD1-CG1 4.01Å
773R93.5Very high96.3Very high132 Ų13233.1 Ų33.150%0.49817%0.166SC..Hα-helixtrans-78.3-36.4178179-179.3172.7-173.9-4112.7G769 Q770 Q771 F807 W808G769-R773 WeakPolarHBondContact O-CB 3.45Å; G769-R773 PolarHBondContact O-N 3.24Å; Q770-R773 WeakPolarHBondContact O-CB 3.31Å; Q770-R773 PolarHBondContact O-N 3.38Å; Q770-R773 VanDerWaalsContact O-N 3.14Å; Q771-R773 PolarHBondContact O-N 3.11Å; Q771-R773 VanDerWaalsContact O-N 3.13Å; R773-F807 HydrophobicContact CG-CD1 4.17Å; R773-F807 HydrophobicContact CG-CE1 4.08Å; R773-W808 VanDerWaalsContact O-CD1 3.26Å
774T94.5Very high96.3Very high78 Ų7832.3 Ų32.348%0.47916%0.163SC..Hα-helixtrans-95.5-34.6-172.954.30000113.4Q770 Q771 W808Q770-T774 PolarHBondContact O-N 3.02Å; Q770-T774 PolarHBondContact O-OG1 2.89Å; Q770-T774 VanDerWaalsContact O-OG1 3.1Å; Q771-T774 PolarHBondContact O-N 2.75Å; Q771-T774 VanDerWaalsContact O-N 3.09Å; Q771-T774 PolarHBondContact O-OG1 3.11Å; T774-W808 PolarHBondContact O-NE1 2.75Å
775D95.6Very high96.2Very high52 Ų5238.8 Ų38.828%0.27819%0.19SC..  trans-145.572.8-176.6178.712.7000109.9Q771 S777 T778Q771-D775 CarbonylContact O-C 3.44Å; Q771-D775 WeakPolarHBondContact O-CA 3.49Å; Q771-D775 PolarHBondContact O-N 3.13Å; D775-S777 VanDerWaalsContact C-N 3.26Å; D775-S777 PolarHBondContact O-N 3.23Å; D775-S777 PolarHBondContact OD1-OG 3.08Å; D775-T778 VanDerWaalsContact CG-OG1 3.29Å; D775-T778 PolarHBondContact OD1-N 3.12Å; D775-T778 PolarHBondContact OD1-OG1 3.22Å; D775-T778 VanDerWaalsContact OD2-CB 3.31Å; D775-T778 WeakPolarHBondContact OD2-CB 3.41Å; D775-T778 PolarHBondContact OD2-OG1 2.99Å
776P96.6Very high96.2Very high0 Ų039.7 Ų39.70%019%0.193CC..Hα-helixtrans-65.1-27.9-179.326.2-34.7000113.1F614 L772 V779 M780 L799 W808F614-P776 HydrophobicContact CD2-CB 4.1Å; F614-P776 HydrophobicContact CE2-CB 3.6Å; F614-P776 HydrophobicContact CE2-CG 4.36Å; F614-P776 HydrophobicContact CZ-CB 4.3Å; L772-P776 HydrophobicContact CD1-CB 4.25Å; L772-P776 WeakPolarHBondContact O-CB 3.33Å; P776-V779 PolarHBondContact O-N 3.24Å; P776-M780 WeakPolarHBondContact O-CB 3.39Å; P776-M780 VanDerWaalsContact O-CG 3.27Å; P776-M780 WeakPolarHBondContact O-CG 3.27Å; P776-M780 PolarHBondContact O-N 3.48Å; P776-L799 HydrophobicContact CB-CD1 3.82Å; P776-L799 HydrophobicContact CG-CD1 3.72Å; P776-W808 VanDerWaalsContact CD-CD1 3.48Å; P776-W808 HydrophobicContact CG-CB 3.71Å; P776-W808 HydrophobicContact CG-CD2 3.68Å; P776-W808 HydrophobicContact CG-CE3 4.13Å; P776-W808 HydrophobicContact CG-CG 3.48Å; P776-W808 VanDerWaalsContact CG-CG 3.48Å
777S96.9Very high96.1Very high12 Ų1239 Ų398%0.08419%0.19CC..Hα-helixtrans-54.7-53.7177.621.70000112.1D775 V779 M780 D781 S796D775-S777 VanDerWaalsContact C-N 3.26Å; D775-S777 PolarHBondContact O-N 3.23Å; D775-S777 PolarHBondContact OD1-OG 3.08Å; S777-V779 VanDerWaalsContact C-N 3.33Å; S777-V779 PolarHBondContact O-N 3.48Å; S777-M780 PolarHBondContact O-N 3.07Å; S777-M780 VanDerWaalsContact O-N 3.17Å; S777-D781 PolarHBondContact O-N 2.85Å; S777-S796 WeakPolarHBondContact CB-OG 3.37Å
778T96.4Very high96Very high52 Ų5241.3 Ų41.332%0.31922%0.215SC..Hα-helixtrans-60.7-42179.2-59.90000112D775 M780 D781 E782D775-T778 VanDerWaalsContact CG-OG1 3.29Å; D775-T778 PolarHBondContact OD1-N 3.12Å; D775-T778 PolarHBondContact OD1-OG1 3.22Å; D775-T778 VanDerWaalsContact OD2-CB 3.31Å; D775-T778 WeakPolarHBondContact OD2-CB 3.41Å; D775-T778 PolarHBondContact OD2-OG1 2.99Å; T778-M780 PolarHBondContact O-N 3.38Å; T778-D781 PolarHBondContact O-N 3.2Å; T778-E782 PolarHBondContact O-N 3.06Å; T778-E782 VanDerWaalsContact O-N 3.1Å
779V97Very high95.8Very high1 Ų140.5 Ų40.51%0.00621%0.21CC..Hα-helixtrans-63.9-42177174.80000111.2I767 Q771 L772 P776 S777 D781 E782 V783I767-V779 HydrophobicContact CB-CG1 4.49Å; I767-V779 HydrophobicContact CD1-CG1 4.03Å; I767-V779 HydrophobicContact CG1-CG1 4.21Å; I767-V779 HydrophobicContact CG2-CG1 3.51Å; I767-V779 HydrophobicContact CG2-CG2 4.47Å; Q771-V779 HydrophobicContact CB-CG2 4Å; Q771-V779 HydrophobicContact CG-CG2 3.78Å; L772-V779 HydrophobicContact CB-CG1 4.42Å; L772-V779 HydrophobicContact CB-CG2 4.32Å; L772-V779 HydrophobicContact CD1-CB 4.33Å; L772-V779 HydrophobicContact CD1-CG1 4.01Å; P776-V779 PolarHBondContact O-N 3.24Å; S777-V779 VanDerWaalsContact C-N 3.33Å; S777-V779 PolarHBondContact O-N 3.48Å; V779-D781 VanDerWaalsContact C-N 3.32Å; V779-D781 PolarHBondContact O-N 3.05Å; V779-E782 WeakPolarHBondContact O-CB 3.36Å; V779-E782 PolarHBondContact O-N 3.47Å; V779-V783 HydrophobicContact CG1-CG2 4.4Å; V779-V783 VanDerWaalsContact O-CG2 3.28Å; V779-V783 WeakPolarHBondContact O-CG2 3.35Å; V779-V783 PolarHBondContact O-N 3.48Å
780M98.1Very high95.5Very high0 Ų044.2 Ų44.20%024%0.236CC..Hα-helixtrans-67.2-33.6178.4-69.3-51.6-63.200111.9L611 F614 L615 P776 S777 T778 V783 Q784 Y795L611-M780 HydrophobicContact CD1-CE 4.44Å; L611-M780 HydrophobicContact CD1-SD 3.55Å; L611-M780 VanDerWaalsContact CD1-SD 3.55Å; F614-M780 HydrophobicContact CB-CE 3.88Å; F614-M780 HydrophobicContact CB-CG 4.06Å; F614-M780 HydrophobicContact CB-SD 3.69Å; F614-M780 HydrophobicContact CD2-CG 4.43Å; F614-M780 HydrophobicContact CD2-SD 4.36Å; L615-M780 HydrophobicContact CD2-CE 3.94Å; L615-M780 HydrophobicContact CG-CE 4.07Å; P776-M780 WeakPolarHBondContact O-CB 3.39Å; P776-M780 VanDerWaalsContact O-CG 3.27Å; P776-M780 WeakPolarHBondContact O-CG 3.27Å; P776-M780 PolarHBondContact O-N 3.48Å; S777-M780 PolarHBondContact O-N 3.07Å; S777-M780 VanDerWaalsContact O-N 3.17Å; T778-M780 PolarHBondContact O-N 3.38Å; M780-V783 PolarHBondContact O-N 3.45Å; M780-Q784 VanDerWaalsContact O-CG 3.23Å; M780-Q784 WeakPolarHBondContact O-CG 3.48Å; M780-Q784 PolarHBondContact O-N 3Å; M780-Y795 HydrophobicContact CB-CD1 4.05Å; M780-Y795 HydrophobicContact CB-CD2 3.39Å; M780-Y795 HydrophobicContact CB-CE1 4.27Å; M780-Y795 HydrophobicContact CB-CE2 3.66Å; M780-Y795 HydrophobicContact CB-CG 3.59Å; M780-Y795 HydrophobicContact CE-CE1 3.85Å; M780-Y795 HydrophobicContact CE-CE2 3.99Å; M780-Y795 VanDerWaalsContact CE-CZ 3.45Å; M780-Y795 VanDerWaalsContact CE-OH 3.29Å; M780-Y795 WeakPolarHBondContact CE-OH 2.99Å; M780-Y795 HydrophobicContact CG-CD1 3.93Å; M780-Y795 HydrophobicContact CG-CD2 4.18Å; M780-Y795 HydrophobicContact CG-CE1 4.04Å; M780-Y795 HydrophobicContact CG-CE2 4.29Å; M780-Y795 HydrophobicContact CG-CG 3.98Å
781D97.1Very high95.4Very high54 Ų5444.7 Ų44.729%0.28925%0.245SC..Hα-helixtrans-63.9-40.6171.8-75.5-14.7000112.7S777 T778 V779 Q784 K785S777-D781 PolarHBondContact O-N 2.85Å; T778-D781 PolarHBondContact O-N 3.2Å; V779-D781 VanDerWaalsContact C-N 3.32Å; V779-D781 PolarHBondContact O-N 3.05Å; D781-Q784 PolarHBondContact O-N 3.27Å; D781-Q784 PolarHBondContact OD1-NE2 3.15Å; D781-K785 VanDerWaalsContact O-CG 3.31Å; D781-K785 WeakPolarHBondContact O-CG 3.34Å; D781-K785 PolarHBondContact O-N 2.98Å
782E96.5Very high95.3Very high81 Ų8147 Ų4738%0.37926%0.256SS..Hα-helixtrans-63.1-43.6172.7-70178.3-178.400111.7T778 V779 Q784 K785 F786T778-E782 PolarHBondContact O-N 3.06Å; T778-E782 VanDerWaalsContact O-N 3.1Å; V779-E782 WeakPolarHBondContact O-CB 3.36Å; V779-E782 PolarHBondContact O-N 3.47Å; E782-Q784 VanDerWaalsContact C-N 3.35Å; E782-Q784 PolarHBondContact O-N 2.83Å; E782-K785 PolarHBondContact O-N 2.82Å; E782-F786 VanDerWaalsContact O-CB 3.28Å; E782-F786 WeakPolarHBondContact O-CB 3.47Å; E782-F786 PolarHBondContact O-N 3.35Å
