A0A096LUP4_POEFO Loading...

Mitochondrial carnitine/acylcarnitine carrier protein

Mediates the electroneutral exchange of acylcarnitines (O-acyl-(R)-carnitine or L-acylcarnitine) of different acyl chain lengths (ranging from O-acetyl-(R)-carnitine to long-chain O-acyl-(R)-carnitines) with free carnitine ((R)-carnitine or L-carnitine) across the mitochondrial inner membrane, via a ping-pong mechanism. Key player in the mitochondrial oxidation pathway, it translocates the fatty acids in the form of acylcarnitines into the mitochondrial matrix, where the carnitine palmitoyltransferase 2 (CPT-2) activates them to undergo fatty acid beta-oxidation. Catalyzes the unidirectional transport (uniport) of carnitine at lower rates than the antiport (exchange).

AlphaFold DB , UniProt , Accession A0A096LUP4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 301 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
1M32.6Very low49.6Very low243 Ų243129.3 Ų129.3100%1.19770%0.703SS**  0102.20-75.7175.5168.800108.4K3M1-K3 PolarHBondContact O-N 2.82Å
2A31.2Very low51.7Low102 Ų102119.3 Ų119.384%0.84365%0.648SS**  trans-65119.1174.500000108.1Q4A2-Q4 PolarHBondContact O-N 2.88Å
3K33Very low53.5Low205 Ų205113.5 Ų113.589%0.89162%0.617SS**  trans-54.6115.3171.3-87.3179.3173.5178.30107.2M1M1-K3 PolarHBondContact O-N 2.82Å
4Q35.3Very low55.2Low170 Ų170116.1 Ų116.179%0.79462%0.619SS**  trans-51.2134165.3-74.6177-1800107.6A2 Q6A2-Q4 PolarHBondContact O-N 2.88Å; Q4-Q6 PolarHBondContact O-N 3.37Å
5P39.8Very low57Low114 Ų114115.4 Ų115.474%0.7461%0.609SS**  trans-61.5105.1174.223.8-29.2000107.3
6Q46.1Very low58.3Low161 Ų161108.2 Ų108.275%0.75257%0.571SS**  trans-54.4127.1173.6-74.2-87.5-3.600107.4Q4 I8Q4-Q6 PolarHBondContact O-N 3.37Å; Q6-I8 PolarHBondContact O-N 3.04Å
7P51.6Low59.2Low121 Ų121103.7 Ų103.779%0.78656%0.557SS**  trans-59.7114.5176.724.1-31000107.6S9P7-S9 PolarHBondContact O-N 3.34Å
8I57.8Low60.3Low75 Ų75100.4 Ų100.439%0.38555%0.551SS.*  trans-70.2124.8-172.7-53.4172.7000108.2Q6 K12 N13 I209 M291Q6-I8 PolarHBondContact O-N 3.04Å; I8-K12 HydrophobicContact CG2-CB 4.46Å; I8-N13 WeakPolarHBondContact CG2-OD1 3.4Å; I8-N13 PolarHBondContact O-ND2 3.41Å; I8-I209 HydrophobicContact CB-CD1 4.36Å; I8-I209 HydrophobicContact CD1-CD1 3.69Å; I8-I209 HydrophobicContact CD1-CG1 4.37Å; I8-I209 HydrophobicContact CG2-CD1 4.22Å; I8-M291 HydrophobicContact CD1-CE 4.37Å; I8-M291 HydrophobicContact CG2-CE 3.33Å; I8-M291 HydrophobicContact CG2-SD 4.41Å
9S72.1Confident61.5Low19 Ų19100.4 Ų100.413%0.13355%0.545CS..  trans-51.6131.4-1791680000112.7P7 M11 K12 N13 L301P7-S9 PolarHBondContact O-N 3.34Å; S9-M11 PolarHBondContact O-N 2.88Å; S9-M11 VanDerWaalsContact O-N 3.13Å; S9-M11 PolarHBondContact OG-N 3.43Å; S9-K12 PolarHBondContact O-N 2.71Å; S9-K12 VanDerWaalsContact O-N 3.07Å; S9-N13 VanDerWaalsContact O-CG 3.3Å; S9-N13 PolarHBondContact O-N 3.04Å; S9-N13 VanDerWaalsContact O-N 3.11Å; S9-N13 PolarHBondContact O-ND2 3.46Å; S9-L301 WeakPolarHBondContact CB-O 3.28Å; S9-L301 WeakPolarHBondContact CB-OXT 3.41Å; S9-L301 VanDerWaalsContact OG-C 3.31Å; S9-L301 PolarHBondContact OG-O 3Å; S9-L301 PolarHBondContact OG-OXT 3.46Å
10P71.6Confident62.3Low108 Ų10895.5 Ų95.570%0.70152%0.519SS*.Hα-helixtrans-53.1-32.5175.4-27.234.8000113.6N13 F14P10-N13 PolarHBondContact O-N 2.93Å; P10-F14 WeakPolarHBondContact O-CB 3.4Å; P10-F14 PolarHBondContact O-N 3.5Å
11M74Confident63Low104 Ų10492.3 Ų92.351%0.51251%0.509SS..Hα-helixtrans-69.9-44.3177.4-75.8-169.762.900112.2S9 N13 F14 F15 L301S9-M11 PolarHBondContact O-N 2.88Å; S9-M11 VanDerWaalsContact O-N 3.13Å; S9-M11 PolarHBondContact OG-N 3.43Å; M11-N13 PolarHBondContact O-N 2.97Å; M11-F14 WeakPolarHBondContact O-CB 3.41Å; M11-F14 PolarHBondContact O-N 2.78Å; M11-F15 HydrophobicContact CE-CE2 3.92Å; M11-F15 WeakPolarHBondContact O-CD2 3.36Å; M11-F15 PolarHBondContact O-N 3.34Å; M11-L301 HydrophobicContact CB-CD2 4.25Å; M11-L301 HydrophobicContact CE-CD2 4.47Å
12K75.6Confident65.4Low9 Ų983.5 Ų83.54%0.03947%0.468CS..Hα-helixtrans-58.9-40.2174.8-72.7178.7168.5137.30111.1I8 S9 F15 A16 M291 L294 A298 P299 L301I8-K12 HydrophobicContact CG2-CB 4.46Å; S9-K12 PolarHBondContact O-N 2.71Å; S9-K12 VanDerWaalsContact O-N 3.07Å; K12-F15 PolarHBondContact O-N 3.48Å; K12-A16 VanDerWaalsContact O-CB 3.22Å; K12-A16 WeakPolarHBondContact O-CB 3.32Å; K12-A16 PolarHBondContact O-N 3Å; K12-M291 HydrophobicContact CB-CE 4.49Å; K12-M291 HydrophobicContact CB-SD 4.36Å; K12-L294 HydrophobicContact CB-CD1 4.4Å; K12-L294 HydrophobicContact CG-CB 4.32Å; K12-A298 WeakPolarHBondContact CE-O 3.44Å; K12-A298 PolarHBondContact NZ-O 3.46Å; K12-P299 VanDerWaalsContact NZ-C 3.35Å; K12-P299 PolarHBondContact NZ-O 3.31Å; K12-L301 HydrophobicContact CD-CB 4.48Å; K12-L301 WeakPolarHBondContact CD-O 3.3Å; K12-L301 VanDerWaalsContact CE-O 3.24Å; K12-L301 WeakPolarHBondContact CE-O 3.48Å; K12-L301 HydrophobicContact CG-CB 4.2Å; K12-L301 HydrophobicContact CG-CD2 4.32Å; K12-L301 PolarHBondContact NZ-O 2.84Å
13N75.1Confident67.9Low45 Ų4580.1 Ų80.124%0.24144%0.438CS..Hα-helixtrans-66.5-39.8178.4-60.9-19.3000112.2I8 S9 P10 M11 G17 I209I8-N13 WeakPolarHBondContact CG2-OD1 3.4Å; I8-N13 PolarHBondContact O-ND2 3.41Å; S9-N13 VanDerWaalsContact O-CG 3.3Å; S9-N13 PolarHBondContact O-N 3.04Å; S9-N13 VanDerWaalsContact O-N 3.11Å; S9-N13 PolarHBondContact O-ND2 3.46Å; P10-N13 PolarHBondContact O-N 2.93Å; M11-N13 PolarHBondContact O-N 2.97Å; N13-G17 WeakPolarHBondContact O-CA 3.45Å; N13-G17 PolarHBondContact O-N 2.77Å; N13-I209 HydrophobicContact CB-CD1 4.24Å; N13-I209 WeakPolarHBondContact OD1-CD1 3.16Å
14F77.2Confident70.2Confident149 Ų14973.1 Ų73.165%0.65441%0.41SS*.Hα-helixtrans-61.7-49.1175.7179.5-97000111.5P10 M11 G18P10-F14 WeakPolarHBondContact O-CB 3.4Å; P10-F14 PolarHBondContact O-N 3.5Å; M11-F14 WeakPolarHBondContact O-CB 3.41Å; M11-F14 PolarHBondContact O-N 2.78Å; F14-G18 PolarHBondContact O-N 3.43Å
15F81.6Confident72.4Confident106 Ų10666.2 Ų66.247%0.46538%0.379SS..Hα-helixtrans-68.9-43.3179.8-72.2-64.9000112.7M11 K12 G18 F19 L294M11-F15 HydrophobicContact CE-CE2 3.92Å; M11-F15 WeakPolarHBondContact O-CD2 3.36Å; M11-F15 PolarHBondContact O-N 3.34Å; K12-F15 PolarHBondContact O-N 3.48Å; F15-G18 PolarHBondContact O-N 2.9Å; F15-F19 WeakPolarHBondContact O-CB 3.22Å; F15-F19 PolarHBondContact O-N 3.31Å; F15-L294 HydrophobicContact CB-CD1 3.89Å
16A78.6Confident74.5Confident0 Ų063.2 Ų63.20%036%0.359CS..Hα-helixtrans-66.4-38.817700000112.1K12 F19 G20 F287 A290 M291 L294K12-A16 VanDerWaalsContact O-CB 3.22Å; K12-A16 WeakPolarHBondContact O-CB 3.32Å; K12-A16 PolarHBondContact O-N 3Å; A16-F19 PolarHBondContact O-N 3.36Å; A16-G20 PolarHBondContact O-N 3.33Å; A16-F287 HydrophobicContact CB-CD2 3.65Å; A16-F287 HydrophobicContact CB-CE2 3.5Å; A16-F287 VanDerWaalsContact CB-CE2 3.5Å; A16-F287 HydrophobicContact CB-CZ 4.3Å; A16-A290 HydrophobicContact CB-CB 3.91Å; A16-M291 HydrophobicContact CB-CG 3.62Å; A16-M291 HydrophobicContact CB-SD 3.47Å; A16-M291 WeakPolarHBondContact CB-SD 3.43Å; A16-L294 HydrophobicContact CB-CD1 4.24Å
