A0A087X9K7_POEFO Loading...

Transmembrane protein 248

AlphaFold DB , UniProt , Accession A0A087X9K7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 316 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
1M35.5Very low63.4Low209 Ų209111.4 Ų111.4100%1.0357%0.566SS**  095.30-172.5179.9-94.600106.9Y3M1-Y3 PolarHBondContact O-N 3.43Å
2V39.8Very low64.7Low137 Ų137117.8 Ų117.883%0.8358%0.578SS**  trans-82.3110.5179.71790000106.3L4V2-L4 PolarHBondContact O-N 2.86Å
3Y54.9Low65.7Low185 Ų185109.4 Ų109.473%0.72554%0.541SS*.  trans-66.6102.1170.6-75.9-84.6000107.5M1 L5M1-Y3 PolarHBondContact O-N 3.43Å; Y3-L5 PolarHBondContact O-N 3.01Å
4L54.6Low66.6Low154 Ų154103.1 Ų103.181%0.80651%0.508SS*.  trans-65.786.4161-103.6140.8000106.7V2 N6V2-L4 PolarHBondContact O-N 2.86Å; L4-N6 PolarHBondContact O-N 3.19Å
5L62.5Low67.6Low95 Ų95101.6 Ų101.650%0.49750%0.502SS..  trans-64.7113.4165.6-72.8163.2000105.7Y3 P7Y3-L5 PolarHBondContact O-N 3.01Å; L5-P7 WeakPolarHBondContact O-CD 3.49Å
6N75.3Confident68.4Low76 Ų76101.5 Ų101.541%0.40651%0.509SS..  trans-90.284.2161.9-92.9-8.1000107.1L4 I8 E9 N10L4-N6 PolarHBondContact O-N 3.19Å; N6-I8 PolarHBondContact O-N 2.91Å; N6-I8 VanDerWaalsContact O-N 3.14Å; N6-E9 HydrophobicContact CB-CB 4.08Å; N6-E9 HydrophobicContact CB-CG 4.28Å; N6-E9 WeakPolarHBondContact CB-OE2 3.25Å; N6-E9 PolarHBondContact ND2-OE2 3.26Å; N6-E9 PolarHBondContact O-N 2.9Å; N6-E9 VanDerWaalsContact O-N 3.15Å; N6-N10 WeakPolarHBondContact O-CB 2.92Å; N6-N10 PolarHBondContact O-N 3.47Å
7P73.3Confident69.1Low60 Ų60101.5 Ų101.539%0.3951%0.511SS..Hα-helixtrans-58.6-33.4-171.824.1-36000112.1L5 L11 V291L5-P7 WeakPolarHBondContact O-CD 3.49Å; P7-L11 WeakPolarHBondContact O-CB 3.4Å; P7-L11 PolarHBondContact O-N 3.22Å; P7-V291 HydrophobicContact CB-CG1 3.84Å
8I74.5Confident69.8Low140 Ų140104.6 Ų104.672%0.71852%0.516SS*.Hα-helixtrans-69.5-43.8-179.2-60.5174.4000111.1N6 R12N6-I8 PolarHBondContact O-N 2.91Å; N6-I8 VanDerWaalsContact O-N 3.14Å; I8-R12 VanDerWaalsContact O-CB 3.28Å; I8-R12 WeakPolarHBondContact O-CB 3.5Å; I8-R12 PolarHBondContact O-N 3Å
9E76.1Confident70.4Confident105 Ų105102.9 Ų102.949%0.49151%0.513SS..Hα-helixtrans-72-37.4179.2-68.4179.5157.500111.8N6 R12 G13N6-E9 HydrophobicContact CB-CB 4.08Å; N6-E9 HydrophobicContact CB-CG 4.28Å; N6-E9 WeakPolarHBondContact CB-OE2 3.25Å; N6-E9 PolarHBondContact ND2-OE2 3.26Å; N6-E9 PolarHBondContact O-N 2.9Å; N6-E9 VanDerWaalsContact O-N 3.15Å; E9-R12 PolarHBondContact O-N 3.29Å; E9-G13 PolarHBondContact O-N 3.47Å
10N75.9Confident71Confident16 Ų16102.8 Ų102.89%0.08652%0.52CS..Hα-helixtrans-64.9-45.3175.3-69.9-1.7000111.2N6 G13 Y14 V291 G294N6-N10 WeakPolarHBondContact O-CB 2.92Å; N6-N10 PolarHBondContact O-N 3.47Å; N10-G13 PolarHBondContact O-N 2.88Å; N10-Y14 WeakPolarHBondContact O-CB 3.49Å; N10-Y14 PolarHBondContact O-N 3.45Å; N10-V291 WeakPolarHBondContact CB-O 3.38Å; N10-V291 PolarHBondContact ND2-O 2.98Å; N10-G294 VanDerWaalsContact CA-O 3.28Å; N10-G294 WeakPolarHBondContact CA-O 3.26Å; N10-G294 WeakPolarHBondContact CB-O 3.25Å; N10-G294 WeakPolarHBondContact O-CA 3.37Å; N10-G294 PolarHBondContact OD1-O 3.38Å
11L75.3Confident71.6Confident48 Ų48100.2 Ų100.225%0.25151%0.507SS..Hα-helixtrans-63-44.3175.7-17666.3000111.1P7 G13 Y14 I15 F287 A290P7-L11 WeakPolarHBondContact O-CB 3.4Å; P7-L11 PolarHBondContact O-N 3.22Å; L11-G13 PolarHBondContact O-N 2.84Å; L11-Y14 WeakPolarHBondContact O-CB 3.21Å; L11-Y14 PolarHBondContact O-N 3.37Å; L11-I15 HydrophobicContact CD1-CD1 4.35Å; L11-I15 HydrophobicContact CG-CD1 3.93Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.33Å; L11-I15 PolarHBondContact O-N 3.41Å; L11-F287 HydrophobicContact CD1-CD2 4.26Å; L11-F287 HydrophobicContact CD1-CE2 3.87Å; L11-F287 HydrophobicContact CD2-CE2 3.91Å; L11-F287 HydrophobicContact CD2-CZ 4.28Å; L11-A290 HydrophobicContact CD1-CB 4.08Å
12R79Confident73.9Confident188 Ų18891.8 Ų91.871%0.70947%0.468SS*.Hα-helixtrans-59.8-45.7175.4-173.1-178.6-178.5-166.51.3111.5I8 E9 Y14 I15 T16I8-R12 VanDerWaalsContact O-CB 3.28Å; I8-R12 WeakPolarHBondContact O-CB 3.5Å; I8-R12 PolarHBondContact O-N 3Å; E9-R12 PolarHBondContact O-N 3.29Å; R12-Y14 VanDerWaalsContact C-N 3.31Å; R12-Y14 PolarHBondContact O-N 2.99Å; R12-I15 PolarHBondContact O-N 3.11Å; R12-T16 PolarHBondContact O-N 2.93Å; R12-T16 VanDerWaalsContact O-N 3.08Å; R12-T16 PolarHBondContact O-OG1 2.9Å
13G77.3Confident76.2Confident9 Ų990.7 Ų90.79%0.09346%0.456CS..Hα-helixtrans-62.4-37.1175.500000112.7E9 N10 L11 N17E9-G13 PolarHBondContact O-N 3.47Å; N10-G13 PolarHBondContact O-N 2.88Å; L11-G13 PolarHBondContact O-N 2.84Å; G13-N17 VanDerWaalsContact O-CB 3.24Å; G13-N17 WeakPolarHBondContact O-CB 3.31Å; G13-N17 PolarHBondContact O-N 3.06Å; G13-N17 VanDerWaalsContact O-N 3.17Å; G13-N17 PolarHBondContact O-ND2 3.01Å
14Y78.3Confident77.7Confident21 Ų2186.8 Ų86.88%0.08244%0.443CS..Hα-helixtrans-66.7-45.1175.8-171.5-95.9000112.2N10 L11 R12 T16 N17 R18 L21 Y289 A290N10-Y14 WeakPolarHBondContact O-CB 3.49Å; N10-Y14 PolarHBondContact O-N 3.45Å; L11-Y14 WeakPolarHBondContact O-CB 3.21Å; L11-Y14 PolarHBondContact O-N 3.37Å; R12-Y14 VanDerWaalsContact C-N 3.31Å; R12-Y14 PolarHBondContact O-N 2.99Å; Y14-T16 PolarHBondContact O-N 2.92Å; Y14-N17 PolarHBondContact O-N 3.01Å; Y14-R18 PolarHBondContact O-N 3.13Å; Y14-L21 HydrophobicContact CE1-CD2 4Å; Y14-L21 WeakPolarHBondContact OH-CD1 3.33Å; Y14-L21 WeakPolarHBondContact OH-CD2 3.48Å; Y14-Y289 AromaticContact CE2-CD1 3.95Å; Y14-Y289 HydrophobicContact CE2-CD1 3.95Å; Y14-Y289 AromaticContact CE2-CE1 3.98Å; Y14-Y289 HydrophobicContact CE2-CE1 3.98Å; Y14-A290 HydrophobicContact CD1-CB 3.38Å; Y14-A290 HydrophobicContact CD2-CB 3.95Å; Y14-A290 HydrophobicContact CE1-CB 3.59Å; Y14-A290 HydrophobicContact CE2-CB 4.13Å; Y14-A290 HydrophobicContact CG-CB 3.55Å
15I81.5Confident79.2Confident81 Ų8180.7 Ų80.742%0.41541%0.411SS..Hα-helixtrans-61-46.9179.8-69.6165.6000110.9L11 R12 V22L11-I15 HydrophobicContact CD1-CD1 4.35Å; L11-I15 HydrophobicContact CG-CD1 3.93Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.33Å; L11-I15 PolarHBondContact O-N 3.41Å; R12-I15 PolarHBondContact O-N 3.11Å; I15-V22 HydrophobicContact CB-CG2 4.24Å; I15-V22 HydrophobicContact CG1-CG2 4.19Å; I15-V22 HydrophobicContact CG2-CG2 4.22Å
16T80.5Confident80.5Confident100 Ų10081.4 Ų81.461%0.61341%0.414SS*.Hα-helixtrans-70.2-34-177.7-50.80000112.7R12 Y14R12-T16 PolarHBondContact O-N 2.93Å; R12-T16 VanDerWaalsContact O-N 3.08Å; R12-T16 PolarHBondContact O-OG1 2.9Å; Y14-T16 PolarHBondContact O-N 2.92Å
17N80.3Confident81.2Confident102 Ų10280.5 Ų80.555%0.54541%0.413SS..Hα-helixtrans-90.7-15.7-173.3-68.7-40.5000114.1G13 Y14 P19G13-N17 VanDerWaalsContact O-CB 3.24Å; G13-N17 WeakPolarHBondContact O-CB 3.31Å; G13-N17 PolarHBondContact O-N 3.06Å; G13-N17 VanDerWaalsContact O-N 3.17Å; G13-N17 PolarHBondContact O-ND2 3.01Å; Y14-N17 PolarHBondContact O-N 3.01Å; N17-P19 VanDerWaalsContact C-CD 3.44Å
18R82.7Confident81.9Confident157 Ų15778.4 Ų78.459%0.59240%0.4SS*.  trans-132.558-175.8-59.7-67.9-175.2171.3-0.2112.9Y14 P20 L21 V22Y14-R18 PolarHBondContact O-N 3.13Å; R18-P20 VanDerWaalsContact C-CD 3.49Å; R18-L21 HydrophobicContact CB-CB 4.22Å; R18-L21 PolarHBondContact O-N 3.14Å; R18-L21 VanDerWaalsContact O-N 3.08Å; R18-V22 PolarHBondContact O-N 2.8Å
19P79.9Confident82.4Confident73 Ų7373.4 Ų73.447%0.47438%0.377SS..Hα-helixtrans-53.2-42.2-175.97.4-15000115.4N17 L21 V22 I23N17-P19 VanDerWaalsContact C-CD 3.44Å; P19-L21 VanDerWaalsContact C-N 3.28Å; P19-L21 PolarHBondContact O-N 3.15Å; P19-V22 PolarHBondContact O-N 3.48Å; P19-I23 WeakPolarHBondContact O-CG1 3.37Å; P19-I23 PolarHBondContact O-N 3.34Å
20P83.8Confident83.1Confident100 Ų10071.1 Ų71.165%0.64938%0.376SS*.Hα-helixtrans-61.7-34.4178.8-24.734.3000113.8R18 F24R18-P20 VanDerWaalsContact C-CD 3.49Å; P20-F24 PolarHBondContact O-N 3.34Å; P20-F24 VanDerWaalsContact O-N 3.13Å
21L81.8Confident83.7Confident48 Ų4873.4 Ų73.425%0.25139%0.391SS..Hα-helixtrans-75.9-33.9-177.8-154.1160.6000110.6Y14 R18 P19 F24 M25 M286Y14-L21 HydrophobicContact CE1-CD2 4Å; Y14-L21 WeakPolarHBondContact OH-CD1 3.33Å; Y14-L21 WeakPolarHBondContact OH-CD2 3.48Å; R18-L21 HydrophobicContact CB-CB 4.22Å; R18-L21 PolarHBondContact O-N 3.14Å; R18-L21 VanDerWaalsContact O-N 3.08Å; P19-L21 VanDerWaalsContact C-N 3.28Å; P19-L21 PolarHBondContact O-N 3.15Å; L21-F24 PolarHBondContact O-N 3.01Å; L21-M25 HydrophobicContact CD2-CG 3.88Å; L21-M25 WeakPolarHBondContact O-CG 3.5Å; L21-M25 PolarHBondContact O-N 3.09Å; L21-M286 HydrophobicContact CD2-SD 3.92Å
22V84.6Confident84.3Confident32 Ų3271.1 Ų71.119%0.19438%0.379CS..Hα-helixtrans-62.6-44172.9179.90000111.1I15 R18 P19 F24 M25 I26I15-V22 HydrophobicContact CB-CG2 4.24Å; I15-V22 HydrophobicContact CG1-CG2 4.19Å; I15-V22 HydrophobicContact CG2-CG2 4.22Å; R18-V22 PolarHBondContact O-N 2.8Å; P19-V22 PolarHBondContact O-N 3.48Å; V22-F24 VanDerWaalsContact C-N 3.34Å; V22-F24 PolarHBondContact O-N 3.4Å; V22-M25 WeakPolarHBondContact O-CB 3.45Å; V22-M25 PolarHBondContact O-N 3.01Å; V22-I26 HydrophobicContact CG1-CD1 4.01Å; V22-I26 WeakPolarHBondContact O-CG1 3.1Å; V22-I26 PolarHBondContact O-N 3.23Å
23I87.8Confident84.7Confident115 Ų11567 Ų6759%0.5937%0.369SS*.Hα-helixtrans-63.1-43.5177.9-63.6168.5000110.5P19 M25 I26 S27P19-I23 WeakPolarHBondContact O-CG1 3.37Å; P19-I23 PolarHBondContact O-N 3.34Å; I23-M25 VanDerWaalsContact C-N 3.31Å; I23-M25 PolarHBondContact O-N 2.88Å; I23-I26 PolarHBondContact O-N 3.05Å; I23-S27 PolarHBondContact O-N 3.46Å; I23-S27 PolarHBondContact O-OG 2.82Å
24F87.6Confident85.2Confident102 Ų10268.4 Ų68.445%0.44738%0.381SS..Hα-helixtrans-59.3-40.6174.5178.7-101.2000112.5P20 L21 V22 S27 V28P20-F24 PolarHBondContact O-N 3.34Å; P20-F24 VanDerWaalsContact O-N 3.13Å; L21-F24 PolarHBondContact O-N 3.01Å; V22-F24 VanDerWaalsContact C-N 3.34Å; V22-F24 PolarHBondContact O-N 3.4Å; F24-S27 WeakPolarHBondContact CA-OG 3.48Å; F24-S27 PolarHBondContact O-N 3.25Å; F24-S27 PolarHBondContact O-OG 2.95Å; F24-V28 HydrophobicContact CD1-CG2 4.28Å; F24-V28 HydrophobicContact CD2-CG2 4.18Å; F24-V28 HydrophobicContact CE1-CG2 3.9Å; F24-V28 HydrophobicContact CE2-CG2 3.79Å; F24-V28 HydrophobicContact CG-CG2 4.41Å; F24-V28 HydrophobicContact CZ-CG2 3.64Å; F24-V28 WeakPolarHBondContact O-CB 3.41Å; F24-V28 VanDerWaalsContact O-CG2 3.24Å; F24-V28 WeakPolarHBondContact O-CG2 3.3Å; F24-V28 PolarHBondContact O-N 3.45Å
25M86Confident85.4Confident27 Ų2770.8 Ų70.813%0.13339%0.391CS..Hα-helixtrans-64.4-42.9177.4-74.8-65.8-74.300112.8L21 V22 I23 S29 V283 M286L21-M25 HydrophobicContact CD2-CG 3.88Å; L21-M25 WeakPolarHBondContact O-CG 3.5Å; L21-M25 PolarHBondContact O-N 3.09Å; V22-M25 WeakPolarHBondContact O-CB 3.45Å; V22-M25 PolarHBondContact O-N 3.01Å; I23-M25 VanDerWaalsContact C-N 3.31Å; I23-M25 PolarHBondContact O-N 2.88Å; M25-S29 WeakPolarHBondContact O-CB 3.46Å; M25-S29 PolarHBondContact O-N 3.48Å; M25-S29 PolarHBondContact O-OG 3.32Å; M25-V283 HydrophobicContact CE-CB 4.28Å; M25-V283 HydrophobicContact CE-CG1 3.81Å; M25-V283 VanDerWaalsContact CE-O 3.26Å; M25-V283 WeakPolarHBondContact CE-O 3.41Å; M25-M286 HydrophobicContact CE-CB 3.39Å; M25-M286 HydrophobicContact CE-CG 4.47Å; M25-M286 HydrophobicContact CG-CB 4.46Å; M25-M286 HydrophobicContact SD-CB 3.2Å; M25-M286 WeakPolarHBondContact SD-CB 2.97Å; M25-M286 HydrophobicContact SD-CG 3.69Å
26I88.4Confident85.5Confident110 Ų11070.8 Ų70.856%0.56439%0.392SS*.Hα-helixtrans-66.1-43.7177.8-67168.2000110.3V22 I23 S29 A30V22-I26 HydrophobicContact CG1-CD1 4.01Å; V22-I26 WeakPolarHBondContact O-CG1 3.1Å; V22-I26 PolarHBondContact O-N 3.23Å; I23-I26 PolarHBondContact O-N 3.05Å; I26-S29 PolarHBondContact O-N 3.01Å; I26-A30 PolarHBondContact O-N 3.45Å
27S89.9Confident85.6Confident56 Ų5669.9 Ų69.939%0.39239%0.386SS..Hα-helixtrans-66.4-45.1-179.6640000112.3I23 F24 S29 A30 V31I23-S27 PolarHBondContact O-N 3.46Å; I23-S27 PolarHBondContact O-OG 2.82Å; F24-S27 WeakPolarHBondContact CA-OG 3.48Å; F24-S27 PolarHBondContact O-N 3.25Å; F24-S27 PolarHBondContact O-OG 2.95Å; S27-S29 VanDerWaalsContact C-N 3.29Å; S27-S29 PolarHBondContact O-N 3.05Å; S27-A30 PolarHBondContact O-N 2.96Å; S27-V31 WeakPolarHBondContact O-CG2 3.28Å; S27-V31 PolarHBondContact O-N 3.39Å
28V88.3Confident85.7Confident17 Ų1768.6 Ų68.610%0.10338%0.378CS..Hα-helixtrans-61.5-40175.8171.90000111.1F24 V31 A32 L279 V283F24-V28 HydrophobicContact CD1-CG2 4.28Å; F24-V28 HydrophobicContact CD2-CG2 4.18Å; F24-V28 HydrophobicContact CE1-CG2 3.9Å; F24-V28 HydrophobicContact CE2-CG2 3.79Å; F24-V28 HydrophobicContact CG-CG2 4.41Å; F24-V28 HydrophobicContact CZ-CG2 3.64Å; F24-V28 WeakPolarHBondContact O-CB 3.41Å; F24-V28 VanDerWaalsContact O-CG2 3.24Å; F24-V28 WeakPolarHBondContact O-CG2 3.3Å; F24-V28 PolarHBondContact O-N 3.45Å; V28-V31 PolarHBondContact O-N 3.48Å; V28-A32 WeakPolarHBondContact O-CB 3.26Å; V28-A32 PolarHBondContact O-N 2.93Å; V28-L279 HydrophobicContact CG1-CB 4.24Å; V28-L279 HydrophobicContact CG1-CD2 4.06Å; V28-V283 HydrophobicContact CB-CG2 4.27Å; V28-V283 HydrophobicContact CG1-CG2 3.64Å
29S86.6Confident85.4Confident35 Ų3561.4 Ų61.425%0.24535%0.353CS..Hα-helixtrans-63.7-42.5176-580000111.9M25 I26 S27 A32 I33M25-S29 WeakPolarHBondContact O-CB 3.46Å; M25-S29 PolarHBondContact O-N 3.48Å; M25-S29 PolarHBondContact O-OG 3.32Å; I26-S29 PolarHBondContact O-N 3.01Å; S27-S29 VanDerWaalsContact C-N 3.29Å; S27-S29 PolarHBondContact O-N 3.05Å; S29-A32 PolarHBondContact O-N 3.43Å; S29-I33 VanDerWaalsContact O-CG1 3.29Å; S29-I33 WeakPolarHBondContact O-CG1 3.2Å; S29-I33 PolarHBondContact O-N 3.19Å
30A90.2Very high85.3Confident56 Ų5665.4 Ų65.446%0.46336%0.36SS..Hα-helixtrans-63.3-41.7177.100000112.1I26 S27 I33 A34I26-A30 PolarHBondContact O-N 3.45Å; S27-A30 PolarHBondContact O-N 2.96Å; A30-I33 PolarHBondContact O-N 3.47Å; A30-A34 WeakPolarHBondContact O-CB 3.1Å; A30-A34 PolarHBondContact O-N 3.34Å
31V88.9Confident84.9Confident65 Ų6565.1 Ų65.139%0.39435%0.349SS..Hα-helixtrans-64.2-42.7175.5173.90000111.2S27 V28 I33 A34 F35 L279S27-V31 WeakPolarHBondContact O-CG2 3.28Å; S27-V31 PolarHBondContact O-N 3.39Å; V28-V31 PolarHBondContact O-N 3.48Å; V31-I33 VanDerWaalsContact C-N 3.35Å; V31-I33 PolarHBondContact O-N 2.9Å; V31-A34 PolarHBondContact O-N 2.87Å; V31-F35 HydrophobicContact CG1-CD2 4.03Å; V31-F35 HydrophobicContact CG1-CE1 4.22Å; V31-F35 HydrophobicContact CG1-CE2 3.6Å; V31-F35 HydrophobicContact CG1-CZ 3.71Å; V31-F35 WeakPolarHBondContact O-CG 3.26Å; V31-F35 PolarHBondContact O-N 2.8Å; V31-L279 HydrophobicContact CG1-CD1 3.89Å
32A86.8Confident84.4Confident0 Ų066.3 Ų66.30%035%0.352CS..Hα-helixtrans-61.6-42.7177.200000112.1V28 S29 F35 L36 L279 F280V28-A32 WeakPolarHBondContact O-CB 3.26Å; V28-A32 PolarHBondContact O-N 2.93Å; S29-A32 PolarHBondContact O-N 3.43Å; A32-F35 PolarHBondContact O-N 2.89Å; A32-L36 PolarHBondContact O-N 3.16Å; A32-L279 HydrophobicContact CB-CB 3.87Å; A32-L279 HydrophobicContact CB-CD1 4.26Å; A32-F280 HydrophobicContact CB-CD2 4.23Å; A32-F280 HydrophobicContact CB-CE2 3.84Å; A32-F280 HydrophobicContact CB-CZ 4.14Å
33I87.8Confident83.5Confident100 Ų10071.6 Ų71.651%0.51337%0.372SS..Hα-helixtrans-64.5-44.3175.7-66.6165000110.5S29 A30 V31 F35 L36 T37S29-I33 VanDerWaalsContact O-CG1 3.29Å; S29-I33 WeakPolarHBondContact O-CG1 3.2Å; S29-I33 PolarHBondContact O-N 3.19Å; A30-I33 PolarHBondContact O-N 3.47Å; V31-I33 VanDerWaalsContact C-N 3.35Å; V31-I33 PolarHBondContact O-N 2.9Å; I33-F35 VanDerWaalsContact C-N 3.33Å; I33-F35 PolarHBondContact O-N 2.94Å; I33-L36 PolarHBondContact O-N 2.99Å; I33-T37 HydrophobicContact CG2-CG2 4.29Å; I33-T37 WeakPolarHBondContact O-CG2 3.33Å; I33-T37 PolarHBondContact O-N 2.87Å; I33-T37 PolarHBondContact O-OG1 3.44Å
34A87.3Confident82.4Confident40 Ų4071 Ų7133%0.33137%0.369SS..Hα-helixtrans-60.2-42.1177.400000112.1A30 V31 T37 I38A30-A34 WeakPolarHBondContact O-CB 3.1Å; A30-A34 PolarHBondContact O-N 3.34Å; V31-A34 PolarHBondContact O-N 2.87Å; A34-T37 WeakPolarHBondContact CA-OG1 3.17Å; A34-T37 PolarHBondContact O-N 2.85Å; A34-T37 PolarHBondContact O-OG1 2.95Å; A34-I38 VanDerWaalsContact O-CB 3.3Å; A34-I38 WeakPolarHBondContact O-CB 3.42Å; A34-I38 WeakPolarHBondContact O-CD1 3.49Å; A34-I38 WeakPolarHBondContact O-CG1 3.37Å; A34-I38 PolarHBondContact O-N 3.3Å
35F84Confident80.9Confident71 Ų7171.8 Ų71.831%0.31137%0.373SS..Hα-helixtrans-67.3-37176.3-69.7-11.8000112.7V31 A32 I33 G39 L272 L279V31-F35 HydrophobicContact CG1-CD2 4.03Å; V31-F35 HydrophobicContact CG1-CE1 4.22Å; V31-F35 HydrophobicContact CG1-CE2 3.6Å; V31-F35 HydrophobicContact CG1-CZ 3.71Å; V31-F35 WeakPolarHBondContact O-CG 3.26Å; V31-F35 PolarHBondContact O-N 2.8Å; A32-F35 PolarHBondContact O-N 2.89Å; I33-F35 VanDerWaalsContact C-N 3.33Å; I33-F35 PolarHBondContact O-N 2.94Å; F35-G39 PolarHBondContact O-N 3.06Å; F35-L272 HydrophobicContact CB-CD2 3.88Å; F35-L272 HydrophobicContact CD1-CD2 4.19Å; F35-L272 HydrophobicContact CG-CD2 4.1Å; F35-L279 HydrophobicContact CD2-CD1 3.96Å; F35-L279 HydrophobicContact CE2-CD1 4.1Å
36L82.3Confident79.3Confident81 Ų8178 Ų7842%0.42440%0.401SS..Hα-helixtrans-66.3-43.1173.2-77-175.6000112.7A32 I33 I38 G39 Y40 F280A32-L36 PolarHBondContact O-N 3.16Å; I33-L36 PolarHBondContact O-N 2.99Å; L36-I38 VanDerWaalsContact C-N 3.35Å; L36-G39 PolarHBondContact O-N 2.86Å; L36-Y40 VanDerWaalsContact O-CB 3.25Å; L36-Y40 WeakPolarHBondContact O-CB 3.35Å; L36-Y40 PolarHBondContact O-N 2.78Å; L36-F280 HydrophobicContact CD1-CD2 4.41Å; L36-F280 HydrophobicContact CD1-CE2 3.31Å; L36-F280 HydrophobicContact CD1-CZ 3.63Å; L36-F280 HydrophobicContact CG-CE2 3.93Å
37T83.2Confident77.6Confident80 Ų8075.5 Ų75.549%0.49139%0.388SS..Hα-helixtrans-66.9-39.4179.354.70000111.3I33 A34 Y40 F41I33-T37 HydrophobicContact CG2-CG2 4.29Å; I33-T37 WeakPolarHBondContact O-CG2 3.33Å; I33-T37 PolarHBondContact O-N 2.87Å; I33-T37 PolarHBondContact O-OG1 3.44Å; A34-T37 WeakPolarHBondContact CA-OG1 3.17Å; A34-T37 PolarHBondContact O-N 2.85Å; A34-T37 PolarHBondContact O-OG1 2.95Å; T37-Y40 PolarHBondContact O-N 2.87Å; T37-F41 VanDerWaalsContact O-CB 3.22Å; T37-F41 WeakPolarHBondContact O-CB 3.45Å; T37-F41 PolarHBondContact O-N 2.81Å
38I81.8Confident75.4Confident75 Ų7579.1 Ų79.139%0.38540%0.397SS..Hα-helixtrans-64-47.3173.2-69.6167.7000110.6A34 L36 Y40 F41 F42 L272A34-I38 VanDerWaalsContact O-CB 3.3Å; A34-I38 WeakPolarHBondContact O-CB 3.42Å; A34-I38 WeakPolarHBondContact O-CD1 3.49Å; A34-I38 WeakPolarHBondContact O-CG1 3.37Å; A34-I38 PolarHBondContact O-N 3.3Å; L36-I38 VanDerWaalsContact C-N 3.35Å; I38-Y40 PolarHBondContact O-N 3.45Å; I38-F41 WeakPolarHBondContact O-CB 3.41Å; I38-F41 PolarHBondContact O-N 3.49Å; I38-F42 HydrophobicContact CG2-CD2 3.59Å; I38-F42 HydrophobicContact CG2-CE2 3.38Å; I38-F42 WeakPolarHBondContact O-CD2 3.24Å; I38-F42 PolarHBondContact O-N 2.96Å; I38-L272 HydrophobicContact CG2-CD1 4.19Å; I38-L272 HydrophobicContact CG2-CD2 4.38Å
39G77.6Confident73.1Confident6 Ų680.4 Ų80.46%0.06241%0.407CS..Hα-helixtrans-61.1-41.4176.400000113.1F35 L36 F42 K43F35-G39 PolarHBondContact O-N 3.06Å; L36-G39 PolarHBondContact O-N 2.86Å; G39-F42 PolarHBondContact O-N 3.4Å; G39-K43 WeakPolarHBondContact O-CB 3.26Å; G39-K43 PolarHBondContact O-N 2.89Å