783V97.9Very high95.2Very high1 Ų149.8 Ų49.81%0.00627%0.266CS..Hα-helixtrans-60.8-44.3176.4170.70000110.8L611 L615 I691 L765 I767 V779 M780 F786 L787L611-V783 HydrophobicContact CD1-CG2 4.34Å; L615-V783 HydrophobicContact CD2-CG1 3.78Å; I691-V783 HydrophobicContact CD1-CG1 4.13Å; L765-V783 HydrophobicContact CD2-CB 4.47Å; L765-V783 HydrophobicContact CD2-CG2 3.79Å; I767-V783 HydrophobicContact CD1-CG2 3.7Å; V779-V783 HydrophobicContact CG1-CG2 4.4Å; V779-V783 VanDerWaalsContact O-CG2 3.28Å; V779-V783 WeakPolarHBondContact O-CG2 3.35Å; V779-V783 PolarHBondContact O-N 3.48Å; M780-V783 PolarHBondContact O-N 3.45Å; V783-F786 PolarHBondContact O-N 3.41Å; V783-L787 HydrophobicContact CG1-CD1 3.84Å; V783-L787 HydrophobicContact CG1-CG 4.28Å; V783-L787 WeakPolarHBondContact O-CB 3.42Å; V783-L787 VanDerWaalsContact O-CG 3.25Å; V783-L787 WeakPolarHBondContact O-CG 3.31Å; V783-L787 PolarHBondContact O-N 3.27Å
784Q97Very high95.3Very high1 Ų146.9 Ų46.91%0.00526%0.261CS..Hα-helixtrans-61-47.4177.6-72.1-179.1106.200111.9H618 M780 D781 E782 F786 L787 G788 V789 Y793 Y795H618-Q784 PolarHBondContact CD2-OE1 3.46Å; H618-Q784 VanDerWaalsContact CD2-OE1 3.23Å; H618-Q784 PolarHBondContact NE2-OE1 3.34Å; M780-Q784 VanDerWaalsContact O-CG 3.23Å; M780-Q784 WeakPolarHBondContact O-CG 3.48Å; M780-Q784 PolarHBondContact O-N 3Å; D781-Q784 PolarHBondContact O-N 3.27Å; D781-Q784 PolarHBondContact OD1-NE2 3.15Å; E782-Q784 VanDerWaalsContact C-N 3.35Å; E782-Q784 PolarHBondContact O-N 2.83Å; Q784-F786 PolarHBondContact O-N 2.84Å; Q784-L787 PolarHBondContact O-N 2.75Å; Q784-G788 PolarHBondContact O-N 2.95Å; Q784-V789 HydrophobicContact CB-CG1 3.9Å; Q784-V789 HydrophobicContact CG-CG1 3.91Å; Q784-V789 PolarHBondContact O-N 2.62Å; Q784-Y793 PolarHBondContact NE2-O 2.79Å; Q784-Y793 PolarHBondContact OE1-O 3.26Å; Q784-Y795 HydrophobicContact CG-CE2 4.25Å
785K96.6Very high95.4Very high147 Ų14743.2 Ų43.264%0.63924%0.238SC*.Hα-helixtrans-60.7-45.8176-70.9171.8-173.1171.20111.6D781 E782 L787 G788D781-K785 VanDerWaalsContact O-CG 3.31Å; D781-K785 WeakPolarHBondContact O-CG 3.34Å; D781-K785 PolarHBondContact O-N 2.98Å; E782-K785 PolarHBondContact O-N 2.82Å; K785-L787 VanDerWaalsContact C-N 3.33Å; K785-L787 PolarHBondContact O-N 3.36Å; K785-G788 PolarHBondContact O-N 2.9Å
786F97.2Very high95.3Very high35 Ų3544.2 Ų44.215%0.15425%0.249CC..Hα-helixtrans-61.9-41.5178171.7-110000111.5K689 I691 Y762 L765 E782 V783 Q784 G788K689-F786 HydrophobicContact CB-CE1 3.59Å; K689-F786 HydrophobicContact CB-CZ 3.72Å; K689-F786 HydrophobicContact CD-CD1 4.26Å; K689-F786 HydrophobicContact CD-CE1 3.95Å; K689-F786 HydrophobicContact CD-CE2 4.44Å; K689-F786 HydrophobicContact CD-CZ 4.04Å; K689-F786 WeakPolarHBondContact CD-O 3.47Å; K689-F786 VanDerWaalsContact CE-O 3.29Å; K689-F786 WeakPolarHBondContact CE-O 3.32Å; K689-F786 HydrophobicContact CG-CE1 4.1Å; K689-F786 HydrophobicContact CG-CZ 3.95Å; K689-F786 PolarHBondContact NZ-O 3.4Å; I691-F786 HydrophobicContact CD1-CD1 4.39Å; I691-F786 HydrophobicContact CD1-CE1 4.4Å; I691-F786 HydrophobicContact CG1-CD1 4.26Å; I691-F786 HydrophobicContact CG1-CE1 3.86Å; Y762-F786 WeakPolarHBondContact O-CE2 3.43Å; L765-F786 HydrophobicContact CB-CD1 3.62Å; L765-F786 HydrophobicContact CB-CD2 4.04Å; L765-F786 HydrophobicContact CB-CE1 3.53Å; L765-F786 HydrophobicContact CB-CE2 3.99Å; L765-F786 HydrophobicContact CB-CG 3.85Å; L765-F786 HydrophobicContact CB-CZ 3.73Å; L765-F786 HydrophobicContact CD1-CB 4.47Å; L765-F786 HydrophobicContact CD1-CG 4.41Å; L765-F786 HydrophobicContact CD2-CB 3.93Å; L765-F786 HydrophobicContact CD2-CD1 3.71Å; L765-F786 HydrophobicContact CD2-CE1 4.4Å; L765-F786 HydrophobicContact CD2-CG 3.91Å; L765-F786 HydrophobicContact CG-CD1 4.23Å; L765-F786 HydrophobicContact CG-CG 4.27Å; E782-F786 VanDerWaalsContact O-CB 3.28Å; E782-F786 WeakPolarHBondContact O-CB 3.47Å; E782-F786 PolarHBondContact O-N 3.35Å; V783-F786 PolarHBondContact O-N 3.41Å; Q784-F786 PolarHBondContact O-N 2.84Å; F786-G788 VanDerWaalsContact C-N 3.33Å
787L96.4Very high95.2Very high4 Ų451.1 Ų51.12%0.02128%0.281CS..Hα-helixtrans-72.3-27.4177.1-68.3178.6000112.5F598 L615 I621 K689 I691 V783 Q784 K785 V789F598-L787 HydrophobicContact CB-CD2 3.89Å; F598-L787 HydrophobicContact CD1-CD1 4.17Å; F598-L787 HydrophobicContact CD1-CD2 3.59Å; F598-L787 HydrophobicContact CD2-CD2 4Å; F598-L787 HydrophobicContact CE1-CD1 3.68Å; F598-L787 HydrophobicContact CE1-CD2 4.01Å; F598-L787 HydrophobicContact CE1-CG 4.5Å; F598-L787 HydrophobicContact CE2-CD1 4.13Å; F598-L787 HydrophobicContact CE2-CD2 4.4Å; F598-L787 HydrophobicContact CG-CD2 3.58Å; F598-L787 HydrophobicContact CZ-CD1 3.67Å; F598-L787 HydrophobicContact CZ-CD2 4.4Å; L615-L787 HydrophobicContact CD2-CD1 4.31Å; I621-L787 HydrophobicContact CD1-CD1 4.06Å; K689-L787 HydrophobicContact CB-CD2 4.33Å; K689-L787 HydrophobicContact CD-CD2 4.02Å; K689-L787 PolarHBondContact NZ-O 2.96Å; I691-L787 HydrophobicContact CD1-CD2 4.32Å; V783-L787 HydrophobicContact CG1-CD1 3.84Å; V783-L787 HydrophobicContact CG1-CG 4.28Å; V783-L787 WeakPolarHBondContact O-CB 3.42Å; V783-L787 VanDerWaalsContact O-CG 3.25Å; V783-L787 WeakPolarHBondContact O-CG 3.31Å; V783-L787 PolarHBondContact O-N 3.27Å; Q784-L787 PolarHBondContact O-N 2.75Å; K785-L787 VanDerWaalsContact C-N 3.33Å; K785-L787 PolarHBondContact O-N 3.36Å; L787-V789 VanDerWaalsContact C-N 3.32Å
788G94.6Very high95Very high51 Ų5151 Ų5153%0.52628%0.282SS..THydrogen-bonded Turntrans70.132.3-173.800000111.7Q784 K785 F786Q784-G788 PolarHBondContact O-N 2.95Å; K785-G788 PolarHBondContact O-N 2.9Å; F786-G788 VanDerWaalsContact C-N 3.33Å
789V92Very high95Very high2 Ų248.9 Ų48.91%0.01227%0.268CS..  trans-79.5142.4-179.968.20000110.3H618 I621 F663 Q784 L787 H792H618-V789 VanDerWaalsContact CE1-CG2 3.46Å; H618-V789 WeakPolarHBondContact CE1-CG2 3.23Å; I621-V789 HydrophobicContact CG1-CG2 4.27Å; F663-V789 HydrophobicContact CD2-CB 4.48Å; F663-V789 HydrophobicContact CD2-CG2 3.94Å; F663-V789 HydrophobicContact CE2-CB 4.4Å; F663-V789 HydrophobicContact CE2-CG2 4.15Å; Q784-V789 HydrophobicContact CB-CG1 3.9Å; Q784-V789 HydrophobicContact CG-CG1 3.91Å; Q784-V789 PolarHBondContact O-N 2.62Å; L787-V789 VanDerWaalsContact C-N 3.32Å; V789-H792 PolarHBondContact O-CD2 3.25Å
790S88.1Confident94.8Very high84 Ų8451 Ų5159%0.58728%0.281SS*.SBendtrans-142.7141.7178.5-178.20000110.2
791P90.7Very high94.6Very high88 Ų8856.3 Ų56.357%0.57130%0.304SS*.SBendcis-70.5159-5.231.9-36000112H618H618-P791 PolarHBondContact CE1-O 3.01Å; H618-P791 PolarHBondContact NE2-O 2.97Å
792H92.3Very high94.4Very high104 Ų10455 Ų5548%0.48130%0.298SS..PPolyproline II helixtrans-70.7139.8173-79.9-138.7000110.9V789V789-H792 PolarHBondContact O-CD2 3.25Å
793Y94.7Very high94Very high67 Ų6755.8 Ų55.826%0.26331%0.312SS..PPolyproline II helixtrans-93.2132.1172.1-171.8-102000110.9M617 H618 Q784 Y795 A798M617-Y793 HydrophobicContact CB-CE1 3.98Å; M617-Y793 HydrophobicContact CE-CE1 4Å; H618-Y793 VanDerWaalsContact CD2-CB 3.42Å; H618-Y793 WeakPolarHBondContact CD2-CB 3.47Å; Q784-Y793 PolarHBondContact NE2-O 2.79Å; Q784-Y793 PolarHBondContact OE1-O 3.26Å; Y793-Y795 AromaticContact CD1-CD1 3.9Å; Y793-Y795 HydrophobicContact CD1-CD1 3.9Å; Y793-Y795 AromaticContact CD1-CD2 3.87Å; Y793-Y795 HydrophobicContact CD1-CD2 3.87Å; Y793-Y795 AromaticContact CD1-CE1 3.71Å; Y793-Y795 HydrophobicContact CD1-CE1 3.71Å; Y793-Y795 AromaticContact CD1-CE2 3.68Å; Y793-Y795 HydrophobicContact CD1-CE2 3.68Å; Y793-Y795 AromaticContact CD1-CG 3.98Å; Y793-Y795 HydrophobicContact CD1-CG 3.98Å; Y793-Y795 AromaticContact CD1-CZ 3.61Å; Y793-Y795 HydrophobicContact CE1-CD1 4.08Å; Y793-Y795 HydrophobicContact CE1-CE1 4.02Å; Y793-Y795 HydrophobicContact CE1-CG 4.48Å; Y793-Y795 HydrophobicContact CG-CE2 4.33Å; Y793-Y795 VanDerWaalsContact O-CD2 3.3Å; Y793-Y795 WeakPolarHBondContact O-CD2 3.1Å; Y793-Y795 PolarHBondContact O-N 3.12Å; Y793-A798 HydrophobicContact CE1-CB 3.48Å; Y793-A798 VanDerWaalsContact CE1-CB 3.48Å; Y793-A798 VanDerWaalsContact OH-CB 3.31Å; Y793-A798 WeakPolarHBondContact OH-CB 3.41Å