17G73.5Confident76.3Confident32 Ų3257.6 Ų57.633%0.3334%0.34SS..Hα-helixtrans-65.4-43.217400000112.2N13 G20 G21N13-G17 WeakPolarHBondContact O-CA 3.45Å; N13-G17 PolarHBondContact O-N 2.77Å; G17-G20 PolarHBondContact O-N 3.33Å; G17-G21 PolarHBondContact O-N 3.31Å
18G79.2Confident77.6Confident44 Ų4452 Ų5245%0.45431%0.305SS..Hα-helixtrans-60.3-45.5173.700000112.3F14 F15 G21 V22F14-G18 PolarHBondContact O-N 3.43Å; F15-G18 PolarHBondContact O-N 2.9Å; G18-G21 PolarHBondContact O-N 2.88Å; G18-V22 WeakPolarHBondContact O-CG2 3.43Å; G18-V22 PolarHBondContact O-N 3.19Å
19F82.3Confident78.7Confident101 Ų10149.4 Ų49.444%0.44329%0.291SS..Hα-helixtrans-65-42.4176.1-172.5-97.9000112.2F15 A16 G21 V22 C23 G286 A290F15-F19 WeakPolarHBondContact O-CB 3.22Å; F15-F19 PolarHBondContact O-N 3.31Å; A16-F19 PolarHBondContact O-N 3.36Å; F19-G21 VanDerWaalsContact C-N 3.29Å; F19-G21 PolarHBondContact O-N 3.37Å; F19-V22 PolarHBondContact O-N 3.08Å; F19-V22 VanDerWaalsContact O-N 3.12Å; F19-C23 WeakPolarHBondContact CE1-SG 3.11Å; F19-C23 PolarHBondContact O-N 3.41Å; F19-C23 PolarHBondContact O-SG 2.95Å; F19-C23 VanDerWaalsContact O-SG 3.39Å; F19-G286 WeakPolarHBondContact CD1-O 3.46Å; F19-A290 HydrophobicContact CB-CB 4Å; F19-A290 HydrophobicContact CD1-CB 3.69Å; F19-A290 HydrophobicContact CE1-CB 4.47Å; F19-A290 HydrophobicContact CG-CB 4.06Å
20G78.5Confident79.2Confident1 Ų149.4 Ų49.41%0.0129%0.29CS..Hα-helixtrans-57-42.417200000112.3A16 G17 V22 C23 L24 C283A16-G20 PolarHBondContact O-N 3.33Å; G17-G20 PolarHBondContact O-N 3.33Å; G20-V22 PolarHBondContact O-N 3.06Å; G20-C23 WeakPolarHBondContact O-CB 3.42Å; G20-C23 PolarHBondContact O-N 3.37Å; G20-L24 PolarHBondContact O-N 2.86Å; G20-C283 VanDerWaalsContact C-SG 3.59Å; G20-C283 PolarHBondContact O-SG 3Å
21G76.1Confident79.7Confident30 Ų3048.2 Ų48.231%0.30928%0.278SS..Hα-helixtrans-61.6-40.6173.400000113.4G17 G18 F19 L24 V25G17-G21 PolarHBondContact O-N 3.31Å; G18-G21 PolarHBondContact O-N 2.88Å; F19-G21 VanDerWaalsContact C-N 3.29Å; F19-G21 PolarHBondContact O-N 3.37Å; G21-L24 WeakPolarHBondContact O-CB 3.49Å; G21-L24 PolarHBondContact O-N 3.47Å; G21-V25 WeakPolarHBondContact O-CG2 3.49Å; G21-V25 PolarHBondContact O-N 3.1Å; G21-V25 VanDerWaalsContact O-N 3.08Å
22V83.4Confident79.9Confident58 Ų5845.9 Ų45.935%0.35227%0.267SS..Hα-helixtrans-64.4-45.3173173.10000110.8G18 F19 G20 L24 V25 V26G18-V22 WeakPolarHBondContact O-CG2 3.43Å; G18-V22 PolarHBondContact O-N 3.19Å; F19-V22 PolarHBondContact O-N 3.08Å; F19-V22 VanDerWaalsContact O-N 3.12Å; G20-V22 PolarHBondContact O-N 3.06Å; V22-L24 VanDerWaalsContact C-N 3.29Å; V22-L24 PolarHBondContact O-N 2.99Å; V22-V25 PolarHBondContact O-N 2.9Å; V22-V26 HydrophobicContact CG1-CG2 4.15Å; V22-V26 WeakPolarHBondContact O-CB 3.42Å; V22-V26 VanDerWaalsContact O-CG2 3.28Å; V22-V26 WeakPolarHBondContact O-CG2 3.11Å; V22-V26 PolarHBondContact O-N 3.46Å
23C83.7Confident79.9Confident30 Ų3046.1 Ų46.120%0.20327%0.27CS..Hα-helixtrans-59-39.9175.9-70.30000112.3F19 G20 V26 A27 A282F19-C23 WeakPolarHBondContact CE1-SG 3.11Å; F19-C23 PolarHBondContact O-N 3.41Å; F19-C23 PolarHBondContact O-SG 2.95Å; F19-C23 VanDerWaalsContact O-SG 3.39Å; G20-C23 WeakPolarHBondContact O-CB 3.42Å; G20-C23 PolarHBondContact O-N 3.37Å; C23-V26 PolarHBondContact O-N 3.39Å; C23-A27 WeakPolarHBondContact O-CB 3.29Å; C23-A27 PolarHBondContact O-N 3.38Å; C23-A282 WeakPolarHBondContact CB-O 3.4Å
24L81.3Confident80.1Confident59 Ų5944.3 Ų44.331%0.30926%0.26SS..Hα-helixtrans-58.7-50173.9-177.5154000111.1G20 G21 V22 A27 G28 A279 C283G20-L24 PolarHBondContact O-N 2.86Å; G21-L24 WeakPolarHBondContact O-CB 3.49Å; G21-L24 PolarHBondContact O-N 3.47Å; V22-L24 VanDerWaalsContact C-N 3.29Å; V22-L24 PolarHBondContact O-N 2.99Å; L24-A27 PolarHBondContact O-N 2.86Å; L24-G28 PolarHBondContact O-N 3.27Å; L24-A279 HydrophobicContact CG-CB 4.32Å; L24-C283 HydrophobicContact CB-CB 3.94Å; L24-C283 HydrophobicContact CD1-CB 3.95Å; L24-C283 HydrophobicContact CG-CB 4.42Å
25V80.4Confident80.2Confident24 Ų2442.6 Ų42.615%0.14525%0.252CS..Hα-helixtrans-62.3-46.5178.8175.10000110.1G21 V22 A27 G28 H29 M75 P78 I79G21-V25 WeakPolarHBondContact O-CG2 3.49Å; G21-V25 PolarHBondContact O-N 3.1Å; G21-V25 VanDerWaalsContact O-N 3.08Å; V22-V25 PolarHBondContact O-N 2.9Å; V25-A27 VanDerWaalsContact C-N 3.34Å; V25-A27 PolarHBondContact O-N 2.87Å; V25-G28 PolarHBondContact O-N 3.06Å; V25-H29 WeakPolarHBondContact O-CB 3.4Å; V25-H29 PolarHBondContact O-N 3.24Å; V25-M75 HydrophobicContact CG1-CG 3.76Å; V25-M75 HydrophobicContact CG1-SD 4.17Å; V25-P78 HydrophobicContact CG1-CG 4.48Å; V25-I79 HydrophobicContact CG1-CG1 4.08Å
26V83.9Confident79.6Confident51 Ų5139.6 Ų39.631%0.30924%0.242SC..Hα-helixtrans-61.5-39.7179.9170.30000112.2V22 C23 P30 Y72 M75V22-V26 HydrophobicContact CG1-CG2 4.15Å; V22-V26 WeakPolarHBondContact O-CB 3.42Å; V22-V26 VanDerWaalsContact O-CG2 3.28Å; V22-V26 WeakPolarHBondContact O-CG2 3.11Å; V22-V26 PolarHBondContact O-N 3.46Å; C23-V26 PolarHBondContact O-N 3.39Å; V26-P30 VanDerWaalsContact O-CD 3.31Å; V26-P30 WeakPolarHBondContact O-CD 3.31Å; V26-Y72 HydrophobicContact CG1-CE1 3.97Å; V26-Y72 WeakPolarHBondContact O-CE1 3.4Å; V26-M75 HydrophobicContact CG2-CE 4.2Å; V26-M75 HydrophobicContact CG2-SD 3.91Å
27A84.3Confident79.3Confident43 Ų4341.2 Ų41.236%0.35525%0.248SC..Hα-helixtrans-73-36177.900000112.7C23 L24 V25 A282C23-A27 WeakPolarHBondContact O-CB 3.29Å; C23-A27 PolarHBondContact O-N 3.38Å; L24-A27 PolarHBondContact O-N 2.86Å; V25-A27 VanDerWaalsContact C-N 3.34Å; V25-A27 PolarHBondContact O-N 2.87Å; A27-A282 HydrophobicContact CB-CB 3.33Å
28G78.6Confident79.3Confident5 Ų541.7 Ų41.75%0.05224%0.243CC..Hα-helixtrans-82.9-31.2-17800000114.9L24 V25 P30 L31 D32L24-G28 PolarHBondContact O-N 3.27Å; V25-G28 PolarHBondContact O-N 3.06Å; G28-P30 VanDerWaalsContact C-CD 3.5Å; G28-L31 PolarHBondContact O-N 3.35Å; G28-L31 VanDerWaalsContact O-N 3.13Å; G28-D32 PolarHBondContact O-N 2.91Å; G28-D32 VanDerWaalsContact O-N 3.11Å
29H81.6Confident78.5Confident20 Ų2045.1 Ų45.19%0.09325%0.247CC..Hα-helixtrans-61.3-34.4-169.5-164.986.2000114.9V25 L31 D32 T33 L71 K73 M75V25-H29 WeakPolarHBondContact O-CB 3.4Å; V25-H29 PolarHBondContact O-N 3.24Å; H29-L31 PolarHBondContact O-N 3.47Å; H29-D32 PolarHBondContact O-N 3.09Å; H29-T33 PolarHBondContact CD2-OG1 3.48Å; H29-T33 PolarHBondContact NE2-OG1 3.49Å; H29-T33 WeakPolarHBondContact O-CB 3.4Å; H29-T33 PolarHBondContact O-N 3.16Å; H29-T33 PolarHBondContact O-OG1 3.36Å; H29-L71 PolarHBondContact CD2-O 2.94Å; H29-L71 VanDerWaalsContact CD2-O 3.24Å; H29-K73 PolarHBondContact NE2-O 3.3Å; H29-M75 HydrophobicContact CB-CG 4.37Å; H29-M75 HydrophobicContact CB-SD 4.24Å; H29-M75 VanDerWaalsContact CE1-CA 3.48Å; H29-M75 WeakPolarHBondContact CE1-CA 3.48Å