40Y77.5Confident71.1Confident157 Ų15785.3 Ų85.362%0.61644%0.438SS*.Hα-helixtrans-65.6-39.5174.8-175.4-106000112.1L36 T37 I38 K43 I44L36-Y40 VanDerWaalsContact O-CB 3.25Å; L36-Y40 WeakPolarHBondContact O-CB 3.35Å; L36-Y40 PolarHBondContact O-N 2.78Å; T37-Y40 PolarHBondContact O-N 2.87Å; I38-Y40 PolarHBondContact O-N 3.45Å; Y40-K43 WeakPolarHBondContact O-CB 3.13Å; Y40-K43 PolarHBondContact O-N 3.03Å; Y40-K43 VanDerWaalsContact O-N 3.17Å; Y40-I44 HydrophobicContact CD1-CD1 3.81Å; Y40-I44 HydrophobicContact CD2-CD1 3.94Å; Y40-I44 HydrophobicContact CE1-CD1 3.22Å; Y40-I44 HydrophobicContact CE2-CD1 3.36Å; Y40-I44 HydrophobicContact CE2-CG1 4.4Å; Y40-I44 HydrophobicContact CG-CD1 4.15Å; Y40-I44 PolarHBondContact O-N 2.74Å; Y40-I44 WeakPolarHBondContact OH-CD1 3.28Å
41F75.6Confident68.9Low95 Ų9591.4 Ų91.442%0.41746%0.457SS..Hα-helixtrans-61.7-47.2174.4-179.5-100.5000111.5T37 I38 K43 I44 K45 I47T37-F41 VanDerWaalsContact O-CB 3.22Å; T37-F41 WeakPolarHBondContact O-CB 3.45Å; T37-F41 PolarHBondContact O-N 2.81Å; I38-F41 WeakPolarHBondContact O-CB 3.41Å; I38-F41 PolarHBondContact O-N 3.49Å; F41-K43 PolarHBondContact O-N 3.17Å; F41-I44 PolarHBondContact O-N 2.97Å; F41-K45 HydrophobicContact CD2-CD 4.22Å; F41-K45 HydrophobicContact CD2-CG 4.21Å; F41-K45 HydrophobicContact CE2-CD 3.47Å; F41-K45 VanDerWaalsContact CE2-CD 3.47Å; F41-K45 HydrophobicContact CE2-CG 3.95Å; F41-K45 HydrophobicContact CZ-CD 3.76Å; F41-K45 HydrophobicContact CZ-CG 4.37Å; F41-K45 PolarHBondContact O-N 2.95Å; F41-I47 HydrophobicContact CD1-CD1 3.6Å; F41-I47 HydrophobicContact CE1-CD1 3.3Å; F41-I47 HydrophobicContact CE1-CG1 3.98Å; F41-I47 HydrophobicContact CZ-CD1 4.34Å
42F70Confident66.9Low72 Ų7291.6 Ų91.632%0.31646%0.455SS..Hα-helixtrans-62.8-27.8173.4-79.9-67.8000113.1I38 G39 I47 R265 L272I38-F42 HydrophobicContact CG2-CD2 3.59Å; I38-F42 HydrophobicContact CG2-CE2 3.38Å; I38-F42 WeakPolarHBondContact O-CD2 3.24Å; I38-F42 PolarHBondContact O-N 2.96Å; G39-F42 PolarHBondContact O-N 3.4Å; F42-I47 HydrophobicContact CD1-CD1 3.37Å; F42-I47 HydrophobicContact CE1-CD1 3.39Å; F42-I47 HydrophobicContact CG-CD1 4.2Å; F42-I47 HydrophobicContact CZ-CD1 4.25Å; F42-R265 VanDerWaalsContact O-CZ 3.27Å; F42-R265 PolarHBondContact O-NE 2.77Å; F42-R265 PolarHBondContact O-NH2 2.89Å; F42-L272 HydrophobicContact CD2-CD1 4.18Å
43K66Low65.5Low144 Ų14495.3 Ų95.363%0.62648%0.478SS*.Hα-helixtrans-76.6-32.5177.1-169.1178.1179.3-178.40113.2G39 Y40 F41 R265G39-K43 WeakPolarHBondContact O-CB 3.26Å; G39-K43 PolarHBondContact O-N 2.89Å; Y40-K43 WeakPolarHBondContact O-CB 3.13Å; Y40-K43 PolarHBondContact O-N 3.03Å; Y40-K43 VanDerWaalsContact O-N 3.17Å; F41-K43 PolarHBondContact O-N 3.17Å; K43-R265 VanDerWaalsContact C-NH2 3.33Å; K43-R265 PolarHBondContact O-NH2 3.14Å
44I65.1Low64.5Low101 Ų10194 Ų9452%0.51847%0.47SS..Hα-helixtrans-101-37.3-173.6-71.8172.5000113.1Y40 F41Y40-I44 HydrophobicContact CD1-CD1 3.81Å; Y40-I44 HydrophobicContact CD2-CD1 3.94Å; Y40-I44 HydrophobicContact CE1-CD1 3.22Å; Y40-I44 HydrophobicContact CE2-CD1 3.36Å; Y40-I44 HydrophobicContact CE2-CG1 4.4Å; Y40-I44 HydrophobicContact CG-CD1 4.15Å; Y40-I44 PolarHBondContact O-N 2.74Å; Y40-I44 WeakPolarHBondContact OH-CD1 3.28Å; F41-I44 PolarHBondContact O-N 2.97Å
45K56.1Low64.1Low120 Ų12092.8 Ų92.852%0.52246%0.458SS..SBendtrans-90119172.7-66.4-148.7-178.4-173.70108.2F41 I47F41-K45 HydrophobicContact CD2-CD 4.22Å; F41-K45 HydrophobicContact CD2-CG 4.21Å; F41-K45 HydrophobicContact CE2-CD 3.47Å; F41-K45 VanDerWaalsContact CE2-CD 3.47Å; F41-K45 HydrophobicContact CE2-CG 3.95Å; F41-K45 HydrophobicContact CZ-CD 3.76Å; F41-K45 HydrophobicContact CZ-CG 4.37Å; F41-K45 PolarHBondContact O-N 2.95Å; K45-I47 HydrophobicContact CB-CG1 3.98Å; K45-I47 PolarHBondContact O-N 2.7Å
46E52.5Low64.1Low156 Ų15689.6 Ų89.673%0.72944%0.443SS*.  trans-62.492.2154.7-74.4176.9175.300106.8K48E46-K48 PolarHBondContact O-N 3.19Å; E46-K48 VanDerWaalsContact O-N 3.15Å
47I52.4Low64.3Low59 Ų5985.8 Ų85.830%0.30342%0.423SS..  trans-78.2103.2174.9-61.1168.4000105.5F41 F42 K45 S49F41-I47 HydrophobicContact CD1-CD1 3.6Å; F41-I47 HydrophobicContact CE1-CD1 3.3Å; F41-I47 HydrophobicContact CE1-CG1 3.98Å; F41-I47 HydrophobicContact CZ-CD1 4.34Å; F42-I47 HydrophobicContact CD1-CD1 3.37Å; F42-I47 HydrophobicContact CE1-CD1 3.39Å; F42-I47 HydrophobicContact CG-CD1 4.2Å; F42-I47 HydrophobicContact CZ-CD1 4.25Å; K45-I47 HydrophobicContact CB-CG1 3.98Å; K45-I47 PolarHBondContact O-N 2.7Å; I47-S49 PolarHBondContact O-N 3.07Å
48K43.2Very low64.4Low131 Ų13184 Ų8457%0.5741%0.413SS*.  trans-56.3116.8167.8-160.1167.1-175.6175.30106.8E46 D55E46-K48 PolarHBondContact O-N 3.19Å; E46-K48 VanDerWaalsContact O-N 3.15Å; K48-D55 IonicContact NZ-OD1 3.78Å; K48-D55 PolarHBondContact NZ-OD1 3.08Å
49S41Very low64.8Low45 Ų4580.5 Ų80.532%0.31540%0.395SS..  trans-55.9132.5-177-73.40000110.1I47 E51 L52I47-S49 PolarHBondContact O-N 3.07Å; S49-E51 PolarHBondContact O-N 3.43Å; S49-L52 PolarHBondContact O-N 3.49Å
50P44.2Very low65.4Low138 Ų13880.2 Ų80.290%0.89639%0.392SS*.THydrogen-bonded Turntrans-67.5-2.2175.927.7-33.7000113.5
51E43Very low66Low184 Ų18475.7 Ų75.786%0.8638%0.378SS*.THydrogen-bonded Turntrans-109.74-179.8-113.7-169.7169.900114.5S49 T53S49-E51 PolarHBondContact O-N 3.43Å; E51-T53 PolarHBondContact O-N 3.42Å
52L48.3Very low66.6Low69 Ų6973.7 Ų73.736%0.36137%0.368SS..  trans-86.9104173.3-80.4160.9000109.3S49 E54 V258 V260S49-L52 PolarHBondContact O-N 3.49Å; L52-E54 PolarHBondContact O-N 2.94Å; L52-V258 HydrophobicContact CD1-CG1 4.18Å; L52-V258 HydrophobicContact CD2-CG1 4.03Å; L52-V260 HydrophobicContact CD1-CG2 4.36Å
53T56.5Low67.5Low77 Ų7770.3 Ų70.347%0.47235%0.353SS..  trans-28129.7150.552.90000110.3E51 D55E51-T53 PolarHBondContact O-N 3.42Å; T53-D55 PolarHBondContact O-N 3.21Å
54E67.7Low68.7Low73 Ų7365.2 Ų65.234%0.34133%0.332SS..  trans-36.5130.9-175.5-65.1179.9-177.300113.2L52 R62 P198L52-E54 PolarHBondContact O-N 2.94Å; E54-R62 IonicContact OE1-CZ 3.27Å; E54-R62 VanDerWaalsContact OE1-CZ 3.29Å; E54-R62 IonicContact OE1-NH1 3.62Å; E54-R62 IonicContact OE1-NH2 3.79Å; E54-R62 PolarHBondContact OE1-NH2 2.95Å; E54-R62 IonicContact OE2-CZ 3.61Å; E54-R62 VanDerWaalsContact OE2-CZ 3.29Å; E54-R62 IonicContact OE2-NE 3.37Å; E54-R62 IonicContact OE2-NH1 2.93Å; E54-R62 IonicContact OE2-NH2 2.66Å; E54-R62 PolarHBondContact OE2-NH2 3.27Å; E54-P198 WeakPolarHBondContact O-CB 3.4Å; E54-P198 WeakPolarHBondContact O-CG 3.34Å
55D77.3Confident69.8Low14 Ų1464.4 Ų64.48%0.07533%0.329CS..  trans-76.3151.8176.760.1-51.1000111.1K48 T53 N57 T58 F59K48-D55 IonicContact NZ-OD1 3.78Å; K48-D55 PolarHBondContact NZ-OD1 3.08Å; T53-D55 PolarHBondContact O-N 3.21Å; D55-N57 PolarHBondContact O-N 3.28Å; D55-N57 VanDerWaalsContact O-N 3.09Å; D55-T58 WeakPolarHBondContact O-CA 3.35Å; D55-T58 WeakPolarHBondContact O-CB 3.13Å; D55-T58 PolarHBondContact O-N 3.37Å; D55-T58 VanDerWaalsContact OD1-CB 3.3Å; D55-T58 WeakPolarHBondContact OD1-CB 3.22Å; D55-T58 PolarHBondContact OD1-OG1 2.7Å; D55-F59 PolarHBondContact O-N 3.29Å
56W85.6Confident71.4Confident4 Ų458.7 Ų58.72%0.01530%0.304CS..Hα-helixtrans-53.1-33.9-178.8-84.9101.3000113.8F59 L60 I114 F197 P198 T200 Q202 P203 L256W56-F59 AromaticContact CE3-CD1 3.98Å; W56-F59 HydrophobicContact CE3-CD1 3.98Å; W56-F59 AromaticContact CZ3-CD1 3.96Å; W56-F59 HydrophobicContact CZ3-CD1 3.96Å; W56-F59 HydrophobicContact CZ3-CE1 4.08Å; W56-F59 PolarHBondContact O-N 3.07Å; W56-L60 HydrophobicContact CE3-CD1 4.49Å; W56-L60 HydrophobicContact CE3-CG 4.38Å; W56-L60 VanDerWaalsContact O-CB 3.3Å; W56-L60 WeakPolarHBondContact O-CB 3.25Å; W56-L60 WeakPolarHBondContact O-CD1 3.32Å; W56-L60 WeakPolarHBondContact O-CG 3.23Å; W56-L60 PolarHBondContact O-N 3.41Å; W56-I114 HydrophobicContact CH2-CB 4.16Å; W56-I114 HydrophobicContact CH2-CG1 4.06Å; W56-I114 HydrophobicContact CH2-CG2 3.59Å; W56-I114 HydrophobicContact CZ2-CG2 4.4Å; W56-I114 HydrophobicContact CZ3-CG2 3.99Å; W56-F197 HydrophobicContact CH2-CB 4.18Å; W56-F197 AromaticContact CH2-CD1 3.46Å; W56-F197 HydrophobicContact CH2-CD1 3.46Å; W56-F197 VanDerWaalsContact CH2-CD1 3.46Å; W56-F197 HydrophobicContact CH2-CE1 4.22Å; W56-F197 HydrophobicContact CH2-CG 4.19Å; W56-F197 HydrophobicContact CZ2-CB 4.2Å; W56-F197 HydrophobicContact CZ2-CD1 4.3Å; W56-F197 HydrophobicContact CZ3-CD1 4.1Å; W56-P198 HydrophobicContact CD2-CB 4.1Å; W56-P198 HydrophobicContact CD2-CG 4.02Å; W56-P198 HydrophobicContact CE3-CG 4.41Å; W56-P198 HydrophobicContact CG-CB 4.03Å; W56-P198 HydrophobicContact CG-CG 4.2Å; W56-P198 PolarHBondContact NE1-O 3.17Å; W56-T200 PolarHBondContact NE1-O 3.4Å; W56-T200 VanDerWaalsContact NE1-O 3.12Å; W56-Q202 HydrophobicContact CZ2-CG 4.04Å; W56-P203 HydrophobicContact CD2-CG 4.05Å; W56-P203 HydrophobicContact CE3-CG 3.85Å; W56-P203 HydrophobicContact CZ3-CG 4.16Å; W56-L256 HydrophobicContact CB-CB 4.29Å
57N85.8Confident73.2Confident1 Ų152.3 Ų52.31%0.00528%0.275CS..Hα-helixtrans-64-46.9173.7-79.6-40.8000112D55 F59 L60 L61 H250 L252 N253 T257D55-N57 PolarHBondContact O-N 3.28Å; D55-N57 VanDerWaalsContact O-N 3.09Å; N57-F59 VanDerWaalsContact C-N 3.33Å; N57-F59 PolarHBondContact O-N 3.49Å; N57-L60 PolarHBondContact O-N 3.08Å; N57-L61 WeakPolarHBondContact O-CB 3.1Å; N57-L61 WeakPolarHBondContact O-CG 3.47Å; N57-L61 PolarHBondContact O-N 3.35Å; N57-H250 PolarHBondContact OD1-NE2 3.03Å; N57-L252 HydrophobicContact CB-CD2 3.79Å; N57-N253 PolarHBondContact ND2-O 3.42Å; N57-N253 PolarHBondContact OD1-N 3.42Å; N57-N253 VanDerWaalsContact OD1-N 3.11Å; N57-T257 WeakPolarHBondContact ND2-CG2 3.32Å; N57-T257 PolarHBondContact ND2-N 3.3Å
58T85.9Confident75Confident44 Ų4449.7 Ų49.727%0.2726%0.262SS..Hα-helixtrans-61.6-44.3177-60.60000110.7D55 L61 R62D55-T58 WeakPolarHBondContact O-CA 3.35Å; D55-T58 WeakPolarHBondContact O-CB 3.13Å; D55-T58 PolarHBondContact O-N 3.37Å; D55-T58 VanDerWaalsContact OD1-CB 3.3Å; D55-T58 WeakPolarHBondContact OD1-CB 3.22Å; D55-T58 PolarHBondContact OD1-OG1 2.7Å; T58-L61 PolarHBondContact O-N 3.43Å; T58-R62 WeakPolarHBondContact O-CG 3.38Å; T58-R62 PolarHBondContact O-N 3.46Å
59F89.1Confident77.1Confident1 Ų143.5 Ų43.50%0.00424%0.235CC..Hα-helixtrans-59.4-50.8177.2178.2-102.5000112.1D55 W56 N57 L61 R62 F63 I190 I196 F197 P198D55-F59 PolarHBondContact O-N 3.29Å; W56-F59 AromaticContact CE3-CD1 3.98Å; W56-F59 HydrophobicContact CE3-CD1 3.98Å; W56-F59 AromaticContact CZ3-CD1 3.96Å; W56-F59 HydrophobicContact CZ3-CD1 3.96Å; W56-F59 HydrophobicContact CZ3-CE1 4.08Å; W56-F59 PolarHBondContact O-N 3.07Å; N57-F59 VanDerWaalsContact C-N 3.33Å; N57-F59 PolarHBondContact O-N 3.49Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 3.13Å; F59-R62 WeakPolarHBondContact O-CB 3.28Å; F59-R62 PolarHBondContact O-N 3.25Å; F59-F63 HydrophobicContact CD1-CE2 4.12Å; F59-F63 AromaticContact CE1-CE2 3.71Å; F59-F63 HydrophobicContact CE1-CE2 3.71Å; F59-F63 HydrophobicContact CE1-CZ 4.16Å; F59-F63 HydrophobicContact CE2-CE2 4.47Å; F59-F63 AromaticContact CZ-CE2 3.9Å; F59-F63 HydrophobicContact CZ-CE2 3.9Å; F59-F63 HydrophobicContact CZ-CZ 4.03Å; F59-F63 WeakPolarHBondContact O-CD2 3.21Å; F59-I190 HydrophobicContact CE1-CD1 3.95Å; F59-I196 HydrophobicContact CE2-CG2 4.07Å; F59-I196 HydrophobicContact CZ-CG2 4.22Å; F59-F197 HydrophobicContact CE1-CD1 4.33Å; F59-F197 HydrophobicContact CZ-CD1 4.36Å; F59-P198 HydrophobicContact CB-CG 3.66Å; F59-P198 HydrophobicContact CD1-CG 4.41Å; F59-P198 HydrophobicContact CD2-CG 4.39Å; F59-P198 HydrophobicContact CG-CG 3.92Å
60L90.6Very high79.3Confident0 Ų041.4 Ų41.40%022%0.22CC..Hα-helixtrans-66.8-31.7-179.3-68.7168.4000112.9W56 N57 R62 F63 V116 I190 H250W56-L60 HydrophobicContact CE3-CD1 4.49Å; W56-L60 HydrophobicContact CE3-CG 4.38Å; W56-L60 VanDerWaalsContact O-CB 3.3Å; W56-L60 WeakPolarHBondContact O-CB 3.25Å; W56-L60 WeakPolarHBondContact O-CD1 3.32Å; W56-L60 WeakPolarHBondContact O-CG 3.23Å; W56-L60 PolarHBondContact O-N 3.41Å; N57-L60 PolarHBondContact O-N 3.08Å; L60-R62 PolarHBondContact O-N 3.43Å; L60-F63 PolarHBondContact O-N 3.29Å; L60-V116 HydrophobicContact CD1-CG1 3.81Å; L60-V116 HydrophobicContact CD2-CB 4.38Å; L60-V116 HydrophobicContact CD2-CG1 4.27Å; L60-V116 HydrophobicContact CD2-CG2 4.21Å; L60-I190 HydrophobicContact CD2-CD1 4.28Å; L60-H250 HydrophobicContact CB-CB 4.13Å
61L89.6Confident80.9Confident61 Ų6136.2 Ų36.232%0.31919%0.187SC..Hα-helixtrans-63.2-28.7176.1-79.7173.2000112.8N57 T58 F59 F63 N64 L252N57-L61 WeakPolarHBondContact O-CB 3.1Å; N57-L61 WeakPolarHBondContact O-CG 3.47Å; N57-L61 PolarHBondContact O-N 3.35Å; T58-L61 PolarHBondContact O-N 3.43Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 3.13Å; L61-F63 PolarHBondContact O-N 3.03Å; L61-N64 WeakPolarHBondContact CD2-ND2 3.19Å; L61-N64 WeakPolarHBondContact O-CB 3.44Å; L61-N64 PolarHBondContact O-N 2.86Å; L61-L252 HydrophobicContact CD1-CD2 3.85Å; L61-L252 HydrophobicContact CG-CD2 4.46Å
62R88.3Confident82.1Confident54 Ų5432.9 Ų32.920%0.20417%0.171CC..G310 helixtrans-64.7-24.1178.8-57.7-168.8179.1-169.6-7.6113.3E54 T58 F59 L60 N64 D65 V147 G148E54-R62 IonicContact OE1-CZ 3.27Å; E54-R62 VanDerWaalsContact OE1-CZ 3.29Å; E54-R62 IonicContact OE1-NH1 3.62Å; E54-R62 IonicContact OE1-NH2 3.79Å; E54-R62 PolarHBondContact OE1-NH2 2.95Å; E54-R62 IonicContact OE2-CZ 3.61Å; E54-R62 VanDerWaalsContact OE2-CZ 3.29Å; E54-R62 IonicContact OE2-NE 3.37Å; E54-R62 IonicContact OE2-NH1 2.93Å; E54-R62 IonicContact OE2-NH2 2.66Å; E54-R62 PolarHBondContact OE2-NH2 3.27Å; T58-R62 WeakPolarHBondContact O-CG 3.38Å; T58-R62 PolarHBondContact O-N 3.46Å; F59-R62 WeakPolarHBondContact O-CB 3.28Å; F59-R62 PolarHBondContact O-N 3.25Å; L60-R62 PolarHBondContact O-N 3.43Å; R62-N64 PolarHBondContact O-N 2.99Å; R62-D65 PolarHBondContact O-N 3.08Å; R62-V147 WeakPolarHBondContact CD-O 3.43Å; R62-V147 PolarHBondContact NH1-O 2.8Å; R62-V147 VanDerWaalsContact NH1-O 3.12Å; R62-G148 PolarHBondContact NH1-O 2.97Å
63F90.3Very high82.5Confident0 Ų036.8 Ų36.80%019%0.193CC..G310 helixtrans-73.1-15.9174.4-64.4-91000112.5F59 L60 L61 D65 L66 V147 I160 M188 I190 V248F59-F63 HydrophobicContact CD1-CE2 4.12Å; F59-F63 AromaticContact CE1-CE2 3.71Å; F59-F63 HydrophobicContact CE1-CE2 3.71Å; F59-F63 HydrophobicContact CE1-CZ 4.16Å; F59-F63 HydrophobicContact CE2-CE2 4.47Å; F59-F63 AromaticContact CZ-CE2 3.9Å; F59-F63 HydrophobicContact CZ-CE2 3.9Å; F59-F63 HydrophobicContact CZ-CZ 4.03Å; F59-F63 WeakPolarHBondContact O-CD2 3.21Å; L60-F63 PolarHBondContact O-N 3.29Å; L61-F63 PolarHBondContact O-N 3.03Å; F63-D65 PolarHBondContact O-N 3.44Å; F63-L66 HydrophobicContact CD1-CD1 3.98Å; F63-L66 PolarHBondContact O-N 2.98Å; F63-V147 HydrophobicContact CD1-CG1 3.98Å; F63-V147 HydrophobicContact CE1-CG1 3.64Å; F63-V147 HydrophobicContact CZ-CG1 3.96Å; F63-I160 HydrophobicContact CD1-CD1 3.87Å; F63-I160 HydrophobicContact CE1-CD1 3.57Å; F63-I160 HydrophobicContact CE1-CG1 4.29Å; F63-M188 HydrophobicContact CB-CE 4.48Å; F63-M188 HydrophobicContact CD1-CE 3.41Å; F63-M188 VanDerWaalsContact CD1-CE 3.41Å; F63-M188 HydrophobicContact CD2-CE 4.35Å; F63-M188 HydrophobicContact CE1-CE 3.57Å; F63-M188 HydrophobicContact CE2-CE 4.47Å; F63-M188 HydrophobicContact CG-CE 3.83Å; F63-M188 HydrophobicContact CZ-CE 4.11Å; F63-I190 HydrophobicContact CE2-CD1 4.04Å; F63-I190 HydrophobicContact CZ-CD1 3.86Å; F63-V248 HydrophobicContact CB-CG1 4.3Å
64N90Very high82.4Confident38 Ų3837.7 Ų37.720%0.20319%0.192CC..G310 helixtrans-69.2-25174.8-62.8-4.5000112.4L61 R62 L66 V248 Y249 H250L61-N64 WeakPolarHBondContact CD2-ND2 3.19Å; L61-N64 WeakPolarHBondContact O-CB 3.44Å; L61-N64 PolarHBondContact O-N 2.86Å; R62-N64 PolarHBondContact O-N 2.99Å; N64-L66 PolarHBondContact O-N 2.98Å; N64-V248 WeakPolarHBondContact CA-O 3.34Å; N64-V248 PolarHBondContact OD1-O 3.01Å; N64-Y249 WeakPolarHBondContact OD1-CA 3.27Å; N64-H250 PolarHBondContact OD1-N 2.85Å
65D87.9Confident81.8Confident84 Ų8436.7 Ų36.745%0.44919%0.19SC..G310 helixtrans-85.43.9-179.9-56.6-33.8000111.7R62 F63 S227R62-D65 PolarHBondContact O-N 3.08Å; F63-D65 PolarHBondContact O-N 3.44Å; D65-S227 WeakPolarHBondContact O-CB 3.15Å; D65-S227 PolarHBondContact O-N 3.47Å; D65-S227 PolarHBondContact O-OG 2.85Å
66L89.4Confident80.3Confident0 Ų039.9 Ų39.90%021%0.207CC..EExtended strand (participates in β ladder)trans-101.6131.7177.7-62.2-179.7000111.8F63 N64 F68 V142 Q146 V147 V224 R225F63-L66 HydrophobicContact CD1-CD1 3.98Å; F63-L66 PolarHBondContact O-N 2.98Å; N64-L66 PolarHBondContact O-N 2.98Å; L66-F68 HydrophobicContact CB-CE2 3.87Å; L66-F68 HydrophobicContact CB-CZ 4.13Å; L66-F68 HydrophobicContact CD1-CZ 4.3Å; L66-V142 HydrophobicContact CD1-CG1 4.3Å; L66-Q146 HydrophobicContact CD2-CB 4.2Å; L66-Q146 WeakPolarHBondContact CD2-O 3.45Å; L66-V147 HydrophobicContact CD1-CG1 3.68Å; L66-V224 HydrophobicContact CB-CG1 3.92Å; L66-V224 HydrophobicContact CD1-CG1 3.96Å; L66-V224 HydrophobicContact CD2-CG1 3.92Å; L66-V224 HydrophobicContact CG-CG1 4.16Å; L66-R225 WeakPolarHBondContact CA-O 3.17Å
67D90.4Very high78.3Confident22 Ų2248.3 Ų48.312%0.11824%0.244CC..EExtended strand (participates in β ladder)trans-100.2126.3167.5-72.9-24.4000109.5V224 R225 W239 I245 K247D67-V224 WeakPolarHBondContact O-CA 3.32Å; D67-R225 PolarHBondContact N-O 2.6Å; D67-R225 PolarHBondContact O-N 3.29Å; D67-W239 HydrophobicContact CB-CH2 3.63Å; D67-W239 HydrophobicContact CB-CZ2 3.73Å; D67-W239 WeakPolarHBondContact O-CH2 3.42Å; D67-I245 HydrophobicContact CB-CG2 4.33Å; D67-K247 WeakPolarHBondContact OD1-CG 3.44Å; D67-K247 IonicContact OD1-NZ 2.73Å; D67-K247 PolarHBondContact OD1-NZ 3.41Å; D67-K247 IonicContact OD2-NZ 3.63Å
68F90.3Very high76.2Confident4 Ų453.9 Ų53.92%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-99.9134.5176.5-60.5-96.9000108.9L66 A140 I160 F162 T223 V224 I245 G246 V248L66-F68 HydrophobicContact CB-CE2 3.87Å; L66-F68 HydrophobicContact CB-CZ 4.13Å; L66-F68 HydrophobicContact CD1-CZ 4.3Å; F68-A140 HydrophobicContact CD1-CB 3.85Å; F68-A140 HydrophobicContact CE1-CB 3.78Å; F68-I160 HydrophobicContact CE1-CD1 4.15Å; F68-I160 HydrophobicContact CZ-CD1 4.26Å; F68-F162 HydrophobicContact CD1-CE2 4.14Å; F68-F162 AromaticContact CE1-CE2 3.89Å; F68-F162 HydrophobicContact CE1-CE2 3.89Å; F68-F162 HydrophobicContact CE1-CZ 4.08Å; F68-F162 HydrophobicContact CE2-CZ 4.27Å; F68-F162 HydrophobicContact CZ-CE2 4.19Å; F68-F162 AromaticContact CZ-CZ 3.9Å; F68-F162 HydrophobicContact CZ-CZ 3.9Å; F68-T223 CarbonylContact C-O 3.59Å; F68-T223 WeakPolarHBondContact CA-O 3.42Å; F68-V224 HydrophobicContact CD1-CG1 4.46Å; F68-V224 HydrophobicContact CD1-CG2 3.44Å; F68-V224 VanDerWaalsContact CD1-CG2 3.44Å; F68-V224 HydrophobicContact CE1-CG1 4.23Å; F68-V224 HydrophobicContact CE1-CG2 3.55Å; F68-V224 HydrophobicContact CG-CG2 4.37Å; F68-I245 CarbonylContact O-C 3.13Å; F68-I245 WeakPolarHBondContact O-CA 3.48Å; F68-G246 PolarHBondContact N-O 3.43Å; F68-G246 PolarHBondContact O-N 3.31Å; F68-V248 HydrophobicContact CD2-CG2 4.02Å; F68-V248 HydrophobicContact CE2-CB 4.33Å; F68-V248 HydrophobicContact CE2-CG2 3.44Å; F68-V248 VanDerWaalsContact CE2-CG2 3.44Å; F68-V248 HydrophobicContact CZ-CG2 4.14Å