794N95.5Very high93.5Very high71 Ų7163.6 Ų63.638%0.3835%0.348SS..  trans-84.493.8-179.1-171.6-7.3000111.1S796 E797 A798N794-S796 VanDerWaalsContact C-N 3.28Å; N794-S796 PolarHBondContact O-N 3.16Å; N794-S796 WeakPolarHBondContact OD1-CB 3.46Å; N794-S796 PolarHBondContact OD1-N 2.98Å; N794-E797 WeakPolarHBondContact ND2-CG 3.24Å; N794-E797 PolarHBondContact ND2-OE1 2.89Å; N794-E797 PolarHBondContact ND2-OE2 3.11Å; N794-E797 PolarHBondContact O-N 3.35Å; N794-A798 PolarHBondContact O-N 2.95Å
795Y96.2Very high93.1Very high0 Ų065.7 Ų65.70%036%0.357CS..Hα-helixtrans-70.9-22.1179.7-73.4-85.3000113.8F614 M617 M780 Q784 Y793 E797 A798 L799F614-Y795 HydrophobicContact CB-CE1 4.13Å; F614-Y795 VanDerWaalsContact O-CE1 3.27Å; F614-Y795 WeakPolarHBondContact O-CE1 3.34Å; F614-Y795 PolarHBondContact O-OH 2.81Å; F614-Y795 VanDerWaalsContact O-OH 3.08Å; M617-Y795 HydrophobicContact CB-CE1 4.31Å; M780-Y795 HydrophobicContact CB-CD1 4.05Å; M780-Y795 HydrophobicContact CB-CD2 3.39Å; M780-Y795 HydrophobicContact CB-CE1 4.27Å; M780-Y795 HydrophobicContact CB-CE2 3.66Å; M780-Y795 HydrophobicContact CB-CG 3.59Å; M780-Y795 HydrophobicContact CE-CE1 3.85Å; M780-Y795 HydrophobicContact CE-CE2 3.99Å; M780-Y795 VanDerWaalsContact CE-CZ 3.45Å; M780-Y795 VanDerWaalsContact CE-OH 3.29Å; M780-Y795 WeakPolarHBondContact CE-OH 2.99Å; M780-Y795 HydrophobicContact CG-CD1 3.93Å; M780-Y795 HydrophobicContact CG-CD2 4.18Å; M780-Y795 HydrophobicContact CG-CE1 4.04Å; M780-Y795 HydrophobicContact CG-CE2 4.29Å; M780-Y795 HydrophobicContact CG-CG 3.98Å; Q784-Y795 HydrophobicContact CG-CE2 4.25Å; Y793-Y795 AromaticContact CD1-CD1 3.9Å; Y793-Y795 HydrophobicContact CD1-CD1 3.9Å; Y793-Y795 AromaticContact CD1-CD2 3.87Å; Y793-Y795 HydrophobicContact CD1-CD2 3.87Å; Y793-Y795 AromaticContact CD1-CE1 3.71Å; Y793-Y795 HydrophobicContact CD1-CE1 3.71Å; Y793-Y795 AromaticContact CD1-CE2 3.68Å; Y793-Y795 HydrophobicContact CD1-CE2 3.68Å; Y793-Y795 AromaticContact CD1-CG 3.98Å; Y793-Y795 HydrophobicContact CD1-CG 3.98Å; Y793-Y795 AromaticContact CD1-CZ 3.61Å; Y793-Y795 HydrophobicContact CE1-CD1 4.08Å; Y793-Y795 HydrophobicContact CE1-CE1 4.02Å; Y793-Y795 HydrophobicContact CE1-CG 4.48Å; Y793-Y795 HydrophobicContact CG-CE2 4.33Å; Y793-Y795 VanDerWaalsContact O-CD2 3.3Å; Y793-Y795 WeakPolarHBondContact O-CD2 3.1Å; Y793-Y795 PolarHBondContact O-N 3.12Å; Y795-E797 VanDerWaalsContact C-N 3.25Å; Y795-E797 PolarHBondContact O-N 2.72Å; Y795-A798 PolarHBondContact O-N 3.44Å; Y795-L799 HydrophobicContact CD1-CD1 4.06Å; Y795-L799 HydrophobicContact CD1-CG 4.29Å; Y795-L799 WeakPolarHBondContact O-CB 3.33Å; Y795-L799 WeakPolarHBondContact O-CG 3.49Å; Y795-L799 PolarHBondContact O-N 3.19Å
796S94.4Very high92.8Very high73 Ų7360.1 Ų60.151%0.5134%0.341SS..Hα-helixtrans-67.2-28.1178.4-55.80000112.5S777 N794S777-S796 WeakPolarHBondContact CB-OG 3.37Å; N794-S796 VanDerWaalsContact C-N 3.28Å; N794-S796 PolarHBondContact O-N 3.16Å; N794-S796 WeakPolarHBondContact OD1-CB 3.46Å; N794-S796 PolarHBondContact OD1-N 2.98Å
797E92.8Very high92.6Very high145 Ų14561.1 Ų61.168%0.67835%0.346SS*.Hα-helixtrans-90.8-23174.8-70.5172.2-169.500112.4N794 Y795 L811N794-E797 WeakPolarHBondContact ND2-CG 3.24Å; N794-E797 PolarHBondContact ND2-OE1 2.89Å; N794-E797 PolarHBondContact ND2-OE2 3.11Å; N794-E797 PolarHBondContact O-N 3.35Å; Y795-E797 VanDerWaalsContact C-N 3.25Å; Y795-E797 PolarHBondContact O-N 2.72Å; E797-L811 WeakPolarHBondContact O-CD2 3.32Å
798A93.4Very high92.5Very high11 Ų1163.9 Ų63.99%0.09136%0.356CS..Hα-helixtrans-96.4-14.9-174.700000114.2M617 Y793 N794 Y795 L811M617-A798 HydrophobicContact CE-CB 3.5Å; Y793-A798 HydrophobicContact CE1-CB 3.48Å; Y793-A798 VanDerWaalsContact CE1-CB 3.48Å; Y793-A798 VanDerWaalsContact OH-CB 3.31Å; Y793-A798 WeakPolarHBondContact OH-CB 3.41Å; N794-A798 PolarHBondContact O-N 2.95Å; Y795-A798 PolarHBondContact O-N 3.44Å; A798-L811 WeakPolarHBondContact O-CB 3.46Å; A798-L811 PolarHBondContact O-N 2.84Å
799L95.6Very high92.4Very high6 Ų661.5 Ų61.53%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-112.8142.3178.4-61.9179.1000110.6F614 M617 P776 Y795 W808 C809F614-L799 HydrophobicContact CD1-CD1 4.25Å; F614-L799 HydrophobicContact CD1-CD2 3.6Å; F614-L799 HydrophobicContact CD2-CD1 4.41Å; F614-L799 HydrophobicContact CE1-CD1 4.27Å; F614-L799 HydrophobicContact CE1-CD2 3.53Å; F614-L799 HydrophobicContact CE2-CD1 4.44Å; F614-L799 HydrophobicContact CG-CD1 4.32Å; F614-L799 HydrophobicContact CG-CD2 4.42Å; F614-L799 HydrophobicContact CZ-CD1 4.37Å; F614-L799 HydrophobicContact CZ-CD2 4.29Å; M617-L799 HydrophobicContact CE-CD2 3.77Å; M617-L799 HydrophobicContact CE-CG 4.38Å; M617-L799 HydrophobicContact SD-CD2 3.85Å; P776-L799 HydrophobicContact CB-CD1 3.82Å; P776-L799 HydrophobicContact CG-CD1 3.72Å; Y795-L799 HydrophobicContact CD1-CD1 4.06Å; Y795-L799 HydrophobicContact CD1-CG 4.29Å; Y795-L799 WeakPolarHBondContact O-CB 3.33Å; Y795-L799 WeakPolarHBondContact O-CG 3.49Å; Y795-L799 PolarHBondContact O-N 3.19Å; L799-W808 HydrophobicContact CB-CE3 3.87Å; L799-W808 HydrophobicContact CB-CZ3 4.29Å; L799-C809 WeakPolarHBondContact CA-O 3.33Å
800T94.6Very high92.5Very high47 Ų4763.9 Ų63.929%0.28834%0.342SS..EExtended strand (participates in β ladder)trans-138.7150.8174.3-172.50000110.9W808 C809 L811 T817T800-W808 WeakPolarHBondContact O-CA 3.49Å; T800-C809 PolarHBondContact N-O 2.79Å; T800-C809 PolarHBondContact O-N 3.19Å; T800-L811 HydrophobicContact CG2-CB 4.14Å; T800-L811 HydrophobicContact CG2-CD1 3.91Å; T800-T817 HydrophobicContact CG2-CG2 3.56Å
801F93.9Very high92.7Very high110 Ų11063.1 Ų63.148%0.48233%0.331SS..EExtended strand (participates in β ladder)trans-84.4119.5177.5-174.2-96.4000110.9W808F801-W808 HydrophobicContact CB-CD2 4.18Å; F801-W808 HydrophobicContact CB-CE3 4.45Å; F801-W808 HydrophobicContact CB-CZ2 4.43Å; F801-W808 AromaticContact CD2-CD1 3.83Å; F801-W808 HydrophobicContact CD2-CD2 4.48Å; F801-W808 HydrophobicContact CD2-CG 4.22Å; F801-W808 AromaticContact CD2-NE1 3.85Å
802D91.8Very high92.6Very high28 Ų2862.4 Ų62.415%0.1532%0.322CS..EExtended strand (participates in β ladder)trans-94.8113.3177.2-174-60.2000110H804 K805 G806 F807 C809 T817D802-H804 VanDerWaalsContact C-N 3.34Å; D802-H804 PolarHBondContact O-N 3.22Å; D802-H804 WeakPolarHBondContact OD1-CB 3.29Å; D802-H804 PolarHBondContact OD1-N 3.01Å; D802-K805 HydrophobicContact CB-CB 3.96Å; D802-K805 PolarHBondContact O-N 3.36Å; D802-K805 WeakPolarHBondContact OD1-CB 3.36Å; D802-K805 PolarHBondContact OD1-N 3.42Å; D802-G806 WeakPolarHBondContact O-CA 3.48Å; D802-G806 PolarHBondContact O-N 2.74Å; D802-F807 PolarHBondContact N-O 3.12Å; D802-F807 VanDerWaalsContact N-O 3.12Å; D802-C809 HydrophobicContact CB-CB 4.47Å; D802-T817 PolarHBondContact OD2-OG1 3.12Å
803S89.3Confident92.2Very high96 Ų9665.8 Ų65.867%0.67134%0.338SS*.THydrogen-bonded Turntrans-66.9-31.7-176.159.80000113.4
804H87.3Confident91.5Very high165 Ų16570.5 Ų70.576%0.76436%0.363SS*.THydrogen-bonded Turntrans-72.4-40.8177.7-69.5-74.4000111.4D802D802-H804 VanDerWaalsContact C-N 3.34Å; D802-H804 PolarHBondContact O-N 3.22Å; D802-H804 WeakPolarHBondContact OD1-CB 3.29Å; D802-H804 PolarHBondContact OD1-N 3.01Å