30P83.1Confident77.6Confident19 Ų1941.5 Ų41.512%0.12323%0.234CC..Hα-helixtrans-59.5-44173.3-27.636.8000113.2V26 G28 T33 I34 L71 Y72V26-P30 VanDerWaalsContact O-CD 3.31Å; V26-P30 WeakPolarHBondContact O-CD 3.31Å; G28-P30 VanDerWaalsContact C-CD 3.5Å; P30-T33 PolarHBondContact O-N 2.89Å; P30-I34 WeakPolarHBondContact O-CD1 3.44Å; P30-I34 VanDerWaalsContact O-CG1 3.27Å; P30-I34 WeakPolarHBondContact O-CG1 3.35Å; P30-I34 PolarHBondContact O-N 2.91Å; P30-L71 HydrophobicContact CB-CB 4.21Å; P30-L71 HydrophobicContact CG-CB 4.47Å; P30-Y72 HydrophobicContact CG-CE1 3.93Å; P30-Y72 HydrophobicContact CG-CE2 4.42Å
31L81.8Confident77Confident83 Ų8343 Ų4344%0.43524%0.24SC..Hα-helixtrans-67.3-38.9177.3-67.6176000111.2G28 H29 T33 I34 K35 R275G28-L31 PolarHBondContact O-N 3.35Å; G28-L31 VanDerWaalsContact O-N 3.13Å; H29-L31 PolarHBondContact O-N 3.47Å; L31-T33 VanDerWaalsContact C-N 3.32Å; L31-T33 PolarHBondContact O-N 3.33Å; L31-I34 PolarHBondContact O-N 3.26Å; L31-K35 VanDerWaalsContact O-CB 3.29Å; L31-K35 WeakPolarHBondContact O-CB 3.3Å; L31-K35 PolarHBondContact O-N 2.71Å; L31-R275 HydrophobicContact CD1-CG 4.31Å
32D77.3Confident76.7Confident54 Ų5444.7 Ų44.729%0.28925%0.246SC..Hα-helixtrans-65-38.3176.3-68-16.9000111.2G28 H29 K35 V36 R275G28-D32 PolarHBondContact O-N 2.91Å; G28-D32 VanDerWaalsContact O-N 3.11Å; H29-D32 PolarHBondContact O-N 3.09Å; D32-K35 PolarHBondContact O-N 3.27Å; D32-V36 VanDerWaalsContact O-CG2 3.3Å; D32-V36 WeakPolarHBondContact O-CG2 3.12Å; D32-V36 PolarHBondContact O-N 2.74Å; D32-R275 IonicContact OD1-CZ 2.76Å; D32-R275 IonicContact OD1-NH1 3.46Å; D32-R275 PolarHBondContact OD1-NH1 2.9Å; D32-R275 IonicContact OD2-NH1 3.77Å; D32-R275 PolarHBondContact OD2-NH1 3.47Å; D32-R275 VanDerWaalsContact OD2-NH1 3.14Å
33T76.6Confident75.8Confident15 Ų1550.4 Ų50.49%0.09227%0.266CS..Hα-helixtrans-64.9-46.4175.9-63.20000111.6H29 P30 L31 V36 R37 L71H29-T33 PolarHBondContact CD2-OG1 3.48Å; H29-T33 PolarHBondContact NE2-OG1 3.49Å; H29-T33 WeakPolarHBondContact O-CB 3.4Å; H29-T33 PolarHBondContact O-N 3.16Å; H29-T33 PolarHBondContact O-OG1 3.36Å; P30-T33 PolarHBondContact O-N 2.89Å; L31-T33 VanDerWaalsContact C-N 3.32Å; L31-T33 PolarHBondContact O-N 3.33Å; T33-V36 PolarHBondContact O-N 3.23Å; T33-R37 WeakPolarHBondContact O-CG 3.32Å; T33-R37 PolarHBondContact O-N 3.32Å; T33-L71 PolarHBondContact OG1-O 2.84Å; T33-L71 VanDerWaalsContact OG1-O 3.04Å
34I79.9Confident75.2Confident6 Ų651.6 Ų51.63%0.03127%0.273CS..Hα-helixtrans-63.3-45176.8-63.1158000110.6P30 L31 V36 R37 L38 T55 C58 F59 L71P30-I34 WeakPolarHBondContact O-CD1 3.44Å; P30-I34 VanDerWaalsContact O-CG1 3.27Å; P30-I34 WeakPolarHBondContact O-CG1 3.35Å; P30-I34 PolarHBondContact O-N 2.91Å; L31-I34 PolarHBondContact O-N 3.26Å; I34-V36 VanDerWaalsContact C-N 3.33Å; I34-V36 PolarHBondContact O-N 3.22Å; I34-R37 PolarHBondContact O-N 3.06Å; I34-L38 HydrophobicContact CG2-CD1 4.03Å; I34-L38 HydrophobicContact CG2-CG 4.33Å; I34-L38 WeakPolarHBondContact O-CB 3.37Å; I34-L38 WeakPolarHBondContact O-CG 3.21Å; I34-L38 PolarHBondContact O-N 3.06Å; I34-T55 HydrophobicContact CG2-CG2 3.7Å; I34-C58 HydrophobicContact CG2-CB 3.94Å; I34-F59 HydrophobicContact CD1-CB 4Å; I34-F59 HydrophobicContact CD1-CD2 3.74Å; I34-F59 HydrophobicContact CD1-CG 4.31Å; I34-L71 HydrophobicContact CG1-CD2 4.39Å
35K77.4Confident74.8Confident114 Ų11455.6 Ų55.650%0.49629%0.288SS..Hα-helixtrans-56.2-48.7176.9178.6-177.4178.8-177.70110.9L31 D32 L38 Q39L31-K35 VanDerWaalsContact O-CB 3.29Å; L31-K35 WeakPolarHBondContact O-CB 3.3Å; L31-K35 PolarHBondContact O-N 2.71Å; D32-K35 PolarHBondContact O-N 3.27Å; K35-L38 PolarHBondContact O-N 2.92Å; K35-Q39 HydrophobicContact CG-CG 4.5Å; K35-Q39 WeakPolarHBondContact O-CB 3.48Å; K35-Q39 VanDerWaalsContact O-CG 3.22Å; K35-Q39 WeakPolarHBondContact O-CG 3.33Å; K35-Q39 PolarHBondContact O-N 2.77Å
36V70.4Confident74.1Confident42 Ų4261.2 Ų61.226%0.25533%0.325SS..Hα-helixtrans-62.2-48.5178.1170.80000110.4D32 T33 I34 L38 Q39 T40D32-V36 VanDerWaalsContact O-CG2 3.3Å; D32-V36 WeakPolarHBondContact O-CG2 3.12Å; D32-V36 PolarHBondContact O-N 2.74Å; T33-V36 PolarHBondContact O-N 3.23Å; I34-V36 VanDerWaalsContact C-N 3.33Å; I34-V36 PolarHBondContact O-N 3.22Å; V36-L38 VanDerWaalsContact C-N 3.3Å; V36-L38 PolarHBondContact O-N 3.02Å; V36-Q39 CarbonylContact O-C 3.59Å; V36-Q39 PolarHBondContact O-N 3.38Å; V36-T40 HydrophobicContact CG1-CG2 3.92Å; V36-T40 WeakPolarHBondContact O-CB 3.16Å; V36-T40 VanDerWaalsContact O-CG2 3.26Å; V36-T40 WeakPolarHBondContact O-CG2 3.21Å; V36-T40 PolarHBondContact O-N 2.99Å; V36-T40 PolarHBondContact O-OG1 3.36Å
37R72.6Confident73.6Confident34 Ų3463 Ų6313%0.12835%0.354CS..Hα-helixtrans-58.3-40179.3-73.7175.9-175.4-123-6.3113.1T33 I34 Q41 Y52 T62 E66 G70T33-R37 WeakPolarHBondContact O-CG 3.32Å; T33-R37 PolarHBondContact O-N 3.32Å; I34-R37 PolarHBondContact O-N 3.06Å; R37-Q41 WeakPolarHBondContact O-CB 3.38Å; R37-Q41 PolarHBondContact O-N 3.42Å; R37-Y52 HydrophobicContact CB-CE2 4.12Å; R37-T62 VanDerWaalsContact CZ-CG2 3.5Å; R37-T62 PolarHBondContact NH1-OG1 3.34Å; R37-E66 IonicContact CZ-OE1 3.54Å; R37-E66 VanDerWaalsContact CZ-OE1 3.25Å; R37-E66 IonicContact CZ-OE2 3.81Å; R37-E66 IonicContact NH1-OE1 3.32Å; R37-E66 PolarHBondContact NH1-OE1 3.24Å; R37-E66 IonicContact NH1-OE2 3.69Å; R37-E66 IonicContact NH2-OE1 3.03Å; R37-E66 PolarHBondContact NH2-OE1 3.34Å; R37-E66 IonicContact NH2-OE2 2.83Å; R37-E66 PolarHBondContact NH2-OE2 3.03Å; R37-G70 PolarHBondContact NH2-O 3.33Å
38L72.7Confident73.3Confident42 Ų4266.7 Ų66.722%0.2236%0.364CS..Hα-helixtrans-67.9-38.1175.4-75.3175.9000112.7I34 K35 V36 Q41 Y52 C58I34-L38 HydrophobicContact CG2-CD1 4.03Å; I34-L38 HydrophobicContact CG2-CG 4.33Å; I34-L38 WeakPolarHBondContact O-CB 3.37Å; I34-L38 WeakPolarHBondContact O-CG 3.21Å; I34-L38 PolarHBondContact O-N 3.06Å; K35-L38 PolarHBondContact O-N 2.92Å; V36-L38 VanDerWaalsContact C-N 3.3Å; V36-L38 PolarHBondContact O-N 3.02Å; L38-Q41 WeakPolarHBondContact O-CG 3.23Å; L38-Q41 PolarHBondContact O-NE2 3.3Å; L38-Y52 HydrophobicContact CD2-CG 4.43Å; L38-C58 HydrophobicContact CD2-CB 3.92Å; L38-C58 HydrophobicContact CG-CB 4.14Å
39Q62.6Low73.1Confident117 Ų11771.7 Ų71.755%0.54740%0.398SS..Hα-helixtrans-76-25.9179.7-73.1-179.9-25.600112.9K35 V36K35-Q39 HydrophobicContact CG-CG 4.5Å; K35-Q39 WeakPolarHBondContact O-CB 3.48Å; K35-Q39 VanDerWaalsContact O-CG 3.22Å; K35-Q39 WeakPolarHBondContact O-CG 3.33Å; K35-Q39 PolarHBondContact O-N 2.77Å; V36-Q39 CarbonylContact O-C 3.59Å; V36-Q39 PolarHBondContact O-N 3.38Å
40T62.6Low72.8Confident25 Ų2575 Ų7515%0.15342%0.416CS..SBendtrans-106.53.1-176.765.50000113.8V36 Q139V36-T40 HydrophobicContact CG1-CG2 3.92Å; V36-T40 WeakPolarHBondContact O-CB 3.16Å; V36-T40 VanDerWaalsContact O-CG2 3.26Å; V36-T40 WeakPolarHBondContact O-CG2 3.21Å; V36-T40 PolarHBondContact O-N 2.99Å; V36-T40 PolarHBondContact O-OG1 3.36Å; T40-Q139 HydrophobicContact CG2-CB 3.63Å; T40-Q139 HydrophobicContact CG2-CG 3.39Å