69C88.4Confident73.9Confident1 Ų154.6 Ų54.61%0.00729%0.285CS..EExtended strand (participates in β ladder)trans-105.5119.4171.1-178.20000110.9T222 T223 W239 C240C69-T222 WeakPolarHBondContact O-CA 3.33Å; C69-T222 VanDerWaalsContact O-CB 3.26Å; C69-T222 WeakPolarHBondContact O-CB 3.37Å; C69-T223 WeakPolarHBondContact CB-OG1 3.19Å; C69-T223 PolarHBondContact N-O 2.82Å; C69-T223 PolarHBondContact O-N 2.8Å; C69-W239 HydrophobicContact CB-CE3 3.89Å; C69-W239 HydrophobicContact CB-CH2 3.9Å; C69-W239 HydrophobicContact CB-CZ3 3.36Å; C69-C240 WeakPolarHBondContact CA-SG 3.48Å; C69-C240 HydrophobicContact CB-CB 3.57Å; C69-C240 WeakPolarHBondContact CB-SG 3.48Å; C69-C240 WeakPolarHBondContact SG-CA 3.26Å; C69-C240 WeakPolarHBondContact SG-CB 3.45Å; C69-C240 CovalentContact SG-SG 2.04Å; C69-C240 PolarHBondContact SG-SG 2.8Å
70V86.8Confident71.6Confident1 Ų162.5 Ų62.51%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-92.1115.5170.5-166.20000108.7L122 I135 L138 W168 V220 T222 G243 A244V70-L122 HydrophobicContact CG2-CD2 4.19Å; V70-I135 HydrophobicContact CG1-CD1 4.49Å; V70-L138 HydrophobicContact CG1-CD2 3.97Å; V70-L138 HydrophobicContact CG2-CD1 4.37Å; V70-L138 HydrophobicContact CG2-CD2 4.15Å; V70-W168 HydrophobicContact CB-CZ3 4.23Å; V70-W168 HydrophobicContact CG1-CZ3 4.04Å; V70-W168 HydrophobicContact CG2-CZ3 4.12Å; V70-V220 HydrophobicContact CG1-CB 4.19Å; V70-V220 HydrophobicContact CG1-CG1 3.59Å; V70-T222 HydrophobicContact CB-CG2 4.34Å; V70-T222 HydrophobicContact CG1-CG2 4.5Å; V70-T222 HydrophobicContact CG2-CG2 3.77Å; V70-G243 CarbonylContact O-C 3.57Å; V70-G243 WeakPolarHBondContact O-CA 3.13Å; V70-A244 HydrophobicContact CB-CB 4.45Å; V70-A244 PolarHBondContact N-O 3.43Å; V70-A244 PolarHBondContact O-N 3.48Å
71S77.2Confident69Low29 Ų2969.7 Ų69.720%0.20337%0.365CS..EExtended strand (participates in β ladder)trans-138.2157.1178.374.20000111.9N73S71-N73 VanDerWaalsContact C-N 3.26Å; S71-N73 PolarHBondContact O-N 3.03Å
72E67.7Low66.4Low113 Ų11374.1 Ų74.153%0.52838%0.384SS..EExtended strand (participates in β ladder)trans-68.5-19.5-171.5-167.9176.1-160.900114.4E74E72-E74 PolarHBondContact O-N 3.37Å
73N57.9Low63.8Low152 Ų15276.3 Ų76.381%0.81341%0.408SS*.EExtended strand (participates in β ladder)trans-64.7-12.4-166.6-79.8-4.3000115.3S71S71-N73 VanDerWaalsContact C-N 3.26Å; S71-N73 PolarHBondContact O-N 3.03Å
74E54.5Low61Low96 Ų9682 Ų8245%0.44944%0.443SS..EExtended strand (participates in β ladder)trans-13449.4-173.4-62.4-174.4-178.400112.2E72 I76 F221E72-E74 PolarHBondContact O-N 3.37Å; E74-I76 PolarHBondContact O-N 3.23Å; E74-F221 HydrophobicContact CB-CB 3.67Å; E74-F221 HydrophobicContact CB-CD2 4.28Å; E74-F221 HydrophobicContact CB-CG 4.24Å; E74-F221 HydrophobicContact CG-CB 4.5Å; E74-F221 WeakPolarHBondContact O-CD2 3.41Å; E74-F221 PolarHBondContact O-N 2.9Å; E74-F221 WeakPolarHBondContact OE2-CB 3.34Å
75T54.5Low58.1Low51 Ų5184.7 Ų84.731%0.31346%0.461SS..EExtended strand (participates in β ladder)trans-86.298.4172.148.30000110.6K77 V220T75-K77 PolarHBondContact O-N 2.86Å; T75-K77 VanDerWaalsContact O-N 3.11Å; T75-V220 HydrophobicContact CG2-CG2 4.2Å
76I46.8Very low55.5Low81 Ų8186.8 Ų86.842%0.41548%0.479SS..EExtended strand (participates in β ladder)trans-74.3104.5164.9-57.5-179.2000107.6E74 H78 F221E74-I76 PolarHBondContact O-N 3.23Å; I76-H78 VanDerWaalsContact C-N 3.29Å; I76-H78 WeakPolarHBondContact CG2-CD2 3.49Å; I76-H78 PolarHBondContact O-N 3.43Å; I76-F221 HydrophobicContact CB-CE2 4.21Å; I76-F221 HydrophobicContact CD1-CE2 3.45Å; I76-F221 VanDerWaalsContact CD1-CE2 3.45Å; I76-F221 HydrophobicContact CD1-CZ 3.54Å; I76-F221 HydrophobicContact CG1-CD2 4.45Å; I76-F221 HydrophobicContact CG1-CE2 3.59Å; I76-F221 HydrophobicContact CG1-CZ 4.21Å
77K42.2Very low52.5Low182 Ų18294.5 Ų94.579%0.79152%0.515SS*.  trans-6787.2163.5-64.7-179.6-178.6177.90108.5T75 G79T75-K77 PolarHBondContact O-N 2.86Å; T75-K77 VanDerWaalsContact O-N 3.11Å; K77-G79 VanDerWaalsContact C-N 3.26Å; K77-G79 PolarHBondContact O-N 3.45Å
78H42.4Very low49.7Very low117 Ų11798.5 Ų98.554%0.54255%0.545SS..  trans-7688.5161.6-88.1-83000108.5I76 E82I76-H78 VanDerWaalsContact C-N 3.29Å; I76-H78 WeakPolarHBondContact CG2-CD2 3.49Å; I76-H78 PolarHBondContact O-N 3.43Å; H78-E82 IonicContact CE1-OE2 3.04Å
79G37.5Very low46.8Very low59 Ų59105.8 Ų105.861%0.60858%0.583SS**  trans-125.7113.2164.700000108.9K77K77-G79 VanDerWaalsContact C-N 3.26Å; K77-G79 PolarHBondContact O-N 3.45Å
80L41.8Very low43.8Very low167 Ų167111.4 Ų111.487%0.87462%0.617SS**SBendtrans75.9111.9173.7-66.3139.8000116.7
81N35.7Very low41.1Very low151 Ų151117.3 Ų117.381%0.80765%0.653SS**  trans10749.6158.9-51.4-16.1000118.7
82E34Very low38.7Very low154 Ų154121.7 Ų121.772%0.7268%0.679SS**  trans-122.175.7147.1-105.2176.1162.100108.9H78 T84H78-E82 IonicContact CE1-OE2 3.04Å; E82-T84 VanDerWaalsContact C-N 3.3Å; E82-T84 PolarHBondContact O-N 3.4Å
83S33.7Very low36.8Very low100 Ų100122.1 Ų122.170%0.69969%0.694SS**  trans-83.381.2159.3166.50000107.3
84T32.1Very low35.3Very low120 Ų120118.6 Ų118.674%0.73669%0.694SS**  trans-95.485.515727.30000107.6E82E82-T84 VanDerWaalsContact C-N 3.3Å; E82-T84 PolarHBondContact O-N 3.4Å
85T28.3Very low34.1Very low95 Ų95123.4 Ų123.458%0.58372%0.716SS**  trans-46.9129157.937.10000110.1E87T85-E87 PolarHBondContact O-N 3Å; T85-E87 VanDerWaalsContact O-N 3.08Å
86P33.4Very low32.8Very low127 Ų127125.3 Ų125.383%0.82574%0.737SS**  trans-73.897.9161.428.1-26.9000107.1S88P86-S88 PolarHBondContact O-N 3.33Å
87E27.5Very low31.8Very low162 Ų162133.3 Ų133.376%0.75776%0.762SS**  trans-66102.1169.6-81-173.115000109.1T85 L89T85-E87 PolarHBondContact O-N 3Å; T85-E87 VanDerWaalsContact O-N 3.08Å; E87-L89 PolarHBondContact O-N 2.95Å
88S31.3Very low31.2Very low106 Ų106130.3 Ų130.374%0.74176%0.764SS**  trans-61.9113.5157-164.10000108.3P86P86-S88 PolarHBondContact O-N 3.33Å
89L28.3Very low30.4Very low158 Ų158130.5 Ų130.583%0.82778%0.778SS**  trans-121.990.8162.8-74.8173.4000108.9E87E87-L89 PolarHBondContact O-N 2.95Å
90V26.9Very low30.3Very low118 Ų118133.7 Ų133.772%0.71579%0.786SS**  trans-79.9143.9150.7176.60000107.7
91V29.3Very low29.8Very low126 Ų126134.8 Ų134.876%0.76479%0.787SS**  trans140.496.5146.3172.30000109.1
92T26.6Very low29.5Very low121 Ų121132.5 Ų132.574%0.74278%0.78SS**  96.5123.984.1-52.90000114
93S27.9Very low29.4Very low122 Ų122131 Ų13185%0.85378%0.784SS**  trans66.6121.2150.3-163.60000120.9
94G26.5Very low29.4Very low78 Ų78134.5 Ų134.580%0.80479%0.794SS**  trans178.291.8165.300000111.8
95Q30.1Very low29.6Very low197 Ų197136.6 Ų136.692%0.92180%0.799SS**  trans-81.1124.1-177.8-176.5173.9-2.800111.7
96A25.8Very low30.1Very low91 Ų91140 Ų14075%0.75281%0.813SS**  trans-177.2121.3143.500000115.1
97R26.9Very low30.4Very low249 Ų249142.4 Ų142.494%0.9481%0.813SS**  trans68.6102144.1-77.7-178.8172.7150.5-1.2122.6
98S28.3Very low31.3Very low118 Ų118142.3 Ų142.383%0.82582%0.818SS**  trans-5.6123.1134.7-175.90000119
99S27.2Very low32.6Very low121 Ų121140.4 Ų140.485%0.84681%0.805SS**  trans-158.5136.2135.2-171.30000111.2
100T35.3Very low34.8Very low127 Ų127135.1 Ų135.178%0.77979%0.789SS**  trans-72.9136.5-171-31.50000113.9
101Q30.3Very low37.5Very low189 Ų189134.2 Ų134.288%0.88379%0.785SS**  trans-168162.2152.6-110.2170.9-26.500111.4
102P29.1Very low40.4Very low104 Ų104131 Ų13168%0.67576%0.763SS**  -98.6-175.9-126.144.5-33000112.8L104P102-L104 PolarHBondContact O-N 2.93Å
103P33.7Very low43.4Very low122 Ų122129.8 Ų129.879%0.79275%0.752SS**PPolyproline II helixtrans-67.1123.2-15629.7-30.9000111.2L105P103-L105 PolarHBondContact O-N 3.27Å
104L33.7Very low46.4Very low173 Ų173124.6 Ų124.691%0.90672%0.715SS**PPolyproline II helixtrans-62.8118.9170-73.6163.9000108.1P102P102-L104 PolarHBondContact O-N 2.93Å
105L34.4Very low49.5Very low164 Ų164121.7 Ų121.786%0.85968%0.682SS**PPolyproline II helixtrans-51139.1164.8-75.9163000109.4P103 E107P103-L105 PolarHBondContact O-N 3.27Å; L105-E107 PolarHBondContact O-N 3.39Å
106L39.4Very low52.4Low166 Ų166112.6 Ų112.687%0.86964%0.64SS**  trans-8.4114.7172.7-103.477.1000113.8D108L106-D108 PolarHBondContact O-N 3Å
107E39.8Very low55.5Low178 Ų178111.6 Ų111.683%0.83263%0.627SS**  trans-49.5110.3158-87.2154.1125.800108.5L105 S109L105-E107 PolarHBondContact O-N 3.39Å; E107-S109 PolarHBondContact O-N 3.41Å; E107-S109 PolarHBondContact O-OG 3.36Å
108D46.3Very low58.6Low161 Ų161100 Ų10086%0.86158%0.584SS**  trans-60.692.5164.7-17028.3000106.2L106 G110L106-D108 PolarHBondContact O-N 3Å; D108-G110 PolarHBondContact O-N 3.04Å; D108-G110 VanDerWaalsContact O-N 3.15Å
109S58.7Low61.7Low66 Ų6696.7 Ų96.746%0.46256%0.559SS.*  trans-67.9115.4-175.8-60.40000105.7E107E107-S109 PolarHBondContact O-N 3.41Å; E107-S109 PolarHBondContact O-OG 3.36Å
110G74.1Confident64.8Low47 Ų4791 Ų9149%0.48552%0.519SS..  trans-53.6174.4177.900000112.8D108 I112D108-G110 PolarHBondContact O-N 3.04Å; D108-G110 VanDerWaalsContact O-N 3.15Å; G110-I112 PolarHBondContact O-N 2.97Å
111P84.8Confident67.6Low98 Ų9885.4 Ų85.464%0.63649%0.485SS*.  trans-55.6133.1-174.423.6-33.6000111.6T191 A192P111-T191 HydrophobicContact CB-CG2 4.05Å; P111-A192 CarbonylContact C-O 3.55Å; P111-A192 WeakPolarHBondContact CA-O 3.46Å
112I89.3Confident70.5Confident58 Ų5876.5 Ų76.530%0.29744%0.443SS..EExtended strand (participates in β ladder)trans-103.3147.5178.169.4172.9000110.5G110 I114 T191 A192 F197G110-I112 PolarHBondContact O-N 2.97Å; I112-I114 HydrophobicContact CD1-CD1 4.35Å; I112-T191 WeakPolarHBondContact O-CA 3.42Å; I112-A192 PolarHBondContact N-O 3.21Å; I112-A192 PolarHBondContact O-N 2.97Å; I112-A192 VanDerWaalsContact O-N 3.16Å; I112-F197 HydrophobicContact CD1-CD2 3.44Å; I112-F197 VanDerWaalsContact CD1-CD2 3.44Å; I112-F197 HydrophobicContact CD1-CE2 3.81Å; I112-F197 HydrophobicContact CD1-CG 4.21Å; I112-F197 HydrophobicContact CG1-CD2 3.47Å; I112-F197 VanDerWaalsContact CG1-CD2 3.47Å; I112-F197 HydrophobicContact CG1-CE2 3.26Å; I112-F197 HydrophobicContact CG1-CZ 4.23Å
113N90.3Very high73.4Confident97 Ų9774.8 Ų74.852%0.51943%0.428SS..EExtended strand (participates in β ladder)trans-113.2121.9-175-58.2-3.3000110T189 I190 T191N113-T189 HydrophobicContact CB-CG2 4.33Å; N113-I190 CarbonylContact C-O 3.52Å; N113-I190 WeakPolarHBondContact CA-O 3.32Å; N113-T191 WeakPolarHBondContact OD1-CG2 3.45Å; N113-T191 PolarHBondContact OD1-OG1 3.49Å
114I89.9Confident76Confident13 Ų1369.5 Ų69.57%0.06739%0.394CS..EExtended strand (participates in β ladder)trans-121.3124.8-179.4-51.9-67.8000109.6W56 I112 V116 T189 I190 F197 Q202 P203W56-I114 HydrophobicContact CH2-CB 4.16Å; W56-I114 HydrophobicContact CH2-CG1 4.06Å; W56-I114 HydrophobicContact CH2-CG2 3.59Å; W56-I114 HydrophobicContact CZ2-CG2 4.4Å; W56-I114 HydrophobicContact CZ3-CG2 3.99Å; I112-I114 HydrophobicContact CD1-CD1 4.35Å; I114-V116 HydrophobicContact CG2-CG2 4.07Å; I114-T189 CarbonylContact O-C 3.58Å; I114-T189 WeakPolarHBondContact O-CA 3.44Å; I114-I190 PolarHBondContact N-O 2.95Å; I114-I190 PolarHBondContact O-N 3.27Å; I114-F197 HydrophobicContact CB-CE1 4.02Å; I114-F197 HydrophobicContact CB-CZ 4.44Å; I114-F197 HydrophobicContact CG1-CD1 3.9Å; I114-F197 HydrophobicContact CG1-CE1 3.63Å; I114-F197 HydrophobicContact CG1-CE2 4.31Å; I114-F197 HydrophobicContact CG1-CG 4.3Å; I114-F197 HydrophobicContact CG1-CZ 3.84Å; I114-Q202 HydrophobicContact CG2-CG 4.28Å; I114-P203 HydrophobicContact CG2-CG 4.42Å
115S91.3Very high78.4Confident16 Ų1663.5 Ų63.511%0.11236%0.364CS..EExtended strand (participates in β ladder)trans-106.3124.6-178.5600000111M188 H205 C206S115-M188 CarbonylContact C-O 3.35Å; S115-M188 WeakPolarHBondContact CA-O 3.45Å; S115-H205 PolarHBondContact OG-ND1 3.16Å; S115-C206 PolarHBondContact OG-O 3.15Å
116V91.8Very high80.6Confident6 Ų664.4 Ų64.44%0.03636%0.356CS..EExtended strand (participates in β ladder)trans-131.3137.3-178-169.40000110.9L60 I114 I118 M188 P203 C206L60-V116 HydrophobicContact CD1-CG1 3.81Å; L60-V116 HydrophobicContact CD2-CB 4.38Å; L60-V116 HydrophobicContact CD2-CG1 4.27Å; L60-V116 HydrophobicContact CD2-CG2 4.21Å; I114-V116 HydrophobicContact CG2-CG2 4.07Å; V116-I118 PolarHBondContact O-N 2.94Å; V116-M188 PolarHBondContact N-O 3.45Å; V116-M188 PolarHBondContact O-N 3.3Å; V116-P203 HydrophobicContact CB-CG 4.43Å; V116-P203 HydrophobicContact CG1-CB 3.95Å; V116-P203 HydrophobicContact CG1-CG 4.22Å; V116-P203 HydrophobicContact CG2-CB 3.99Å; V116-P203 HydrophobicContact CG2-CG 3.41Å; V116-P203 VanDerWaalsContact CG2-CG 3.41Å; V116-C206 PolarHBondContact N-SG 2.98Å; V116-C206 VanDerWaalsContact N-SG 3.38Å; V116-C206 PolarHBondContact O-SG 3.32Å; V116-C206 VanDerWaalsContact O-SG 3.34Å
117S90.8Very high82.4Confident70 Ų7060 Ų6049%0.4934%0.337SS..EExtended strand (participates in β ladder)trans-72.1124173.6-177.10000110C206S117-C206 PolarHBondContact N-SG 3.2Å
118I92Very high84.3Confident5 Ų553 Ų533%0.02630%0.304CS..EExtended strand (participates in β ladder)trans-144.1152.4-178.2-154155.6000112.2V116 F162 T186 M188 V248 Y249 H250V116-I118 PolarHBondContact O-N 2.94Å; I118-F162 HydrophobicContact CG2-CD1 4.41Å; I118-F162 HydrophobicContact CG2-CE1 4.25Å; I118-T186 PolarHBondContact N-O 3.24Å; I118-T186 PolarHBondContact O-N 2.04Å; I118-T186 PolarHBondContact O-OG1 3.13Å; I118-M188 HydrophobicContact CB-CB 4.47Å; I118-M188 HydrophobicContact CD1-SD 4.04Å; I118-M188 HydrophobicContact CG2-CB 3.57Å; I118-M188 HydrophobicContact CG2-CG 4.41Å; I118-M188 HydrophobicContact CG2-SD 4.12Å; I118-V248 HydrophobicContact CD1-CG1 3.13Å; I118-V248 HydrophobicContact CG1-CG1 3.53Å; I118-V248 HydrophobicContact CG2-CG1 4.21Å; I118-Y249 WeakPolarHBondContact CG1-O 3.47Å; I118-H250 HydrophobicContact CD1-CB 4Å; I118-H250 HydrophobicContact CG1-CB 4.37Å
119T93.8Very high85.5Confident50 Ų5047.2 Ų47.231%0.30728%0.282SS..EExtended strand (participates in β ladder)trans-86.7129.4175.8-55.70000109.5V183 F184 V248 Y249T119-V183 HydrophobicContact CG2-CG1 3.67Å; T119-F184 CarbonylContact C-O 3.55Å; T119-F184 WeakPolarHBondContact CA-O 3.25Å; T119-V248 CarbonylContact O-C 3.55Å; T119-V248 WeakPolarHBondContact O-CA 3.24Å; T119-Y249 WeakPolarHBondContact CB-O 3.44Å; T119-Y249 PolarHBondContact N-O 3.49Å; T119-Y249 VanDerWaalsContact N-O 3.16Å; T119-Y249 PolarHBondContact O-N 3.2Å
120L93Very high86.1Confident2 Ų244.5 Ų44.51%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-120.2125.3176176.370.1000109L122 L138 F162 L164 F184 T186 K247 V248L120-L122 HydrophobicContact CD1-CD2 4.18Å; L120-L122 HydrophobicContact CD2-CD1 4.42Å; L120-L122 HydrophobicContact CD2-CD2 4.05Å; L120-L122 HydrophobicContact CD2-CG 4.33Å; L120-L122 HydrophobicContact CG-CD2 4.04Å; L120-L122 HydrophobicContact CG-CG 4.28Å; L120-L138 HydrophobicContact CD2-CD1 3.75Å; L120-F162 HydrophobicContact CD2-CB 4.22Å; L120-F162 HydrophobicContact CD2-CD1 4.35Å; L120-F162 HydrophobicContact CD2-CG 4.18Å; L120-L164 HydrophobicContact CD2-CD2 3.94Å; L120-F184 PolarHBondContact N-O 3.39Å; L120-F184 PolarHBondContact O-N 3.39Å; L120-T186 HydrophobicContact CB-CG2 3.91Å; L120-T186 HydrophobicContact CD2-CG2 4.19Å; L120-K247 WeakPolarHBondContact CA-O 3.4Å; L120-V248 HydrophobicContact CD1-CG2 3.91Å
121T93.1Very high86Confident9 Ų942.9 Ų42.96%0.05524%0.244CC..EExtended strand (participates in β ladder)trans-106.1135171.865.60000109.6V182 V183 G246 K247 Y249T121-V182 CarbonylContact C-O 3.5Å; T121-V182 VanDerWaalsContact CA-O 3.28Å; T121-V182 WeakPolarHBondContact CA-O 3.4Å; T121-V183 HydrophobicContact CG2-CG1 4.19Å; T121-V183 HydrophobicContact CG2-CG2 3.99Å; T121-G246 CarbonylContact O-C 3.52Å; T121-G246 WeakPolarHBondContact O-CA 3.46Å; T121-K247 PolarHBondContact N-O 3.22Å; T121-K247 PolarHBondContact O-N 3.39Å; T121-K247 WeakPolarHBondContact OG1-CB 3.49Å; T121-K247 PolarHBondContact OG1-O 3.41Å; T121-Y249 HydrophobicContact CG2-CD2 3.86Å; T121-Y249 HydrophobicContact CG2-CE2 3.64Å
122L90.8Very high85.2Confident1 Ų139.8 Ų39.81%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-119.4122.1176.1-55.4170.9000109.2V70 L120 L138 W168 Q181 V182 F184 I245V70-L122 HydrophobicContact CG2-CD2 4.19Å; L120-L122 HydrophobicContact CD1-CD2 4.18Å; L120-L122 HydrophobicContact CD2-CD1 4.42Å; L120-L122 HydrophobicContact CD2-CD2 4.05Å; L120-L122 HydrophobicContact CD2-CG 4.33Å; L120-L122 HydrophobicContact CG-CD2 4.04Å; L120-L122 HydrophobicContact CG-CG 4.28Å; L122-L138 HydrophobicContact CD1-CD1 4.04Å; L122-L138 HydrophobicContact CD2-CD1 4.06Å; L122-W168 HydrophobicContact CB-CH2 3.57Å; L122-W168 HydrophobicContact CB-CZ2 3.51Å; L122-W168 HydrophobicContact CB-CZ3 4.26Å; L122-W168 HydrophobicContact CD1-CD2 3.57Å; L122-W168 HydrophobicContact CD1-CE3 3.33Å; L122-W168 HydrophobicContact CD1-CG 4.36Å; L122-W168 HydrophobicContact CD1-CH2 3.58Å; L122-W168 HydrophobicContact CD1-CZ2 3.84Å; L122-W168 HydrophobicContact CD1-CZ3 3.35Å; L122-W168 HydrophobicContact CD2-CH2 4.37Å; L122-W168 HydrophobicContact CD2-CZ3 4.42Å; L122-W168 HydrophobicContact CG-CH2 4.02Å; L122-W168 HydrophobicContact CG-CZ2 4.26Å; L122-W168 HydrophobicContact CG-CZ3 4.2Å; L122-Q181 WeakPolarHBondContact O-CA 3.48Å; L122-V182 HydrophobicContact CB-CG2 3.77Å; L122-V182 HydrophobicContact CD1-CG2 4.46Å; L122-V182 HydrophobicContact CG-CG2 4.48Å; L122-V182 PolarHBondContact N-O 2.89Å; L122-V182 PolarHBondContact O-N 2.84Å; L122-F184 HydrophobicContact CD1-CD2 3.96Å; L122-F184 HydrophobicContact CD1-CE2 3.64Å; L122-F184 HydrophobicContact CG-CD2 4.45Å; L122-F184 HydrophobicContact CG-CE2 4.4Å; L122-I245 WeakPolarHBondContact CA-O 3.48Å
123D90.3Very high84.5Confident68 Ų6843.3 Ų43.336%0.36423%0.234SC..EExtended strand (participates in β ladder)trans-118.5104.9-175.4-172.616.1000111V125 Q181 A244 I245D123-V125 PolarHBondContact O-N 2.95Å; D123-Q181 HydrophobicContact CB-CG 4.33Å; D123-A244 CarbonylContact O-C 3.55Å; D123-A244 VanDerWaalsContact O-CA 3.3Å; D123-A244 WeakPolarHBondContact O-CA 3.28Å; D123-I245 PolarHBondContact N-O 2.87Å; D123-I245 PolarHBondContact O-N 3.24Å
124P88.8Confident84Confident12 Ų1242.2 Ų42.28%0.07823%0.229CC..EExtended strand (participates in β ladder)trans-66.4121.1179.5-17.530.4000112.6F128 C179P124-F128 HydrophobicContact CB-CD1 4.47Å; P124-F128 HydrophobicContact CB-CD2 3.84Å; P124-F128 HydrophobicContact CB-CE2 4.03Å; P124-F128 HydrophobicContact CB-CG 4.08Å; P124-F128 HydrophobicContact CB-CZ 4.37Å; P124-C179 HydrophobicContact CB-CB 4.17Å
125V83.4Confident83.6Confident46 Ų4641.6 Ų41.628%0.27923%0.226SC..PPolyproline II helixtrans-86.5134.4-177.7-1750000110.7D123 P127 F128 G243 I245D123-V125 PolarHBondContact O-N 2.95Å; V125-P127 CarbonylContact O-C 3.56Å; V125-P127 VanDerWaalsContact O-O 3.14Å; V125-F128 VanDerWaalsContact O-CA 3.22Å; V125-F128 WeakPolarHBondContact O-CA 3.4Å; V125-F128 WeakPolarHBondContact O-CB 3.29Å; V125-F128 PolarHBondContact O-N 3.03Å; V125-G243 PolarHBondContact N-O 3.08Å; V125-I245 HydrophobicContact CG2-CD1 3.54Å; V125-I245 HydrophobicContact CG2-CG1 3.65Å
126R80Confident83.2Confident184 Ų18441.6 Ų41.669%0.69423%0.225SC*.SBendtrans-86.1136.7177.2-59.9-175.6-169.4-158.8-0.2111.6
127P78.4Confident82.9Confident72 Ų7242.7 Ų42.747%0.46823%0.23SC..SBendcis-71.1135-5.630.5-33.3000110.1V125 Y241 K242V125-P127 CarbonylContact O-C 3.56Å; V125-P127 VanDerWaalsContact O-O 3.14Å; P127-Y241 HydrophobicContact CG-CE2 4Å; P127-K242 HydrophobicContact CG-CG 4.3Å; P127-K242 WeakPolarHBondContact O-CA 3.49Å; P127-K242 VanDerWaalsContact O-CG 3.24Å; P127-K242 WeakPolarHBondContact O-CG 3.2Å