805K88Confident90.7Very high46 Ų4669.9 Ų69.920%0.237%0.373CS..THydrogen-bonded Turntrans-73.1-35.9175.2-175.964.5-173.4-171.30111.6D802 F807 C819 L820 G821 K824D802-K805 HydrophobicContact CB-CB 3.96Å; D802-K805 PolarHBondContact O-N 3.36Å; D802-K805 WeakPolarHBondContact OD1-CB 3.36Å; D802-K805 PolarHBondContact OD1-N 3.42Å; K805-F807 VanDerWaalsContact C-N 3.35Å; K805-F807 HydrophobicContact CG-CB 4.12Å; K805-F807 HydrophobicContact CG-CD2 4.21Å; K805-F807 WeakPolarHBondContact O-CD2 3.11Å; K805-C819 HydrophobicContact CD-CB 4.3Å; K805-C819 HydrophobicContact CG-CB 4.1Å; K805-L820 WeakPolarHBondContact CE-O 3.3Å; K805-L820 PolarHBondContact NZ-O 3.27Å; K805-G821 PolarHBondContact NZ-O 2.86Å; K805-K824 WeakPolarHBondContact CE-O 3.38Å; K805-K824 PolarHBondContact NZ-O 3.25Å
806G89.8Confident90.2Very high30 Ų3075.8 Ų75.831%0.30940%0.399SS..THydrogen-bonded Turntrans75.421.5-173.200000113.8D802D802-G806 WeakPolarHBondContact O-CA 3.48Å; D802-G806 PolarHBondContact O-N 2.74Å
807F92.7Very high89.9Confident56 Ų5674.9 Ų74.925%0.24639%0.39CS..EExtended strand (participates in β ladder)trans-145.7160.1-178.9-67.7-86.2000110.3R773 D802 K805 C809 G825R773-F807 HydrophobicContact CG-CD1 4.17Å; R773-F807 HydrophobicContact CG-CE1 4.08Å; D802-F807 PolarHBondContact N-O 3.12Å; D802-F807 VanDerWaalsContact N-O 3.12Å; K805-F807 VanDerWaalsContact C-N 3.35Å; K805-F807 HydrophobicContact CG-CB 4.12Å; K805-F807 HydrophobicContact CG-CD2 4.21Å; K805-F807 WeakPolarHBondContact O-CD2 3.11Å; F807-C809 PolarHBondContact O-SG 2.9Å; F807-G825 VanDerWaalsContact CE2-CA 3.46Å
808W94.5Very high89.9Confident61 Ų6173.9 Ų73.923%0.23138%0.384CS..EExtended strand (participates in β ladder)trans-68.1139.8170.3-70.886.3000112F614 R773 T774 P776 L799 T800 F801F614-W808 HydrophobicContact CZ-CB 4.45Å; R773-W808 VanDerWaalsContact O-CD1 3.26Å; T774-W808 PolarHBondContact O-NE1 2.75Å; P776-W808 VanDerWaalsContact CD-CD1 3.48Å; P776-W808 HydrophobicContact CG-CB 3.71Å; P776-W808 HydrophobicContact CG-CD2 3.68Å; P776-W808 HydrophobicContact CG-CE3 4.13Å; P776-W808 HydrophobicContact CG-CG 3.48Å; P776-W808 VanDerWaalsContact CG-CG 3.48Å; L799-W808 HydrophobicContact CB-CE3 3.87Å; L799-W808 HydrophobicContact CB-CZ3 4.29Å; T800-W808 WeakPolarHBondContact O-CA 3.49Å; F801-W808 HydrophobicContact CB-CD2 4.18Å; F801-W808 HydrophobicContact CB-CE3 4.45Å; F801-W808 HydrophobicContact CB-CZ2 4.43Å; F801-W808 AromaticContact CD2-CD1 3.83Å; F801-W808 HydrophobicContact CD2-CD2 4.48Å; F801-W808 HydrophobicContact CD2-CG 4.22Å; F801-W808 AromaticContact CD2-NE1 3.85Å
809C93.8Very high89.8Confident2 Ų275.3 Ų75.31%0.01439%0.393CS..EExtended strand (participates in β ladder)trans-133.8160.7-177.2-57.20000110.2L799 T800 D802 F807 L811 C819L799-C809 WeakPolarHBondContact CA-O 3.33Å; T800-C809 PolarHBondContact N-O 2.79Å; T800-C809 PolarHBondContact O-N 3.19Å; D802-C809 HydrophobicContact CB-CB 4.47Å; F807-C809 PolarHBondContact O-SG 2.9Å; C809-L811 PolarHBondContact O-N 3.08Å; C809-C819 HydrophobicContact CB-CB 3.96Å; C809-C819 WeakPolarHBondContact CB-SG 3.45Å; C809-C819 WeakPolarHBondContact SG-CA 3.32Å; C809-C819 WeakPolarHBondContact SG-CB 3.5Å; C809-C819 CovalentContact SG-SG 2.03Å; C809-C819 PolarHBondContact SG-SG 3.04Å
810Q93.6Very high89.5Confident51 Ų5176.5 Ų76.524%0.23840%0.399CS..EExtended strand (participates in β ladder)trans-69.3131.4172.1171.917820.700109.4M617 L812 T817 K818M617-Q810 HydrophobicContact CE-CB 4.2Å; M617-Q810 HydrophobicContact CE-CG 3.84Å; M617-Q810 HydrophobicContact SD-CB 3.98Å; M617-Q810 HydrophobicContact SD-CG 4.04Å; Q810-L812 HydrophobicContact CG-CD2 4.19Å; Q810-T817 CarbonylContact O-C 3.59Å; Q810-T817 WeakPolarHBondContact O-CA 3.34Å; Q810-K818 HydrophobicContact CB-CB 4.21Å; Q810-K818 PolarHBondContact N-O 3.4Å; Q810-K818 VanDerWaalsContact N-O 3.13Å; Q810-K818 PolarHBondContact O-N 3.46Å
811L92.4Very high89.1Confident68 Ų6876.5 Ų76.536%0.35641%0.408SS..EExtended strand (participates in β ladder)trans-78.8130.4170.4-175.364.3000109.2E797 A798 T800 C809E797-L811 WeakPolarHBondContact O-CD2 3.32Å; A798-L811 WeakPolarHBondContact O-CB 3.46Å; A798-L811 PolarHBondContact O-N 2.84Å; T800-L811 HydrophobicContact CG2-CB 4.14Å; T800-L811 HydrophobicContact CG2-CD1 3.91Å; C809-L811 PolarHBondContact O-N 3.08Å
812L88.9Confident88.7Confident73 Ų7381.1 Ų81.138%0.38243%0.428SS..  trans-108.9172.1173.3-58.4-179.3000110.3Q810 G815 K816 K818Q810-L812 HydrophobicContact CG-CD2 4.19Å; L812-G815 PolarHBondContact O-N 3.47Å; L812-K816 HydrophobicContact CB-CB 4.25Å; L812-K816 WeakPolarHBondContact CB-O 3.28Å; L812-K816 PolarHBondContact N-O 2.99Å; L812-K818 HydrophobicContact CD1-CB 3.97Å; L812-K818 HydrophobicContact CD2-CB 4.23Å; L812-K818 HydrophobicContact CG-CB 4.07Å
813E83.8Confident88.2Confident175 Ų17582.5 Ų82.582%0.81844%0.44SS*.G310 helixtrans-53.7149.9170.8-64.1178.5-178.300111.5G815E813-G815 PolarHBondContact O-N 2.84Å
814E79.3Confident88.2Confident167 Ų16781 Ų8178%0.7842%0.421SS*.G310 helixtrans63.116.8-178.1-48.6173.7158.700115K816E814-K816 VanDerWaalsContact C-N 3.32Å; E814-K816 PolarHBondContact O-N 3.27Å; E814-K816 IonicContact OE2-NZ 2.64Å; E814-K816 PolarHBondContact OE2-NZ 3.26Å
815G78.4Confident87.9Confident58 Ų5875 Ų7560%0.59840%0.403SS*.G310 helixtrans7910.6176.400000114.8L812 E813L812-G815 PolarHBondContact O-N 3.47Å; E813-G815 PolarHBondContact O-N 2.84Å
816K86.2Confident87.7Confident123 Ų12375.8 Ų75.854%0.53541%0.405SS..  trans-73149.4174.6-70.4167.8-179149.80110.6L812 E814L812-K816 HydrophobicContact CB-CB 4.25Å; L812-K816 WeakPolarHBondContact CB-O 3.28Å; L812-K816 PolarHBondContact N-O 2.99Å; E814-K816 VanDerWaalsContact C-N 3.32Å; E814-K816 PolarHBondContact O-N 3.27Å; E814-K816 IonicContact OE2-NZ 2.64Å; E814-K816 PolarHBondContact OE2-NZ 3.26Å
817T89.1Confident87.5Confident54 Ų5483.5 Ų83.533%0.33143%0.43SS..EExtended strand (participates in β ladder)trans-110.6136.7178.759.10000111.7T800 D802 Q810T800-T817 HydrophobicContact CG2-CG2 3.56Å; D802-T817 PolarHBondContact OD2-OG1 3.12Å; Q810-T817 CarbonylContact O-C 3.59Å; Q810-T817 WeakPolarHBondContact O-CA 3.34Å
818K91.1Very high87.4Confident125 Ų12585 Ų8554%0.54344%0.435SS..EExtended strand (participates in β ladder)trans-106.693.8169.9-173.1178.7176.7-172.90109.5Q810 L812Q810-K818 HydrophobicContact CB-CB 4.21Å; Q810-K818 PolarHBondContact N-O 3.4Å; Q810-K818 VanDerWaalsContact N-O 3.13Å; Q810-K818 PolarHBondContact O-N 3.46Å; L812-K818 HydrophobicContact CD1-CB 3.97Å; L812-K818 HydrophobicContact CD2-CB 4.23Å; L812-K818 HydrophobicContact CG-CB 4.07Å
819C91.3Very high87.3Confident41 Ų4186.3 Ų86.328%0.27745%0.451SS..PPolyproline II helixtrans-89.4159.4-179.6-64.90000113.1K805 C809K805-C819 HydrophobicContact CD-CB 4.3Å; K805-C819 HydrophobicContact CG-CB 4.1Å; C809-C819 HydrophobicContact CB-CB 3.96Å; C809-C819 WeakPolarHBondContact CB-SG 3.45Å; C809-C819 WeakPolarHBondContact SG-CA 3.32Å; C809-C819 WeakPolarHBondContact SG-CB 3.5Å; C809-C819 CovalentContact SG-SG 2.03Å; C809-C819 PolarHBondContact SG-SG 3.04Å
820L89.8Confident87.3Confident31 Ų3191.6 Ų91.616%0.16249%0.485CS..PPolyproline II helixtrans-58.5145.3168.5-73.8159.1000111.6T609 A610 L613 K805 K824T609-L820 HydrophobicContact CG2-CD2 3.83Å; A610-L820 HydrophobicContact CB-CD1 3.71Å; L613-L820 HydrophobicContact CD1-CD2 3.2Å; L613-L820 HydrophobicContact CD1-CG 3.76Å; L613-L820 HydrophobicContact CG-CD2 3.85Å; K805-L820 WeakPolarHBondContact CE-O 3.3Å; K805-L820 PolarHBondContact NZ-O 3.27Å; L820-K824 HydrophobicContact CB-CB 3.79Å; L820-K824 HydrophobicContact CB-CG 4.18Å; L820-K824 HydrophobicContact CD1-CB 4.26Å; L820-K824 HydrophobicContact CD2-CG 4.2Å; L820-K824 HydrophobicContact CG-CB 4.45Å