41Q67.3Low72.5Confident33 Ų3377.6 Ų77.615%0.15443%0.429CS..SBendtrans-64.2141.8178.669.9-176.8-52.700110.1R37 L38 Y52R37-Q41 WeakPolarHBondContact O-CB 3.38Å; R37-Q41 PolarHBondContact O-N 3.42Å; L38-Q41 WeakPolarHBondContact O-CG 3.23Å; L38-Q41 PolarHBondContact O-NE2 3.3Å; Q41-Y52 HydrophobicContact CB-CD2 4Å; Q41-Y52 HydrophobicContact CB-CE2 4.44Å; Q41-Y52 PolarHBondContact NE2-O 3.48Å; Q41-Y52 PolarHBondContact OE1-O 3.39Å
42P68.9Low72.5Confident65 Ų6574.9 Ų74.942%0.42241%0.413SS..PPolyproline II helixtrans-61.5144.8178.323.8-32.1000110.6
43K65.1Low72.6Confident177 Ų17776.2 Ų76.277%0.7743%0.431SS*.PPolyproline II helixtrans-63.7135.6174.1-69.8-177.5-178176.20109K45K43-K45 PolarHBondContact O-N 3.29Å
44P69.8Low72.7Confident56 Ų5676.8 Ų76.836%0.36444%0.44SS..PPolyproline II helixtrans-62.9135.1178.224.1-29.6000109.5E48 L50P44-E48 HydrophobicContact CB-CB 4.44Å; P44-E48 WeakPolarHBondContact CB-O 3.43Å; P44-L50 HydrophobicContact CG-CD2 3.78Å; P44-L50 HydrophobicContact CG-CG 4.34Å
45K74.1Confident72.7Confident143 Ų14380.2 Ų80.262%0.62246%0.462SS*.PPolyproline II helixtrans-67.5159.4170.4-66.9176.6-177.6172.90109.8K43 G47 E48K43-K45 PolarHBondContact O-N 3.29Å; K45-G47 PolarHBondContact O-N 2.94Å; K45-E48 HydrophobicContact CB-CB 4.48Å; K45-E48 HydrophobicContact CB-CG 4.33Å; K45-E48 PolarHBondContact O-N 3.43Å
46P65.4Low73.1Confident141 Ų14181.1 Ų81.192%0.91647%0.471SS*.THydrogen-bonded Turntrans-53.8115.7174.5-22.833000110.5
47G74.1Confident73.7Confident90 Ų9081.3 Ų81.393%0.92847%0.47SS*.THydrogen-bonded Turntrans96-6.8-177.400000116.2K45K45-G47 PolarHBondContact O-N 2.94Å
48E76.4Confident74.2Confident119 Ų11979.7 Ų79.756%0.55646%0.464SS*.PPolyproline II helixtrans-94.5148.4174.1-75.8-179.5172.100112P44 K45P44-E48 HydrophobicContact CB-CB 4.44Å; P44-E48 WeakPolarHBondContact CB-O 3.43Å; K45-E48 HydrophobicContact CB-CB 4.48Å; K45-E48 HydrophobicContact CB-CG 4.33Å; K45-E48 PolarHBondContact O-N 3.43Å
49S75.4Confident74.8Confident111 Ų11181.5 Ų81.578%0.77647%0.471SS*.PPolyproline II helixtrans-84.8156.7172.159.80000111.3L51S49-L51 PolarHBondContact O-N 3.18Å
50L75.2Confident76Confident89 Ų8982.8 Ų82.847%0.46648%0.475SS..PPolyproline II helixtrans-56.9134.1175.5-71.7164.5000110.8P44 Y52P44-L50 HydrophobicContact CG-CD2 3.78Å; P44-L50 HydrophobicContact CG-CG 4.34Å; L50-Y52 PolarHBondContact O-N 2.93Å
51L77.6Confident77.1Confident74 Ų7485 Ų8539%0.38748%0.482SS..SBendtrans-54.6-39.9174.6-179.166.7000111.1S49 K61S49-L51 PolarHBondContact O-N 3.18Å; L51-K61 PolarHBondContact O-NZ 3.42Å
52Y80.9Confident77.9Confident26 Ų2683.5 Ų83.510%0.10248%0.475CS..  trans-129.3115.9173.4-54.3-61000110.4R37 L38 Q41 L50 G54 D57 C58 K61R37-Y52 HydrophobicContact CB-CE2 4.12Å; L38-Y52 HydrophobicContact CD2-CG 4.43Å; Q41-Y52 HydrophobicContact CB-CD2 4Å; Q41-Y52 HydrophobicContact CB-CE2 4.44Å; Q41-Y52 PolarHBondContact NE2-O 3.48Å; Q41-Y52 PolarHBondContact OE1-O 3.39Å; L50-Y52 PolarHBondContact O-N 2.93Å; Y52-G54 PolarHBondContact O-N 3.01Å; Y52-D57 WeakPolarHBondContact CA-OD2 3.48Å; Y52-C58 VanDerWaalsContact CD1-CA 3.47Å; Y52-C58 HydrophobicContact CD1-CB 3.77Å; Y52-C58 HydrophobicContact CD2-CB 4.47Å; Y52-C58 HydrophobicContact CE1-CB 4.39Å; Y52-C58 HydrophobicContact CG-CB 3.81Å; Y52-K61 HydrophobicContact CD1-CB 4.36Å; Y52-K61 HydrophobicContact CD1-CD 3.87Å; Y52-K61 HydrophobicContact CE1-CB 3.99Å; Y52-K61 HydrophobicContact CE1-CD 4.12Å
53A78.8Confident78.8Confident81 Ų8183.9 Ų83.967%0.66947%0.473SS*.SBendtrans-72.1-17.3178.800000113.1D57A53-D57 HydrophobicContact CB-CB 4.25Å; A53-D57 PolarHBondContact N-OD2 2.93Å
54G79Confident79.9Confident27 Ų2779.7 Ų79.728%0.27847%0.472SS..SBendtrans171.9-175.1178.500000112.7Y52 L56 D57 C58Y52-G54 PolarHBondContact O-N 3.01Å; G54-L56 PolarHBondContact O-N 3.34Å; G54-D57 PolarHBondContact O-N 3.37Å; G54-C58 WeakPolarHBondContact O-CB 3.4Å; G54-C58 PolarHBondContact O-N 2.65Å
55T81.3Confident80.7Confident79 Ų7984.6 Ų84.649%0.48549%0.487SS..Hα-helixtrans-56.2-45.9-175.9-48.10000113.1I34 C58 F59I34-T55 HydrophobicContact CG2-CG2 3.7Å; T55-C58 PolarHBondContact O-N 3.45Å; T55-F59 WeakPolarHBondContact O-CB 3.42Å; T55-F59 PolarHBondContact O-N 3.02Å
56L84.1Confident80.9Confident133 Ų13381.5 Ų81.570%0.69648%0.475SS*.Hα-helixtrans-69.5-37.6-179.4-64.5176000112.3G54 F59 K60G54-L56 PolarHBondContact O-N 3.34Å; L56-F59 PolarHBondContact O-N 2.9Å; L56-K60 WeakPolarHBondContact O-CB 3.23Å; L56-K60 VanDerWaalsContact O-CG 3.3Å; L56-K60 WeakPolarHBondContact O-CG 3.19Å; L56-K60 PolarHBondContact O-N 3.45Å
57D84.6Confident81.9Confident45 Ų4576.1 Ų76.124%0.24145%0.445CS..Hα-helixtrans-68.2-43.5176.8-177.345.6000111Y52 A53 G54 F59 K60 K61Y52-D57 WeakPolarHBondContact CA-OD2 3.48Å; A53-D57 HydrophobicContact CB-CB 4.25Å; A53-D57 PolarHBondContact N-OD2 2.93Å; G54-D57 PolarHBondContact O-N 3.37Å; D57-F59 PolarHBondContact O-N 3.16Å; D57-K60 PolarHBondContact O-N 3.35Å; D57-K61 VanDerWaalsContact O-CB 3.31Å; D57-K61 WeakPolarHBondContact O-CB 3.47Å; D57-K61 WeakPolarHBondContact O-CG 3.3Å; D57-K61 PolarHBondContact O-N 3.48Å; D57-K61 WeakPolarHBondContact OD1-CD 3.32Å; D57-K61 WeakPolarHBondContact OD1-CE 3.36Å; D57-K61 IonicContact OD1-NZ 2.67Å; D57-K61 PolarHBondContact OD1-NZ 2.97Å; D57-K61 WeakPolarHBondContact OD2-CE 3.4Å; D57-K61 IonicContact OD2-NZ 2.78Å; D57-K61 PolarHBondContact OD2-NZ 3.11Å
58C81.4Confident82.4Confident0 Ų076.2 Ų76.20%043%0.427CS..Hα-helixtrans-60.7-43.5174.2-1710000112.3I34 L38 Y52 G54 T55 T62I34-C58 HydrophobicContact CG2-CB 3.94Å; L38-C58 HydrophobicContact CD2-CB 3.92Å; L38-C58 HydrophobicContact CG-CB 4.14Å; Y52-C58 VanDerWaalsContact CD1-CA 3.47Å; Y52-C58 HydrophobicContact CD1-CB 3.77Å; Y52-C58 HydrophobicContact CD2-CB 4.47Å; Y52-C58 HydrophobicContact CE1-CB 4.39Å; Y52-C58 HydrophobicContact CG-CB 3.81Å; G54-C58 WeakPolarHBondContact O-CB 3.4Å; G54-C58 PolarHBondContact O-N 2.65Å; T55-C58 PolarHBondContact O-N 3.45Å; C58-T62 WeakPolarHBondContact O-CB 3.47Å; C58-T62 PolarHBondContact O-N 3.1Å; C58-T62 PolarHBondContact O-OG1 3.02Å
59F85.5Confident82.8Confident80 Ų8079.4 Ų79.435%0.35144%0.439SS..Hα-helixtrans-60.3-52.7175.5178.6-104.8000111.9I34 T55 L56 D57 K61 T62 L63 L71I34-F59 HydrophobicContact CD1-CB 4Å; I34-F59 HydrophobicContact CD1-CD2 3.74Å; I34-F59 HydrophobicContact CD1-CG 4.31Å; T55-F59 WeakPolarHBondContact O-CB 3.42Å; T55-F59 PolarHBondContact O-N 3.02Å; L56-F59 PolarHBondContact O-N 2.9Å; D57-F59 PolarHBondContact O-N 3.16Å; F59-K61 PolarHBondContact O-N 3.01Å; F59-T62 PolarHBondContact O-N 3.38Å; F59-L63 HydrophobicContact CE1-CD2 4.49Å; F59-L63 WeakPolarHBondContact O-CB 3.46Å; F59-L63 PolarHBondContact O-N 3.38Å; F59-L71 HydrophobicContact CD2-CD1 4.29Å; F59-L71 HydrophobicContact CD2-CD2 3.97Å; F59-L71 HydrophobicContact CE2-CD1 3.63Å; F59-L71 HydrophobicContact CE2-CD2 4.16Å; F59-L71 HydrophobicContact CZ-CD1 4.46Å