128F78.6Confident82.7Confident32 Ų3239.5 Ų39.514%0.1421%0.207CC..PPolyproline II helixtrans-94.5130.4-178.4-178.5-116.1000110.3P124 V125 Y131 C173 V174 G243 A244P124-F128 HydrophobicContact CB-CD1 4.47Å; P124-F128 HydrophobicContact CB-CD2 3.84Å; P124-F128 HydrophobicContact CB-CE2 4.03Å; P124-F128 HydrophobicContact CB-CG 4.08Å; P124-F128 HydrophobicContact CB-CZ 4.37Å; V125-F128 VanDerWaalsContact O-CA 3.22Å; V125-F128 WeakPolarHBondContact O-CA 3.4Å; V125-F128 WeakPolarHBondContact O-CB 3.29Å; V125-F128 PolarHBondContact O-N 3.03Å; F128-Y131 HydrophobicContact CE1-CE1 4.41Å; F128-Y131 HydrophobicContact CE2-CD1 4.14Å; F128-Y131 HydrophobicContact CE2-CE1 4.24Å; F128-Y131 AromaticContact CZ-CD1 3.52Å; F128-Y131 HydrophobicContact CZ-CD1 3.52Å; F128-Y131 AromaticContact CZ-CE1 3.47Å; F128-Y131 HydrophobicContact CZ-CE1 3.47Å; F128-Y131 VanDerWaalsContact CZ-CE1 3.47Å; F128-C173 HydrophobicContact CD1-CB 4.13Å; F128-C173 WeakPolarHBondContact CD1-SG 3.36Å; F128-C173 HydrophobicContact CE1-CB 4.26Å; F128-V174 HydrophobicContact CD1-CG2 3.89Å; F128-V174 HydrophobicContact CE1-CG2 3.99Å; F128-G243 WeakPolarHBondContact CD2-O 3.33Å; F128-A244 HydrophobicContact CE2-CB 4.15Å
129G72.6Confident82.5Confident39 Ų3940.9 Ų40.940%0.40221%0.212SC..  trans-85.7-15-175.500000114.5K242G129-K242 PolarHBondContact N-O 2.91Å
130G71.8Confident82.3Confident9 Ų938.5 Ų38.59%0.09320%0.198CC..  trans82.6167.5-169.100000112.6
131Y72.1Confident82.1Confident14 Ų1441.1 Ų41.16%0.05521%0.214CC..  trans-145.5-178.5173.151.3-117.4000109.9F128 I135 W168 N169 S170F128-Y131 HydrophobicContact CE1-CE1 4.41Å; F128-Y131 HydrophobicContact CE2-CD1 4.14Å; F128-Y131 HydrophobicContact CE2-CE1 4.24Å; F128-Y131 AromaticContact CZ-CD1 3.52Å; F128-Y131 HydrophobicContact CZ-CD1 3.52Å; F128-Y131 AromaticContact CZ-CE1 3.47Å; F128-Y131 HydrophobicContact CZ-CE1 3.47Å; F128-Y131 VanDerWaalsContact CZ-CE1 3.47Å; Y131-I135 HydrophobicContact CD1-CD1 4.28Å; Y131-I135 HydrophobicContact CD2-CD1 3.17Å; Y131-I135 HydrophobicContact CD2-CG1 3.95Å; Y131-I135 HydrophobicContact CE2-CD1 3.48Å; Y131-I135 VanDerWaalsContact CE2-CD1 3.48Å; Y131-I135 HydrophobicContact CE2-CG1 4.12Å; Y131-I135 HydrophobicContact CG-CD1 3.65Å; Y131-W168 HydrophobicContact CD1-CH2 4.24Å; Y131-W168 HydrophobicContact CD1-CZ3 4.14Å; Y131-W168 HydrophobicContact CE1-CD2 4.07Å; Y131-W168 AromaticContact CE1-CE2 3.92Å; Y131-W168 AromaticContact CE1-CE3 3.81Å; Y131-W168 HydrophobicContact CE1-CE3 3.81Å; Y131-W168 AromaticContact CE1-CH2 3.32Å; Y131-W168 HydrophobicContact CE1-CH2 3.32Å; Y131-W168 AromaticContact CE1-CZ2 3.57Å; Y131-W168 HydrophobicContact CE1-CZ2 3.57Å; Y131-W168 AromaticContact CE1-CZ3 3.42Å; Y131-W168 HydrophobicContact CE1-CZ3 3.42Å; Y131-W168 VanDerWaalsContact CE1-CZ3 3.42Å; Y131-W168 HydrophobicContact CE2-CD2 4.21Å; Y131-W168 HydrophobicContact CE2-CE3 4.12Å; Y131-W168 HydrophobicContact CE2-CZ3 4.5Å; Y131-W168 AromaticContact CZ-CD2 3.49Å; Y131-W168 VanDerWaalsContact CZ-CD2 3.49Å; Y131-W168 AromaticContact CZ-CE2 3.57Å; Y131-W168 AromaticContact CZ-CE3 3.53Å; Y131-W168 AromaticContact CZ-CH2 3.81Å; Y131-W168 AromaticContact CZ-CZ2 3.74Å; Y131-W168 AromaticContact CZ-CZ3 3.69Å; Y131-W168 VanDerWaalsContact OH-CZ2 3.28Å; Y131-W168 WeakPolarHBondContact OH-CZ2 3.39Å; Y131-W168 PolarHBondContact OH-NE1 3.32Å; Y131-N169 PolarHBondContact OH-O 3.27Å; Y131-S170 WeakPolarHBondContact CD2-OG 3.38Å; Y131-S170 VanDerWaalsContact CE2-N 3.28Å; Y131-S170 PolarHBondContact N-OG 2.95Å; Y131-S170 PolarHBondContact O-OG 2.78Å; Y131-S170 VanDerWaalsContact O-OG 3.1Å; Y131-S170 WeakPolarHBondContact OH-CA 3.44Å; Y131-S170 PolarHBondContact OH-N 3.39Å; Y131-S170 VanDerWaalsContact OH-N 3.14Å
132S67Low82Confident32 Ų3240.7 Ų40.722%0.22421%0.211CC..  trans-63.5134.3178.8-158.50000112.3I135S132-I135 WeakPolarHBondContact O-CG1 3.14Å
133R75.6Confident81.9Confident132 Ų13243.4 Ų43.450%0.49823%0.225SC..SBendtrans-64.6150.9179.1-61.9179178.1-170.2-10.5111.3D171R133-D171 VanDerWaalsContact CD-OD2 3.3Å; R133-D171 WeakPolarHBondContact CD-OD2 3.41Å; R133-D171 VanDerWaalsContact CZ-CG 3.4Å; R133-D171 IonicContact CZ-OD1 3.71Å; R133-D171 IonicContact CZ-OD2 3.29Å; R133-D171 IonicContact NE-OD1 3.29Å; R133-D171 PolarHBondContact NE-OD1 2.92Å; R133-D171 IonicContact NE-OD2 2.6Å; R133-D171 PolarHBondContact NE-OD2 3.32Å; R133-D171 IonicContact NH1-OD2 3.29Å; R133-D171 VanDerWaalsContact NH2-CG 3.3Å; R133-D171 IonicContact NH2-OD1 2.75Å; R133-D171 PolarHBondContact NH2-OD1 2.56Å; R133-D171 IonicContact NH2-OD2 3.07Å; R133-D171 PolarHBondContact NH2-OD2 2.93Å
134N79.1Confident81.8Confident75 Ų7540.2 Ų40.240%0.40121%0.208SC..SBendtrans65.842.8174.2-53.3-29.6000114.6T136 W168 Y218N134-T136 PolarHBondContact O-N 3.17Å; N134-W168 PolarHBondContact N-O 3.4Å; N134-Y218 HydrophobicContact CB-CD2 4.09Å; N134-Y218 HydrophobicContact CB-CE2 4.12Å; N134-Y218 WeakPolarHBondContact O-CD2 3.22Å
135I81.1Confident81.7Confident0 Ų045.2 Ų45.20%023%0.23CC..EExtended strand (participates in β ladder)trans-62.2127175-58.2179.3000109.3V70 Y131 S132 L138 L164 S167 W168 V220V70-I135 HydrophobicContact CG1-CD1 4.49Å; Y131-I135 HydrophobicContact CD1-CD1 4.28Å; Y131-I135 HydrophobicContact CD2-CD1 3.17Å; Y131-I135 HydrophobicContact CD2-CG1 3.95Å; Y131-I135 HydrophobicContact CE2-CD1 3.48Å; Y131-I135 VanDerWaalsContact CE2-CD1 3.48Å; Y131-I135 HydrophobicContact CE2-CG1 4.12Å; Y131-I135 HydrophobicContact CG-CD1 3.65Å; S132-I135 WeakPolarHBondContact O-CG1 3.14Å; I135-L138 HydrophobicContact CG2-CD2 3.66Å; I135-L138 HydrophobicContact CG2-CG 4.26Å; I135-L164 HydrophobicContact CG2-CD1 4.28Å; I135-S167 CarbonylContact O-C 3.5Å; I135-S167 VanDerWaalsContact O-CA 3.29Å; I135-S167 WeakPolarHBondContact O-CA 3.47Å; I135-W168 HydrophobicContact CB-CB 4.38Å; I135-W168 HydrophobicContact CD1-CE3 3.99Å; I135-W168 HydrophobicContact CD1-CZ3 4.39Å; I135-W168 PolarHBondContact N-O 3.18Å; I135-W168 PolarHBondContact O-N 3.12Å; I135-V220 HydrophobicContact CD1-CG2 3.55Å; I135-V220 HydrophobicContact CG1-CG2 3.88Å; I135-V220 HydrophobicContact CG2-CG2 4.17Å
136T83.1Confident81.8Confident16 Ų1645.5 Ų45.510%0.09823%0.229CC..EExtended strand (participates in β ladder)trans-118.1-24.1175.949.20000112.4N134 L164 Y218N134-T136 PolarHBondContact O-N 3.17Å; T136-L164 PolarHBondContact O-N 2.84Å; T136-Y218 PolarHBondContact N-O 2.91Å
137H85.5Confident82.1Confident29 Ų2936.9 Ų36.913%0.13420%0.196CC..EExtended strand (participates in β ladder)trans-132.1130-177.7-6277.2000110.4F162 W217 Y218 K219 V220H137-F162 VanDerWaalsContact CA-O 3.32Å; H137-F162 WeakPolarHBondContact CA-O 3.16Å; H137-W217 AromaticContact CE1-CD1 3.48Å; H137-W217 VanDerWaalsContact CE1-CD1 3.48Å; H137-W217 AromaticContact CE1-CG 3.71Å; H137-W217 AromaticContact CE1-NE1 3.93Å; H137-W217 AromaticContact ND1-CD1 3.93Å; H137-W217 AromaticContact ND1-CG 3.89Å; H137-Y218 PolarHBondContact N-O 3.28Å; H137-Y218 VanDerWaalsContact O-O 3.08Å; H137-K219 WeakPolarHBondContact O-CA 2.93Å; H137-V220 PolarHBondContact O-N 3.46Å; H137-V220 VanDerWaalsContact O-N 3.15Å
138L87.1Confident82.4Confident2 Ų235.2 Ų35.21%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-109.9132.3169.8-60171.6000108.2V70 L120 L122 I135 T161 F162 L164 V220 T222V70-L138 HydrophobicContact CG1-CD2 3.97Å; V70-L138 HydrophobicContact CG2-CD1 4.37Å; V70-L138 HydrophobicContact CG2-CD2 4.15Å; L120-L138 HydrophobicContact CD2-CD1 3.75Å; L122-L138 HydrophobicContact CD1-CD1 4.04Å; L122-L138 HydrophobicContact CD2-CD1 4.06Å; I135-L138 HydrophobicContact CG2-CD2 3.66Å; I135-L138 HydrophobicContact CG2-CG 4.26Å; L138-T161 CarbonylContact O-C 3.58Å; L138-T161 WeakPolarHBondContact O-CA 3.39Å; L138-F162 HydrophobicContact CB-CB 4.2Å; L138-F162 HydrophobicContact CB-CD2 4.08Å; L138-F162 PolarHBondContact N-O 3.21Å; L138-F162 PolarHBondContact O-N 2.87Å; L138-L164 HydrophobicContact CD1-CD2 4.42Å; L138-V220 HydrophobicContact CD2-CB 4.01Å; L138-T222 HydrophobicContact CB-CG2 4.32Å; L138-T222 HydrophobicContact CD2-CG2 4.33Å
139Y88.2Confident82.8Confident34 Ų3434.7 Ų34.713%0.13319%0.191CC..EExtended strand (participates in β ladder)trans-119.6136-177.9-176.8-88.8000110.2T141 N159 I160 T161 V220 F221 T222Y139-T141 WeakPolarHBondContact CE1-OG1 3.37Å; Y139-N159 HydrophobicContact CE2-CB 4.25Å; Y139-N159 PolarHBondContact OH-ND2 3.19Å; Y139-N159 PolarHBondContact OH-OD1 3.21Å; Y139-I160 CarbonylContact C-O 3.55Å; Y139-I160 WeakPolarHBondContact CA-O 3.07Å; Y139-T161 WeakPolarHBondContact CD2-OG1 3.45Å; Y139-V220 PolarHBondContact N-O 2.9Å; Y139-F221 AromaticContact CD1-CD1 3.36Å; Y139-F221 HydrophobicContact CD1-CD1 3.36Å; Y139-F221 AromaticContact CD1-CE1 3.36Å; Y139-F221 HydrophobicContact CD1-CE1 3.36Å; Y139-F221 HydrophobicContact CD1-CG 4.22Å; Y139-F221 HydrophobicContact CD1-CZ 4.24Å; Y139-F221 AromaticContact CE1-CD1 3.89Å; Y139-F221 HydrophobicContact CE1-CD1 3.89Å; Y139-F221 AromaticContact CE1-CE1 3.6Å; Y139-F221 HydrophobicContact CE1-CE1 3.6Å; Y139-F221 HydrophobicContact CG-CD1 4.32Å; Y139-F221 HydrophobicContact CG-CE1 4.22Å; Y139-F221 CarbonylContact O-C 3.56Å; Y139-F221 VanDerWaalsContact O-CA 3.27Å; Y139-F221 WeakPolarHBondContact O-CA 3.3Å; Y139-T222 PolarHBondContact O-N 2.78Å; Y139-T222 PolarHBondContact O-OG1 3.12Å
140A89.1Confident83.4Confident1 Ų137.4 Ų37.41%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-137148.8176.100000109.6F68 I160 T222 V224F68-A140 HydrophobicContact CD1-CB 3.85Å; F68-A140 HydrophobicContact CE1-CB 3.78Å; A140-I160 HydrophobicContact CB-CB 4.26Å; A140-I160 PolarHBondContact N-O 2.96Å; A140-I160 PolarHBondContact O-N 3.19Å; A140-T222 WeakPolarHBondContact CB-OG1 3.48Å; A140-V224 HydrophobicContact CB-CG2 3.7Å
141T89.1Confident84.1Confident56 Ų5639.7 Ų39.734%0.34423%0.228SC..EExtended strand (participates in β ladder)trans-116.6128.4165.4-61.40000107.2Y139 E157 I158 N159Y139-T141 WeakPolarHBondContact CE1-OG1 3.37Å; T141-E157 HydrophobicContact CG2-CB 4.08Å; T141-E157 HydrophobicContact CG2-CG 4.28Å; T141-I158 WeakPolarHBondContact CA-O 3.35Å; T141-N159 WeakPolarHBondContact CG2-OD1 3.16Å; T141-N159 PolarHBondContact OG1-OD1 3.43Å
142V90.4Very high84.7Confident1 Ų147.8 Ų47.81%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-123.4147.7178.3-53.60000109.6L66 V147 I158 I160 V224L66-V142 HydrophobicContact CD1-CG1 4.3Å; V142-V147 HydrophobicContact CG2-CG1 4Å; V142-I158 HydrophobicContact CG2-CB 3.69Å; V142-I158 HydrophobicContact CG2-CD1 4.45Å; V142-I158 HydrophobicContact CG2-CG2 4.05Å; V142-I158 PolarHBondContact N-O 3.15Å; V142-I158 PolarHBondContact O-N 3.21Å; V142-I160 HydrophobicContact CB-CD1 4.42Å; V142-I160 HydrophobicContact CG1-CD1 3.67Å; V142-I160 HydrophobicContact CG2-CD1 3.8Å; V142-I160 HydrophobicContact CG2-CG1 4.4Å; V142-V224 HydrophobicContact CG1-CB 3.75Å; V142-V224 HydrophobicContact CG1-CG1 3.67Å; V142-V224 HydrophobicContact CG1-CG2 3.58Å
143L89.6Confident85.6Confident58 Ų5848 Ų4830%0.30426%0.256SS..EExtended strand (participates in β ladder)trans-85.4148.3171.5-67.2168.3000110.1Q145 Q146 E157L143-Q145 HydrophobicContact CB-CG 4.02Å; L143-Q145 PolarHBondContact O-N 2.86Å; L143-Q145 VanDerWaalsContact O-N 3.14Å; L143-Q146 HydrophobicContact CB-CG 4.3Å; L143-Q146 WeakPolarHBondContact O-CB 3.14Å; L143-Q146 PolarHBondContact O-N 2.95Å; L143-E157 HydrophobicContact CD2-CG 3.94Å
144G87.7Confident86Confident0 Ų042.2 Ų42.20%024%0.236CC..G310 helixtrans-50.5-39.8176.800000113.6Q146 V147 G148 L149 A154 E156G144-Q146 PolarHBondContact O-N 3.43Å; G144-V147 CarbonylContact O-C 3.48Å; G144-V147 WeakPolarHBondContact O-CG2 3.15Å; G144-V147 PolarHBondContact O-N 3.42Å; G144-V147 VanDerWaalsContact O-N 3.08Å; G144-G148 PolarHBondContact O-N 2.93Å; G144-L149 VanDerWaalsContact O-CB 3.28Å; G144-L149 WeakPolarHBondContact O-CB 3.35Å; G144-L149 PolarHBondContact O-N 3.45Å; G144-A154 PolarHBondContact N-O 2.83Å; G144-E156 PolarHBondContact N-O 2.92Å
145Q86.9Confident86.5Confident117 Ų11745.7 Ų45.755%0.54725%0.25SC..G310 helixtrans-59.6-32.117766.8179.7-1.500113.7L143 V147 G148 L149 A154L143-Q145 HydrophobicContact CB-CG 4.02Å; L143-Q145 PolarHBondContact O-N 2.86Å; L143-Q145 VanDerWaalsContact O-N 3.14Å; Q145-V147 VanDerWaalsContact C-N 3.29Å; Q145-G148 PolarHBondContact O-N 3.03Å; Q145-G148 VanDerWaalsContact O-N 3.16Å; Q145-L149 WeakPolarHBondContact CA-O 3.14Å; Q145-A154 HydrophobicContact CB-CB 4.14Å; Q145-A154 PolarHBondContact N-O 3.48Å
146Q84.9Confident86.9Confident53 Ų5348 Ų4825%0.24826%0.26CS..G310 helixtrans-73.8-26180-60.1178.3-79.800111.3L66 L143 G144 G148 V224L66-Q146 HydrophobicContact CD2-CB 4.2Å; L66-Q146 WeakPolarHBondContact CD2-O 3.45Å; L143-Q146 HydrophobicContact CB-CG 4.3Å; L143-Q146 WeakPolarHBondContact O-CB 3.14Å; L143-Q146 PolarHBondContact O-N 2.95Å; G144-Q146 PolarHBondContact O-N 3.43Å; Q146-G148 VanDerWaalsContact C-N 3.3Å; Q146-V224 PolarHBondContact NE2-O 2.93Å
147V87.1Confident87.2Confident2 Ų253.6 Ų53.61%0.01229%0.285CS..G310 helixtrans-98.126.5171-65.20000111.4R62 F63 L66 V142 G144 Q145 L149 I158R62-V147 WeakPolarHBondContact CD-O 3.43Å; R62-V147 PolarHBondContact NH1-O 2.8Å; R62-V147 VanDerWaalsContact NH1-O 3.12Å; F63-V147 HydrophobicContact CD1-CG1 3.98Å; F63-V147 HydrophobicContact CE1-CG1 3.64Å; F63-V147 HydrophobicContact CZ-CG1 3.96Å; L66-V147 HydrophobicContact CD1-CG1 3.68Å; V142-V147 HydrophobicContact CG2-CG1 4Å; G144-V147 CarbonylContact O-C 3.48Å; G144-V147 WeakPolarHBondContact O-CG2 3.15Å; G144-V147 PolarHBondContact O-N 3.42Å; G144-V147 VanDerWaalsContact O-N 3.08Å; Q145-V147 VanDerWaalsContact C-N 3.29Å; V147-L149 VanDerWaalsContact C-N 3.27Å; V147-L149 HydrophobicContact CG2-CD1 4.11Å; V147-L149 HydrophobicContact CG2-CG 4.07Å; V147-L149 PolarHBondContact O-N 3.35Å; V147-I158 HydrophobicContact CG2-CD1 3.52Å
148G83.8Confident87.5Confident38 Ų3852.2 Ų52.239%0.39228%0.279SS..THydrogen-bonded Turntrans70.111.6173.300000115.9R62 G144 Q145 Q146R62-G148 PolarHBondContact NH1-O 2.97Å; G144-G148 PolarHBondContact O-N 2.93Å; Q145-G148 PolarHBondContact O-N 3.03Å; Q145-G148 VanDerWaalsContact O-N 3.16Å; Q146-G148 VanDerWaalsContact C-N 3.3Å
149L86.6Confident87.8Confident21 Ų2154.1 Ų54.111%0.1129%0.289CS..  trans-72.1146.3173-55.6175.2000109.7G144 Q145 V147 E153 A154 I158 I196G144-L149 VanDerWaalsContact O-CB 3.28Å; G144-L149 WeakPolarHBondContact O-CB 3.35Å; G144-L149 PolarHBondContact O-N 3.45Å; Q145-L149 WeakPolarHBondContact CA-O 3.14Å; V147-L149 VanDerWaalsContact C-N 3.27Å; V147-L149 HydrophobicContact CG2-CD1 4.11Å; V147-L149 HydrophobicContact CG2-CG 4.07Å; V147-L149 PolarHBondContact O-N 3.35Å; L149-E153 HydrophobicContact CB-CB 4.15Å; L149-E153 HydrophobicContact CD1-CB 4.26Å; L149-A154 WeakPolarHBondContact O-CB 3.47Å; L149-I158 HydrophobicContact CD1-CD1 4Å; L149-I196 HydrophobicContact CD1-CB 4.48Å; L149-I196 HydrophobicContact CD1-CG1 4.13Å; L149-I196 HydrophobicContact CD1-CG2 3.79Å
150S85.2Confident88Confident95 Ų9552.5 Ų52.566%0.66428%0.283SS*.  trans-125.2162.4-177.7-67.60000110.2
151G86.5Confident88Confident58 Ų5853.8 Ų53.860%0.59829%0.291SS*.THydrogen-bonded Turntrans79.1-136.5177.900000113.1A154G151-A154 WeakPolarHBondContact O-CB 3.19Å
152R85Confident88.1Confident183 Ų18351.2 Ų51.269%0.69128%0.275SS*.THydrogen-bonded Turntrans-71.3-35.9-17961.4-179178.3-179.73.9111.1A154 H155R152-A154 PolarHBondContact O-N 2.98Å; R152-H155 PolarHBondContact O-N 2.96Å
153E85.3Confident88.1Confident38 Ų3851.9 Ų51.918%0.17828%0.279CS..G310 helixtrans-66.5-21.1179.8-64.379.3-17200112.2L149 H155 E156L149-E153 HydrophobicContact CB-CB 4.15Å; L149-E153 HydrophobicContact CD1-CB 4.26Å; E153-H155 PolarHBondContact O-N 3.06Å; E153-E156 PolarHBondContact O-N 2.99Å
154A85.8Confident88Confident9 Ų949.6 Ų49.67%0.07427%0.267CS..G310 helixtrans-61.5-27.9178.500000113.6G144 Q145 L149 G151 R152G144-A154 PolarHBondContact N-O 2.83Å; Q145-A154 HydrophobicContact CB-CB 4.14Å; Q145-A154 PolarHBondContact N-O 3.48Å; L149-A154 WeakPolarHBondContact O-CB 3.47Å; G151-A154 WeakPolarHBondContact O-CB 3.19Å; R152-A154 PolarHBondContact O-N 2.98Å
155H87.9Confident87.9Confident149 Ų14951.7 Ų51.769%0.6928%0.28SS*.G310 helixtrans-99.1-0.2-177.5-60.481.2000112.7R152 E153R152-H155 PolarHBondContact O-N 2.96Å; E153-H155 PolarHBondContact O-N 3.06Å
156E89.3Confident87.8Confident49 Ų4950 Ų5023%0.22928%0.277CS..  trans-77.5139.7177.8-68.6-173.5-157.700110.6G144 E153 A193 N195 I196G144-E156 PolarHBondContact N-O 2.92Å; E153-E156 PolarHBondContact O-N 2.99Å; E156-A193 WeakPolarHBondContact OE2-CB 3.48Å; E156-N195 PolarHBondContact OE1-ND2 3.24Å; E156-N195 VanDerWaalsContact OE1-ND2 3.09Å; E156-I196 HydrophobicContact CB-CD1 3.76Å; E156-I196 HydrophobicContact CG-CD1 4.46Å; E156-I196 WeakPolarHBondContact OE2-CD1 3.33Å; E156-I196 WeakPolarHBondContact OE2-CG1 3.3Å
157E90.8Very high87.7Confident133 Ų13349.8 Ų49.862%0.62128%0.282SS*.EExtended strand (participates in β ladder)trans-85.4132.1175.5-68.6-178.317600110.3T141 L143T141-E157 HydrophobicContact CG2-CB 4.08Å; T141-E157 HydrophobicContact CG2-CG 4.28Å; L143-E157 HydrophobicContact CD2-CG 3.94Å
158I91.7Very high87.6Confident0 Ų050.3 Ų50.30%028%0.284CS..EExtended strand (participates in β ladder)trans-117.1118.1179.2-61.3165.9000107.2T141 V142 V147 L149 I160 I190 A192 I196T141-I158 WeakPolarHBondContact CA-O 3.35Å; V142-I158 HydrophobicContact CG2-CB 3.69Å; V142-I158 HydrophobicContact CG2-CD1 4.45Å; V142-I158 HydrophobicContact CG2-CG2 4.05Å; V142-I158 PolarHBondContact N-O 3.15Å; V142-I158 PolarHBondContact O-N 3.21Å; V147-I158 HydrophobicContact CG2-CD1 3.52Å; L149-I158 HydrophobicContact CD1-CD1 4Å; I158-I160 HydrophobicContact CG2-CG1 4.33Å; I158-I190 HydrophobicContact CG2-CG2 3.52Å; I158-A192 HydrophobicContact CB-CB 4.47Å; I158-A192 HydrophobicContact CG1-CB 4.02Å; I158-A192 HydrophobicContact CG2-CB 4.29Å; I158-I196 HydrophobicContact CD1-CD1 4.31Å; I158-I196 HydrophobicContact CD1-CG2 4.02Å; I158-I196 HydrophobicContact CG1-CD1 3.94Å; I158-I196 HydrophobicContact CG1-CG2 4.48Å
159N92.4Very high87.5Confident42 Ų4251.3 Ų51.323%0.22528%0.28CS..EExtended strand (participates in β ladder)trans-93127.1179.3-69.5-35000110Y139 T141 I190 T191Y139-N159 HydrophobicContact CE2-CB 4.25Å; Y139-N159 PolarHBondContact OH-ND2 3.19Å; Y139-N159 PolarHBondContact OH-OD1 3.21Å; T141-N159 WeakPolarHBondContact CG2-OD1 3.16Å; T141-N159 PolarHBondContact OG1-OD1 3.43Å; N159-I190 CarbonylContact O-C 3.5Å; N159-I190 WeakPolarHBondContact O-CA 3.48Å; N159-T191 PolarHBondContact N-O 2.9Å; N159-T191 PolarHBondContact O-N 2.81Å