821G86.6Confident87.4Confident47 Ų4790.1 Ų90.149%0.48548%0.479SS..PPolyproline II helixtrans-58.2168.6-179.200000114.9K805 S823 K824K805-G821 PolarHBondContact NZ-O 2.86Å; G821-S823 PolarHBondContact O-N 3.4Å; G821-K824 PolarHBondContact O-N 3.04Å
822K85.2Confident87.5Confident206 Ų20692 Ų9290%0.89649%0.489SS*.THydrogen-bonded Turntrans-56.4-27.4-175.6-65.7-176-179.3179.50113.9K824K822-K824 PolarHBondContact O-N 3.37Å
823S82.2Confident87.8Confident57 Ų5793.5 Ų93.540%0.39951%0.506SS..THydrogen-bonded Turntrans-73.6-4177.467.10000114.2G821 R826G821-S823 PolarHBondContact O-N 3.4Å; S823-R826 VanDerWaalsContact O-CZ 3.25Å; S823-R826 PolarHBondContact O-NH1 3.33Å
824K87.7Confident88.4Confident66 Ų6690.6 Ų90.629%0.28749%0.492SS..SBendtrans-119.9130.5179.4-48.9-67.2175.1165.40108.9T609 E632 K805 L820 G821 K822T609-K824 HydrophobicContact CG2-CD 4.37Å; T609-K824 PolarHBondContact OG1-NZ 3.49Å; E632-K824 IonicContact OE1-NZ 3.84Å; K805-K824 WeakPolarHBondContact CE-O 3.38Å; K805-K824 PolarHBondContact NZ-O 3.25Å; L820-K824 HydrophobicContact CB-CB 3.79Å; L820-K824 HydrophobicContact CB-CG 4.18Å; L820-K824 HydrophobicContact CD1-CB 4.26Å; L820-K824 HydrophobicContact CD2-CG 4.2Å; L820-K824 HydrophobicContact CG-CB 4.45Å; G821-K824 PolarHBondContact O-N 3.04Å; K822-K824 PolarHBondContact O-N 3.37Å
825G82Confident89.2Confident37 Ų3782.7 Ų82.738%0.38146%0.455SS..SBendtrans69.242.7-169.800000112.9F807F807-G825 VanDerWaalsContact CE2-CA 3.46Å
826R84.6Confident90.1Very high64 Ų6483.9 Ų83.924%0.24244%0.442CS..  trans-59.2138.8178-70.7-175.4-174.876.8-2.8109.8S710 S823 Y828S710-R826 VanDerWaalsContact OG-CZ 3.25Å; S710-R826 PolarHBondContact OG-NE 3.16Å; S710-R826 VanDerWaalsContact OG-NE 3.14Å; S710-R826 PolarHBondContact OG-NH2 2.89Å; S823-R826 VanDerWaalsContact O-CZ 3.25Å; S823-R826 PolarHBondContact O-NH1 3.33Å; R826-Y828 HydrophobicContact CB-CD1 3.75Å; R826-Y828 HydrophobicContact CB-CE1 3.98Å; R826-Y828 WeakPolarHBondContact O-CD1 3.48Å; R826-Y828 WeakPolarHBondContact O-CE1 3.48Å
827K84.6Confident90.5Very high191 Ų19181.1 Ų81.183%0.8344%0.442SS*.  trans-83.4117.8168.4-62.9-176.1-179.3-178.10107.7
828Y90.3Very high90.9Very high89 Ų8981.8 Ų81.835%0.34944%0.44SS..  trans-140.5160.1175.243.4-108.3000109.1Y702 S703 Q706 R826Y702-Y828 HydrophobicContact CD1-CD2 4.37Å; Y702-Y828 AromaticContact CD1-CE2 3.95Å; Y702-Y828 HydrophobicContact CD1-CE2 3.95Å; Y702-Y828 AromaticContact CE1-CD2 3.72Å; Y702-Y828 HydrophobicContact CE1-CD2 3.72Å; Y702-Y828 AromaticContact CE1-CE2 3.75Å; Y702-Y828 HydrophobicContact CE1-CE2 3.75Å; S703-Y828 PolarHBondContact OG-OH 3.32Å; Q706-Y828 HydrophobicContact CB-CD1 3.81Å; Q706-Y828 HydrophobicContact CB-CE1 4.02Å; Q706-Y828 HydrophobicContact CB-CG 4.08Å; Q706-Y828 HydrophobicContact CG-CD1 4Å; Q706-Y828 HydrophobicContact CG-CD2 3.83Å; Q706-Y828 HydrophobicContact CG-CE1 4.34Å; Q706-Y828 HydrophobicContact CG-CE2 4.19Å; Q706-Y828 HydrophobicContact CG-CG 3.73Å; R826-Y828 HydrophobicContact CB-CD1 3.75Å; R826-Y828 HydrophobicContact CB-CE1 3.98Å; R826-Y828 WeakPolarHBondContact O-CD1 3.48Å; R826-Y828 WeakPolarHBondContact O-CE1 3.48Å
829P92.2Very high91.2Very high87 Ų8775.8 Ų75.857%0.56541%0.414SS*.PPolyproline II helixtrans-53.2145.6179.9-26.435000111.7Y702Y702-P829 VanDerWaalsContact CE1-O 3.27Å; Y702-P829 WeakPolarHBondContact CE1-O 3.36Å; Y702-P829 PolarHBondContact OH-O 3.35Å
830P93.9Very high91.3Very high114 Ų11475.3 Ų75.374%0.7441%0.411SS*.PPolyproline II helixtrans-58.1151.4172.227.5-33.9000110.2
831M95.8Very high91.6Very high19 Ų1978.1 Ų78.19%0.09443%0.433CS..PPolyproline II helixtrans-66.8134.5176176.6170.752.400110Y702 F721 C835 R836 L839Y702-M831 HydrophobicContact CD1-CB 3.79Å; Y702-M831 HydrophobicContact CD2-CB 4.41Å; Y702-M831 HydrophobicContact CD2-CG 4.48Å; Y702-M831 HydrophobicContact CE1-CB 3.86Å; Y702-M831 HydrophobicContact CE2-CB 4.49Å; Y702-M831 HydrophobicContact CG-CB 4.06Å; Y702-M831 HydrophobicContact CG-CG 4.37Å; Y702-M831 HydrophobicContact CG-SD 4.31Å; F721-M831 HydrophobicContact CD1-CG 4.42Å; F721-M831 HydrophobicContact CD1-SD 4.32Å; F721-M831 HydrophobicContact CE1-CG 4.35Å; F721-M831 HydrophobicContact CE1-SD 3.67Å; M831-C835 HydrophobicContact CG-CB 3.7Å; M831-C835 HydrophobicContact SD-CB 4.05Å; M831-R836 HydrophobicContact CE-CB 3.89Å; M831-R836 HydrophobicContact CE-CG 4.04Å; M831-R836 VanDerWaalsContact CE-NH2 3.25Å; M831-L839 HydrophobicContact SD-CD1 3.89Å
832D95.2Very high92.1Very high109 Ų10979.4 Ų79.458%0.58342%0.424SS*.PPolyproline II helixtrans-57144.9176.9-59.3-38.2000111.7E834 C835 R836D832-E834 VanDerWaalsContact C-N 3.29Å; D832-E834 PolarHBondContact O-N 3.47Å; D832-C835 HydrophobicContact CB-CB 4.43Å; D832-C835 WeakPolarHBondContact O-CB 3.39Å; D832-C835 PolarHBondContact O-N 2.9Å; D832-R836 PolarHBondContact O-N 2.82Å
833S94.9Very high92.7Very high104 Ų10469.6 Ų69.673%0.72738%0.382SS*.Hα-helixtrans-60.3-37.8-178.352.40000112.5R836 A837S833-R836 PolarHBondContact O-N 3.47Å; S833-A837 PolarHBondContact O-N 2.9Å
834E95.5Very high93.2Very high113 Ų11372.9 Ų72.953%0.52839%0.385SS..Hα-helixtrans-64.3-42.8176.5-165.6-174.6-177.700111.8Y722 D832 R836 A837 F838Y722-E834 HydrophobicContact CD2-CG 4.35Å; Y722-E834 HydrophobicContact CE2-CB 4.46Å; Y722-E834 HydrophobicContact CE2-CG 3.67Å; Y722-E834 PolarHBondContact OH-OE1 2.88Å; D832-E834 VanDerWaalsContact C-N 3.29Å; D832-E834 PolarHBondContact O-N 3.47Å; E834-R836 VanDerWaalsContact C-N 3.31Å; E834-R836 PolarHBondContact O-N 2.77Å; E834-A837 PolarHBondContact O-N 3.31Å; E834-F838 WeakPolarHBondContact O-CB 3.32Å; E834-F838 PolarHBondContact O-N 2.9Å
835C97.3Very high93.6Very high1 Ų175.3 Ų75.31%0.00740%0.401CS..Hα-helixtrans-60.3-42.9173.9-69.30000111.3F721 Y722 I725 M831 D832 F838 L839F721-C835 HydrophobicContact CD1-CB 4.05Å; F721-C835 HydrophobicContact CE1-CB 4.34Å; Y722-C835 VanDerWaalsContact CB-SG 3.6Å; I725-C835 HydrophobicContact CD1-CB 3.89Å; M831-C835 HydrophobicContact CG-CB 3.7Å; M831-C835 HydrophobicContact SD-CB 4.05Å; D832-C835 HydrophobicContact CB-CB 4.43Å; D832-C835 WeakPolarHBondContact O-CB 3.39Å; D832-C835 PolarHBondContact O-N 2.9Å; C835-F838 PolarHBondContact O-N 3.36Å; C835-L839 WeakPolarHBondContact O-CB 3.13Å; C835-L839 WeakPolarHBondContact O-CG 3.27Å; C835-L839 PolarHBondContact O-N 3.23Å
836R96Very high94.3Very high83 Ų8376 Ų7631%0.31339%0.394SS..Hα-helixtrans-64.4-44.3178.7-172170.8-70.4-83.3-1.2111.6D696 D699 M831 D832 S833 E834 L839 S840D696-R836 IonicContact OD2-NH1 3.08Å; D699-R836 IonicContact OD1-CZ 2.87Å; D699-R836 IonicContact OD1-NH1 3.97Å; D699-R836 PolarHBondContact OD1-NH1 2.9Å; D699-R836 IonicContact OD1-NH2 3.52Å; D699-R836 PolarHBondContact OD1-NH2 3.15Å; D699-R836 IonicContact OD2-NH1 3.41Å; D699-R836 IonicContact OD2-NH2 2.76Å; M831-R836 HydrophobicContact CE-CB 3.89Å; M831-R836 HydrophobicContact CE-CG 4.04Å; M831-R836 VanDerWaalsContact CE-NH2 3.25Å; D832-R836 PolarHBondContact O-N 2.82Å; S833-R836 PolarHBondContact O-N 3.47Å; E834-R836 VanDerWaalsContact C-N 3.31Å; E834-R836 PolarHBondContact O-N 2.77Å; R836-L839 PolarHBondContact O-N 2.9Å; R836-S840 WeakPolarHBondContact O-CB 3.37Å; R836-S840 PolarHBondContact O-N 2.77Å
837A94.8Very high94.9Very high65 Ų6573.1 Ų73.154%0.53738%0.384SS..Hα-helixtrans-61.9-46177.600000111.6S833 E834 L839 S840 S841S833-A837 PolarHBondContact O-N 2.9Å; E834-A837 PolarHBondContact O-N 3.31Å; A837-L839 PolarHBondContact O-N 3.48Å; A837-S840 PolarHBondContact O-N 2.91Å; A837-S841 PolarHBondContact O-N 3.49Å; A837-S841 VanDerWaalsContact O-N 3.1Å