60K88.4Confident82.9Confident145 Ų14574.2 Ų74.263%0.6340%0.403SS*.Hα-helixtrans-59.8-47.7-179.8-74177.5-178.3-175.90111.8L56 D57 T62 L63 A64L56-K60 WeakPolarHBondContact O-CB 3.23Å; L56-K60 VanDerWaalsContact O-CG 3.3Å; L56-K60 WeakPolarHBondContact O-CG 3.19Å; L56-K60 PolarHBondContact O-N 3.45Å; D57-K60 PolarHBondContact O-N 3.35Å; K60-T62 VanDerWaalsContact C-N 3.35Å; K60-T62 PolarHBondContact O-N 3.02Å; K60-L63 PolarHBondContact O-N 2.99Å; K60-A64 WeakPolarHBondContact O-CB 3.28Å; K60-A64 PolarHBondContact O-N 3.46Å
61K85.6Confident83.1Confident72 Ų7270.5 Ų70.531%0.31338%0.384SS..Hα-helixtrans-64.1-38.8178.4-75.5171.9172.8166.90112.2L51 Y52 D57 F59 A64 K65L51-K61 PolarHBondContact O-NZ 3.42Å; Y52-K61 HydrophobicContact CD1-CB 4.36Å; Y52-K61 HydrophobicContact CD1-CD 3.87Å; Y52-K61 HydrophobicContact CE1-CB 3.99Å; Y52-K61 HydrophobicContact CE1-CD 4.12Å; D57-K61 VanDerWaalsContact O-CB 3.31Å; D57-K61 WeakPolarHBondContact O-CB 3.47Å; D57-K61 WeakPolarHBondContact O-CG 3.3Å; D57-K61 PolarHBondContact O-N 3.48Å; D57-K61 WeakPolarHBondContact OD1-CD 3.32Å; D57-K61 WeakPolarHBondContact OD1-CE 3.36Å; D57-K61 IonicContact OD1-NZ 2.67Å; D57-K61 PolarHBondContact OD1-NZ 2.97Å; D57-K61 WeakPolarHBondContact OD2-CE 3.4Å; D57-K61 IonicContact OD2-NZ 2.78Å; D57-K61 PolarHBondContact OD2-NZ 3.11Å; F59-K61 PolarHBondContact O-N 3.01Å; K61-A64 PolarHBondContact O-N 3.23Å; K61-K65 WeakPolarHBondContact O-CB 3.47Å; K61-K65 WeakPolarHBondContact O-CG 3.33Å; K61-K65 PolarHBondContact O-N 3.36Å
62T83.9Confident83.3Confident1 Ų170.7 Ų70.71%0.00638%0.38CS..Hα-helixtrans-65.7-45.3176.4-60.80000110.9R37 C58 F59 K60 A64 K65 E66 G67 L71R37-T62 VanDerWaalsContact CZ-CG2 3.5Å; R37-T62 PolarHBondContact NH1-OG1 3.34Å; C58-T62 WeakPolarHBondContact O-CB 3.47Å; C58-T62 PolarHBondContact O-N 3.1Å; C58-T62 PolarHBondContact O-OG1 3.02Å; F59-T62 PolarHBondContact O-N 3.38Å; K60-T62 VanDerWaalsContact C-N 3.35Å; K60-T62 PolarHBondContact O-N 3.02Å; T62-A64 VanDerWaalsContact C-N 3.34Å; T62-A64 PolarHBondContact O-N 3.49Å; T62-K65 PolarHBondContact O-N 3.39Å; T62-E66 PolarHBondContact O-N 2.85Å; T62-G67 PolarHBondContact O-N 2.95Å; T62-L71 HydrophobicContact CG2-CD2 3.9Å; T62-L71 HydrophobicContact CG2-CG 4.39Å
63L87.8Confident82.9Confident72 Ų7276.6 Ų76.638%0.37741%0.406SS..Hα-helixtrans-64-40.6177.7-168.767.6000111.7F59 K60 G67 V68F59-L63 HydrophobicContact CE1-CD2 4.49Å; F59-L63 WeakPolarHBondContact O-CB 3.46Å; F59-L63 PolarHBondContact O-N 3.38Å; K60-L63 PolarHBondContact O-N 2.99Å; L63-G67 WeakPolarHBondContact O-CA 3.31Å; L63-G67 PolarHBondContact O-N 2.88Å; L63-V68 HydrophobicContact CD1-CG2 3.84Å
64A88.7Confident82.6Confident90 Ų9075.4 Ų75.474%0.74440%0.401SS*.Hα-helixtrans-68.6-37.7178.600000113.3K60 K61 T62K60-A64 WeakPolarHBondContact O-CB 3.28Å; K60-A64 PolarHBondContact O-N 3.46Å; K61-A64 PolarHBondContact O-N 3.23Å; T62-A64 VanDerWaalsContact C-N 3.34Å; T62-A64 PolarHBondContact O-N 3.49Å
65K85.6Confident82.6Confident159 Ų15975.9 Ų75.969%0.69140%0.397SS*.Hα-helixtrans-89.2-37.4-176.1-70.7-173.9176.4-173.50114.3K61 T62K61-K65 WeakPolarHBondContact O-CB 3.47Å; K61-K65 WeakPolarHBondContact O-CG 3.33Å; K61-K65 PolarHBondContact O-N 3.36Å; T62-K65 PolarHBondContact O-N 3.39Å
66E79.7Confident82.4Confident78 Ų7875.1 Ų75.136%0.36440%0.399SS..Hα-helixtrans-122.3-3.6-170-65175.9-126.600113.1R37 T62 G70R37-E66 IonicContact CZ-OE1 3.54Å; R37-E66 VanDerWaalsContact CZ-OE1 3.25Å; R37-E66 IonicContact CZ-OE2 3.81Å; R37-E66 IonicContact NH1-OE1 3.32Å; R37-E66 PolarHBondContact NH1-OE1 3.24Å; R37-E66 IonicContact NH1-OE2 3.69Å; R37-E66 IonicContact NH2-OE1 3.03Å; R37-E66 PolarHBondContact NH2-OE1 3.34Å; R37-E66 IonicContact NH2-OE2 2.83Å; R37-E66 PolarHBondContact NH2-OE2 3.03Å; T62-E66 PolarHBondContact O-N 2.85Å; E66-G70 PolarHBondContact O-N 3.04Å
67G86.1Confident81.8Confident27 Ų2772.2 Ų72.228%0.27839%0.394SS..Hα-helixtrans63.8-167.8-174.800000112.9T62 L63 K69 G70T62-G67 PolarHBondContact O-N 2.95Å; L63-G67 WeakPolarHBondContact O-CA 3.31Å; L63-G67 PolarHBondContact O-N 2.88Å; G67-K69 PolarHBondContact O-N 3.28Å; G67-G70 PolarHBondContact O-N 3.49Å; G67-G70 VanDerWaalsContact O-N 3.09Å
68V85.2Confident81.1Confident92 Ų9272.4 Ų72.456%0.55840%0.398SS*.Hα-helixtrans-60.4-34.1179.4-179.80000111.3L63 G70 L71 Y72L63-V68 HydrophobicContact CD1-CG2 3.84Å; V68-G70 PolarHBondContact O-N 2.87Å; V68-L71 WeakPolarHBondContact O-CB 3.41Å; V68-L71 PolarHBondContact O-N 3.35Å; V68-Y72 HydrophobicContact CG1-CD2 4.16Å; V68-Y72 HydrophobicContact CG1-CE2 3.86Å; V68-Y72 WeakPolarHBondContact O-CD2 3.27Å
69K83.2Confident80.9Confident187 Ų18775.3 Ų75.381%0.81341%0.412SS*.Hα-helixtrans-60.6-30.8177.7-67.8-176.6179.3178.60112.6G67 L71 Y72 K73G67-K69 PolarHBondContact O-N 3.28Å; K69-L71 PolarHBondContact O-N 3.4Å; K69-Y72 PolarHBondContact O-N 3.49Å; K69-Y72 VanDerWaalsContact O-N 3.16Å; K69-K73 PolarHBondContact O-N 3.27Å
70G77.2Confident80.6Confident2 Ų277.5 Ų77.52%0.02143%0.426CS..Hα-helixtrans-61.6-29.5175.300000114R37 E66 G67 V68 Y72R37-G70 PolarHBondContact NH2-O 3.33Å; E66-G70 PolarHBondContact O-N 3.04Å; G67-G70 PolarHBondContact O-N 3.49Å; G67-G70 VanDerWaalsContact O-N 3.09Å; V68-G70 PolarHBondContact O-N 2.87Å; G70-Y72 VanDerWaalsContact C-N 3.34Å
71L80.2Confident79.9Confident10 Ų1072 Ų725%0.05241%0.411CS..Hα-helixtrans-76.4-20.3177.5-62.7171.2000113.2H29 P30 T33 I34 F59 T62 V68 K69H29-L71 PolarHBondContact CD2-O 2.94Å; H29-L71 VanDerWaalsContact CD2-O 3.24Å; P30-L71 HydrophobicContact CB-CB 4.21Å; P30-L71 HydrophobicContact CG-CB 4.47Å; T33-L71 PolarHBondContact OG1-O 2.84Å; T33-L71 VanDerWaalsContact OG1-O 3.04Å; I34-L71 HydrophobicContact CG1-CD2 4.39Å; F59-L71 HydrophobicContact CD2-CD1 4.29Å; F59-L71 HydrophobicContact CD2-CD2 3.97Å; F59-L71 HydrophobicContact CE2-CD1 3.63Å; F59-L71 HydrophobicContact CE2-CD2 4.16Å; F59-L71 HydrophobicContact CZ-CD1 4.46Å; T62-L71 HydrophobicContact CG2-CD2 3.9Å; T62-L71 HydrophobicContact CG2-CG 4.39Å; V68-L71 WeakPolarHBondContact O-CB 3.41Å; V68-L71 PolarHBondContact O-N 3.35Å; K69-L71 PolarHBondContact O-N 3.4Å
72Y81.4Confident79.3Confident79 Ų7971 Ų7131%0.3141%0.411SS..SBendtrans-106.94.4-178-67.6-77.8000113.4V26 P30 V68 K69 G70 G74 M75V26-Y72 HydrophobicContact CG1-CE1 3.97Å; V26-Y72 WeakPolarHBondContact O-CE1 3.4Å; P30-Y72 HydrophobicContact CG-CE1 3.93Å; P30-Y72 HydrophobicContact CG-CE2 4.42Å; V68-Y72 HydrophobicContact CG1-CD2 4.16Å; V68-Y72 HydrophobicContact CG1-CE2 3.86Å; V68-Y72 WeakPolarHBondContact O-CD2 3.27Å; K69-Y72 PolarHBondContact O-N 3.49Å; K69-Y72 VanDerWaalsContact O-N 3.16Å; G70-Y72 VanDerWaalsContact C-N 3.34Å; Y72-G74 PolarHBondContact O-N 3.25Å; Y72-M75 HydrophobicContact CD1-CE 4.1Å; Y72-M75 HydrophobicContact CD1-SD 3.71Å; Y72-M75 HydrophobicContact CE1-SD 4.35Å; Y72-M75 VanDerWaalsContact O-CB 3.3Å; Y72-M75 WeakPolarHBondContact O-CB 3.38Å; Y72-M75 PolarHBondContact O-N 2.95Å