160I92.1Very high87.3Confident0 Ų050.5 Ų50.50%028%0.276CS..EExtended strand (participates in β ladder)trans-117.1130.1-177.2-53.6170.5000108.2F63 F68 Y139 A140 V142 I158 F162 M188 T189F63-I160 HydrophobicContact CD1-CD1 3.87Å; F63-I160 HydrophobicContact CE1-CD1 3.57Å; F63-I160 HydrophobicContact CE1-CG1 4.29Å; F68-I160 HydrophobicContact CE1-CD1 4.15Å; F68-I160 HydrophobicContact CZ-CD1 4.26Å; Y139-I160 CarbonylContact C-O 3.55Å; Y139-I160 WeakPolarHBondContact CA-O 3.07Å; A140-I160 HydrophobicContact CB-CB 4.26Å; A140-I160 PolarHBondContact N-O 2.96Å; A140-I160 PolarHBondContact O-N 3.19Å; V142-I160 HydrophobicContact CB-CD1 4.42Å; V142-I160 HydrophobicContact CG1-CD1 3.67Å; V142-I160 HydrophobicContact CG2-CD1 3.8Å; V142-I160 HydrophobicContact CG2-CG1 4.4Å; I158-I160 HydrophobicContact CG2-CG1 4.33Å; I160-F162 HydrophobicContact CG2-CD2 4.16Å; I160-F162 HydrophobicContact CG2-CE1 4.18Å; I160-F162 HydrophobicContact CG2-CE2 3.57Å; I160-F162 HydrophobicContact CG2-CZ 3.57Å; I160-M188 HydrophobicContact CB-CE 4.43Å; I160-M188 HydrophobicContact CD1-CE 3.98Å; I160-M188 HydrophobicContact CG1-CE 4.13Å; I160-M188 HydrophobicContact CG2-CE 3.47Å; I160-M188 VanDerWaalsContact CG2-CE 3.47Å; I160-M188 HydrophobicContact CG2-CG 3.78Å; I160-M188 HydrophobicContact CG2-SD 4.35Å; I160-T189 CarbonylContact C-O 3.52Å; I160-T189 WeakPolarHBondContact CA-O 3.43Å
161T91Very high87Confident28 Ų2847.6 Ų47.617%0.17225%0.253CS..EExtended strand (participates in β ladder)trans-125.3120.8171.5-55.30000109.8L138 Y139 M188 T189L138-T161 CarbonylContact O-C 3.58Å; L138-T161 WeakPolarHBondContact O-CA 3.39Å; Y139-T161 WeakPolarHBondContact CD2-OG1 3.45Å; T161-M188 CarbonylContact O-C 3.51Å; T161-M188 WeakPolarHBondContact O-CA 3.39Å; T161-T189 PolarHBondContact N-O 3.46Å; T161-T189 PolarHBondContact O-N 2.85Å
162F91.1Very high86.6Confident2 Ų249 Ų491%0.00925%0.247CC..EExtended strand (participates in β ladder)trans-94.5122.9170.2-55.4-85.5000109.1F68 I118 L120 H137 L138 I160 M188 V248F68-F162 HydrophobicContact CD1-CE2 4.14Å; F68-F162 AromaticContact CE1-CE2 3.89Å; F68-F162 HydrophobicContact CE1-CE2 3.89Å; F68-F162 HydrophobicContact CE1-CZ 4.08Å; F68-F162 HydrophobicContact CE2-CZ 4.27Å; F68-F162 HydrophobicContact CZ-CE2 4.19Å; F68-F162 AromaticContact CZ-CZ 3.9Å; F68-F162 HydrophobicContact CZ-CZ 3.9Å; I118-F162 HydrophobicContact CG2-CD1 4.41Å; I118-F162 HydrophobicContact CG2-CE1 4.25Å; L120-F162 HydrophobicContact CD2-CB 4.22Å; L120-F162 HydrophobicContact CD2-CD1 4.35Å; L120-F162 HydrophobicContact CD2-CG 4.18Å; H137-F162 VanDerWaalsContact CA-O 3.32Å; H137-F162 WeakPolarHBondContact CA-O 3.16Å; L138-F162 HydrophobicContact CB-CB 4.2Å; L138-F162 HydrophobicContact CB-CD2 4.08Å; L138-F162 PolarHBondContact N-O 3.21Å; L138-F162 PolarHBondContact O-N 2.87Å; I160-F162 HydrophobicContact CG2-CD2 4.16Å; I160-F162 HydrophobicContact CG2-CE1 4.18Å; I160-F162 HydrophobicContact CG2-CE2 3.57Å; I160-F162 HydrophobicContact CG2-CZ 3.57Å; F162-M188 HydrophobicContact CD1-CB 3.92Å; F162-M188 HydrophobicContact CD1-CG 3.99Å; F162-M188 HydrophobicContact CE1-CB 3.99Å; F162-M188 HydrophobicContact CE1-CE 4.44Å; F162-M188 HydrophobicContact CE1-CG 3.65Å; F162-M188 HydrophobicContact CE1-SD 3.8Å; F162-M188 HydrophobicContact CZ-CE 4.4Å; F162-M188 HydrophobicContact CZ-CG 4.33Å; F162-M188 HydrophobicContact CZ-SD 4.33Å; F162-V248 HydrophobicContact CE1-CG2 3.68Å; F162-V248 HydrophobicContact CZ-CG2 3.6Å
163T89.8Confident86.5Confident15 Ų1540.9 Ų40.99%0.09222%0.219CC..EExtended strand (participates in β ladder)trans-98.5115.7171.3-49.20000109.1T186 C187 P208T163-T186 WeakPolarHBondContact O-CB 3.3Å; T163-C187 PolarHBondContact N-O 3.34Å; T163-C187 PolarHBondContact O-N 3.45Å; T163-P208 HydrophobicContact CG2-CB 3.4Å; T163-P208 HydrophobicContact CG2-CG 3.61Å
164L87.7Confident86.3Confident10 Ų1042.8 Ų42.85%0.05223%0.233CC..EExtended strand (participates in β ladder)trans-80.5137.7-178.6-53.9-176.3000110.2L120 I135 T136 L138 V166 W168 F184 T186L120-L164 HydrophobicContact CD2-CD2 3.94Å; I135-L164 HydrophobicContact CG2-CD1 4.28Å; T136-L164 PolarHBondContact O-N 2.84Å; L138-L164 HydrophobicContact CD1-CD2 4.42Å; L164-V166 VanDerWaalsContact C-N 3.28Å; L164-V166 WeakPolarHBondContact CB-O 3.47Å; L164-V166 PolarHBondContact O-N 3.25Å; L164-W168 HydrophobicContact CD1-CB 3.88Å; L164-F184 HydrophobicContact CD1-CE2 4.48Å; L164-F184 HydrophobicContact CD2-CB 4.39Å; L164-F184 HydrophobicContact CD2-CD2 4.11Å; L164-F184 HydrophobicContact CD2-CG 4.18Å; L164-T186 HydrophobicContact CD2-CG2 3.52Å
165P85.4Confident86.1Confident44 Ų4447.9 Ų47.929%0.28626%0.258SS..EExtended strand (participates in β ladder)trans-70.7-26.6178.229.6-36.2000112.5F184 S185P165-F184 HydrophobicContact CG-CD1 4.25Å; P165-S185 WeakPolarHBondContact CD-O 3.06Å; P165-S185 WeakPolarHBondContact CG-O 3.43Å
166V83.8Confident85.8Confident80 Ų8046.9 Ų46.949%0.48525%0.253SS..EExtended strand (participates in β ladder)trans-134.8149175.6-59.40000109.5L164 W168 F184L164-V166 VanDerWaalsContact C-N 3.28Å; L164-V166 WeakPolarHBondContact CB-O 3.47Å; L164-V166 PolarHBondContact O-N 3.25Å; V166-W168 PolarHBondContact O-N 3.07Å; V166-F184 HydrophobicContact CG2-CD1 4.15Å; V166-F184 HydrophobicContact CG2-CE1 3.58Å
167S82.6Confident85.3Confident49 Ų4946.4 Ų46.434%0.34326%0.262SS..EExtended strand (participates in β ladder)trans-66.4130.6-178.661.70000111.3I135I135-S167 CarbonylContact O-C 3.5Å; I135-S167 VanDerWaalsContact O-CA 3.29Å; I135-S167 WeakPolarHBondContact O-CA 3.47Å
168W85.4Confident84.9Confident14 Ų1445.5 Ų45.55%0.05326%0.257CS..EExtended strand (participates in β ladder)trans-91.3136.5176.9-173.840.5000111.3V70 L122 Y131 N134 I135 L164 V166 V182 F184 A244V70-W168 HydrophobicContact CB-CZ3 4.23Å; V70-W168 HydrophobicContact CG1-CZ3 4.04Å; V70-W168 HydrophobicContact CG2-CZ3 4.12Å; L122-W168 HydrophobicContact CB-CH2 3.57Å; L122-W168 HydrophobicContact CB-CZ2 3.51Å; L122-W168 HydrophobicContact CB-CZ3 4.26Å; L122-W168 HydrophobicContact CD1-CD2 3.57Å; L122-W168 HydrophobicContact CD1-CE3 3.33Å; L122-W168 HydrophobicContact CD1-CG 4.36Å; L122-W168 HydrophobicContact CD1-CH2 3.58Å; L122-W168 HydrophobicContact CD1-CZ2 3.84Å; L122-W168 HydrophobicContact CD1-CZ3 3.35Å; L122-W168 HydrophobicContact CD2-CH2 4.37Å; L122-W168 HydrophobicContact CD2-CZ3 4.42Å; L122-W168 HydrophobicContact CG-CH2 4.02Å; L122-W168 HydrophobicContact CG-CZ2 4.26Å; L122-W168 HydrophobicContact CG-CZ3 4.2Å; Y131-W168 HydrophobicContact CD1-CH2 4.24Å; Y131-W168 HydrophobicContact CD1-CZ3 4.14Å; Y131-W168 HydrophobicContact CE1-CD2 4.07Å; Y131-W168 AromaticContact CE1-CE2 3.92Å; Y131-W168 AromaticContact CE1-CE3 3.81Å; Y131-W168 HydrophobicContact CE1-CE3 3.81Å; Y131-W168 AromaticContact CE1-CH2 3.32Å; Y131-W168 HydrophobicContact CE1-CH2 3.32Å; Y131-W168 AromaticContact CE1-CZ2 3.57Å; Y131-W168 HydrophobicContact CE1-CZ2 3.57Å; Y131-W168 AromaticContact CE1-CZ3 3.42Å; Y131-W168 HydrophobicContact CE1-CZ3 3.42Å; Y131-W168 VanDerWaalsContact CE1-CZ3 3.42Å; Y131-W168 HydrophobicContact CE2-CD2 4.21Å; Y131-W168 HydrophobicContact CE2-CE3 4.12Å; Y131-W168 HydrophobicContact CE2-CZ3 4.5Å; Y131-W168 AromaticContact CZ-CD2 3.49Å; Y131-W168 VanDerWaalsContact CZ-CD2 3.49Å; Y131-W168 AromaticContact CZ-CE2 3.57Å; Y131-W168 AromaticContact CZ-CE3 3.53Å; Y131-W168 AromaticContact CZ-CH2 3.81Å; Y131-W168 AromaticContact CZ-CZ2 3.74Å; Y131-W168 AromaticContact CZ-CZ3 3.69Å; Y131-W168 VanDerWaalsContact OH-CZ2 3.28Å; Y131-W168 WeakPolarHBondContact OH-CZ2 3.39Å; Y131-W168 PolarHBondContact OH-NE1 3.32Å; N134-W168 PolarHBondContact N-O 3.4Å; I135-W168 HydrophobicContact CB-CB 4.38Å; I135-W168 HydrophobicContact CD1-CE3 3.99Å; I135-W168 HydrophobicContact CD1-CZ3 4.39Å; I135-W168 PolarHBondContact N-O 3.18Å; I135-W168 PolarHBondContact O-N 3.12Å; L164-W168 HydrophobicContact CD1-CB 3.88Å; V166-W168 PolarHBondContact O-N 3.07Å; W168-V182 HydrophobicContact CZ2-CG2 4.28Å; W168-F184 HydrophobicContact CB-CE2 4.3Å; W168-F184 HydrophobicContact CB-CZ 3.9Å; W168-F184 AromaticContact CD1-CZ 3.94Å; W168-F184 HydrophobicContact CG-CE2 4.12Å; W168-F184 AromaticContact CG-CZ 3.98Å; W168-F184 HydrophobicContact CG-CZ 3.98Å; W168-A244 HydrophobicContact CH2-CB 3.54Å; W168-A244 HydrophobicContact CZ2-CB 4.17Å
169N83.2Confident84.5Confident58 Ų5846.4 Ų46.431%0.3126%0.263SS..  trans-133.7134-176.2-167.4-13.3000110.8Y131 D171Y131-N169 PolarHBondContact OH-O 3.27Å; N169-D171 PolarHBondContact ND2-OD2 3.31Å; N169-D171 WeakPolarHBondContact OD1-CB 3.39Å; N169-D171 PolarHBondContact OD1-N 3.11Å; N169-D171 PolarHBondContact OD1-OD2 3.22Å; N169-D171 VanDerWaalsContact OD1-OD2 3.13Å
170S80.8Confident84.2Confident5 Ų551.6 Ų51.64%0.03529%0.286CS..  trans-83.3-10.2178.343.80000114.2Y131 D172 C173 V174Y131-S170 WeakPolarHBondContact CD2-OG 3.38Å; Y131-S170 VanDerWaalsContact CE2-N 3.28Å; Y131-S170 PolarHBondContact N-OG 2.95Å; Y131-S170 PolarHBondContact O-OG 2.78Å; Y131-S170 VanDerWaalsContact O-OG 3.1Å; Y131-S170 WeakPolarHBondContact OH-CA 3.44Å; Y131-S170 PolarHBondContact OH-N 3.39Å; Y131-S170 VanDerWaalsContact OH-N 3.14Å; S170-D172 VanDerWaalsContact C-N 3.3Å; S170-D172 PolarHBondContact O-N 3.43Å; S170-C173 PolarHBondContact O-N 3.3Å; S170-C173 VanDerWaalsContact O-N 3.16Å; S170-V174 WeakPolarHBondContact O-CG2 3.09Å; S170-V174 PolarHBondContact O-N 3.05Å
171D79.2Confident84.1Confident33 Ų3356.5 Ų56.518%0.17631%0.309CS..Hα-helixtrans-55.2-42.1-169.5-76.8-24.5000113.3R133 N169 C173 V174 L175R133-D171 VanDerWaalsContact CD-OD2 3.3Å; R133-D171 WeakPolarHBondContact CD-OD2 3.41Å; R133-D171 VanDerWaalsContact CZ-CG 3.4Å; R133-D171 IonicContact CZ-OD1 3.71Å; R133-D171 IonicContact CZ-OD2 3.29Å; R133-D171 IonicContact NE-OD1 3.29Å; R133-D171 PolarHBondContact NE-OD1 2.92Å; R133-D171 IonicContact NE-OD2 2.6Å; R133-D171 PolarHBondContact NE-OD2 3.32Å; R133-D171 IonicContact NH1-OD2 3.29Å; R133-D171 VanDerWaalsContact NH2-CG 3.3Å; R133-D171 IonicContact NH2-OD1 2.75Å; R133-D171 PolarHBondContact NH2-OD1 2.56Å; R133-D171 IonicContact NH2-OD2 3.07Å; R133-D171 PolarHBondContact NH2-OD2 2.93Å; N169-D171 PolarHBondContact ND2-OD2 3.31Å; N169-D171 WeakPolarHBondContact OD1-CB 3.39Å; N169-D171 PolarHBondContact OD1-N 3.11Å; N169-D171 PolarHBondContact OD1-OD2 3.22Å; N169-D171 VanDerWaalsContact OD1-OD2 3.13Å; D171-C173 PolarHBondContact O-N 3.42Å; D171-V174 PolarHBondContact O-N 3.16Å; D171-L175 HydrophobicContact CB-CD1 4.07Å; D171-L175 WeakPolarHBondContact O-CB 3.39Å; D171-L175 WeakPolarHBondContact O-CG 3.38Å; D171-L175 PolarHBondContact O-N 2.87Å
172D79.1Confident84.1Confident87 Ų8757.4 Ų57.447%0.46532%0.315SS..Hα-helixtrans-65.1-41.2-178.1-16531.8000112.1S170 H176 G177 H178S170-D172 VanDerWaalsContact C-N 3.3Å; S170-D172 PolarHBondContact O-N 3.43Å; D172-H176 CarbonylContact O-C 3.59Å; D172-H176 WeakPolarHBondContact O-CA 3.15Å; D172-H176 VanDerWaalsContact O-CB 3.3Å; D172-H176 WeakPolarHBondContact O-CB 3.33Å; D172-H176 PolarHBondContact O-N 3.24Å; D172-H176 IonicContact OD1-CD2 3.56Å; D172-H176 PolarHBondContact OD1-CD2 3.09Å; D172-H176 VanDerWaalsContact OD1-CD2 3.27Å; D172-H176 IonicContact OD1-CG 2.94Å; D172-G177 PolarHBondContact O-N 2.98Å; D172-H178 PolarHBondContact O-N 3.21Å
173C82.9Confident84.1Confident14 Ų1461.7 Ų61.710%0.09534%0.341CS..Hα-helixtrans-69.8-39.1176171.10000112.3F128 S170 D171 G177 H178 C179F128-C173 HydrophobicContact CD1-CB 4.13Å; F128-C173 WeakPolarHBondContact CD1-SG 3.36Å; F128-C173 HydrophobicContact CE1-CB 4.26Å; S170-C173 PolarHBondContact O-N 3.3Å; S170-C173 VanDerWaalsContact O-N 3.16Å; D171-C173 PolarHBondContact O-N 3.42Å; C173-G177 WeakPolarHBondContact O-CA 3.36Å; C173-G177 PolarHBondContact O-N 3.42Å; C173-G177 VanDerWaalsContact O-N 3.15Å; C173-H178 WeakPolarHBondContact CA-O 3.43Å; C173-C179 VanDerWaalsContact CA-SG 3.57Å; C173-C179 HydrophobicContact CB-CB 3.93Å; C173-C179 WeakPolarHBondContact CB-SG 3.4Å; C173-C179 PolarHBondContact O-SG 2.79Å; C173-C179 WeakPolarHBondContact SG-CB 3.38Å; C173-C179 CovalentContact SG-SG 2.03Å; C173-C179 PolarHBondContact SG-SG 2.81Å
174V81.1Confident84.1Confident78 Ų7861.9 Ų61.947%0.47334%0.34SS..Hα-helixtrans-76.4-43.5-178.61770000112.3F128 S170 D171F128-V174 HydrophobicContact CD1-CG2 3.89Å; F128-V174 HydrophobicContact CE1-CG2 3.99Å; S170-V174 WeakPolarHBondContact O-CG2 3.09Å; S170-V174 PolarHBondContact O-N 3.05Å; D171-V174 PolarHBondContact O-N 3.16Å
175L81.4Confident84.3Confident115 Ų11565.2 Ų65.260%0.60236%0.364SS*.Hα-helixtrans-85.9-38-174.3-67.8162.8000112.6D171D171-L175 HydrophobicContact CB-CD1 4.07Å; D171-L175 WeakPolarHBondContact O-CB 3.39Å; D171-L175 WeakPolarHBondContact O-CG 3.38Å; D171-L175 PolarHBondContact O-N 2.87Å
176H80.6Confident84.5Confident129 Ų12963.2 Ų63.260%0.59735%0.351SS*.Hα-helixtrans-110.1-7-173.6-57-62.9000113.3D172 H178D172-H176 CarbonylContact O-C 3.59Å; D172-H176 WeakPolarHBondContact O-CA 3.15Å; D172-H176 VanDerWaalsContact O-CB 3.3Å; D172-H176 WeakPolarHBondContact O-CB 3.33Å; D172-H176 PolarHBondContact O-N 3.24Å; D172-H176 IonicContact OD1-CD2 3.56Å; D172-H176 PolarHBondContact OD1-CD2 3.09Å; D172-H176 VanDerWaalsContact OD1-CD2 3.27Å; D172-H176 IonicContact OD1-CG 2.94Å; H176-H178 PolarHBondContact O-N 2.71Å
177G79.1Confident84.9Confident39 Ų3959.7 Ų59.740%0.40233%0.33SS..  trans71.77.8-177.700000113.7D172 C173 C179D172-G177 PolarHBondContact O-N 2.98Å; C173-G177 WeakPolarHBondContact O-CA 3.36Å; C173-G177 PolarHBondContact O-N 3.42Å; C173-G177 VanDerWaalsContact O-N 3.15Å; G177-C179 VanDerWaalsContact C-N 3.33Å; G177-C179 PolarHBondContact O-N 3.41Å; G177-C179 VanDerWaalsContact O-N 3.08Å
178H83.1Confident85.3Confident113 Ų11357.4 Ų57.452%0.52331%0.314SS..  trans-82.778.2176.7-70.4-58000110D172 C173 H176 E180D172-H178 PolarHBondContact O-N 3.21Å; C173-H178 WeakPolarHBondContact CA-O 3.43Å; H176-H178 PolarHBondContact O-N 2.71Å; H178-E180 PolarHBondContact O-N 3.18Å
179C83.1Confident85.6Confident20 Ų2058.4 Ų58.414%0.13532%0.322CS..  trans-96.675.7177.9-55.10000109.6P124 C173 G177P124-C179 HydrophobicContact CB-CB 4.17Å; C173-C179 VanDerWaalsContact CA-SG 3.57Å; C173-C179 HydrophobicContact CB-CB 3.93Å; C173-C179 WeakPolarHBondContact CB-SG 3.4Å; C173-C179 PolarHBondContact O-SG 2.79Å; C173-C179 WeakPolarHBondContact SG-CB 3.38Å; C173-C179 CovalentContact SG-SG 2.03Å; C173-C179 PolarHBondContact SG-SG 2.81Å; G177-C179 VanDerWaalsContact C-N 3.33Å; G177-C179 PolarHBondContact O-N 3.41Å; G177-C179 VanDerWaalsContact O-N 3.08Å
180E86.7Confident86.1Confident150 Ų15055.6 Ų55.670%0.70131%0.307SS*.  trans-95.4153.3174.3-64.1-168.1163.800111.1H178H178-E180 PolarHBondContact O-N 3.18Å
181Q89.6Confident86.6Confident104 Ų10456.9 Ų56.949%0.48631%0.314SS..  trans-67.2134.2174.2179.9-178.966.100110L122 D123L122-Q181 WeakPolarHBondContact O-CA 3.48Å; D123-Q181 HydrophobicContact CB-CG 4.33Å
182V89.9Confident87.2Confident47 Ų4755.5 Ų55.529%0.28531%0.307SS..EExtended strand (participates in β ladder)trans-109.9148.5174-63.60000110.9T121 L122 W168 F184T121-V182 CarbonylContact C-O 3.5Å; T121-V182 VanDerWaalsContact CA-O 3.28Å; T121-V182 WeakPolarHBondContact CA-O 3.4Å; L122-V182 HydrophobicContact CB-CG2 3.77Å; L122-V182 HydrophobicContact CD1-CG2 4.46Å; L122-V182 HydrophobicContact CG-CG2 4.48Å; L122-V182 PolarHBondContact N-O 2.89Å; L122-V182 PolarHBondContact O-N 2.84Å; W168-V182 HydrophobicContact CZ2-CG2 4.28Å; V182-F184 HydrophobicContact CB-CE2 4.21Å; V182-F184 HydrophobicContact CB-CZ 4.42Å; V182-F184 HydrophobicContact CG2-CD2 4.35Å; V182-F184 HydrophobicContact CG2-CE2 3.54Å; V182-F184 HydrophobicContact CG2-CZ 4.06Å
183V92.4Very high87.8Confident92 Ų9252.8 Ų52.856%0.55830%0.298SS*.EExtended strand (participates in β ladder)trans-125.1127.9-177.9-173.60000109.5T119 T121T119-V183 HydrophobicContact CG2-CG1 3.67Å; T121-V183 HydrophobicContact CG2-CG1 4.19Å; T121-V183 HydrophobicContact CG2-CG2 3.99Å
184F90.1Very high87.9Confident18 Ų1854.9 Ų54.98%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-120138.4178.2-62.7-73.9000110.9T119 L120 L122 L164 P165 V166 W168 V182 T186T119-F184 CarbonylContact C-O 3.55Å; T119-F184 WeakPolarHBondContact CA-O 3.25Å; L120-F184 PolarHBondContact N-O 3.39Å; L120-F184 PolarHBondContact O-N 3.39Å; L122-F184 HydrophobicContact CD1-CD2 3.96Å; L122-F184 HydrophobicContact CD1-CE2 3.64Å; L122-F184 HydrophobicContact CG-CD2 4.45Å; L122-F184 HydrophobicContact CG-CE2 4.4Å; L164-F184 HydrophobicContact CD1-CE2 4.48Å; L164-F184 HydrophobicContact CD2-CB 4.39Å; L164-F184 HydrophobicContact CD2-CD2 4.11Å; L164-F184 HydrophobicContact CD2-CG 4.18Å; P165-F184 HydrophobicContact CG-CD1 4.25Å; V166-F184 HydrophobicContact CG2-CD1 4.15Å; V166-F184 HydrophobicContact CG2-CE1 3.58Å; W168-F184 HydrophobicContact CB-CE2 4.3Å; W168-F184 HydrophobicContact CB-CZ 3.9Å; W168-F184 AromaticContact CD1-CZ 3.94Å; W168-F184 HydrophobicContact CG-CE2 4.12Å; W168-F184 AromaticContact CG-CZ 3.98Å; W168-F184 HydrophobicContact CG-CZ 3.98Å; V182-F184 HydrophobicContact CB-CE2 4.21Å; V182-F184 HydrophobicContact CB-CZ 4.42Å; V182-F184 HydrophobicContact CG2-CD2 4.35Å; V182-F184 HydrophobicContact CG2-CE2 3.54Å; V182-F184 HydrophobicContact CG2-CZ 4.06Å; F184-T186 HydrophobicContact CB-CG2 3.33Å; F184-T186 HydrophobicContact CG-CG2 4.35Å
185S91Very high88Confident80 Ų8054.4 Ų54.456%0.55931%0.307SS*.EExtended strand (participates in β ladder)trans-89.4104.5159.5-169.30000107.3P165P165-S185 WeakPolarHBondContact CD-O 3.06Å; P165-S185 WeakPolarHBondContact CG-O 3.43Å
186T90.4Very high88.2Confident3 Ų349.4 Ų49.42%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-113.3156.6-16967.10000111.2I118 L120 T163 L164 F184I118-T186 PolarHBondContact N-O 3.24Å; I118-T186 PolarHBondContact O-N 2.04Å; I118-T186 PolarHBondContact O-OG1 3.13Å; L120-T186 HydrophobicContact CB-CG2 3.91Å; L120-T186 HydrophobicContact CD2-CG2 4.19Å; T163-T186 WeakPolarHBondContact O-CB 3.3Å; L164-T186 HydrophobicContact CD2-CG2 3.52Å; F184-T186 HydrophobicContact CB-CG2 3.33Å; F184-T186 HydrophobicContact CG-CG2 4.35Å
187C90.9Very high88.6Confident6 Ų643.9 Ų43.94%0.04126%0.255CS..EExtended strand (participates in β ladder)trans-93.7110.4167.4-171.10000108.8T163 C206 P208T163-C187 PolarHBondContact N-O 3.34Å; T163-C187 PolarHBondContact O-N 3.45Å; C187-C206 WeakPolarHBondContact CA-SG 3.37Å; C187-C206 HydrophobicContact CB-CB 3.92Å; C187-C206 WeakPolarHBondContact CB-SG 3.46Å; C187-C206 VanDerWaalsContact SG-C 3.53Å; C187-C206 WeakPolarHBondContact SG-CB 3.19Å; C187-C206 PolarHBondContact SG-O 2.8Å; C187-C206 CovalentContact SG-SG 2.04Å; C187-C206 PolarHBondContact SG-SG 3.38Å; C187-P208 HydrophobicContact CB-CB 4.02Å; C187-P208 HydrophobicContact CB-CG 4.35Å
188M92.1Very high88.9Confident0 Ų042.7 Ų42.70%024%0.24CC..EExtended strand (participates in β ladder)trans-91.4120.9177.3178.3-172.5177.600109.2F63 S115 V116 I118 I160 T161 F162 I190F63-M188 HydrophobicContact CB-CE 4.48Å; F63-M188 HydrophobicContact CD1-CE 3.41Å; F63-M188 VanDerWaalsContact CD1-CE 3.41Å; F63-M188 HydrophobicContact CD2-CE 4.35Å; F63-M188 HydrophobicContact CE1-CE 3.57Å; F63-M188 HydrophobicContact CE2-CE 4.47Å; F63-M188 HydrophobicContact CG-CE 3.83Å; F63-M188 HydrophobicContact CZ-CE 4.11Å; S115-M188 CarbonylContact C-O 3.35Å; S115-M188 WeakPolarHBondContact CA-O 3.45Å; V116-M188 PolarHBondContact N-O 3.45Å; V116-M188 PolarHBondContact O-N 3.3Å; I118-M188 HydrophobicContact CB-CB 4.47Å; I118-M188 HydrophobicContact CD1-SD 4.04Å; I118-M188 HydrophobicContact CG2-CB 3.57Å; I118-M188 HydrophobicContact CG2-CG 4.41Å; I118-M188 HydrophobicContact CG2-SD 4.12Å; I160-M188 HydrophobicContact CB-CE 4.43Å; I160-M188 HydrophobicContact CD1-CE 3.98Å; I160-M188 HydrophobicContact CG1-CE 4.13Å; I160-M188 HydrophobicContact CG2-CE 3.47Å; I160-M188 VanDerWaalsContact CG2-CE 3.47Å; I160-M188 HydrophobicContact CG2-CG 3.78Å; I160-M188 HydrophobicContact CG2-SD 4.35Å; T161-M188 CarbonylContact O-C 3.51Å; T161-M188 WeakPolarHBondContact O-CA 3.39Å; F162-M188 HydrophobicContact CD1-CB 3.92Å; F162-M188 HydrophobicContact CD1-CG 3.99Å; F162-M188 HydrophobicContact CE1-CB 3.99Å; F162-M188 HydrophobicContact CE1-CE 4.44Å; F162-M188 HydrophobicContact CE1-CG 3.65Å; F162-M188 HydrophobicContact CE1-SD 3.8Å; F162-M188 HydrophobicContact CZ-CE 4.4Å; F162-M188 HydrophobicContact CZ-CG 4.33Å; F162-M188 HydrophobicContact CZ-SD 4.33Å; M188-I190 HydrophobicContact CE-CD1 3.79Å; M188-I190 HydrophobicContact CE-CG1 3.72Å; M188-I190 HydrophobicContact CG-CG1 4.25Å; M188-I190 HydrophobicContact SD-CD1 4.38Å; M188-I190 HydrophobicContact SD-CG1 4.4Å