838F97.1Very high95.4Very high68 Ų6866.1 Ų66.130%0.29836%0.357SS..Hα-helixtrans-58.2-49175.6177-91.7000111.9I725 T726 E834 C835 S841 Y842I725-F838 HydrophobicContact CB-CD1 4.25Å; I725-F838 HydrophobicContact CB-CE1 4.06Å; I725-F838 HydrophobicContact CD1-CD1 3.81Å; I725-F838 HydrophobicContact CD1-CE1 4.47Å; I725-F838 HydrophobicContact CG1-CD1 3.86Å; I725-F838 HydrophobicContact CG1-CE1 4.06Å; I725-F838 WeakPolarHBondContact O-CE1 3.36Å; T726-F838 HydrophobicContact CG2-CD1 4.43Å; T726-F838 HydrophobicContact CG2-CD2 3.98Å; T726-F838 HydrophobicContact CG2-CE1 4.32Å; T726-F838 HydrophobicContact CG2-CE2 3.86Å; T726-F838 HydrophobicContact CG2-CG 4.26Å; T726-F838 HydrophobicContact CG2-CZ 4.03Å; E834-F838 WeakPolarHBondContact O-CB 3.32Å; E834-F838 PolarHBondContact O-N 2.9Å; C835-F838 PolarHBondContact O-N 3.36Å; F838-S841 PolarHBondContact O-N 2.8Å; F838-Y842 WeakPolarHBondContact O-CB 3.35Å; F838-Y842 PolarHBondContact O-N 3.3Å
839L97.4Very high95.7Very high0 Ų066.3 Ų66.30%036%0.361CS..Hα-helixtrans-69.3-36.6-177.2-70170.2000113S698 F721 I725 L743 M831 C835 R836 A837 S841 Y842 Y843S698-L839 WeakPolarHBondContact OG-CB 3.46Å; F721-L839 HydrophobicContact CE1-CD1 3.7Å; F721-L839 HydrophobicContact CZ-CD1 3.87Å; I725-L839 HydrophobicContact CB-CD2 4.22Å; I725-L839 HydrophobicContact CD1-CD1 4.11Å; I725-L839 HydrophobicContact CD1-CD2 4.27Å; I725-L839 HydrophobicContact CD1-CG 3.97Å; I725-L839 HydrophobicContact CG2-CD2 4.13Å; L743-L839 HydrophobicContact CD2-CD2 3.52Å; M831-L839 HydrophobicContact SD-CD1 3.89Å; C835-L839 WeakPolarHBondContact O-CB 3.13Å; C835-L839 WeakPolarHBondContact O-CG 3.27Å; C835-L839 PolarHBondContact O-N 3.23Å; R836-L839 PolarHBondContact O-N 2.9Å; A837-L839 PolarHBondContact O-N 3.48Å; L839-S841 VanDerWaalsContact C-N 3.31Å; L839-S841 PolarHBondContact O-N 2.83Å; L839-Y842 PolarHBondContact O-N 2.8Å; L839-Y843 HydrophobicContact CB-CD2 4.36Å; L839-Y843 HydrophobicContact CD2-CE2 4.05Å; L839-Y843 WeakPolarHBondContact O-CD2 3.12Å; L839-Y843 PolarHBondContact O-N 3.47Å
840S94.8Very high95.9Very high30 Ų3062.2 Ų62.221%0.2133%0.334CS..Hα-helixtrans-61.5-41.9173.8-1730000110.8R836 A837 R844 E868R836-S840 WeakPolarHBondContact O-CB 3.37Å; R836-S840 PolarHBondContact O-N 2.77Å; A837-S840 PolarHBondContact O-N 2.91Å; S840-R844 PolarHBondContact O-N 3.47Å; S840-E868 PolarHBondContact OG-OE2 3.2Å
841S95.3Very high96.1Very high90 Ų9058 Ų5863%0.62931%0.308SS*.Hα-helixtrans-65.9-42.5172.1-170.70000112.5A837 F838 L839 R844A837-S841 PolarHBondContact O-N 3.49Å; A837-S841 VanDerWaalsContact O-N 3.1Å; F838-S841 PolarHBondContact O-N 2.8Å; L839-S841 VanDerWaalsContact C-N 3.31Å; L839-S841 PolarHBondContact O-N 2.83Å; S841-R844 WeakPolarHBondContact O-CB 3.27Å; S841-R844 PolarHBondContact O-N 2.79Å
842Y96.7Very high96.1Very high75 Ų7562.8 Ų62.829%0.29433%0.328SS..Hα-helixtrans-64.7-42.5-178174-93.3000112.5L743 W747 F838 L839L743-Y842 HydrophobicContact CB-CE1 4.05Å; L743-Y842 HydrophobicContact CD1-CE1 4.11Å; L743-Y842 HydrophobicContact CD1-CE2 4.2Å; L743-Y842 HydrophobicContact CD2-CE1 4.4Å; L743-Y842 HydrophobicContact CG-CE1 4.41Å; W747-Y842 VanDerWaalsContact CZ2-OH 3.29Å; W747-Y842 WeakPolarHBondContact CZ2-OH 3.48Å; W747-Y842 AromaticContact NE1-CE1 3.79Å; W747-Y842 AromaticContact NE1-CZ 3.82Å; W747-Y842 PolarHBondContact NE1-OH 3.42Å; F838-Y842 WeakPolarHBondContact O-CB 3.35Å; F838-Y842 PolarHBondContact O-N 3.3Å; L839-Y842 PolarHBondContact O-N 2.8Å
843Y97.6Very high96.2Very high0 Ų058.1 Ų58.10%030%0.303CS..Hα-helixtrans-87.3-2-179.4-71.6-62000114.1P697 L743 W747 L839 D845 H846 N847P697-Y843 HydrophobicContact CB-CD1 4.07Å; P697-Y843 HydrophobicContact CB-CD2 3.78Å; P697-Y843 HydrophobicContact CB-CE1 3.99Å; P697-Y843 HydrophobicContact CB-CE2 3.69Å; P697-Y843 HydrophobicContact CB-CG 3.96Å; P697-Y843 HydrophobicContact CG-CD1 4.2Å; P697-Y843 HydrophobicContact CG-CD2 3.69Å; P697-Y843 HydrophobicContact CG-CE2 4.13Å; P697-Y843 HydrophobicContact CG-CG 3.71Å; L743-Y843 WeakPolarHBondContact CA-OH 3.41Å; L743-Y843 PolarHBondContact O-OH 3.33Å; W747-Y843 AromaticContact CD1-CE1 3.95Å; L839-Y843 HydrophobicContact CB-CD2 4.36Å; L839-Y843 HydrophobicContact CD2-CE2 4.05Å; L839-Y843 WeakPolarHBondContact O-CD2 3.12Å; L839-Y843 PolarHBondContact O-N 3.47Å; Y843-D845 PolarHBondContact O-N 2.88Å; Y843-H846 HydrophobicContact CD1-CB 4.42Å; Y843-H846 CarbonylContact O-C 3.57Å; Y843-H846 PolarHBondContact O-N 3.42Å; Y843-H846 VanDerWaalsContact O-N 3.15Å; Y843-N847 WeakPolarHBondContact O-CB 3.23Å; Y843-N847 PolarHBondContact O-N 2.95Å
844R94.6Very high96.2Very high125 Ų12553.2 Ų53.247%0.47227%0.269SS..Hα-helixtrans-49.8-56.7-176.1-179.7176.5173.4156.2-3.9112.4S840 S841 H846 N847 V848S840-R844 PolarHBondContact O-N 3.47Å; S841-R844 WeakPolarHBondContact O-CB 3.27Å; S841-R844 PolarHBondContact O-N 2.79Å; R844-H846 PolarHBondContact O-N 3Å; R844-N847 PolarHBondContact O-N 2.96Å; R844-V848 WeakPolarHBondContact O-CG2 3.3Å; R844-V848 PolarHBondContact O-N 3.39Å
845D94.9Very high96.2Very high118 Ų11855.3 Ų55.363%0.63128%0.278SS*.Hα-helixtrans-67-39.1-177.8-64.5-22.1000111.3Y843 N847 V848 E849Y843-D845 PolarHBondContact O-N 2.88Å; D845-N847 VanDerWaalsContact C-N 3.31Å; D845-N847 PolarHBondContact O-N 3.24Å; D845-V848 PolarHBondContact O-N 3.38Å; D845-E849 WeakPolarHBondContact O-CG 3.28Å; D845-E849 PolarHBondContact O-N 2.85Å
846H96.4Very high96Very high50 Ų5063.7 Ų63.723%0.23131%0.314CS..Hα-helixtrans-61.3-37.9175.2-68.6-69.3000112.9W747 Y843 R844 L850W747-H846 AromaticContact CD1-CD2 3.63Å; W747-H846 AromaticContact CD1-CE1 3.42Å; W747-H846 VanDerWaalsContact CD1-CE1 3.42Å; W747-H846 AromaticContact CD1-CG 3.83Å; W747-H846 AromaticContact CD1-ND1 3.71Å; W747-H846 AromaticContact CD1-NE2 3.34Å; W747-H846 VanDerWaalsContact CD1-NE2 3.34Å; W747-H846 AromaticContact CE2-NE2 3.92Å; W747-H846 AromaticContact CG-CE1 3.7Å; W747-H846 AromaticContact CG-ND1 3.97Å; W747-H846 AromaticContact NE1-CD2 3.8Å; W747-H846 AromaticContact NE1-CE1 3.61Å; W747-H846 AromaticContact NE1-NE2 3.2Å; W747-H846 PolarHBondContact NE1-NE2 3.28Å; W747-H846 VanDerWaalsContact NE1-NE2 3.2Å; Y843-H846 HydrophobicContact CD1-CB 4.42Å; Y843-H846 CarbonylContact O-C 3.57Å; Y843-H846 PolarHBondContact O-N 3.42Å; Y843-H846 VanDerWaalsContact O-N 3.15Å; R844-H846 PolarHBondContact O-N 3Å; H846-L850 WeakPolarHBondContact O-CB 3.26Å; H846-L850 PolarHBondContact O-N 3.17Å
847N96.9Very high95.8Very high5 Ų561.4 Ų61.43%0.02731%0.308CS..Hα-helixtrans-72-36.2177.6-76-13.7000111.6Y843 R844 D845 L850 S851 L865Y843-N847 WeakPolarHBondContact O-CB 3.23Å; Y843-N847 PolarHBondContact O-N 2.95Å; R844-N847 PolarHBondContact O-N 2.96Å; D845-N847 VanDerWaalsContact C-N 3.31Å; D845-N847 PolarHBondContact O-N 3.24Å; N847-L850 PolarHBondContact O-N 3.38Å; N847-S851 WeakPolarHBondContact O-CB 3.47Å; N847-S851 PolarHBondContact O-N 2.96Å; N847-L865 HydrophobicContact CB-CD1 3.68Å
848V95.9Very high95.7Very high44 Ų4461.6 Ų61.627%0.26732%0.317SS..Hα-helixtrans-62.9-47.1172.1170.20000110.6R844 D845 L850 S851 K852 L869R844-V848 WeakPolarHBondContact O-CG2 3.3Å; R844-V848 PolarHBondContact O-N 3.39Å; D845-V848 PolarHBondContact O-N 3.38Å; V848-L850 VanDerWaalsContact C-N 3.34Å; V848-L850 PolarHBondContact O-N 3.46Å; V848-S851 WeakPolarHBondContact O-CB 3.31Å; V848-S851 PolarHBondContact O-N 3.42Å; V848-K852 WeakPolarHBondContact O-CG 3.36Å; V848-K852 PolarHBondContact O-N 3.33Å; V848-L869 HydrophobicContact CG2-CD2 4Å