73K73.3Confident78.9Confident150 Ų15075.6 Ų75.665%0.65244%0.439SS*.THydrogen-bonded Turntrans-62.1128.5-179.6-162.5172.5-177.6176.40109.8H29 K69H29-K73 PolarHBondContact NE2-O 3.3Å; K69-K73 PolarHBondContact O-N 3.27Å
74G72.4Confident78.5Confident55 Ų5575.4 Ų75.457%0.56744%0.442SS*.THydrogen-bonded Turntrans85.14.7179.900000115.9Y72 A76 P78Y72-G74 PolarHBondContact O-N 3.25Å; G74-A76 VanDerWaalsContact C-N 3.25Å; G74-A76 PolarHBondContact O-N 3.39Å; G74-P78 VanDerWaalsContact O-CD 3.23Å; G74-P78 WeakPolarHBondContact O-CD 3.41Å
75M79.3Confident78.2Confident37 Ų3773.4 Ų73.418%0.18242%0.418CS..THydrogen-bonded Turntrans-67.2-20-179.6-169.917762.800114.3V25 V26 H29 Y72 A77 P78 I79V25-M75 HydrophobicContact CG1-CG 3.76Å; V25-M75 HydrophobicContact CG1-SD 4.17Å; V26-M75 HydrophobicContact CG2-CE 4.2Å; V26-M75 HydrophobicContact CG2-SD 3.91Å; H29-M75 HydrophobicContact CB-CG 4.37Å; H29-M75 HydrophobicContact CB-SD 4.24Å; H29-M75 VanDerWaalsContact CE1-CA 3.48Å; H29-M75 WeakPolarHBondContact CE1-CA 3.48Å; Y72-M75 HydrophobicContact CD1-CE 4.1Å; Y72-M75 HydrophobicContact CD1-SD 3.71Å; Y72-M75 HydrophobicContact CE1-SD 4.35Å; Y72-M75 VanDerWaalsContact O-CB 3.3Å; Y72-M75 WeakPolarHBondContact O-CB 3.38Å; Y72-M75 PolarHBondContact O-N 2.95Å; M75-A77 VanDerWaalsContact C-N 3.33Å; M75-A77 PolarHBondContact O-N 3.42Å; M75-P78 WeakPolarHBondContact O-CD 3.41Å; M75-P78 WeakPolarHBondContact O-CG 3.13Å; M75-I79 HydrophobicContact CE-CD1 4.03Å; M75-I79 HydrophobicContact CG-CD1 3.81Å; M75-I79 HydrophobicContact CG-CG1 4.25Å; M75-I79 WeakPolarHBondContact O-CG1 3.3Å; M75-I79 PolarHBondContact O-N 3.42Å; M75-I79 HydrophobicContact SD-CD1 4.25Å
76A75.9Confident78Confident64 Ų6470.7 Ų70.753%0.52941%0.406SS..Hα-helixtrans-61.7-39.7179.100000112.8G74 I79 I80G74-A76 VanDerWaalsContact C-N 3.25Å; G74-A76 PolarHBondContact O-N 3.39Å; A76-I79 PolarHBondContact O-N 2.95Å; A76-I80 VanDerWaalsContact O-CG1 3.32Å; A76-I80 WeakPolarHBondContact O-CG1 3.43Å; A76-I80 PolarHBondContact O-N 2.9Å
77A72.4Confident78.1Confident72 Ų7269.8 Ų69.860%0.59541%0.413SS*.Hα-helixtrans-61.5-50-179.500000113.3M75 I79 I80 G81M75-A77 VanDerWaalsContact C-N 3.33Å; M75-A77 PolarHBondContact O-N 3.42Å; A77-I79 PolarHBondContact O-N 3.42Å; A77-I80 PolarHBondContact O-N 3.3Å; A77-G81 PolarHBondContact O-N 3.07Å
78P70.6Confident78.1Confident49 Ų4970.5 Ų70.532%0.31841%0.411SS..Hα-helixtrans-64.9-35.5175.720.4-29.7000113.1V25 G74 M75 V82V25-P78 HydrophobicContact CG1-CG 4.48Å; G74-P78 VanDerWaalsContact O-CD 3.23Å; G74-P78 WeakPolarHBondContact O-CD 3.41Å; M75-P78 WeakPolarHBondContact O-CD 3.41Å; M75-P78 WeakPolarHBondContact O-CG 3.13Å; P78-V82 VanDerWaalsContact O-CB 3.25Å; P78-V82 WeakPolarHBondContact O-CB 3.41Å; P78-V82 VanDerWaalsContact O-CG2 3.25Å; P78-V82 WeakPolarHBondContact O-CG2 3.48Å; P78-V82 PolarHBondContact O-N 3.46Å
79I77.1Confident78.1Confident60 Ų6066.9 Ų66.931%0.30839%0.39SS..Hα-helixtrans-63.3-47.3177.2-68.4173.1000111.1V25 M75 A76 A77V25-I79 HydrophobicContact CG1-CG1 4.08Å; M75-I79 HydrophobicContact CE-CD1 4.03Å; M75-I79 HydrophobicContact CG-CD1 3.81Å; M75-I79 HydrophobicContact CG-CG1 4.25Å; M75-I79 WeakPolarHBondContact O-CG1 3.3Å; M75-I79 PolarHBondContact O-N 3.42Å; M75-I79 HydrophobicContact SD-CD1 4.25Å; A76-I79 PolarHBondContact O-N 2.95Å; A77-I79 PolarHBondContact O-N 3.42Å
80I77.8Confident78.2Confident126 Ų12663.6 Ų63.665%0.64638%0.376SS*.Hα-helixtrans-71.3-39.1-179.3-64.7167000110.9A76 A77 P84A76-I80 VanDerWaalsContact O-CG1 3.32Å; A76-I80 WeakPolarHBondContact O-CG1 3.43Å; A76-I80 PolarHBondContact O-N 2.9Å; A77-I80 PolarHBondContact O-N 3.3Å; I80-P84 WeakPolarHBondContact O-CD 3.26Å
81G73.6Confident78.7Confident30 Ų3069.6 Ų69.631%0.30940%0.401SS..Hα-helixtrans-76.2-22-17500000114.7A77 P84 M85A77-G81 PolarHBondContact O-N 3.07Å; G81-P84 WeakPolarHBondContact O-CD 3.14Å; G81-M85 WeakPolarHBondContact O-CB 3.47Å; G81-M85 PolarHBondContact O-N 3.28Å
82V73.6Confident78.9Confident50 Ų5069.1 Ų69.130%0.30340%0.399SS..Hα-helixtrans-62.8-44.1-177.61390000112P78 M85 F86P78-V82 VanDerWaalsContact O-CB 3.25Å; P78-V82 WeakPolarHBondContact O-CB 3.41Å; P78-V82 VanDerWaalsContact O-CG2 3.25Å; P78-V82 WeakPolarHBondContact O-CG2 3.48Å; P78-V82 PolarHBondContact O-N 3.46Å; V82-M85 WeakPolarHBondContact O-CB 3.25Å; V82-M85 PolarHBondContact O-N 3.49Å; V82-F86 HydrophobicContact CG1-CD2 3.8Å; V82-F86 HydrophobicContact CG1-CE2 3.85Å; V82-F86 HydrophobicContact CG2-CE2 4.34Å; V82-F86 WeakPolarHBondContact O-CD2 3.21Å; V82-F86 PolarHBondContact O-N 3.06Å
83T76.5Confident79.2Confident98 Ų9865.8 Ų65.860%0.60139%0.386SS*.Hα-helixtrans-66.9-50.6-175-55.50000113M85 F86 A87T83-M85 VanDerWaalsContact C-N 3.27Å; T83-M85 PolarHBondContact O-N 3.49Å; T83-F86 PolarHBondContact O-N 3.25Å; T83-A87 WeakPolarHBondContact O-CB 3.25Å; T83-A87 PolarHBondContact O-N 3.06Å
84P79.8Confident79.7Confident68 Ų6860.2 Ų60.244%0.44237%0.371SS..Hα-helixtrans-61-36.9175.1-22.633.8000112.7I80 G81 A87 V88I80-P84 WeakPolarHBondContact O-CD 3.26Å; G81-P84 WeakPolarHBondContact O-CD 3.14Å; P84-A87 PolarHBondContact O-N 2.89Å; P84-V88 PolarHBondContact O-N 3.42Å; P84-V88 VanDerWaalsContact O-N 3.09Å
85M80.8Confident80.4Confident48 Ų4860.6 Ų60.624%0.23636%0.36CS..Hα-helixtrans-61.7-49.7177.9-177.7-173.9-59.100111.5G81 V82 T83 V88 C89 T124 M128G81-M85 WeakPolarHBondContact O-CB 3.47Å; G81-M85 PolarHBondContact O-N 3.28Å; V82-M85 WeakPolarHBondContact O-CB 3.25Å; V82-M85 PolarHBondContact O-N 3.49Å; T83-M85 VanDerWaalsContact C-N 3.27Å; T83-M85 PolarHBondContact O-N 3.49Å; M85-V88 PolarHBondContact O-N 3.3Å; M85-C89 VanDerWaalsContact O-CB 3.27Å; M85-C89 WeakPolarHBondContact O-CB 3.47Å; M85-C89 PolarHBondContact O-N 2.84Å; M85-T124 HydrophobicContact CG-CG2 3.65Å; M85-T124 HydrophobicContact SD-CG2 4.4Å; M85-M128 HydrophobicContact CE-CE 4.15Å; M85-M128 HydrophobicContact CE-CG 3.51Å; M85-M128 HydrophobicContact CE-SD 3.71Å; M85-M128 HydrophobicContact CG-CG 4.36Å; M85-M128 HydrophobicContact CG-SD 4.26Å; M85-M128 HydrophobicContact SD-CE 4.33Å; M85-M128 HydrophobicContact SD-CG 4.03Å; M85-M128 HydrophobicContact SD-SD 3.52Å
86F81.4Confident80.8Confident102 Ų10258.9 Ų58.945%0.44735%0.352SS..Hα-helixtrans-66.7-36.7177.3-79.2-64.5000112.6V82 T83 V88 C89 F90V82-F86 HydrophobicContact CG1-CD2 3.8Å; V82-F86 HydrophobicContact CG1-CE2 3.85Å; V82-F86 HydrophobicContact CG2-CE2 4.34Å; V82-F86 WeakPolarHBondContact O-CD2 3.21Å; V82-F86 PolarHBondContact O-N 3.06Å; T83-F86 PolarHBondContact O-N 3.25Å; F86-V88 VanDerWaalsContact C-N 3.32Å; F86-V88 PolarHBondContact O-N 3.04Å; F86-C89 WeakPolarHBondContact O-CB 3.44Å; F86-C89 PolarHBondContact O-N 3.45Å; F86-F90 HydrophobicContact CB-CD2 4.34Å; F86-F90 HydrophobicContact CB-CE2 4.32Å; F86-F90 HydrophobicContact CD1-CE2 4.26Å; F86-F90 WeakPolarHBondContact O-CD2 3.48Å; F86-F90 PolarHBondContact O-N 3.47Å