189T91.8Very high88.7Confident35 Ų3543.5 Ų43.522%0.21525%0.253CS..EExtended strand (participates in β ladder)trans-104.9119.9175.7-55.40000109.3N113 I114 I160 T161N113-T189 HydrophobicContact CB-CG2 4.33Å; I114-T189 CarbonylContact O-C 3.58Å; I114-T189 WeakPolarHBondContact O-CA 3.44Å; I160-T189 CarbonylContact C-O 3.52Å; I160-T189 WeakPolarHBondContact CA-O 3.43Å; T161-T189 PolarHBondContact N-O 3.46Å; T161-T189 PolarHBondContact O-N 2.85Å
190I93Very high88.3Confident0 Ų043.5 Ų43.50%025%0.252CS..EExtended strand (participates in β ladder)trans-104.3123.7178-55.1172.6000107.6F59 L60 F63 N113 I114 I158 N159 M188 F197F59-I190 HydrophobicContact CE1-CD1 3.95Å; L60-I190 HydrophobicContact CD2-CD1 4.28Å; F63-I190 HydrophobicContact CE2-CD1 4.04Å; F63-I190 HydrophobicContact CZ-CD1 3.86Å; N113-I190 CarbonylContact C-O 3.52Å; N113-I190 WeakPolarHBondContact CA-O 3.32Å; I114-I190 PolarHBondContact N-O 2.95Å; I114-I190 PolarHBondContact O-N 3.27Å; I158-I190 HydrophobicContact CG2-CG2 3.52Å; N159-I190 CarbonylContact O-C 3.5Å; N159-I190 WeakPolarHBondContact O-CA 3.48Å; M188-I190 HydrophobicContact CE-CD1 3.79Å; M188-I190 HydrophobicContact CE-CG1 3.72Å; M188-I190 HydrophobicContact CG-CG1 4.25Å; M188-I190 HydrophobicContact SD-CD1 4.38Å; M188-I190 HydrophobicContact SD-CG1 4.4Å; I190-F197 HydrophobicContact CB-CE1 4.02Å; I190-F197 HydrophobicContact CB-CZ 4.3Å; I190-F197 HydrophobicContact CG2-CE1 3.67Å; I190-F197 HydrophobicContact CG2-CZ 3.83Å
191T92Very high87.8Confident31 Ų3141 Ų4119%0.1925%0.247CC..EExtended strand (participates in β ladder)trans-117.9114.8178.7-56.90000108.7P111 I112 N113 N159P111-T191 HydrophobicContact CB-CG2 4.05Å; I112-T191 WeakPolarHBondContact O-CA 3.42Å; N113-T191 WeakPolarHBondContact OD1-CG2 3.45Å; N113-T191 PolarHBondContact OD1-OG1 3.49Å; N159-T191 PolarHBondContact N-O 2.9Å; N159-T191 PolarHBondContact O-N 2.81Å
192A91.8Very high87.4Confident4 Ų439.8 Ų39.83%0.03324%0.241CC..EExtended strand (participates in β ladder)trans-158.1174.5-176.700000111.3P111 I112 I158 I196 F197P111-A192 CarbonylContact C-O 3.55Å; P111-A192 WeakPolarHBondContact CA-O 3.46Å; I112-A192 PolarHBondContact N-O 3.21Å; I112-A192 PolarHBondContact O-N 2.97Å; I112-A192 VanDerWaalsContact O-N 3.16Å; I158-A192 HydrophobicContact CB-CB 4.47Å; I158-A192 HydrophobicContact CG1-CB 4.02Å; I158-A192 HydrophobicContact CG2-CB 4.29Å; A192-I196 HydrophobicContact CB-CB 4.29Å; A192-I196 HydrophobicContact CB-CD1 3.68Å; A192-I196 HydrophobicContact CB-CG2 4.34Å; A192-F197 HydrophobicContact CB-CE2 3.75Å; A192-F197 HydrophobicContact CB-CZ 3.83Å
193A90.1Very high87.1Confident31 Ų3137.7 Ų37.726%0.25623%0.229SC..  trans-65.8151.6173.200000111.4E156 N195 I196 F197E156-A193 WeakPolarHBondContact OE2-CB 3.48Å; A193-N195 WeakPolarHBondContact CB-OD1 3.45Å; A193-N195 PolarHBondContact O-N 2.9Å; A193-I196 HydrophobicContact CB-CD1 4.5Å; A193-I196 WeakPolarHBondContact O-CB 3.4Å; A193-I196 PolarHBondContact O-N 3.09Å; A193-I196 VanDerWaalsContact O-N 3.13Å; A193-F197 WeakPolarHBondContact O-CD2 3.46Å
194S85.4Confident86.7Confident57 Ų5737.9 Ų37.940%0.39923%0.232SC..G310 helixtrans-64.1-26.5-172.159.60000114I196 F197S194-I196 VanDerWaalsContact C-N 3.27Å; S194-I196 PolarHBondContact O-N 2.84Å; S194-F197 PolarHBondContact O-N 2.9Å
195N83.1Confident86.4Confident69 Ų6942.4 Ų42.437%0.36925%0.253SS..G310 helixtrans-70-17.7177.558.5-48000114E156 A193E156-N195 PolarHBondContact OE1-ND2 3.24Å; E156-N195 VanDerWaalsContact OE1-ND2 3.09Å; A193-N195 WeakPolarHBondContact CB-OD1 3.45Å; A193-N195 PolarHBondContact O-N 2.9Å
196I86.7Confident86.2Confident9 Ų939.7 Ų39.75%0.04623%0.234CC..G310 helixtrans-75.8-30176.8-71.1168.3000111.4F59 L149 E156 I158 A192 A193 S194F59-I196 HydrophobicContact CE2-CG2 4.07Å; F59-I196 HydrophobicContact CZ-CG2 4.22Å; L149-I196 HydrophobicContact CD1-CB 4.48Å; L149-I196 HydrophobicContact CD1-CG1 4.13Å; L149-I196 HydrophobicContact CD1-CG2 3.79Å; E156-I196 HydrophobicContact CB-CD1 3.76Å; E156-I196 HydrophobicContact CG-CD1 4.46Å; E156-I196 WeakPolarHBondContact OE2-CD1 3.33Å; E156-I196 WeakPolarHBondContact OE2-CG1 3.3Å; I158-I196 HydrophobicContact CD1-CD1 4.31Å; I158-I196 HydrophobicContact CD1-CG2 4.02Å; I158-I196 HydrophobicContact CG1-CD1 3.94Å; I158-I196 HydrophobicContact CG1-CG2 4.48Å; A192-I196 HydrophobicContact CB-CB 4.29Å; A192-I196 HydrophobicContact CB-CD1 3.68Å; A192-I196 HydrophobicContact CB-CG2 4.34Å; A193-I196 HydrophobicContact CB-CD1 4.5Å; A193-I196 WeakPolarHBondContact O-CB 3.4Å; A193-I196 PolarHBondContact O-N 3.09Å; A193-I196 VanDerWaalsContact O-N 3.13Å; S194-I196 VanDerWaalsContact C-N 3.27Å; S194-I196 PolarHBondContact O-N 2.84Å
197F87.6Confident85.5Confident13 Ų1345.4 Ų45.46%0.05727%0.269CS..SBendtrans-83.7142.8-172.2-64.4-76.6000112.2W56 F59 I112 I114 I190 A192 A193 S194 V199W56-F197 HydrophobicContact CH2-CB 4.18Å; W56-F197 AromaticContact CH2-CD1 3.46Å; W56-F197 HydrophobicContact CH2-CD1 3.46Å; W56-F197 VanDerWaalsContact CH2-CD1 3.46Å; W56-F197 HydrophobicContact CH2-CE1 4.22Å; W56-F197 HydrophobicContact CH2-CG 4.19Å; W56-F197 HydrophobicContact CZ2-CB 4.2Å; W56-F197 HydrophobicContact CZ2-CD1 4.3Å; W56-F197 HydrophobicContact CZ3-CD1 4.1Å; F59-F197 HydrophobicContact CE1-CD1 4.33Å; F59-F197 HydrophobicContact CZ-CD1 4.36Å; I112-F197 HydrophobicContact CD1-CD2 3.44Å; I112-F197 VanDerWaalsContact CD1-CD2 3.44Å; I112-F197 HydrophobicContact CD1-CE2 3.81Å; I112-F197 HydrophobicContact CD1-CG 4.21Å; I112-F197 HydrophobicContact CG1-CD2 3.47Å; I112-F197 VanDerWaalsContact CG1-CD2 3.47Å; I112-F197 HydrophobicContact CG1-CE2 3.26Å; I112-F197 HydrophobicContact CG1-CZ 4.23Å; I114-F197 HydrophobicContact CB-CE1 4.02Å; I114-F197 HydrophobicContact CB-CZ 4.44Å; I114-F197 HydrophobicContact CG1-CD1 3.9Å; I114-F197 HydrophobicContact CG1-CE1 3.63Å; I114-F197 HydrophobicContact CG1-CE2 4.31Å; I114-F197 HydrophobicContact CG1-CG 4.3Å; I114-F197 HydrophobicContact CG1-CZ 3.84Å; I190-F197 HydrophobicContact CB-CE1 4.02Å; I190-F197 HydrophobicContact CB-CZ 4.3Å; I190-F197 HydrophobicContact CG2-CE1 3.67Å; I190-F197 HydrophobicContact CG2-CZ 3.83Å; A192-F197 HydrophobicContact CB-CE2 3.75Å; A192-F197 HydrophobicContact CB-CZ 3.83Å; A193-F197 WeakPolarHBondContact O-CD2 3.46Å; S194-F197 PolarHBondContact O-N 2.9Å; F197-V199 PolarHBondContact O-N 2.93Å
198P86Confident84.3Confident15 Ų1546.8 Ų46.810%0.09728%0.277CS..  trans-51.9132.3167.6-32.740.3000112.9E54 W56 F59 T200E54-P198 WeakPolarHBondContact O-CB 3.4Å; E54-P198 WeakPolarHBondContact O-CG 3.34Å; W56-P198 HydrophobicContact CD2-CB 4.1Å; W56-P198 HydrophobicContact CD2-CG 4.02Å; W56-P198 HydrophobicContact CE3-CG 4.41Å; W56-P198 HydrophobicContact CG-CB 4.03Å; W56-P198 HydrophobicContact CG-CG 4.2Å; W56-P198 PolarHBondContact NE1-O 3.17Å; F59-P198 HydrophobicContact CB-CG 3.66Å; F59-P198 HydrophobicContact CD1-CG 4.41Å; F59-P198 HydrophobicContact CD2-CG 4.39Å; F59-P198 HydrophobicContact CG-CG 3.92Å; P198-T200 PolarHBondContact O-N 3.4Å
199V80Confident82.8Confident129 Ų12954.9 Ų54.978%0.78232%0.315SS*.SBendtrans-75.3-0.1174.7-164.30000111.9F197F197-V199 PolarHBondContact O-N 2.93Å
200T74.4Confident81Confident20 Ų2057.2 Ų57.212%0.12333%0.33CS..SBendtrans-80.9173.5-178.258.90000112.3W56 P198 Q202 V258W56-T200 PolarHBondContact NE1-O 3.4Å; W56-T200 VanDerWaalsContact NE1-O 3.12Å; P198-T200 PolarHBondContact O-N 3.4Å; T200-Q202 PolarHBondContact O-N 3.43Å; T200-V258 VanDerWaalsContact CB-CG2 3.48Å; T200-V258 HydrophobicContact CG2-CB 4.39Å; T200-V258 HydrophobicContact CG2-CG2 3.51Å
201V76.3Confident78.9Confident99 Ų9964.5 Ų64.560%0.636%0.358SS*.PPolyproline II helixtrans-52.4116.7-177.9179.90000110.8L256V201-L256 WeakPolarHBondContact O-CD2 3.42Å
202Q81.1Confident76.9Confident78 Ų7869.2 Ų69.236%0.36439%0.387SS..PPolyproline II helixtrans-65.2142.7-175.9-167.1-173.2-12.200111.8W56 I114 T200 H205W56-Q202 HydrophobicContact CZ2-CG 4.04Å; I114-Q202 HydrophobicContact CG2-CG 4.28Å; T200-Q202 PolarHBondContact O-N 3.43Å; Q202-H205 PolarHBondContact NE2-CE1 2.94Å; Q202-H205 PolarHBondContact NE2-NE2 3.08Å
203P83.3Confident74.7Confident3 Ų375.2 Ų75.22%0.01942%0.418CS..PPolyproline II helixtrans-54.1149.1169.320-32.3000112.4W56 I114 V116 H205 L256W56-P203 HydrophobicContact CD2-CG 4.05Å; W56-P203 HydrophobicContact CE3-CG 3.85Å; W56-P203 HydrophobicContact CZ3-CG 4.16Å; I114-P203 HydrophobicContact CG2-CG 4.42Å; V116-P203 HydrophobicContact CB-CG 4.43Å; V116-P203 HydrophobicContact CG1-CB 3.95Å; V116-P203 HydrophobicContact CG1-CG 4.22Å; V116-P203 HydrophobicContact CG2-CB 3.99Å; V116-P203 HydrophobicContact CG2-CG 3.41Å; V116-P203 VanDerWaalsContact CG2-CG 3.41Å; P203-H205 PolarHBondContact O-N 3.49Å; P203-L256 HydrophobicContact CB-CD1 3.8Å; P203-L256 HydrophobicContact CB-CD2 4.27Å
204P83.9Confident72.7Confident95 Ų9575.3 Ų75.362%0.61742%0.419SS*.PPolyproline II helixtrans-59.4128.4172.826.6-33.2000109.2C206P204-C206 PolarHBondContact O-N 3.41Å
205H83.8Confident70.8Confident113 Ų11379.6 Ų79.652%0.52344%0.443SS..PPolyproline II helixtrans-58.2122.9175.6-79.6-83.7000110.1S115 Q202 P203S115-H205 PolarHBondContact OG-ND1 3.16Å; Q202-H205 PolarHBondContact NE2-CE1 2.94Å; Q202-H205 PolarHBondContact NE2-NE2 3.08Å; P203-H205 PolarHBondContact O-N 3.49Å
206C86.4Confident69.3Low24 Ų2478.2 Ų78.216%0.16244%0.439CS..PPolyproline II helixtrans-81.6140.916755.40000109.9S115 V116 S117 C187 P204S115-C206 PolarHBondContact OG-O 3.15Å; V116-C206 PolarHBondContact N-SG 2.98Å; V116-C206 VanDerWaalsContact N-SG 3.38Å; V116-C206 PolarHBondContact O-SG 3.32Å; V116-C206 VanDerWaalsContact O-SG 3.34Å; S117-C206 PolarHBondContact N-SG 3.2Å; C187-C206 WeakPolarHBondContact CA-SG 3.37Å; C187-C206 HydrophobicContact CB-CB 3.92Å; C187-C206 WeakPolarHBondContact CB-SG 3.46Å; C187-C206 VanDerWaalsContact SG-C 3.53Å; C187-C206 WeakPolarHBondContact SG-CB 3.19Å; C187-C206 PolarHBondContact SG-O 2.8Å; C187-C206 CovalentContact SG-SG 2.04Å; C187-C206 PolarHBondContact SG-SG 3.38Å; P204-C206 PolarHBondContact O-N 3.41Å
207V76.4Confident67.9Low123 Ų12385.9 Ų85.975%0.74547%0.468SS*.  trans-108.7120.1162.5-178.90000104.8E209V207-E209 PolarHBondContact O-N 3.16Å
208P64.9Low66.8Low34 Ų3489.2 Ų89.222%0.22148%0.48CS..  trans-60.3130.5173.224.1-28.6000107.7T163 C187 T210T163-P208 HydrophobicContact CG2-CB 3.4Å; T163-P208 HydrophobicContact CG2-CG 3.61Å; C187-P208 HydrophobicContact CB-CB 4.02Å; C187-P208 HydrophobicContact CB-CG 4.35Å; P208-T210 PolarHBondContact O-N 2.83Å; P208-T210 PolarHBondContact O-OG1 3.13Å; P208-T210 VanDerWaalsContact O-OG1 3.09Å
209E60.5Low65.7Low170 Ų17091.6 Ų91.679%0.79449%0.489SS*.  trans-59.392.5166.8-73-173.817200106.6V207 Y211V207-E209 PolarHBondContact O-N 3.16Å; E209-Y211 PolarHBondContact O-N 3.2Å
210T54.1Low65.1Low85 Ų8585.5 Ų85.552%0.52145%0.452SS..  trans-73.1132.7-168.9-10.90000106P208 T212P208-T210 PolarHBondContact O-N 2.83Å; P208-T210 PolarHBondContact O-OG1 3.13Å; P208-T210 VanDerWaalsContact O-OG1 3.09Å; T210-T212 PolarHBondContact O-N 3.07Å
211Y50Low64.9Low153 Ų15386.7 Ų86.760%0.646%0.456SS*.  trans-56.197.4156.2-127.6-97.4000106.3E209 N213 A214E209-Y211 PolarHBondContact O-N 3.2Å; Y211-N213 PolarHBondContact O-N 3Å; Y211-A214 PolarHBondContact O-N 3.21Å
212T48.7Very low64.7Low129 Ų12982.3 Ų82.379%0.79143%0.429SS*.THydrogen-bonded Turntrans-59.8-9.1-17742.70000112.9T210T210-T212 PolarHBondContact O-N 3.07Å
213N46.6Very low64.4Low130 Ų13081.6 Ų81.670%0.69543%0.43SS*.THydrogen-bonded Turntrans-114.511.6-179.1-67.4-31.9000114.5Y211 T215Y211-N213 PolarHBondContact O-N 3Å; N213-T215 PolarHBondContact O-N 2.91Å
214A48.5Very low64.2Low34 Ų3482.5 Ų82.528%0.28144%0.436SS..  trans-76.491.6176.200000110.6Y211 S216Y211-A214 PolarHBondContact O-N 3.21Å; A214-S216 PolarHBondContact O-N 2.85Å
215T44.8Very low64.1Low146 Ų14679.6 Ų79.690%0.89641%0.412SS*.SBendtrans-67-8.9174.8440000114N213N213-T215 PolarHBondContact O-N 2.91Å
216S52Low63.8Low41 Ų4176.8 Ų76.829%0.28740%0.402SS..SBendtrans-147.9127.4179.355.80000110.9A214 Y218A214-S216 PolarHBondContact O-N 2.85Å; S216-Y218 VanDerWaalsContact OG-CE2 3.28Å; S216-Y218 WeakPolarHBondContact OG-CE2 3.43Å
217W57.5Low63Low170 Ų17077.3 Ų77.364%0.64441%0.405SS*.  trans-86.7114.9170.4-58.5-30.3000109.3H137 K219H137-W217 AromaticContact CE1-CD1 3.48Å; H137-W217 VanDerWaalsContact CE1-CD1 3.48Å; H137-W217 AromaticContact CE1-CG 3.71Å; H137-W217 AromaticContact CE1-NE1 3.93Å; H137-W217 AromaticContact ND1-CD1 3.93Å; H137-W217 AromaticContact ND1-CG 3.89Å; W217-K219 PolarHBondContact O-N 2.79Å
218Y62.8Low62.8Low83 Ų8377.2 Ų77.233%0.32540%0.401SS..  trans-85.1100.2170.6-68.7-85000107.4N134 T136 H137 S216N134-Y218 HydrophobicContact CB-CD2 4.09Å; N134-Y218 HydrophobicContact CB-CE2 4.12Å; N134-Y218 WeakPolarHBondContact O-CD2 3.22Å; T136-Y218 PolarHBondContact N-O 2.91Å; H137-Y218 PolarHBondContact N-O 3.28Å; H137-Y218 VanDerWaalsContact O-O 3.08Å; S216-Y218 VanDerWaalsContact OG-CE2 3.28Å; S216-Y218 WeakPolarHBondContact OG-CE2 3.43Å
219K63.5Low63Low64 Ų6477.4 Ų77.428%0.27840%0.401SS..EExtended strand (participates in β ladder)trans-94.5120.6179.2-167.6174.6-171.9179.40108.8H137 W217 F221H137-K219 WeakPolarHBondContact O-CA 2.93Å; W217-K219 PolarHBondContact O-N 2.79Å; K219-F221 HydrophobicContact CD-CE2 4.36Å; K219-F221 HydrophobicContact CD-CZ 4.49Å; K219-F221 HydrophobicContact CG-CE2 4.42Å
220V68.1Low63.1Low1 Ų175.3 Ų75.31%0.00639%0.39CS..EExtended strand (participates in β ladder)trans-111.5127.2172.6-173.70000108.7V70 T75 I135 H137 L138 Y139V70-V220 HydrophobicContact CG1-CB 4.19Å; V70-V220 HydrophobicContact CG1-CG1 3.59Å; T75-V220 HydrophobicContact CG2-CG2 4.2Å; I135-V220 HydrophobicContact CD1-CG2 3.55Å; I135-V220 HydrophobicContact CG1-CG2 3.88Å; I135-V220 HydrophobicContact CG2-CG2 4.17Å; H137-V220 PolarHBondContact O-N 3.46Å; H137-V220 VanDerWaalsContact O-N 3.15Å; L138-V220 HydrophobicContact CD2-CB 4.01Å; Y139-V220 PolarHBondContact N-O 2.9Å
221F70.3Confident63.6Low45 Ų4581.2 Ų81.220%0.19740%0.404CS..EExtended strand (participates in β ladder)trans-80.4135.7173.8-68.1-109.2000109.2E74 I76 Y139 K219E74-F221 HydrophobicContact CB-CB 3.67Å; E74-F221 HydrophobicContact CB-CD2 4.28Å; E74-F221 HydrophobicContact CB-CG 4.24Å; E74-F221 HydrophobicContact CG-CB 4.5Å; E74-F221 WeakPolarHBondContact O-CD2 3.41Å; E74-F221 PolarHBondContact O-N 2.9Å; E74-F221 WeakPolarHBondContact OE2-CB 3.34Å; I76-F221 HydrophobicContact CB-CE2 4.21Å; I76-F221 HydrophobicContact CD1-CE2 3.45Å; I76-F221 VanDerWaalsContact CD1-CE2 3.45Å; I76-F221 HydrophobicContact CD1-CZ 3.54Å; I76-F221 HydrophobicContact CG1-CD2 4.45Å; I76-F221 HydrophobicContact CG1-CE2 3.59Å; I76-F221 HydrophobicContact CG1-CZ 4.21Å; Y139-F221 AromaticContact CD1-CD1 3.36Å; Y139-F221 HydrophobicContact CD1-CD1 3.36Å; Y139-F221 AromaticContact CD1-CE1 3.36Å; Y139-F221 HydrophobicContact CD1-CE1 3.36Å; Y139-F221 HydrophobicContact CD1-CG 4.22Å; Y139-F221 HydrophobicContact CD1-CZ 4.24Å; Y139-F221 AromaticContact CE1-CD1 3.89Å; Y139-F221 HydrophobicContact CE1-CD1 3.89Å; Y139-F221 AromaticContact CE1-CE1 3.6Å; Y139-F221 HydrophobicContact CE1-CE1 3.6Å; Y139-F221 HydrophobicContact CG-CD1 4.32Å; Y139-F221 HydrophobicContact CG-CE1 4.22Å; Y139-F221 CarbonylContact O-C 3.56Å; Y139-F221 VanDerWaalsContact O-CA 3.27Å; Y139-F221 WeakPolarHBondContact O-CA 3.3Å; K219-F221 HydrophobicContact CD-CE2 4.36Å; K219-F221 HydrophobicContact CD-CZ 4.49Å; K219-F221 HydrophobicContact CG-CE2 4.42Å
222T70.6Confident64.3Low7 Ų776.2 Ų76.24%0.04339%0.391CS..EExtended strand (participates in β ladder)trans-118.2130.8-177.365.70000109.6C69 V70 L138 Y139 A140C69-T222 WeakPolarHBondContact O-CA 3.33Å; C69-T222 VanDerWaalsContact O-CB 3.26Å; C69-T222 WeakPolarHBondContact O-CB 3.37Å; V70-T222 HydrophobicContact CB-CG2 4.34Å; V70-T222 HydrophobicContact CG1-CG2 4.5Å; V70-T222 HydrophobicContact CG2-CG2 3.77Å; L138-T222 HydrophobicContact CB-CG2 4.32Å; L138-T222 HydrophobicContact CD2-CG2 4.33Å; Y139-T222 PolarHBondContact O-N 2.78Å; Y139-T222 PolarHBondContact O-OG1 3.12Å; A140-T222 WeakPolarHBondContact CB-OG1 3.48Å
223T76.3Confident64.9Low64 Ų6479.9 Ų79.939%0.39340%0.399SS..EExtended strand (participates in β ladder)trans-79143.2171.659.20000109.2F68 C69F68-T223 CarbonylContact C-O 3.59Å; F68-T223 WeakPolarHBondContact CA-O 3.42Å; C69-T223 WeakPolarHBondContact CB-OG1 3.19Å; C69-T223 PolarHBondContact N-O 2.82Å; C69-T223 PolarHBondContact O-N 2.8Å
224V78.9Confident65.8Low22 Ų2280.7 Ų80.713%0.13340%0.404CS..EExtended strand (participates in β ladder)trans-116.9139.5-174.9-174.60000110.4L66 D67 F68 A140 V142 Q146L66-V224 HydrophobicContact CB-CG1 3.92Å; L66-V224 HydrophobicContact CD1-CG1 3.96Å; L66-V224 HydrophobicContact CD2-CG1 3.92Å; L66-V224 HydrophobicContact CG-CG1 4.16Å; D67-V224 WeakPolarHBondContact O-CA 3.32Å; F68-V224 HydrophobicContact CD1-CG1 4.46Å; F68-V224 HydrophobicContact CD1-CG2 3.44Å; F68-V224 VanDerWaalsContact CD1-CG2 3.44Å; F68-V224 HydrophobicContact CE1-CG1 4.23Å; F68-V224 HydrophobicContact CE1-CG2 3.55Å; F68-V224 HydrophobicContact CG-CG2 4.37Å; A140-V224 HydrophobicContact CB-CG2 3.7Å; V142-V224 HydrophobicContact CG1-CB 3.75Å; V142-V224 HydrophobicContact CG1-CG1 3.67Å; V142-V224 HydrophobicContact CG1-CG2 3.58Å; Q146-V224 PolarHBondContact NE2-O 2.93Å
225R80.8Confident66.8Low33 Ų3383.3 Ų83.313%0.12541%0.407CS..EExtended strand (participates in β ladder)trans-136.5142.5-179.5-171.3-176.6175.9162.110110.2L66 D67 S227 T229 N236 W239L66-R225 WeakPolarHBondContact CA-O 3.17Å; D67-R225 PolarHBondContact N-O 2.6Å; D67-R225 PolarHBondContact O-N 3.29Å; R225-S227 PolarHBondContact O-N 3.43Å; R225-T229 PolarHBondContact NE-OG1 2.79Å; R225-T229 PolarHBondContact NH2-O 3.27Å; R225-T229 PolarHBondContact NH2-OG1 3.14Å; R225-N236 PolarHBondContact NH1-O 3.23Å; R225-W239 HydrophobicContact CB-CD2 4.4Å; R225-W239 HydrophobicContact CB-CE3 4.05Å; R225-W239 HydrophobicContact CB-CH2 4.14Å; R225-W239 HydrophobicContact CB-CZ2 4.49Å; R225-W239 HydrophobicContact CB-CZ3 3.88Å
226D78.6Confident68.4Low55 Ų5580.3 Ų80.329%0.29439%0.385SS..EExtended strand (participates in β ladder)trans-70.3124.8167.7173.2-1000109.8D228 T229D226-D228 PolarHBondContact O-N 3.23Å; D226-D228 PolarHBondContact OD1-N 2.8Å; D226-T229 HydrophobicContact CB-CG2 3.79Å; D226-T229 WeakPolarHBondContact O-CB 3.28Å; D226-T229 PolarHBondContact O-N 3.34Å; D226-T229 PolarHBondContact O-OG1 3.24Å