849E96.3Very high95.4Very high92 Ų9261.1 Ų61.143%0.4332%0.315SS..Hα-helixtrans-63.5-39.3176.5-66.8-47.9122.800112.1A749 D845 S851 K852 L853A749-E849 HydrophobicContact CB-CB 4.11Å; D845-E849 WeakPolarHBondContact O-CG 3.28Å; D845-E849 PolarHBondContact O-N 2.85Å; E849-S851 VanDerWaalsContact C-N 3.33Å; E849-S851 PolarHBondContact O-N 2.95Å; E849-K852 PolarHBondContact O-N 3.49Å; E849-K852 IonicContact OE1-NZ 3.72Å; E849-K852 PolarHBondContact OE1-NZ 3.46Å; E849-K852 IonicContact OE2-NZ 2.7Å; E849-L853 WeakPolarHBondContact O-CB 3.45Å; E849-L853 PolarHBondContact O-N 2.92Å
850L97.5Very high95.1Very high1 Ų165.6 Ų65.61%0.00535%0.345CS..Hα-helixtrans-60.6-43.1173179.864.1000111.6L694 Y748 A749 I752 H846 N847 V848 K852 L853 L854 W864 L865L694-L850 HydrophobicContact CD1-CD1 4.32Å; L694-L850 HydrophobicContact CD1-CD2 4.25Å; Y748-L850 HydrophobicContact CD2-CD2 3.89Å; Y748-L850 HydrophobicContact CG-CD2 4.43Å; A749-L850 HydrophobicContact CB-CB 4.2Å; I752-L850 HydrophobicContact CD1-CD1 3.89Å; H846-L850 WeakPolarHBondContact O-CB 3.26Å; H846-L850 PolarHBondContact O-N 3.17Å; N847-L850 PolarHBondContact O-N 3.38Å; V848-L850 VanDerWaalsContact C-N 3.34Å; V848-L850 PolarHBondContact O-N 3.46Å; L850-K852 PolarHBondContact O-N 3.5Å; L850-L853 PolarHBondContact O-N 2.9Å; L850-L854 HydrophobicContact CD1-CD1 4.22Å; L850-L854 HydrophobicContact CD1-CD2 4.47Å; L850-L854 HydrophobicContact CD1-CG 4.07Å; L850-L854 HydrophobicContact CG-CD1 4.03Å; L850-L854 HydrophobicContact CG-CG 4.28Å; L850-L854 WeakPolarHBondContact O-CB 3.37Å; L850-L854 VanDerWaalsContact O-CG 3.29Å; L850-L854 WeakPolarHBondContact O-CG 3.3Å; L850-L854 PolarHBondContact O-N 2.97Å; L850-W864 HydrophobicContact CD2-CH2 3.86Å; L850-W864 HydrophobicContact CD2-CZ2 4.19Å; L850-L865 HydrophobicContact CD2-CD2 3.92Å; L850-L865 HydrophobicContact CG-CD2 4.06Å
851S96.9Very high94.9Very high26 Ų2666.5 Ų66.518%0.18235%0.347CS..Hα-helixtrans-61.2-43.7177.6-171.70000112.2N847 V848 E849 H855N847-S851 WeakPolarHBondContact O-CB 3.47Å; N847-S851 PolarHBondContact O-N 2.96Å; V848-S851 WeakPolarHBondContact O-CB 3.31Å; V848-S851 PolarHBondContact O-N 3.42Å; E849-S851 VanDerWaalsContact C-N 3.33Å; E849-S851 PolarHBondContact O-N 2.95Å; S851-H855 WeakPolarHBondContact O-CB 3.48Å; S851-H855 PolarHBondContact O-N 3.19Å
852K96Very high94.8Very high120 Ų12062.5 Ų62.552%0.52232%0.319SS..Hα-helixtrans-62.5-44.8176.5-69.2172.8-175167.70111V848 E849 L850 H855 K856V848-K852 WeakPolarHBondContact O-CG 3.36Å; V848-K852 PolarHBondContact O-N 3.33Å; E849-K852 PolarHBondContact O-N 3.49Å; E849-K852 IonicContact OE1-NZ 3.72Å; E849-K852 PolarHBondContact OE1-NZ 3.46Å; E849-K852 IonicContact OE2-NZ 2.7Å; L850-K852 PolarHBondContact O-N 3.5Å; K852-H855 PolarHBondContact O-N 3.33Å; K852-K856 WeakPolarHBondContact O-CB 3.38Å; K852-K856 PolarHBondContact O-N 2.95Å
853L96.3Very high94.4Very high11 Ų1161.1 Ų61.16%0.05832%0.32CS..Hα-helixtrans-62.1-49.1178175.764000111.7A749 I752 E753 L756 E849 L850 H855 K856 L857A749-L853 HydrophobicContact CB-CD2 4.31Å; I752-L853 HydrophobicContact CB-CD2 3.86Å; I752-L853 HydrophobicContact CG2-CD2 3.67Å; E753-L853 HydrophobicContact CG-CD1 4.21Å; E753-L853 HydrophobicContact CG-CD2 4.08Å; L756-L853 HydrophobicContact CD1-CD1 4Å; E849-L853 WeakPolarHBondContact O-CB 3.45Å; E849-L853 PolarHBondContact O-N 2.92Å; L850-L853 PolarHBondContact O-N 2.9Å; L853-H855 VanDerWaalsContact C-N 3.29Å; L853-H855 PolarHBondContact O-N 3.35Å; L853-K856 WeakPolarHBondContact O-CB 3.45Å; L853-K856 PolarHBondContact O-N 2.91Å; L853-K856 VanDerWaalsContact O-N 3.13Å; L853-L857 HydrophobicContact CD1-CD1 4.01Å; L853-L857 HydrophobicContact CD1-CG 4.18Å; L853-L857 HydrophobicContact CG-CD1 3.94Å; L853-L857 HydrophobicContact CG-CG 4.48Å; L853-L857 VanDerWaalsContact O-CG 3.28Å; L853-L857 WeakPolarHBondContact O-CG 3.39Å; L853-L857 PolarHBondContact O-N 3.43Å
854L95.7Very high94.2Very high0 Ų061.7 Ų61.70%032%0.322CS..Hα-helixtrans-60.8-40.1178.8-69.4177.2000111.7I766 L850 L857 G858 Q859 L861 P862 L865I766-L854 HydrophobicContact CD1-CD2 3.44Å; I766-L854 VanDerWaalsContact CD1-CD2 3.44Å; I766-L854 HydrophobicContact CG2-CD2 4.46Å; L850-L854 HydrophobicContact CD1-CD1 4.22Å; L850-L854 HydrophobicContact CD1-CD2 4.47Å; L850-L854 HydrophobicContact CD1-CG 4.07Å; L850-L854 HydrophobicContact CG-CD1 4.03Å; L850-L854 HydrophobicContact CG-CG 4.28Å; L850-L854 WeakPolarHBondContact O-CB 3.37Å; L850-L854 VanDerWaalsContact O-CG 3.29Å; L850-L854 WeakPolarHBondContact O-CG 3.3Å; L850-L854 PolarHBondContact O-N 2.97Å; L854-L857 CarbonylContact O-C 3.55Å; L854-L857 PolarHBondContact O-N 3.01Å; L854-G858 PolarHBondContact O-N 3.38Å; L854-G858 VanDerWaalsContact O-N 3.11Å; L854-Q859 HydrophobicContact CB-CB 4.41Å; L854-Q859 HydrophobicContact CD2-CB 3.96Å; L854-Q859 PolarHBondContact O-N 2.93Å; L854-L861 HydrophobicContact CB-CD2 3.92Å; L854-L861 HydrophobicContact CD1-CD2 3.89Å; L854-P862 HydrophobicContact CD1-CG 4.44Å; L854-L865 HydrophobicContact CD1-CD2 3.92Å
855H94.8Very high94.2Very high158 Ų15855.7 Ų55.773%0.73130%0.299SS*.Hα-helixtrans-61.1-45.7173.7-172.771.2000111.9S851 K852 L853 L857 G858S851-H855 WeakPolarHBondContact O-CB 3.48Å; S851-H855 PolarHBondContact O-N 3.19Å; K852-H855 PolarHBondContact O-N 3.33Å; L853-H855 VanDerWaalsContact C-N 3.29Å; L853-H855 PolarHBondContact O-N 3.35Å; H855-L857 PolarHBondContact O-N 2.97Å; H855-G858 PolarHBondContact O-N 3.07Å
856K93.6Very high94Very high176 Ų17656.2 Ų56.277%0.76529%0.293SS*.Hα-helixtrans-59.4-34.2174.7-179.3-178.3176.6-176.90112.6K852 L853 G858K852-K856 WeakPolarHBondContact O-CB 3.38Å; K852-K856 PolarHBondContact O-N 2.95Å; L853-K856 WeakPolarHBondContact O-CB 3.45Å; L853-K856 PolarHBondContact O-N 2.91Å; L853-K856 VanDerWaalsContact O-N 3.13Å; K856-G858 VanDerWaalsContact C-N 3.31Å
857L93.1Very high93.7Very high35 Ų3559.6 Ų59.618%0.18331%0.308CS..THydrogen-bonded Turntrans-82.6-4.5178.1-63.2170.9000113.6I752 L756 P761 I766 L853 L854 H855 Q859I752-L857 HydrophobicContact CG2-CD1 4.47Å; L756-L857 HydrophobicContact CD1-CD1 3.94Å; L756-L857 HydrophobicContact CD1-CD2 3.8Å; L756-L857 HydrophobicContact CD1-CG 4.4Å; L756-L857 HydrophobicContact CD2-CD2 4.18Å; P761-L857 HydrophobicContact CB-CD2 3.9Å; P761-L857 HydrophobicContact CG-CD2 3.91Å; I766-L857 HydrophobicContact CD1-CD1 4.35Å; L853-L857 HydrophobicContact CD1-CD1 4.01Å; L853-L857 HydrophobicContact CD1-CG 4.18Å; L853-L857 HydrophobicContact CG-CD1 3.94Å; L853-L857 HydrophobicContact CG-CG 4.48Å; L853-L857 VanDerWaalsContact O-CG 3.28Å; L853-L857 WeakPolarHBondContact O-CG 3.39Å; L853-L857 PolarHBondContact O-N 3.43Å; L854-L857 CarbonylContact O-C 3.55Å; L854-L857 PolarHBondContact O-N 3.01Å; H855-L857 PolarHBondContact O-N 2.97Å; L857-Q859 HydrophobicContact CB-CB 4.45Å; L857-Q859 HydrophobicContact CB-CG 3.8Å; L857-Q859 PolarHBondContact O-N 2.92Å
858G92.8Very high93.4Very high69 Ų6960 Ų6071%0.71131%0.31SS*.THydrogen-bonded Turntrans66.521.7-173.600000113.8L854 H855 K856L854-G858 PolarHBondContact O-N 3.38Å; L854-G858 VanDerWaalsContact O-N 3.11Å; H855-G858 PolarHBondContact O-N 3.07Å; K856-G858 VanDerWaalsContact C-N 3.31Å
859Q89.5Confident93.1Very high58 Ų5859.7 Ų59.727%0.27131%0.307SS..PPolyproline II helixtrans-92.9141-177.5-66.1-68.9-26.300110.9L854 L857L854-Q859 HydrophobicContact CB-CB 4.41Å; L854-Q859 HydrophobicContact CD2-CB 3.96Å; L854-Q859 PolarHBondContact O-N 2.93Å; L857-Q859 HydrophobicContact CB-CB 4.45Å; L857-Q859 HydrophobicContact CB-CG 3.8Å; L857-Q859 PolarHBondContact O-N 2.92Å
860P90.4Very high92.6Very high95 Ų9561.8 Ų61.862%0.61732%0.316SS*.PPolyproline II helixtrans-65.6141.7176.428.1-33.6000110.8P862P860-P862 WeakPolarHBondContact O-CD 3.21Å