87A82.3Confident81.2Confident60 Ų6059 Ų5950%0.49634%0.34SS..Hα-helixtrans-58.4-45.9176.500000111.5T83 P84 F91T83-A87 WeakPolarHBondContact O-CB 3.25Å; T83-A87 PolarHBondContact O-N 3.06Å; P84-A87 PolarHBondContact O-N 2.89Å; A87-F91 VanDerWaalsContact O-CB 3.31Å; A87-F91 WeakPolarHBondContact O-CB 3.31Å; A87-F91 PolarHBondContact O-N 3.28Å
88V86.3Confident81.8Confident41 Ų4163 Ų6325%0.24835%0.345CS..Hα-helixtrans-73.4-33.1179.5170.80000112.4P84 M85 F86 G92 F123 I127P84-V88 PolarHBondContact O-N 3.42Å; P84-V88 VanDerWaalsContact O-N 3.09Å; M85-V88 PolarHBondContact O-N 3.3Å; F86-V88 VanDerWaalsContact C-N 3.32Å; F86-V88 PolarHBondContact O-N 3.04Å; V88-G92 PolarHBondContact O-N 3.14Å; V88-F123 HydrophobicContact CG1-CB 3.69Å; V88-F123 HydrophobicContact CG1-CD1 4.48Å; V88-I127 HydrophobicContact CB-CD1 3.74Å; V88-I127 HydrophobicContact CG1-CD1 3.81Å; V88-I127 HydrophobicContact CG2-CD1 3.56Å
89C86.3Confident82.6Confident16 Ų1666.5 Ų66.511%0.10836%0.36CS..Hα-helixtrans-57.8-58168.9-178.40000110.8M85 F86 F91 G92 F93 S120 T124M85-C89 VanDerWaalsContact O-CB 3.27Å; M85-C89 WeakPolarHBondContact O-CB 3.47Å; M85-C89 PolarHBondContact O-N 2.84Å; F86-C89 WeakPolarHBondContact O-CB 3.44Å; F86-C89 PolarHBondContact O-N 3.45Å; C89-F91 VanDerWaalsContact C-N 3.31Å; C89-F91 PolarHBondContact O-N 3.03Å; C89-G92 PolarHBondContact O-N 2.91Å; C89-G92 VanDerWaalsContact O-N 3.08Å; C89-F93 PolarHBondContact O-N 3.47Å; C89-S120 VanDerWaalsContact C-OG 3.29Å; C89-S120 WeakPolarHBondContact CA-OG 3.19Å; C89-S120 PolarHBondContact O-OG 2.99Å; C89-S120 PolarHBondContact SG-OG 3.37Å; C89-T124 WeakPolarHBondContact CA-OG1 3.45Å; C89-T124 VanDerWaalsContact CB-OG1 3.31Å; C89-T124 WeakPolarHBondContact CB-OG1 3.42Å
90F83.9Confident82.9Confident119 Ų11965.7 Ų65.752%0.52236%0.355SS..Hα-helixtrans-63.6-34.3179.5-75.6-64.7000113.4F86 F93 G94 F187F86-F90 HydrophobicContact CB-CD2 4.34Å; F86-F90 HydrophobicContact CB-CE2 4.32Å; F86-F90 HydrophobicContact CD1-CE2 4.26Å; F86-F90 WeakPolarHBondContact O-CD2 3.48Å; F86-F90 PolarHBondContact O-N 3.47Å; F90-F93 PolarHBondContact O-N 2.96Å; F90-G94 PolarHBondContact O-N 3.43Å; F90-F187 HydrophobicContact CD1-CE1 4.34Å; F90-F187 HydrophobicContact CD1-CZ 4.49Å; F90-F187 HydrophobicContact CE1-CE1 4.06Å; F90-F187 HydrophobicContact CE1-CZ 4.41Å
91F87.8Confident83.1Confident127 Ų12762.9 Ų62.956%0.55734%0.339SS*.Hα-helixtrans-59.3-50170.9173.5-97.7000111.4A87 C89 F93 G94 L95 F123A87-F91 VanDerWaalsContact O-CB 3.31Å; A87-F91 WeakPolarHBondContact O-CB 3.31Å; A87-F91 PolarHBondContact O-N 3.28Å; C89-F91 VanDerWaalsContact C-N 3.31Å; C89-F91 PolarHBondContact O-N 3.03Å; F91-F93 PolarHBondContact O-N 2.92Å; F91-G94 PolarHBondContact O-N 3.5Å; F91-L95 WeakPolarHBondContact O-CB 3.36Å; F91-L95 PolarHBondContact O-N 2.94Å; F91-F123 HydrophobicContact CD1-CD1 4.44Å; F91-F123 HydrophobicContact CD1-CE1 4.42Å; F91-F123 HydrophobicContact CE1-CD1 4.49Å; F91-F123 HydrophobicContact CE1-CE1 4.04Å; F91-F123 HydrophobicContact CE1-CZ 4.24Å
92G85.6Confident83.1Confident0 Ų072.7 Ų72.70%037%0.367CS..Hα-helixtrans-61.7-42.5177.200000112.3V88 C89 L95 G96 L119V88-G92 PolarHBondContact O-N 3.14Å; C89-G92 PolarHBondContact O-N 2.91Å; C89-G92 VanDerWaalsContact O-N 3.08Å; G92-L95 PolarHBondContact O-N 3.3Å; G92-G96 PolarHBondContact O-N 3.3Å; G92-L119 WeakPolarHBondContact O-CD2 3.31Å
93F85.8Confident83Confident9 Ų974.4 Ų74.44%0.03938%0.377CS..Hα-helixtrans-62.6-44.5175.1-175.5-121.7000112.2C89 F90 F91 G96 K97 L113 A116 F187C89-F93 PolarHBondContact O-N 3.47Å; F90-F93 PolarHBondContact O-N 2.96Å; F91-F93 PolarHBondContact O-N 2.92Å; F93-G96 PolarHBondContact O-N 3.5Å; F93-K97 HydrophobicContact CD1-CD 4.3Å; F93-K97 HydrophobicContact CE1-CD 3.72Å; F93-K97 VanDerWaalsContact CE1-CE 3.49Å; F93-K97 HydrophobicContact CE1-CG 4.35Å; F93-K97 HydrophobicContact CE2-CD 4.35Å; F93-K97 HydrophobicContact CE2-CG 4.21Å; F93-K97 HydrophobicContact CZ-CD 3.75Å; F93-K97 HydrophobicContact CZ-CG 4.11Å; F93-K97 WeakPolarHBondContact O-CG 3.08Å; F93-K97 PolarHBondContact O-N 2.9Å; F93-L113 HydrophobicContact CZ-CD2 4.12Å; F93-A116 HydrophobicContact CD2-CB 3.82Å; F93-A116 HydrophobicContact CE2-CB 3.71Å; F93-F187 HydrophobicContact CB-CE1 4.11Å; F93-F187 HydrophobicContact CB-CE2 4.19Å; F93-F187 HydrophobicContact CB-CZ 3.89Å; F93-F187 AromaticContact CD1-CD1 3.7Å; F93-F187 HydrophobicContact CD1-CD1 3.7Å; F93-F187 AromaticContact CD1-CE1 3.59Å; F93-F187 HydrophobicContact CD1-CE1 3.59Å; F93-F187 HydrophobicContact CD1-CG 4.43Å; F93-F187 HydrophobicContact CD1-CZ 4.26Å; F93-F187 HydrophobicContact CD2-CB 4.05Å; F93-F187 AromaticContact CD2-CD1 3.72Å; F93-F187 HydrophobicContact CD2-CD1 3.72Å; F93-F187 AromaticContact CD2-CD2 3.87Å; F93-F187 HydrophobicContact CD2-CD2 3.87Å; F93-F187 HydrophobicContact CD2-CE1 4.09Å; F93-F187 HydrophobicContact CD2-CE2 4.24Å; F93-F187 AromaticContact CD2-CG 3.6Å; F93-F187 HydrophobicContact CD2-CG 3.6Å; F93-F187 HydrophobicContact CD2-CZ 4.33Å; F93-F187 AromaticContact CE1-CD1 3.61Å; F93-F187 HydrophobicContact CE1-CD1 3.61Å; F93-F187 AromaticContact CE1-CE1 3.95Å; F93-F187 HydrophobicContact CE1-CE1 3.95Å; F93-F187 HydrophobicContact CE1-CG 4.36Å; F93-F187 HydrophobicContact CE2-CB 3.52Å; F93-F187 AromaticContact CE2-CD1 3.66Å; F93-F187 HydrophobicContact CE2-CD1 3.66Å; F93-F187 HydrophobicContact CE2-CD2 4.25Å; F93-F187 HydrophobicContact CE2-CE1 4.43Å; F93-F187 AromaticContact CE2-CG 3.54Å; F93-F187 HydrophobicContact CE2-CG 3.54Å; F93-F187 AromaticContact CG-CD1 3.74Å; F93-F187 HydrophobicContact CG-CD1 3.74Å; F93-F187 HydrophobicContact CG-CD2 4.29Å; F93-F187 AromaticContact CG-CE1 3.66Å; F93-F187 HydrophobicContact CG-CE1 3.66Å; F93-F187 HydrophobicContact CG-CE2 4.23Å; F93-F187 HydrophobicContact CG-CG 4.06Å; F93-F187 AromaticContact CG-CZ 3.92Å; F93-F187 HydrophobicContact CG-CZ 3.92Å; F93-F187 HydrophobicContact CZ-CB 3.93Å; F93-F187 AromaticContact CZ-CD1 3.59Å; F93-F187 HydrophobicContact CZ-CD1 3.59Å; F93-F187 HydrophobicContact CZ-CE1 4.36Å; F93-F187 AromaticContact CZ-CG 3.94Å; F93-F187 HydrophobicContact CZ-CG 3.94Å
94G84.3Confident82.6Confident33 Ų3374.9 Ų74.934%0.3438%0.382SS..Hα-helixtrans-60.8-45.3177.300000112.6F90 F91 G96 K97 K98F90-G94 PolarHBondContact O-N 3.43Å; F91-G94 PolarHBondContact O-N 3.5Å; G94-G96 VanDerWaalsContact C-N 3.34Å; G94-K97 PolarHBondContact O-N 2.73Å; G94-K98 PolarHBondContact O-N 3.2Å