227S69.8Low69.5Low34 Ų3482 Ų8224%0.23840%0.395CS..G310 helixtrans-60.9-29.9-178.265.90000113.4D65 R225 T229D65-S227 WeakPolarHBondContact O-CB 3.15Å; D65-S227 PolarHBondContact O-N 3.47Å; D65-S227 PolarHBondContact O-OG 2.85Å; R225-S227 PolarHBondContact O-N 3.43Å; S227-T229 VanDerWaalsContact C-N 3.26Å; S227-T229 PolarHBondContact O-N 2.85Å
228D71.2Confident70.5Confident122 Ų12280.6 Ų80.665%0.65239%0.394SS*.G310 helixtrans-76.3-14.1-178.5-81.7-20.5000113D226 K230D226-D228 PolarHBondContact O-N 3.23Å; D226-D228 PolarHBondContact OD1-N 2.8Å; D228-K230 PolarHBondContact O-N 2.96Å
229T70Confident71.5Confident37 Ų3779.1 Ų79.123%0.22739%0.388CS..G310 helixtrans-67.91.4177.264.60000113.6R225 D226 S227 Y231 S232 Y235R225-T229 PolarHBondContact NE-OG1 2.79Å; R225-T229 PolarHBondContact NH2-O 3.27Å; R225-T229 PolarHBondContact NH2-OG1 3.14Å; D226-T229 HydrophobicContact CB-CG2 3.79Å; D226-T229 WeakPolarHBondContact O-CB 3.28Å; D226-T229 PolarHBondContact O-N 3.34Å; D226-T229 PolarHBondContact O-OG1 3.24Å; S227-T229 VanDerWaalsContact C-N 3.26Å; S227-T229 PolarHBondContact O-N 2.85Å; T229-Y231 PolarHBondContact O-N 3.33Å; T229-Y231 VanDerWaalsContact O-N 3.1Å; T229-S232 PolarHBondContact O-N 2.95Å; T229-S232 VanDerWaalsContact O-N 3.12Å; T229-S232 PolarHBondContact O-OG 3.09Å; T229-S232 VanDerWaalsContact O-OG 3.05Å; T229-Y235 WeakPolarHBondContact O-CD2 2.89Å
230K62.2Low72.5Confident127 Ų12776.4 Ų76.455%0.55238%0.377SS*.G310 helixtrans-53.7-27.9175.3-164.9173.2179.9179.90114D228 Y235D228-K230 PolarHBondContact O-N 2.96Å; K230-Y235 HydrophobicContact CB-CD2 4.42Å; K230-Y235 HydrophobicContact CB-CE2 4.17Å; K230-Y235 HydrophobicContact CG-CD2 4.4Å; K230-Y235 HydrophobicContact CG-CE2 3.88Å
231Y63.6Low73.3Confident209 Ų20982.2 Ų82.282%0.8240%0.4SS*.G310 helixtrans-107.65.5-177.3-60.5-79.9000113.9T229T229-Y231 PolarHBondContact O-N 3.33Å; T229-Y231 VanDerWaalsContact O-N 3.1Å
232S65.7Low73.9Confident48 Ų4884.8 Ų84.834%0.33641%0.411SS..SBendtrans-79.5154.2177.975.90000111.7T229 D234 Y235T229-S232 PolarHBondContact O-N 2.95Å; T229-S232 VanDerWaalsContact O-N 3.12Å; T229-S232 PolarHBondContact O-OG 3.09Å; T229-S232 VanDerWaalsContact O-OG 3.05Å; S232-D234 PolarHBondContact O-N 2.84Å; S232-Y235 VanDerWaalsContact O-CB 3.3Å; S232-Y235 WeakPolarHBondContact O-CB 3.47Å; S232-Y235 PolarHBondContact O-N 2.77Å
233Q61.5Low74.7Confident205 Ų20584.5 Ų84.596%0.95841%0.409SS*.THydrogen-bonded Turntrans-63.4-21.4175.9-75.1178.5-15.200112.6Y235Q233-Y235 VanDerWaalsContact C-N 3.3Å; Q233-Y235 PolarHBondContact O-N 2.89Å
234D64.3Low75.3Confident148 Ų14881.4 Ų81.479%0.79139%0.39SS*.THydrogen-bonded Turntrans-90.815.1178.7-57.2-47000113.2S232 N236S232-D234 PolarHBondContact O-N 2.84Å; D234-N236 PolarHBondContact O-N 3.21Å
235Y71.5Confident75.8Confident88 Ų8882.2 Ų82.235%0.34539%0.393SS..  trans-65.7108.3-178.2-179.5-98.2000112.2T229 K230 S232 Q233 P237T229-Y235 WeakPolarHBondContact O-CD2 2.89Å; K230-Y235 HydrophobicContact CB-CD2 4.42Å; K230-Y235 HydrophobicContact CB-CE2 4.17Å; K230-Y235 HydrophobicContact CG-CD2 4.4Å; K230-Y235 HydrophobicContact CG-CE2 3.88Å; S232-Y235 VanDerWaalsContact O-CB 3.3Å; S232-Y235 WeakPolarHBondContact O-CB 3.47Å; S232-Y235 PolarHBondContact O-N 2.77Å; Q233-Y235 VanDerWaalsContact C-N 3.3Å; Q233-Y235 PolarHBondContact O-N 2.89Å; Y235-P237 HydrophobicContact CD1-CB 4.35Å; Y235-P237 HydrophobicContact CE1-CB 3.73Å; Y235-P237 VanDerWaalsContact O-CD 3.26Å; Y235-P237 WeakPolarHBondContact O-CD 3.29Å
236N78.2Confident76.2Confident84 Ų8480.6 Ų80.645%0.44939%0.387SS..  trans-87.2110.7167.2-176.30.3000110.4R225 D234 F238 W239R225-N236 PolarHBondContact NH1-O 3.23Å; D234-N236 PolarHBondContact O-N 3.21Å; N236-F238 PolarHBondContact O-N 3.29Å; N236-F238 PolarHBondContact OD1-N 3.27Å; N236-W239 HydrophobicContact CB-CB 4.38Å; N236-W239 PolarHBondContact O-N 3.47Å
237P74.1Confident76.9Confident76 Ų7681.1 Ų81.149%0.49439%0.387SS..THydrogen-bonded Turntrans-68.2-18.4177.925-32000113.6Y235Y235-P237 HydrophobicContact CD1-CB 4.35Å; Y235-P237 HydrophobicContact CE1-CB 3.73Å; Y235-P237 VanDerWaalsContact O-CD 3.26Å; Y235-P237 WeakPolarHBondContact O-CD 3.29Å
238F78.8Confident77.9Confident140 Ų14079.5 Ų79.561%0.61438%0.375SS*.THydrogen-bonded Turntrans-104.416.2-176-60.3-69.7000113.1N236 C240 Y241N236-F238 PolarHBondContact O-N 3.29Å; N236-F238 PolarHBondContact OD1-N 3.27Å; F238-C240 PolarHBondContact O-N 2.99Å; F238-C240 VanDerWaalsContact O-N 3.15Å; F238-Y241 AromaticContact CD1-CD2 3.93Å; F238-Y241 HydrophobicContact CD1-CD2 3.93Å; F238-Y241 HydrophobicContact CD1-CG 4.48Å; F238-Y241 WeakPolarHBondContact O-CB 3.43Å; F238-Y241 PolarHBondContact O-N 3.23Å
239W83.2Confident78.8Confident52 Ų5278.6 Ų78.620%0.19736%0.364CS..THydrogen-bonded Turntrans-58.4-29.3-177.377.5-82000113.3D67 C69 R225 N236 I245D67-W239 HydrophobicContact CB-CH2 3.63Å; D67-W239 HydrophobicContact CB-CZ2 3.73Å; D67-W239 WeakPolarHBondContact O-CH2 3.42Å; C69-W239 HydrophobicContact CB-CE3 3.89Å; C69-W239 HydrophobicContact CB-CH2 3.9Å; C69-W239 HydrophobicContact CB-CZ3 3.36Å; R225-W239 HydrophobicContact CB-CD2 4.4Å; R225-W239 HydrophobicContact CB-CE3 4.05Å; R225-W239 HydrophobicContact CB-CH2 4.14Å; R225-W239 HydrophobicContact CB-CZ2 4.49Å; R225-W239 HydrophobicContact CB-CZ3 3.88Å; N236-W239 HydrophobicContact CB-CB 4.38Å; N236-W239 PolarHBondContact O-N 3.47Å; W239-I245 HydrophobicContact CZ2-CG1 4.37Å
240C85.4Confident79.6Confident8 Ų877.8 Ų77.85%0.05436%0.357CS..THydrogen-bonded Turntrans-120.843.3172-160.10000112.6C69 F238 K242 G243 I245C69-C240 WeakPolarHBondContact CA-SG 3.48Å; C69-C240 HydrophobicContact CB-CB 3.57Å; C69-C240 WeakPolarHBondContact CB-SG 3.48Å; C69-C240 WeakPolarHBondContact SG-CA 3.26Å; C69-C240 WeakPolarHBondContact SG-CB 3.45Å; C69-C240 CovalentContact SG-SG 2.04Å; C69-C240 PolarHBondContact SG-SG 2.8Å; F238-C240 PolarHBondContact O-N 2.99Å; F238-C240 VanDerWaalsContact O-N 3.15Å; C240-K242 PolarHBondContact O-N 2.84Å; C240-G243 PolarHBondContact O-N 3.27Å; C240-I245 HydrophobicContact CB-CG1 4.22Å
241Y84.1Confident80.4Confident123 Ų12375.5 Ų75.548%0.48236%0.362SS..THydrogen-bonded Turntrans-63130.7177.5-177.7-110.7000111.1P127 F238 G243P127-Y241 HydrophobicContact CG-CE2 4Å; F238-Y241 AromaticContact CD1-CD2 3.93Å; F238-Y241 HydrophobicContact CD1-CD2 3.93Å; F238-Y241 HydrophobicContact CD1-CG 4.48Å; F238-Y241 WeakPolarHBondContact O-CB 3.43Å; F238-Y241 PolarHBondContact O-N 3.23Å; Y241-G243 PolarHBondContact O-N 3.16Å; Y241-G243 VanDerWaalsContact O-N 3.1Å
242K84.3Confident81Confident98 Ų9871.1 Ų71.143%0.42635%0.352SS..THydrogen-bonded Turntrans619.4-177.6-71178175-175.10116.2P127 G129 C240P127-K242 HydrophobicContact CG-CG 4.3Å; P127-K242 WeakPolarHBondContact O-CA 3.49Å; P127-K242 VanDerWaalsContact O-CG 3.24Å; P127-K242 WeakPolarHBondContact O-CG 3.2Å; G129-K242 PolarHBondContact N-O 2.91Å; C240-K242 PolarHBondContact O-N 2.84Å
243G86.4Confident81Confident1 Ų171.1 Ų71.11%0.0135%0.348CS..SBendtrans-99.9-167.4176.700000113.3V70 V125 F128 C240 Y241V70-G243 CarbonylContact O-C 3.57Å; V70-G243 WeakPolarHBondContact O-CA 3.13Å; V125-G243 PolarHBondContact N-O 3.08Å; F128-G243 WeakPolarHBondContact CD2-O 3.33Å; C240-G243 PolarHBondContact O-N 3.27Å; Y241-G243 PolarHBondContact O-N 3.16Å; Y241-G243 VanDerWaalsContact O-N 3.1Å
244A87.9Confident81.1Confident0 Ų066.2 Ų66.20%034%0.335CS..EExtended strand (participates in β ladder)trans-120.7137.9170.600000110.1V70 D123 F128 W168V70-A244 HydrophobicContact CB-CB 4.45Å; V70-A244 PolarHBondContact N-O 3.43Å; V70-A244 PolarHBondContact O-N 3.48Å; D123-A244 CarbonylContact O-C 3.55Å; D123-A244 VanDerWaalsContact O-CA 3.3Å; D123-A244 WeakPolarHBondContact O-CA 3.28Å; F128-A244 HydrophobicContact CE2-CB 4.15Å; W168-A244 HydrophobicContact CH2-CB 3.54Å; W168-A244 HydrophobicContact CZ2-CB 4.17Å
245I89.6Confident80.9Confident38 Ų3867.5 Ų67.520%0.19533%0.333CS..EExtended strand (participates in β ladder)trans-89.4118.7179.1-63.3170.1000108.7D67 F68 L122 D123 V125 W239 C240 K247D67-I245 HydrophobicContact CB-CG2 4.33Å; F68-I245 CarbonylContact O-C 3.13Å; F68-I245 WeakPolarHBondContact O-CA 3.48Å; L122-I245 WeakPolarHBondContact CA-O 3.48Å; D123-I245 PolarHBondContact N-O 2.87Å; D123-I245 PolarHBondContact O-N 3.24Å; V125-I245 HydrophobicContact CG2-CD1 3.54Å; V125-I245 HydrophobicContact CG2-CG1 3.65Å; W239-I245 HydrophobicContact CZ2-CG1 4.37Å; C240-I245 HydrophobicContact CB-CG1 4.22Å; I245-K247 HydrophobicContact CG2-CG 4.43Å
246G90.3Very high80.2Confident0 Ų063.7 Ų63.70%032%0.318CS..EExtended strand (participates in β ladder)trans-91.1132.3170.600000111.8F68 T121F68-G246 PolarHBondContact N-O 3.43Å; F68-G246 PolarHBondContact O-N 3.31Å; T121-G246 CarbonylContact O-C 3.52Å; T121-G246 WeakPolarHBondContact O-CA 3.46Å
247K91.9Very high79.1Confident65 Ų6562.2 Ų62.228%0.28331%0.313SS..EExtended strand (participates in β ladder)trans-125.1139.2170.6-64.8178.8179-71.20110.1D67 L120 T121 I245 Y249D67-K247 WeakPolarHBondContact OD1-CG 3.44Å; D67-K247 IonicContact OD1-NZ 2.73Å; D67-K247 PolarHBondContact OD1-NZ 3.41Å; D67-K247 IonicContact OD2-NZ 3.63Å; L120-K247 WeakPolarHBondContact CA-O 3.4Å; T121-K247 PolarHBondContact N-O 3.22Å; T121-K247 PolarHBondContact O-N 3.39Å; T121-K247 WeakPolarHBondContact OG1-CB 3.49Å; T121-K247 PolarHBondContact OG1-O 3.41Å; I245-K247 HydrophobicContact CG2-CG 4.43Å; K247-Y249 HydrophobicContact CB-CE2 3.73Å; K247-Y249 WeakPolarHBondContact CD-OH 3.28Å
248V92.1Very high78.1Confident0 Ų060.9 Ų60.90%030%0.303CS..EExtended strand (participates in β ladder)trans-102.6139.8-179.3176.60000108.8F63 N64 F68 I118 T119 L120 F162F63-V248 HydrophobicContact CB-CG1 4.3Å; N64-V248 WeakPolarHBondContact CA-O 3.34Å; N64-V248 PolarHBondContact OD1-O 3.01Å; F68-V248 HydrophobicContact CD2-CG2 4.02Å; F68-V248 HydrophobicContact CE2-CB 4.33Å; F68-V248 HydrophobicContact CE2-CG2 3.44Å; F68-V248 VanDerWaalsContact CE2-CG2 3.44Å; F68-V248 HydrophobicContact CZ-CG2 4.14Å; I118-V248 HydrophobicContact CD1-CG1 3.13Å; I118-V248 HydrophobicContact CG1-CG1 3.53Å; I118-V248 HydrophobicContact CG2-CG1 4.21Å; T119-V248 CarbonylContact O-C 3.55Å; T119-V248 WeakPolarHBondContact O-CA 3.24Å; L120-V248 HydrophobicContact CD1-CG2 3.91Å; F162-V248 HydrophobicContact CE1-CG2 3.68Å; F162-V248 HydrophobicContact CZ-CG2 3.6Å
249Y89.2Confident76.9Confident103 Ų10359.3 Ų59.340%0.40430%0.3SS..EExtended strand (participates in β ladder)trans-132.9110.3177.5-62.8-79.6000110.1N64 I118 T119 T121 K247N64-Y249 WeakPolarHBondContact OD1-CA 3.27Å; I118-Y249 WeakPolarHBondContact CG1-O 3.47Å; T119-Y249 WeakPolarHBondContact CB-O 3.44Å; T119-Y249 PolarHBondContact N-O 3.49Å; T119-Y249 VanDerWaalsContact N-O 3.16Å; T119-Y249 PolarHBondContact O-N 3.2Å; T121-Y249 HydrophobicContact CG2-CD2 3.86Å; T121-Y249 HydrophobicContact CG2-CE2 3.64Å; K247-Y249 HydrophobicContact CB-CE2 3.73Å; K247-Y249 WeakPolarHBondContact CD-OH 3.28Å
250H86.8Confident75.1Confident21 Ų2158.5 Ų58.510%0.09730%0.301CS..PPolyproline II helixtrans-87.4123.6168-176.652.5000111.3N57 L60 N64 I118N57-H250 PolarHBondContact OD1-NE2 3.03Å; L60-H250 HydrophobicContact CB-CB 4.13Å; N64-H250 PolarHBondContact OD1-N 2.85Å; I118-H250 HydrophobicContact CD1-CB 4Å; I118-H250 HydrophobicContact CG1-CB 4.37Å
251A79.5Confident73.5Confident79 Ų7961.5 Ų61.565%0.65332%0.32SS*.PPolyproline II helixtrans-86.9122.7169.900000109.3N253A251-N253 PolarHBondContact O-N 2.87Å; A251-N253 VanDerWaalsContact O-N 3.16Å
252L76.1Confident71.9Confident117 Ų11760.8 Ų60.861%0.61332%0.324SS*.PPolyproline II helixtrans-50121179.8-76.5169.8000111.4N57 L61N57-L252 HydrophobicContact CB-CD2 3.79Å; L61-L252 HydrophobicContact CD1-CD2 3.85Å; L61-L252 HydrophobicContact CG-CD2 4.46Å
253N65.6Low70.3Confident47 Ų4762.1 Ų62.125%0.25134%0.336SS..PPolyproline II helixtrans-101.6116.3177.9-171.8-23.6000109.6N57 A251 K255 L256 T257N57-N253 PolarHBondContact ND2-O 3.42Å; N57-N253 PolarHBondContact OD1-N 3.42Å; N57-N253 VanDerWaalsContact OD1-N 3.11Å; A251-N253 PolarHBondContact O-N 2.87Å; A251-N253 VanDerWaalsContact O-N 3.16Å; N253-K255 PolarHBondContact O-N 3.23Å; N253-K255 WeakPolarHBondContact OD1-CB 3.4Å; N253-K255 PolarHBondContact OD1-N 3.02Å; N253-L256 HydrophobicContact CB-CB 4.32Å; N253-L256 HydrophobicContact CB-CD1 3.84Å; N253-L256 HydrophobicContact CB-CG 3.98Å; N253-L256 PolarHBondContact O-N 3.34Å; N253-T257 PolarHBondContact O-N 2.95Å
254P63Low68.8Low103 Ų10366.7 Ų66.767%0.66936%0.361SS*.THydrogen-bonded Turntrans-64.1-14.5-178.726.7-35.1000113.5L256 T257P254-L256 VanDerWaalsContact C-N 3.34Å; P254-T257 PolarHBondContact O-OG1 3.32Å
255K61.2Low67.3Low175 Ų17570 Ų7076%0.76137%0.373SS*.THydrogen-bonded Turntrans-80.1-13.7173.8-59.9-178.6178.8179.30113.7N253N253-K255 PolarHBondContact O-N 3.23Å; N253-K255 WeakPolarHBondContact OD1-CB 3.4Å; N253-K255 PolarHBondContact OD1-N 3.02Å
256L56.9Low65.8Low7 Ų771.3 Ų71.34%0.03739%0.386CS..THydrogen-bonded Turntrans-108.8-8-176.9-57.9178.1000113.2W56 V201 P203 N253 P254 V258W56-L256 HydrophobicContact CB-CB 4.29Å; V201-L256 WeakPolarHBondContact O-CD2 3.42Å; P203-L256 HydrophobicContact CB-CD1 3.8Å; P203-L256 HydrophobicContact CB-CD2 4.27Å; N253-L256 HydrophobicContact CB-CB 4.32Å; N253-L256 HydrophobicContact CB-CD1 3.84Å; N253-L256 HydrophobicContact CB-CG 3.98Å; N253-L256 PolarHBondContact O-N 3.34Å; P254-L256 VanDerWaalsContact C-N 3.34Å; L256-V258 PolarHBondContact O-N 2.96Å
257T55.7Low64.6Low53 Ų5375.7 Ų75.733%0.32541%0.408SS..SBendtrans-76.2109.9164.343.40000107.9N57 N253 P254 I259N57-T257 WeakPolarHBondContact ND2-CG2 3.32Å; N57-T257 PolarHBondContact ND2-N 3.3Å; N253-T257 PolarHBondContact O-N 2.95Å; P254-T257 PolarHBondContact O-OG1 3.32Å; T257-I259 VanDerWaalsContact C-N 3.29Å; T257-I259 PolarHBondContact O-N 2.77Å
258V52.6Low63.4Low48 Ų4876.3 Ų76.329%0.29141%0.414SS..  trans-68.595.2166.8178.30000107.2L52 T200 L256L52-V258 HydrophobicContact CD1-CG1 4.18Å; L52-V258 HydrophobicContact CD2-CG1 4.03Å; T200-V258 VanDerWaalsContact CB-CG2 3.48Å; T200-V258 HydrophobicContact CG2-CB 4.39Å; T200-V258 HydrophobicContact CG2-CG2 3.51Å; L256-V258 PolarHBondContact O-N 2.96Å
259I52.4Low62.2Low108 Ų10878.4 Ų78.455%0.55443%0.425SS*.PPolyproline II helixtrans-69.2131.7166.2-55.3166.7000105.4T257T257-I259 VanDerWaalsContact C-N 3.29Å; T257-I259 PolarHBondContact O-N 2.77Å
260V47.1Very low61.4Low35 Ų3578.8 Ų78.821%0.21243%0.434CS..PPolyproline II helixtrans-47.2131.3174.9174.30000108.8L52 D262L52-V260 HydrophobicContact CD1-CG2 4.36Å; V260-D262 PolarHBondContact O-N 2.76Å; V260-D262 VanDerWaalsContact O-N 3.13Å
261P50.1Low60.9Low71 Ų7183 Ų8346%0.46145%0.453SS..PPolyproline II helixtrans-52.2121.7179.8-23.431.2000110.7D263 D264P261-D263 PolarHBondContact O-N 3.44Å; P261-D263 VanDerWaalsContact O-N 3.08Å; P261-D264 PolarHBondContact O-N 3.15Å
262D50.2Low60.8Low107 Ų10780.4 Ų80.457%0.57243%0.428SS*.Hα-helixtrans-58-22.4178.1-81.4-48.6000112.2V260 R265 S266V260-D262 PolarHBondContact O-N 2.76Å; V260-D262 VanDerWaalsContact O-N 3.13Å; D262-R265 PolarHBondContact O-N 3.2Å; D262-S266 WeakPolarHBondContact O-CB 3.22Å; D262-S266 PolarHBondContact O-N 2.87Å; D262-S266 PolarHBondContact O-OG 2.98Å
263D51.3Low60.8Low126 Ų12680.1 Ų80.167%0.67443%0.425SS*.Hα-helixtrans-62.6-45.4178.8-68.2-31.6000112.1P261 S266 L267P261-D263 PolarHBondContact O-N 3.44Å; P261-D263 VanDerWaalsContact O-N 3.08Å; D263-S266 PolarHBondContact O-N 2.89Å; D263-S266 PolarHBondContact O-OG 3.37Å; D263-L267 WeakPolarHBondContact O-CB 3.41Å; D263-L267 PolarHBondContact O-N 2.85Å
264D56.2Low61.5Low98 Ų9884.1 Ų84.152%0.52444%0.442SS..Hα-helixtrans-73.9-35.1179.4-70.4-21.7000111.9P261 L267 I268P261-D264 PolarHBondContact O-N 3.15Å; D264-L267 PolarHBondContact O-N 2.77Å; D264-I268 WeakPolarHBondContact O-CB 3.27Å; D264-I268 WeakPolarHBondContact O-CD1 3.45Å; D264-I268 VanDerWaalsContact O-CG1 3.26Å; D264-I268 WeakPolarHBondContact O-CG1 3.36Å; D264-I268 PolarHBondContact O-N 2.8Å
265R56.5Low62.4Low70 Ų7081.9 Ų81.926%0.26443%0.427SS..Hα-helixtrans-67-39.4175-168.3179.9-175.6-1695111.3F42 K43 D262 N269F42-R265 VanDerWaalsContact O-CZ 3.27Å; F42-R265 PolarHBondContact O-NE 2.77Å; F42-R265 PolarHBondContact O-NH2 2.89Å; K43-R265 VanDerWaalsContact C-NH2 3.33Å; K43-R265 PolarHBondContact O-NH2 3.14Å; D262-R265 PolarHBondContact O-N 3.2Å; R265-N269 WeakPolarHBondContact O-CB 3.36Å; R265-N269 PolarHBondContact O-N 2.85Å
266S57.4Low63.4Low65 Ų6573.8 Ų73.846%0.45539%0.392SS..Hα-helixtrans-69.1-39.517779.30000111.2D262 D263 L270D262-S266 WeakPolarHBondContact O-CB 3.22Å; D262-S266 PolarHBondContact O-N 2.87Å; D262-S266 PolarHBondContact O-OG 2.98Å; D263-S266 PolarHBondContact O-N 2.89Å; D263-S266 PolarHBondContact O-OG 3.37Å; S266-L270 WeakPolarHBondContact O-CB 3.21Å; S266-L270 PolarHBondContact O-N 3.13Å
267L64.6Low64.8Low91 Ų9181.2 Ų81.248%0.47642%0.421SS..Hα-helixtrans-66.4-47.2177.6-163.6101.8000111.5D263 D264 L270 H271D263-L267 WeakPolarHBondContact O-CB 3.41Å; D263-L267 PolarHBondContact O-N 2.85Å; D264-L267 PolarHBondContact O-N 2.77Å; L267-L270 PolarHBondContact O-N 2.89Å; L267-H271 WeakPolarHBondContact O-CB 3.1Å; L267-H271 PolarHBondContact O-CD2 3.47Å; L267-H271 PolarHBondContact O-N 2.96Å
268I67.9Low66.3Low78 Ų7884.4 Ų84.440%0.443%0.43SS..Hα-helixtrans-63.9-43.1177.5-68.9166000110.7D264 H271 L272D264-I268 WeakPolarHBondContact O-CB 3.27Å; D264-I268 WeakPolarHBondContact O-CD1 3.45Å; D264-I268 VanDerWaalsContact O-CG1 3.26Å; D264-I268 WeakPolarHBondContact O-CG1 3.36Å; D264-I268 PolarHBondContact O-N 2.8Å; I268-H271 PolarHBondContact O-N 3.14Å; I268-L272 HydrophobicContact CG2-CD1 3.6Å; I268-L272 WeakPolarHBondContact O-CB 3.26Å; I268-L272 WeakPolarHBondContact O-CD1 3.48Å; I268-L272 WeakPolarHBondContact O-CG 3.45Å; I268-L272 PolarHBondContact O-N 2.85Å
269N66.1Low67.9Low45 Ų4583.5 Ų83.524%0.24142%0.424CS..Hα-helixtrans-66.9-37.6176.2-172.630.1000112R265 L272 M273R265-N269 WeakPolarHBondContact O-CB 3.36Å; R265-N269 PolarHBondContact O-N 2.85Å; N269-L272 PolarHBondContact O-N 3.37Å; N269-M273 WeakPolarHBondContact O-CB 3.44Å; N269-M273 PolarHBondContact O-N 2.83Å
270L71.9Confident69.5Low110 Ų11081.9 Ų81.958%0.57641%0.413SS*.Hα-helixtrans-62.9-45.6174.6-174.875.7000110.7S266 L267 M273 H274S266-L270 WeakPolarHBondContact O-CB 3.21Å; S266-L270 PolarHBondContact O-N 3.13Å; L267-L270 PolarHBondContact O-N 2.89Å; L270-M273 PolarHBondContact O-N 2.66Å; L270-H274 VanDerWaalsContact O-CB 3.25Å; L270-H274 WeakPolarHBondContact O-CB 3.37Å; L270-H274 PolarHBondContact O-N 2.63Å
271H77.6Confident71.4Confident111 Ų11183.1 Ų83.151%0.51442%0.42SS..Hα-helixtrans-67-42.8177.3-73.8-58.1000112.3L267 I268 T275L267-H271 WeakPolarHBondContact O-CB 3.1Å; L267-H271 PolarHBondContact O-CD2 3.47Å; L267-H271 PolarHBondContact O-N 2.96Å; I268-H271 PolarHBondContact O-N 3.14Å; H271-T275 WeakPolarHBondContact O-CB 3.18Å; H271-T275 VanDerWaalsContact O-CG2 3.22Å; H271-T275 WeakPolarHBondContact O-CG2 3.46Å; H271-T275 PolarHBondContact O-N 3.24Å; H271-T275 PolarHBondContact O-OG1 3.34Å