861L92.4Very high91.7Very high48 Ų4867.8 Ų67.825%0.25134%0.343SS..PPolyproline II helixtrans-68.8129.9174.2-61178.9000109.9L854 L865 R866L854-L861 HydrophobicContact CB-CD2 3.92Å; L854-L861 HydrophobicContact CD1-CD2 3.89Å; L861-L865 HydrophobicContact CD2-CD2 4Å; L861-R866 HydrophobicContact CB-CG 3.8Å; L861-R866 HydrophobicContact CD1-CG 4.36Å; L861-R866 VanDerWaalsContact O-CZ 3.31Å; L861-R866 PolarHBondContact O-NE 2.95Å; L861-R866 PolarHBondContact O-NH2 3.44Å
862P92.1Very high89.9Confident7 Ų769.6 Ų69.65%0.04535%0.352CS..PPolyproline II helixtrans-54.6148171-27.435000112.2D768 L854 P860 W864 L865 R866D768-P862 HydrophobicContact CB-CB 4.21Å; D768-P862 WeakPolarHBondContact OD2-CA 3.3Å; L854-P862 HydrophobicContact CD1-CG 4.44Å; P860-P862 WeakPolarHBondContact O-CD 3.21Å; P862-W864 VanDerWaalsContact C-N 3.33Å; P862-W864 HydrophobicContact CB-CG 4.34Å; P862-W864 VanDerWaalsContact CB-NE1 3.29Å; P862-W864 PolarHBondContact O-N 2.92Å; P862-L865 HydrophobicContact CB-CB 4.31Å; P862-L865 PolarHBondContact O-N 2.93Å; P862-R866 PolarHBondContact O-N 2.91Å; P862-R866 VanDerWaalsContact O-N 3.13Å
863S89.1Confident87.5Confident45 Ų4577.7 Ų77.732%0.31538%0.379SS..Hα-helixtrans-53.3-47.1-179.353.60000112.8D768 L865 R866 Q867D768-S863 WeakPolarHBondContact OD2-CB 3.48Å; D768-S863 PolarHBondContact OD2-N 3.41Å; D768-S863 PolarHBondContact OD2-OG 3.25Å; S863-L865 VanDerWaalsContact C-N 3.31Å; S863-L865 PolarHBondContact O-N 2.96Å; S863-R866 PolarHBondContact O-N 3.05Å; S863-Q867 WeakPolarHBondContact O-CG 3.47Å; S863-Q867 PolarHBondContact O-N 3.35Å
864W92.8Very high87Confident12 Ų1281 Ų815%0.04540%0.396CS..Hα-helixtrans-62.3-36.4177.967.2-96.5000112.6L694 I695 D696 P697 Y748 L850 P862 Q867 E868L694-W864 HydrophobicContact CB-CZ2 4.1Å; L694-W864 PolarHBondContact O-NE1 2.97Å; I695-W864 VanDerWaalsContact C-CE2 3.44Å; I695-W864 WeakPolarHBondContact O-CZ2 3.43Å; D696-W864 HydrophobicContact CB-CB 4.36Å; D696-W864 HydrophobicContact CB-CD2 4.38Å; D696-W864 HydrophobicContact CB-CE3 4.22Å; D696-W864 HydrophobicContact CB-CG 4.46Å; P697-W864 HydrophobicContact CG-CZ3 4.29Å; Y748-W864 AromaticContact CD2-CH2 3.98Å; Y748-W864 HydrophobicContact CD2-CH2 3.98Å; Y748-W864 HydrophobicContact CD2-CZ2 4.12Å; Y748-W864 AromaticContact CE2-CH2 3.9Å; Y748-W864 HydrophobicContact CE2-CH2 3.9Å; Y748-W864 AromaticContact CE2-CZ2 3.93Å; Y748-W864 HydrophobicContact CE2-CZ2 3.93Å; L850-W864 HydrophobicContact CD2-CH2 3.86Å; L850-W864 HydrophobicContact CD2-CZ2 4.19Å; P862-W864 VanDerWaalsContact C-N 3.33Å; P862-W864 HydrophobicContact CB-CG 4.34Å; P862-W864 VanDerWaalsContact CB-NE1 3.29Å; P862-W864 PolarHBondContact O-N 2.92Å; W864-Q867 PolarHBondContact O-N 2.94Å; W864-E868 PolarHBondContact O-N 3.35Å
865L94.4Very high86.6Confident0 Ų085.3 Ų85.30%042%0.416CS..Hα-helixtrans-71.1-39.3-178.4-179.660.7000110.9N847 L850 L854 L861 P862 S863 Q867 E868 L869N847-L865 HydrophobicContact CB-CD1 3.68Å; L850-L865 HydrophobicContact CD2-CD2 3.92Å; L850-L865 HydrophobicContact CG-CD2 4.06Å; L854-L865 HydrophobicContact CD1-CD2 3.92Å; L861-L865 HydrophobicContact CD2-CD2 4Å; P862-L865 HydrophobicContact CB-CB 4.31Å; P862-L865 PolarHBondContact O-N 2.93Å; S863-L865 VanDerWaalsContact C-N 3.31Å; S863-L865 PolarHBondContact O-N 2.96Å; L865-Q867 VanDerWaalsContact C-N 3.29Å; L865-Q867 PolarHBondContact O-N 3.43Å; L865-E868 PolarHBondContact O-N 3.5Å; L865-L869 HydrophobicContact CD1-CD1 4.01Å; L865-L869 HydrophobicContact CD1-CG 4.07Å; L865-L869 HydrophobicContact CG-CD1 3.88Å; L865-L869 HydrophobicContact CG-CG 4.37Å; L865-L869 WeakPolarHBondContact O-CB 3.45Å; L865-L869 VanDerWaalsContact O-CG 3.25Å; L865-L869 WeakPolarHBondContact O-CG 3.47Å; L865-L869 PolarHBondContact O-N 3.36Å
866R91.7Very high86.1Confident129 Ų12981.2 Ų81.249%0.48740%0.399SS..Hα-helixtrans-59.4-42.3174-63.1-179.1-159.2-1773.4111.2L861 P862 S863 Q870L861-R866 HydrophobicContact CB-CG 3.8Å; L861-R866 HydrophobicContact CD1-CG 4.36Å; L861-R866 VanDerWaalsContact O-CZ 3.31Å; L861-R866 PolarHBondContact O-NE 2.95Å; L861-R866 PolarHBondContact O-NH2 3.44Å; P862-R866 PolarHBondContact O-N 2.91Å; P862-R866 VanDerWaalsContact O-N 3.13Å; S863-R866 PolarHBondContact O-N 3.05Å; R866-Q870 VanDerWaalsContact O-CG 3.26Å; R866-Q870 WeakPolarHBondContact O-CG 3.39Å; R866-Q870 PolarHBondContact O-N 3Å; R866-Q870 VanDerWaalsContact O-N 3.09Å
867Q89.9Confident85.7Confident121 Ų12175.6 Ų75.657%0.56538%0.377SS*.Hα-helixtrans-65.6-45178.3-68.2173.4-000111.9S863 W864 L865 L869 Q870S863-Q867 WeakPolarHBondContact O-CG 3.47Å; S863-Q867 PolarHBondContact O-N 3.35Å; W864-Q867 PolarHBondContact O-N 2.94Å; L865-Q867 VanDerWaalsContact C-N 3.29Å; L865-Q867 PolarHBondContact O-N 3.43Å; Q867-L869 PolarHBondContact O-N 3.27Å; Q867-Q870 PolarHBondContact O-N 3.16Å
868E90.4Very high85.2Confident13 Ų1378.2 Ų78.26%0.06139%0.389CS..Hα-helixtrans-64.2-40.2177.4-75.6-59.4114.900112.3S840 W864 L865 Q870 K871S840-E868 PolarHBondContact OG-OE2 3.2Å; W864-E868 PolarHBondContact O-N 3.35Å; L865-E868 PolarHBondContact O-N 3.5Å; E868-Q870 VanDerWaalsContact C-N 3.31Å; E868-Q870 PolarHBondContact O-N 3.46Å; E868-K871 WeakPolarHBondContact O-CB 3.49Å; E868-K871 PolarHBondContact O-N 3.06Å; E868-K871 WeakPolarHBondContact OE1-CE 3.47Å; E868-K871 IonicContact OE1-NZ 3.73Å; E868-K871 PolarHBondContact OE1-NZ 3.09Å
869L89.4Confident84.7Confident38 Ų3878.8 Ų78.820%0.19937%0.368CS..Hα-helixtrans-71.2-24.3178.4-67.1170.7000113.2V848 L865 Q867 K871 V872V848-L869 HydrophobicContact CG2-CD2 4Å; L865-L869 HydrophobicContact CD1-CD1 4.01Å; L865-L869 HydrophobicContact CD1-CG 4.07Å; L865-L869 HydrophobicContact CG-CD1 3.88Å; L865-L869 HydrophobicContact CG-CG 4.37Å; L865-L869 WeakPolarHBondContact O-CB 3.45Å; L865-L869 VanDerWaalsContact O-CG 3.25Å; L865-L869 WeakPolarHBondContact O-CG 3.47Å; L865-L869 PolarHBondContact O-N 3.36Å; Q867-L869 PolarHBondContact O-N 3.27Å; L869-K871 VanDerWaalsContact C-N 3.32Å; L869-V872 VanDerWaalsContact O-CB 3.3Å; L869-V872 WeakPolarHBondContact O-CB 3.47Å; L869-V872 PolarHBondContact O-N 3.46Å
870Q86.8Confident84.4Confident135 Ų13580.3 Ų80.363%0.63138%0.375SS*.Hα-helixtrans-70-28.5174.3-79.4172-400112.6R866 Q867 E868 V872 R873R866-Q870 VanDerWaalsContact O-CG 3.26Å; R866-Q870 WeakPolarHBondContact O-CG 3.39Å; R866-Q870 PolarHBondContact O-N 3Å; R866-Q870 VanDerWaalsContact O-N 3.09Å; Q867-Q870 PolarHBondContact O-N 3.16Å; E868-Q870 VanDerWaalsContact C-N 3.31Å; E868-Q870 PolarHBondContact O-N 3.46Å; Q870-V872 PolarHBondContact O-N 3.31Å; Q870-V872 VanDerWaalsContact O-N 3.12Å; Q870-R873 PolarHBondContact O-N 3.48Å
871K78.3Confident83.9Confident128 Ų12879.2 Ų79.256%0.55736%0.356SS*.THydrogen-bonded Turntrans-67.7-7174.9-61.4173.7-178.4174.80113.6E868 L869E868-K871 WeakPolarHBondContact O-CB 3.49Å; E868-K871 PolarHBondContact O-N 3.06Å; E868-K871 WeakPolarHBondContact OE1-CE 3.47Å; E868-K871 IonicContact OE1-NZ 3.73Å; E868-K871 PolarHBondContact OE1-NZ 3.09Å; L869-K871 VanDerWaalsContact C-N 3.32Å
872V58.3Low83.2Confident63 Ų6381.8 Ų81.838%0.38237%0.365SS..THydrogen-bonded Turntrans-92.5-17.3-177.8-1770000111.9L869 Q870L869-V872 VanDerWaalsContact O-CB 3.3Å; L869-V872 WeakPolarHBondContact O-CB 3.47Å; L869-V872 PolarHBondContact O-N 3.46Å; Q870-V872 PolarHBondContact O-N 3.31Å; Q870-V872 VanDerWaalsContact O-N 3.12Å
873R45.3Very low82.4Confident290 Ų29088.5 Ų88.5100%1.09439%0.394SS*.  trans-900170.4-70.4-175.8179.2-178.6-0.8109.7Q870Q870-R873 PolarHBondContact O-N 3.48Å

Retrieved 873 of 873 residues in 590 ms (Link to these results)

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