272L76.7Confident73.2Confident24 Ų2483.2 Ų83.213%0.12642%0.415CS..Hα-helixtrans-65-38.3174.9-82.7157.5000112.2F35 I38 F42 I268 N269 T275 S276F35-L272 HydrophobicContact CB-CD2 3.88Å; F35-L272 HydrophobicContact CD1-CD2 4.19Å; F35-L272 HydrophobicContact CG-CD2 4.1Å; I38-L272 HydrophobicContact CG2-CD1 4.19Å; I38-L272 HydrophobicContact CG2-CD2 4.38Å; F42-L272 HydrophobicContact CD2-CD1 4.18Å; I268-L272 HydrophobicContact CG2-CD1 3.6Å; I268-L272 WeakPolarHBondContact O-CB 3.26Å; I268-L272 WeakPolarHBondContact O-CD1 3.48Å; I268-L272 WeakPolarHBondContact O-CG 3.45Å; I268-L272 PolarHBondContact O-N 2.85Å; N269-L272 PolarHBondContact O-N 3.37Å; L272-T275 WeakPolarHBondContact CA-OG1 3.49Å; L272-T275 PolarHBondContact O-OG1 2.7Å; L272-S276 VanDerWaalsContact O-CB 3.23Å; L272-S276 WeakPolarHBondContact O-CB 3.42Å; L272-S276 PolarHBondContact O-N 2.9Å; L272-S276 PolarHBondContact O-OG 2.83Å
273M75.5Confident75Confident110 Ų11079.3 Ų79.354%0.54240%0.395SS..Hα-helixtrans-71.1-43.9177.8-169.3-172.9-59.300111.6N269 L270 S276 Y277N269-M273 WeakPolarHBondContact O-CB 3.44Å; N269-M273 PolarHBondContact O-N 2.83Å; L270-M273 PolarHBondContact O-N 2.66Å; M273-S276 WeakPolarHBondContact CA-OG 3.39Å; M273-S276 PolarHBondContact O-OG 2.83Å; M273-Y277 VanDerWaalsContact O-CB 3.28Å; M273-Y277 WeakPolarHBondContact O-CB 3.28Å; M273-Y277 PolarHBondContact O-N 2.81Å
274H81.3Confident76.7Confident132 Ų13278 Ų7861%0.61139%0.387SS*.Hα-helixtrans-66.5-43.1178.6-174.2-91.8000111.8L270 F278L270-H274 VanDerWaalsContact O-CB 3.25Å; L270-H274 WeakPolarHBondContact O-CB 3.37Å; L270-H274 PolarHBondContact O-N 2.63Å; H274-F278 PolarHBondContact O-N 3.47Å; H274-F278 VanDerWaalsContact O-N 3.09Å
275T81.9Confident78.2Confident56 Ų5677.2 Ų77.234%0.34439%0.386SS..Hα-helixtrans-67.1-45.1177.352.80000112H271 L272 Y277 F278 L279H271-T275 WeakPolarHBondContact O-CB 3.18Å; H271-T275 VanDerWaalsContact O-CG2 3.22Å; H271-T275 WeakPolarHBondContact O-CG2 3.46Å; H271-T275 PolarHBondContact O-N 3.24Å; H271-T275 PolarHBondContact O-OG1 3.34Å; L272-T275 WeakPolarHBondContact CA-OG1 3.49Å; L272-T275 PolarHBondContact O-OG1 2.7Å; T275-Y277 PolarHBondContact O-N 3.32Å; T275-F278 PolarHBondContact O-N 3.33Å; T275-L279 VanDerWaalsContact O-CG 3.32Å; T275-L279 WeakPolarHBondContact O-CG 3.3Å; T275-L279 PolarHBondContact O-N 3.28Å; T275-L279 VanDerWaalsContact O-N 3.07Å
276S82.2Confident79.5Confident4 Ų476.8 Ų76.83%0.02839%0.387CS..Hα-helixtrans-61.8-43.9175.957.90000112L272 M273 F278 L279 F280L272-S276 VanDerWaalsContact O-CB 3.23Å; L272-S276 WeakPolarHBondContact O-CB 3.42Å; L272-S276 PolarHBondContact O-N 2.9Å; L272-S276 PolarHBondContact O-OG 2.83Å; M273-S276 WeakPolarHBondContact CA-OG 3.39Å; M273-S276 PolarHBondContact O-OG 2.83Å; S276-F278 VanDerWaalsContact C-N 3.35Å; S276-F278 PolarHBondContact O-N 3.46Å; S276-L279 PolarHBondContact O-N 3.08Å; S276-F280 WeakPolarHBondContact O-CD2 3.21Å; S276-F280 PolarHBondContact O-N 3.11Å
277Y84.9Confident80.8Confident164 Ų16478.8 Ų78.864%0.64339%0.388SS*.Hα-helixtrans-57-46.5175.9179.8-100.4000112.2M273 T275 L279 F280 V281M273-Y277 VanDerWaalsContact O-CB 3.28Å; M273-Y277 WeakPolarHBondContact O-CB 3.28Å; M273-Y277 PolarHBondContact O-N 2.81Å; T275-Y277 PolarHBondContact O-N 3.32Å; Y277-L279 VanDerWaalsContact C-N 3.35Å; Y277-L279 PolarHBondContact O-N 2.96Å; Y277-F280 PolarHBondContact O-N 3.27Å; Y277-V281 HydrophobicContact CD1-CG2 4.32Å; Y277-V281 HydrophobicContact CE1-CG2 3.89Å; Y277-V281 HydrophobicContact CE2-CG2 4.29Å; Y277-V281 WeakPolarHBondContact O-CG2 3.02Å; Y277-V281 PolarHBondContact O-N 2.73Å
278F87Confident81.8Confident119 Ų11977.3 Ų77.352%0.52239%0.385SS..Hα-helixtrans-59.3-44.7176.8-179.3-98.5000112.1H274 T275 S276 F280 V281 M282H274-F278 PolarHBondContact O-N 3.47Å; H274-F278 VanDerWaalsContact O-N 3.09Å; T275-F278 PolarHBondContact O-N 3.33Å; S276-F278 VanDerWaalsContact C-N 3.35Å; S276-F278 PolarHBondContact O-N 3.46Å; F278-F280 PolarHBondContact O-N 2.97Å; F278-V281 PolarHBondContact O-N 3.36Å; F278-M282 HydrophobicContact CD1-CG 4.48Å; F278-M282 HydrophobicContact CD1-SD 4.35Å; F278-M282 HydrophobicContact CE1-CG 4.06Å; F278-M282 HydrophobicContact CE1-SD 3.55Å; F278-M282 VanDerWaalsContact CE1-SD 3.55Å; F278-M282 HydrophobicContact CZ-CG 4.2Å; F278-M282 HydrophobicContact CZ-SD 3.89Å; F278-M282 PolarHBondContact O-N 3.42Å
279L86Confident82.5Confident30 Ų3078.5 Ų78.516%0.15739%0.385CS..Hα-helixtrans-63.9-39.9177.5-63.3174.9000111.9V28 V31 A32 F35 T275 S276 Y277 M282 V283V28-L279 HydrophobicContact CG1-CB 4.24Å; V28-L279 HydrophobicContact CG1-CD2 4.06Å; V31-L279 HydrophobicContact CG1-CD1 3.89Å; A32-L279 HydrophobicContact CB-CB 3.87Å; A32-L279 HydrophobicContact CB-CD1 4.26Å; F35-L279 HydrophobicContact CD2-CD1 3.96Å; F35-L279 HydrophobicContact CE2-CD1 4.1Å; T275-L279 VanDerWaalsContact O-CG 3.32Å; T275-L279 WeakPolarHBondContact O-CG 3.3Å; T275-L279 PolarHBondContact O-N 3.28Å; T275-L279 VanDerWaalsContact O-N 3.07Å; S276-L279 PolarHBondContact O-N 3.08Å; Y277-L279 VanDerWaalsContact C-N 3.35Å; Y277-L279 PolarHBondContact O-N 2.96Å; L279-M282 PolarHBondContact O-N 3.1Å; L279-V283 WeakPolarHBondContact O-CG2 3.39Å; L279-V283 PolarHBondContact O-N 2.97Å
280F86Confident83.2Confident74 Ų7476.5 Ų76.533%0.32538%0.375SS..Hα-helixtrans-63.5-42.2175.2-86.1-72.7000112.8A32 L36 S276 Y277 F278 M282 V283 I284A32-F280 HydrophobicContact CB-CD2 4.23Å; A32-F280 HydrophobicContact CB-CE2 3.84Å; A32-F280 HydrophobicContact CB-CZ 4.14Å; L36-F280 HydrophobicContact CD1-CD2 4.41Å; L36-F280 HydrophobicContact CD1-CE2 3.31Å; L36-F280 HydrophobicContact CD1-CZ 3.63Å; L36-F280 HydrophobicContact CG-CE2 3.93Å; S276-F280 WeakPolarHBondContact O-CD2 3.21Å; S276-F280 PolarHBondContact O-N 3.11Å; Y277-F280 PolarHBondContact O-N 3.27Å; F278-F280 PolarHBondContact O-N 2.97Å; F280-M282 VanDerWaalsContact C-N 3.32Å; F280-M282 PolarHBondContact O-N 3.39Å; F280-V283 PolarHBondContact O-N 3.5Å; F280-I284 VanDerWaalsContact O-CG1 3.3Å; F280-I284 WeakPolarHBondContact O-CG1 3.16Å; F280-I284 PolarHBondContact O-N 3.34Å
281V88.4Confident83.6Confident60 Ų6072.5 Ų72.536%0.36436%0.355SS..Hα-helixtrans-62.4-41.3176.2173.80000110.8Y277 F278 V283 I284 T285Y277-V281 HydrophobicContact CD1-CG2 4.32Å; Y277-V281 HydrophobicContact CE1-CG2 3.89Å; Y277-V281 HydrophobicContact CE2-CG2 4.29Å; Y277-V281 WeakPolarHBondContact O-CG2 3.02Å; Y277-V281 PolarHBondContact O-N 2.73Å; F278-V281 PolarHBondContact O-N 3.36Å; V281-V283 PolarHBondContact O-N 3.24Å; V281-I284 PolarHBondContact O-N 2.94Å; V281-T285 HydrophobicContact CG1-CG2 4.27Å; V281-T285 WeakPolarHBondContact O-CB 3.44Å; V281-T285 VanDerWaalsContact O-CG2 3.25Å; V281-T285 WeakPolarHBondContact O-CG2 3.39Å; V281-T285 PolarHBondContact O-N 3.16Å; V281-T285 PolarHBondContact O-OG1 3.31Å
282M87.3Confident83.7Confident73 Ų7373.1 Ų73.136%0.3636%0.36SS..Hα-helixtrans-61.6-42.3174.3-72.9-16099.500112.4F278 L279 F280 T285 M286F278-M282 HydrophobicContact CD1-CG 4.48Å; F278-M282 HydrophobicContact CD1-SD 4.35Å; F278-M282 HydrophobicContact CE1-CG 4.06Å; F278-M282 HydrophobicContact CE1-SD 3.55Å; F278-M282 VanDerWaalsContact CE1-SD 3.55Å; F278-M282 HydrophobicContact CZ-CG 4.2Å; F278-M282 HydrophobicContact CZ-SD 3.89Å; F278-M282 PolarHBondContact O-N 3.42Å; L279-M282 PolarHBondContact O-N 3.1Å; F280-M282 VanDerWaalsContact C-N 3.32Å; F280-M282 PolarHBondContact O-N 3.39Å; M282-T285 WeakPolarHBondContact CA-OG1 3.3Å; M282-T285 PolarHBondContact O-OG1 2.04Å; M282-M286 WeakPolarHBondContact O-CB 3.3Å; M282-M286 VanDerWaalsContact O-CG 3.26Å; M282-M286 WeakPolarHBondContact O-CG 3.14Å; M282-M286 PolarHBondContact O-N 3.31Å
283V87.8Confident83.5Confident25 Ų2578.1 Ų78.115%0.15238%0.381CS..Hα-helixtrans-66.6-45.8178172.90000111.2M25 V28 L279 F280 V281 T285 M286 F287M25-V283 HydrophobicContact CE-CB 4.28Å; M25-V283 HydrophobicContact CE-CG1 3.81Å; M25-V283 VanDerWaalsContact CE-O 3.26Å; M25-V283 WeakPolarHBondContact CE-O 3.41Å; V28-V283 HydrophobicContact CB-CG2 4.27Å; V28-V283 HydrophobicContact CG1-CG2 3.64Å; L279-V283 WeakPolarHBondContact O-CG2 3.39Å; L279-V283 PolarHBondContact O-N 2.97Å; F280-V283 PolarHBondContact O-N 3.5Å; V281-V283 PolarHBondContact O-N 3.24Å; V283-T285 PolarHBondContact O-N 3.24Å; V283-M286 PolarHBondContact O-N 3.06Å; V283-F287 WeakPolarHBondContact O-CB 2.98Å; V283-F287 PolarHBondContact O-N 2.86Å
284I87Confident82.9Confident100 Ų10073.1 Ų73.151%0.51336%0.358SS..Hα-helixtrans-62.8-45179.8-67.7166.9000110.6F280 V281 M286 F287 C288F280-I284 VanDerWaalsContact O-CG1 3.3Å; F280-I284 WeakPolarHBondContact O-CG1 3.16Å; F280-I284 PolarHBondContact O-N 3.34Å; V281-I284 PolarHBondContact O-N 2.94Å; I284-M286 PolarHBondContact O-N 2.78Å; I284-F287 PolarHBondContact O-N 2.75Å; I284-C288 WeakPolarHBondContact O-CB 3.49Å; I284-C288 PolarHBondContact O-N 3Å; I284-C288 PolarHBondContact O-SG 3.34Å
285T87.6Confident82Confident80 Ų8077 Ų7749%0.49137%0.367SS..Hα-helixtrans-64.8-40.6179.752.50000112.4V281 M282 V283 C288 Y289V281-T285 HydrophobicContact CG1-CG2 4.27Å; V281-T285 WeakPolarHBondContact O-CB 3.44Å; V281-T285 VanDerWaalsContact O-CG2 3.25Å; V281-T285 WeakPolarHBondContact O-CG2 3.39Å; V281-T285 PolarHBondContact O-N 3.16Å; V281-T285 PolarHBondContact O-OG1 3.31Å; M282-T285 WeakPolarHBondContact CA-OG1 3.3Å; M282-T285 PolarHBondContact O-OG1 2.04Å; V283-T285 PolarHBondContact O-N 3.24Å; T285-C288 PolarHBondContact O-N 2.99Å; T285-Y289 WeakPolarHBondContact O-CB 3.22Å; T285-Y289 PolarHBondContact O-N 3.1Å
286M84.8Confident80.7Confident61 Ų6178.2 Ų78.230%0.338%0.376SS..Hα-helixtrans-66.2-36.7173.4-77.3-80.1170.600112.6L21 M25 M282 V283 I284 Y289 A290L21-M286 HydrophobicContact CD2-SD 3.92Å; M25-M286 HydrophobicContact CE-CB 3.39Å; M25-M286 HydrophobicContact CE-CG 4.47Å; M25-M286 HydrophobicContact CG-CB 4.46Å; M25-M286 HydrophobicContact SD-CB 3.2Å; M25-M286 WeakPolarHBondContact SD-CB 2.97Å; M25-M286 HydrophobicContact SD-CG 3.69Å; M282-M286 WeakPolarHBondContact O-CB 3.3Å; M282-M286 VanDerWaalsContact O-CG 3.26Å; M282-M286 WeakPolarHBondContact O-CG 3.14Å; M282-M286 PolarHBondContact O-N 3.31Å; V283-M286 PolarHBondContact O-N 3.06Å; I284-M286 PolarHBondContact O-N 2.78Å; M286-Y289 WeakPolarHBondContact O-CB 3.38Å; M286-Y289 PolarHBondContact O-N 3.15Å; M286-A290 WeakPolarHBondContact O-CB 3.27Å; M286-A290 PolarHBondContact O-N 3.17Å
287F84.6Confident79.3Confident108 Ų10880.4 Ų80.447%0.47440%0.399SS..Hα-helixtrans-66.8-46.2174.5-176-97000111.5L11 V283 I284 Y289 A290 V291L11-F287 HydrophobicContact CD1-CD2 4.26Å; L11-F287 HydrophobicContact CD1-CE2 3.87Å; L11-F287 HydrophobicContact CD2-CE2 3.91Å; L11-F287 HydrophobicContact CD2-CZ 4.28Å; V283-F287 WeakPolarHBondContact O-CB 2.98Å; V283-F287 PolarHBondContact O-N 2.86Å; I284-F287 PolarHBondContact O-N 2.75Å; F287-Y289 VanDerWaalsContact C-N 3.28Å; F287-Y289 PolarHBondContact O-N 3.5Å; F287-A290 WeakPolarHBondContact O-CB 3.43Å; F287-A290 PolarHBondContact O-N 3.12Å; F287-A290 VanDerWaalsContact O-N 3.11Å; F287-V291 HydrophobicContact CD1-CG2 4.26Å; F287-V291 HydrophobicContact CE1-CG2 3.9Å; F287-V291 HydrophobicContact CZ-CG2 4.17Å; F287-V291 WeakPolarHBondContact O-CG2 3.2Å; F287-V291 PolarHBondContact O-N 2.93Å
288C85.3Confident77.4Confident59 Ų5982.5 Ų82.540%0.39941%0.412SS..Hα-helixtrans-58.5-41.6173.2-68.80000111.4I284 T285 A290 V291 I292I284-C288 WeakPolarHBondContact O-CB 3.49Å; I284-C288 PolarHBondContact O-N 3Å; I284-C288 PolarHBondContact O-SG 3.34Å; T285-C288 PolarHBondContact O-N 2.99Å; C288-A290 VanDerWaalsContact C-N 3.34Å; C288-A290 PolarHBondContact O-N 3.39Å; C288-V291 PolarHBondContact O-N 3.36Å; C288-I292 WeakPolarHBondContact O-CB 3.22Å; C288-I292 WeakPolarHBondContact O-CD1 3.24Å; C288-I292 VanDerWaalsContact O-CG1 3.25Å; C288-I292 WeakPolarHBondContact O-CG1 3.43Å; C288-I292 PolarHBondContact O-N 2.81Å
289Y83.2Confident75.4Confident103 Ų10383.3 Ų83.340%0.40443%0.426SS..Hα-helixtrans-61.7-41.1174.8179-99.3000112.4Y14 T285 M286 F287 I292 K293Y14-Y289 AromaticContact CE2-CD1 3.95Å; Y14-Y289 HydrophobicContact CE2-CD1 3.95Å; Y14-Y289 AromaticContact CE2-CE1 3.98Å; Y14-Y289 HydrophobicContact CE2-CE1 3.98Å; T285-Y289 WeakPolarHBondContact O-CB 3.22Å; T285-Y289 PolarHBondContact O-N 3.1Å; M286-Y289 WeakPolarHBondContact O-CB 3.38Å; M286-Y289 PolarHBondContact O-N 3.15Å; F287-Y289 VanDerWaalsContact C-N 3.28Å; F287-Y289 PolarHBondContact O-N 3.5Å; Y289-I292 PolarHBondContact O-N 3.28Å; Y289-K293 HydrophobicContact CD2-CB 4.49Å; Y289-K293 HydrophobicContact CD2-CD 4.26Å; Y289-K293 HydrophobicContact CE1-CD 4.2Å; Y289-K293 HydrophobicContact CE2-CB 4.29Å; Y289-K293 HydrophobicContact CE2-CD 3.34Å; Y289-K293 HydrophobicContact CE2-CG 4.48Å; Y289-K293 VanDerWaalsContact O-CB 3.31Å; Y289-K293 WeakPolarHBondContact O-CB 3.2Å; Y289-K293 PolarHBondContact O-N 2.87Å; Y289-K293 WeakPolarHBondContact OH-CD 3.16Å; Y289-K293 PolarHBondContact OH-NZ 2.03Å
290A80.3Confident73.2Confident3 Ų392.9 Ų92.93%0.02546%0.46CS..Hα-helixtrans-62.3-41.7175.500000112.3L11 Y14 M286 F287 C288 G294L11-A290 HydrophobicContact CD1-CB 4.08Å; Y14-A290 HydrophobicContact CD1-CB 3.38Å; Y14-A290 HydrophobicContact CD2-CB 3.95Å; Y14-A290 HydrophobicContact CE1-CB 3.59Å; Y14-A290 HydrophobicContact CE2-CB 4.13Å; Y14-A290 HydrophobicContact CG-CB 3.55Å; M286-A290 WeakPolarHBondContact O-CB 3.27Å; M286-A290 PolarHBondContact O-N 3.17Å; F287-A290 WeakPolarHBondContact O-CB 3.43Å; F287-A290 PolarHBondContact O-N 3.12Å; F287-A290 VanDerWaalsContact O-N 3.11Å; C288-A290 VanDerWaalsContact C-N 3.34Å; C288-A290 PolarHBondContact O-N 3.39Å; A290-G294 WeakPolarHBondContact O-CA 3.03Å; A290-G294 PolarHBondContact O-N 3.1Å
291V79.6Confident70.9Confident26 Ų2697.6 Ų97.616%0.15848%0.483CS..Hα-helixtrans-68.4-38.8179172.90000112.1P7 N10 F287 C288P7-V291 HydrophobicContact CB-CG1 3.84Å; N10-V291 WeakPolarHBondContact CB-O 3.38Å; N10-V291 PolarHBondContact ND2-O 2.98Å; F287-V291 HydrophobicContact CD1-CG2 4.26Å; F287-V291 HydrophobicContact CE1-CG2 3.9Å; F287-V291 HydrophobicContact CZ-CG2 4.17Å; F287-V291 WeakPolarHBondContact O-CG2 3.2Å; F287-V291 PolarHBondContact O-N 2.93Å; C288-V291 PolarHBondContact O-N 3.36Å
292I80.6Confident68.3Low124 Ų124101.2 Ų101.264%0.63651%0.505SS*.Hα-helixtrans-79.7-41.2-177.8-64.2165.8000111.7C288 Y289C288-I292 WeakPolarHBondContact O-CB 3.22Å; C288-I292 WeakPolarHBondContact O-CD1 3.24Å; C288-I292 VanDerWaalsContact O-CG1 3.25Å; C288-I292 WeakPolarHBondContact O-CG1 3.43Å; C288-I292 PolarHBondContact O-N 2.81Å; Y289-I292 PolarHBondContact O-N 3.28Å
293K71.5Confident65.8Low130 Ų130104 Ų10457%0.56552%0.521SS*.Hα-helixtrans-108.2-4.9-169.3-149.9-179.7-179.31740114.2Y289 R295Y289-K293 HydrophobicContact CD2-CB 4.49Å; Y289-K293 HydrophobicContact CD2-CD 4.26Å; Y289-K293 HydrophobicContact CE1-CD 4.2Å; Y289-K293 HydrophobicContact CE2-CB 4.29Å; Y289-K293 HydrophobicContact CE2-CD 3.34Å; Y289-K293 HydrophobicContact CE2-CG 4.48Å; Y289-K293 VanDerWaalsContact O-CB 3.31Å; Y289-K293 WeakPolarHBondContact O-CB 3.2Å; Y289-K293 PolarHBondContact O-N 2.87Å; Y289-K293 WeakPolarHBondContact OH-CD 3.16Å; Y289-K293 PolarHBondContact OH-NZ 2.03Å; K293-R295 PolarHBondContact O-N 3.04Å
294G64.8Low63.8Low5 Ų5108.6 Ų108.65%0.05255%0.551CS.*  trans-62.595.516800000109.4N10 A290N10-G294 VanDerWaalsContact CA-O 3.28Å; N10-G294 WeakPolarHBondContact CA-O 3.26Å; N10-G294 WeakPolarHBondContact CB-O 3.25Å; N10-G294 WeakPolarHBondContact O-CA 3.37Å; N10-G294 PolarHBondContact OD1-O 3.38Å; A290-G294 WeakPolarHBondContact O-CA 3.03Å; A290-G294 PolarHBondContact O-N 3.1Å
295R61.1Low61.3Low213 Ų213110.2 Ų110.280%0.80456%0.56SS**  trans-68132.3172.9-75-176.9177.7178.1-1.1107.9K293 G297K293-R295 PolarHBondContact O-N 3.04Å; R295-G297 PolarHBondContact O-N 3.15Å
296P55.6Low58.9Low82 Ų82115.4 Ų115.453%0.53258%0.576SS.*  trans-60.7114.6172.324.3-30.5000107.2K298P296-K298 PolarHBondContact O-N 3.49Å; P296-K298 VanDerWaalsContact O-N 3.13Å
297G52.5Low56.5Low49 Ų49118.6 Ų118.651%0.50560%0.603SS.*  trans-60119.1178.300000108.2R295 V299R295-G297 PolarHBondContact O-N 3.15Å; G297-V299 PolarHBondContact O-N 3.3Å
298K45Very low54.4Low209 Ų209118.7 Ų118.791%0.90962%0.615SS**  trans-58.1109.6168-82.7-175.2175.5-177.60107P296 R300P296-K298 PolarHBondContact O-N 3.49Å; P296-K298 VanDerWaalsContact O-N 3.13Å; K298-R300 PolarHBondContact O-N 2.92Å
299V45.2Very low51.9Low135 Ų135124.4 Ų124.482%0.81864%0.636SS**  trans-57.1106.5166.7176.70000106G297 Q301G297-V299 PolarHBondContact O-N 3.3Å; V299-Q301 PolarHBondContact O-N 3.05Å
300R39.7Very low49.5Very low231 Ų231129.3 Ų129.387%0.87266%0.659SS**  trans-68.5104171.6-164.9176-172.6176.40.6105.3K298 T302K298-R300 PolarHBondContact O-N 2.92Å; R300-T302 PolarHBondContact O-N 3.47Å
301Q38.2Very low47.7Very low174 Ų174134.1 Ų134.181%0.81369%0.688SS**  trans-56.3108.2166.1-83.7176.8-31.600107.3V299 I303V299-Q301 PolarHBondContact O-N 3.05Å; Q301-I303 PolarHBondContact O-N 3.19Å; Q301-I303 VanDerWaalsContact O-N 3.16Å
302T33.1Very low45.7Very low136 Ų136137.8 Ų137.883%0.83472%0.721SS**  trans-69.2103.1167.63.30000107.2R300R300-T302 PolarHBondContact O-N 3.47Å
303I33.7Very low43.6Very low132 Ų132138.9 Ų138.968%0.67773%0.728SS**  trans-67.2129163.1-64.6166.8000107Q301 D305Q301-I303 PolarHBondContact O-N 3.19Å; Q301-I303 VanDerWaalsContact O-N 3.16Å; I303-D305 HydrophobicContact CG2-CB 4.45Å; I303-D305 WeakPolarHBondContact CG2-OD2 3.3Å; I303-D305 PolarHBondContact O-N 3.22Å
304P46.2Very low42Very low121 Ų121138.5 Ų138.579%0.78674%0.741SS**  trans-93.190.5175.934.5-25.9000109.2
305D34.8Very low40.6Very low134 Ų134146.4 Ų146.472%0.71778%0.777SS**  trans-120.1103170.3-80.3-39.6000110.7I303I303-D305 HydrophobicContact CG2-CB 4.45Å; I303-D305 WeakPolarHBondContact CG2-OD2 3.3Å; I303-D305 PolarHBondContact O-N 3.22Å
306F36.4Very low39.3Very low188 Ų188143.4 Ų143.483%0.82581%0.812SS**  45.5111.7127.6-110.2-99000118.6
307C35.1Very low38.5Very low128 Ų128146.5 Ų146.587%0.86583%0.826SS**  trans-155.5139.8132.4-103.40000112.1
308P41.5Very low37.7Very low111 Ų111151.6 Ų151.672%0.72184%0.843SS**  trans-85.9146-163.334.6-34.2000113.3K310P308-K310 PolarHBondContact O-N 3.05Å
309E31.8Very low37.3Very low178 Ų178148.4 Ų148.483%0.83284%0.839SS**  trans-62.8120.7169.3-172166.4122.100110.6V311E309-V311 HydrophobicContact CG-CG2 4.39Å
310K33.8Very low36.8Very low207 Ų207149.2 Ų149.290%0.984%0.84SS**  trans-97.497.7170.1-146.4-177.4-171-172.90107.8P308 A312P308-K310 PolarHBondContact O-N 3.05Å; K310-A312 PolarHBondContact O-N 2.95Å
311V42Very low36.7Very low103 Ų103144.1 Ų144.162%0.62484%0.838SS**  trans-65.1122.1170.6179.20000108.6E309 L313E309-V311 HydrophobicContact CG-CG2 4.39Å; V311-L313 HydrophobicContact CG1-CB 4.47Å; V311-L313 HydrophobicContact CG1-CD1 4.45Å
312A37.6Very low36.6Very low104 Ų104142.1 Ų142.186%0.8684%0.84SS**  trans-115.397.316200000107.6K310K310-A312 PolarHBondContact O-N 2.95Å
313L37Very low36.8Very low147 Ų147142.5 Ų142.577%0.7784%0.84SS**  trans-86.3117.4166.3-138.9129.9000105.8V311 E315V311-L313 HydrophobicContact CG1-CB 4.47Å; V311-L313 HydrophobicContact CG1-CD1 4.45Å; L313-E315 HydrophobicContact CD2-CG 4.2Å
314S36.1Very low37Very low121 Ų121143.3 Ų143.385%0.84685%0.853SS**  trans-108.6106.9163.9-166.10000107
315E36.3Very low36.3Very low171 Ų171145.2 Ų145.280%0.79986%0.859SS**  trans-61.5148.7160.5-72.2175.8127.900110L313L313-E315 HydrophobicContact CD2-CG 4.2Å
316G33.1Very low36.4Very low150 Ų150146.2 Ų146.2100%1.54687%0.872SS**  trans-109.70147.900000108.5

Retrieved 316 of 316 residues in 954.8 ms (Link to these results)