95L87.8Confident82Confident63 Ų6378.9 Ų78.933%0.3340%0.4SS..Hα-helixtrans-62.7-42.5174.2-175.861.2000111.4F91 G92 K97 K98 L99 L119 F123F91-L95 WeakPolarHBondContact O-CB 3.36Å; F91-L95 PolarHBondContact O-N 2.94Å; G92-L95 PolarHBondContact O-N 3.3Å; L95-K97 VanDerWaalsContact C-N 3.32Å; L95-K97 PolarHBondContact O-N 3.1Å; L95-K98 PolarHBondContact O-N 3.13Å; L95-L99 HydrophobicContact CG-CD1 4.35Å; L95-L99 WeakPolarHBondContact O-CG 3.49Å; L95-L99 PolarHBondContact O-N 2.96Å; L95-L119 HydrophobicContact CB-CD2 3.97Å; L95-L119 HydrophobicContact CD2-CD2 4.08Å; L95-L119 HydrophobicContact CG-CD2 4.03Å; L95-F123 HydrophobicContact CD2-CE2 4.14Å; L95-F123 HydrophobicContact CD2-CZ 4.05Å
96G86.6Confident81.7Confident2 Ų279.7 Ų79.72%0.02141%0.405CS..Hα-helixtrans-63.7-35.517900000113.1G92 F93 G94 Q100 A116G92-G96 PolarHBondContact O-N 3.3Å; F93-G96 PolarHBondContact O-N 3.5Å; G94-G96 VanDerWaalsContact C-N 3.34Å; G96-Q100 WeakPolarHBondContact O-CG 3.43Å; G96-Q100 PolarHBondContact O-NE2 3.06Å; G96-A116 VanDerWaalsContact C-CB 3.5Å
97K84.4Confident81.4Confident65 Ų6582.1 Ų82.128%0.28342%0.421SS..Hα-helixtrans-67-48.6170.9-72.2-167.5-69.2178.80111.1F93 G94 L95 L99 Q100 Q101 L108 L113 A116F93-K97 HydrophobicContact CD1-CD 4.3Å; F93-K97 HydrophobicContact CE1-CD 3.72Å; F93-K97 VanDerWaalsContact CE1-CE 3.49Å; F93-K97 HydrophobicContact CE1-CG 4.35Å; F93-K97 HydrophobicContact CE2-CD 4.35Å; F93-K97 HydrophobicContact CE2-CG 4.21Å; F93-K97 HydrophobicContact CZ-CD 3.75Å; F93-K97 HydrophobicContact CZ-CG 4.11Å; F93-K97 WeakPolarHBondContact O-CG 3.08Å; F93-K97 PolarHBondContact O-N 2.9Å; G94-K97 PolarHBondContact O-N 2.73Å; L95-K97 VanDerWaalsContact C-N 3.32Å; L95-K97 PolarHBondContact O-N 3.1Å; K97-L99 VanDerWaalsContact C-N 3.25Å; K97-L99 PolarHBondContact O-N 2.7Å; K97-Q100 PolarHBondContact O-N 2.88Å; K97-Q101 WeakPolarHBondContact O-CG 3.46Å; K97-Q101 PolarHBondContact O-N 2.83Å; K97-L108 HydrophobicContact CB-CD1 3.65Å; K97-L108 HydrophobicContact CD-CD1 3.81Å; K97-L108 HydrophobicContact CG-CD1 3.51Å; K97-L113 HydrophobicContact CD-CD2 4.31Å; K97-A116 HydrophobicContact CG-CB 3.82Å
98K85.8Confident81.3Confident157 Ų15780.1 Ų80.168%0.68340%0.402SS*.Hα-helixtrans-59-34.9180-170176.9-177.9179.40113G94 L95 Q100G94-K98 PolarHBondContact O-N 3.2Å; L95-K98 PolarHBondContact O-N 3.13Å; K98-Q100 PolarHBondContact O-N 3.11Å
99L87.8Confident81.3Confident122 Ų12281.9 Ų81.964%0.63941%0.413SS*.THydrogen-bonded Turntrans-68.5-21.1176-73.2171.2000113.7L95 K97 L119L95-L99 HydrophobicContact CG-CD1 4.35Å; L95-L99 WeakPolarHBondContact O-CG 3.49Å; L95-L99 PolarHBondContact O-N 2.96Å; K97-L99 VanDerWaalsContact C-N 3.25Å; K97-L99 PolarHBondContact O-N 2.7Å; L99-L119 HydrophobicContact CD1-CD1 4.22Å
100Q82.5Confident81.3Confident44 Ų4485.5 Ų85.521%0.20643%0.425CS..THydrogen-bonded Turntrans-105.1-22.1-175.7-67.7-178.877.300113.2G96 K97 K98 L108 Q112G96-Q100 WeakPolarHBondContact O-CG 3.43Å; G96-Q100 PolarHBondContact O-NE2 3.06Å; K97-Q100 PolarHBondContact O-N 2.88Å; K98-Q100 PolarHBondContact O-N 3.11Å; Q100-L108 HydrophobicContact CB-CD2 3.78Å; Q100-Q112 VanDerWaalsContact CD-O 3.26Å; Q100-Q112 PolarHBondContact NE2-O 2.95Å; Q100-Q112 PolarHBondContact OE1-O 3.36Å
101Q81.9Confident81.4Confident66 Ų6684.3 Ų84.331%0.30843%0.429SS..  trans-72.8130.3173.1-71.3179.6-54.300110.4K97 D106 L108K97-Q101 WeakPolarHBondContact O-CG 3.46Å; K97-Q101 PolarHBondContact O-N 2.83Å; Q101-D106 PolarHBondContact NE2-O 3.43Å; Q101-L108 HydrophobicContact CG-CD1 4.07Å; Q101-L108 HydrophobicContact CG-CD2 3.86Å; Q101-L108 HydrophobicContact CG-CG 3.98Å
102R74.4Confident81.4Confident237 Ų23780.8 Ų80.889%0.89442%0.415SS*.SBendtrans-87.1-27.7167.9-69.2-176.6174-178.6-1.5112
103T71.8Confident81.4Confident85 Ų8581.5 Ų81.552%0.52142%0.418SS..SBendtrans-137.5150.6-178.1-7.10000109.4D105 D106T103-D105 PolarHBondContact O-N 2.82Å; T103-D106 VanDerWaalsContact O-CB 3.28Å; T103-D106 WeakPolarHBondContact O-CB 3.38Å; T103-D106 PolarHBondContact O-N 3.33Å; T103-D106 VanDerWaalsContact O-N 3.16Å
104P67.8Low81.6Confident109 Ų10984 Ų8471%0.70843%0.429SS*.THydrogen-bonded Turntrans-59.8-29-176.2-25.936.1000114.9
105D66.8Low81.9Confident152 Ų15284.4 Ų84.481%0.81343%0.429SS*.THydrogen-bonded Turntrans-93.87.3-178.2-58.1-51.5000113.7T103 I107T103-D105 PolarHBondContact O-N 2.82Å; D105-I107 PolarHBondContact O-N 3.43Å
106D74.1Confident81.9Confident64 Ų6481.4 Ų81.434%0.34241%0.414SS..  trans-72.2121.5-174.8-153.110.1000110.8Q101 T103 L108Q101-D106 PolarHBondContact NE2-O 3.43Å; T103-D106 VanDerWaalsContact O-CB 3.28Å; T103-D106 WeakPolarHBondContact O-CB 3.38Å; T103-D106 PolarHBondContact O-N 3.33Å; T103-D106 VanDerWaalsContact O-N 3.16Å; D106-L108 PolarHBondContact O-N 3.43Å
107I75.4Confident82Confident153 Ų15381.3 Ų81.379%0.78541%0.413SS*.  trans-79.3107.4177.7-58.3174.6000107.7D105 T109D105-I107 PolarHBondContact O-N 3.43Å; I107-T109 PolarHBondContact O-N 2.92Å
108L79.5Confident82.3Confident19 Ų1981.3 Ų81.310%0.09941%0.414CS..  trans-65.3133.2-178.8-68.3163.2000111.6K97 Q100 Q101 D106 Q112 L113K97-L108 HydrophobicContact CB-CD1 3.65Å; K97-L108 HydrophobicContact CD-CD1 3.81Å; K97-L108 HydrophobicContact CG-CD1 3.51Å; Q100-L108 HydrophobicContact CB-CD2 3.78Å; Q101-L108 HydrophobicContact CG-CD1 4.07Å; Q101-L108 HydrophobicContact CG-CD2 3.86Å; Q101-L108 HydrophobicContact CG-CG 3.98Å; D106-L108 PolarHBondContact O-N 3.43Å; L108-Q112 HydrophobicContact CB-CB 4.25Å; L108-Q112 HydrophobicContact CD2-CB 3.91Å; L108-Q112 HydrophobicContact CD2-CG 4.45Å; L108-L113 HydrophobicContact CB-CD2 3.9Å; L108-L113 HydrophobicContact CB-CG 3.95Å; L108-L113 HydrophobicContact CD1-CD2 4.05Å
109T86.1Confident82.5Confident77 Ų7776.1 Ų76.147%0.47239%0.394SS..  trans-68.3159.2172.161.20000111.5I107 Q112 L113I107-T109 PolarHBondContact O-N 2.92Å; T109-Q112 WeakPolarHBondContact O-CA 3.48Å; T109-Q112 WeakPolarHBondContact O-CB 3.5Å; T109-Q112 PolarHBondContact O-N 3.31Å; T109-Q112 VanDerWaalsContact OG1-CD 3.26Å; T109-Q112 VanDerWaalsContact OG1-CG 3.3Å; T109-Q112 WeakPolarHBondContact OG1-CG 3.35Å; T109-Q112 PolarHBondContact OG1-OE1 3.1Å; T109-L113 PolarHBondContact O-N 2.95Å
110Y86.5Confident82.6Confident92 Ų9270.3 Ų70.336%0.36136%0.364SS..Hα-helixtrans-56.2-42179.3-60.4-62.1000114.5Q112 L113 F114 M188 W192 N195Y110-Q112 VanDerWaalsContact C-N 3.26Å; Y110-Q112 PolarHBondContact O-N 3.37Å; Y110-L113 HydrophobicContact CD1-CD1 4.3Å; Y110-L113 PolarHBondContact O-N 3.5Å; Y110-F114 WeakPolarHBondContact O-CB 3.48Å; Y110-F114 PolarHBondContact O-N 3.47Å; Y110-M188 HydrophobicContact CD1-CG 4.39Å; Y110-W192 HydrophobicContact CD1-CB 4.19Å; Y110-W192 HydrophobicContact CE1-CB 3.7Å; Y110-W192 HydrophobicContact CE1-CG 4.29Å; Y110-W192 AromaticContact CZ-CD1 3.73Å; Y110-N195 PolarHBondContact OH-ND2 2.98Å
111P87.1Confident82.9Confident94 Ų9468.2 Ų68.261%0.6135%0.354SS*.Hα-helixtrans-62.4-33.7173.8-23.735.6000112.9F114 A115P111-F114 WeakPolarHBondContact O-CB 3.25Å; P111-F114 PolarHBondContact O-N 2.85Å; P111-A115 PolarHBondContact O-N 2.86Å
112Q86.7Confident83.3Confident54 Ų5468.5 Ų68.525%0.25236%0.36SS..Hα-helixtrans-71.1-41.3176.2-71.3168.6-41.900111.7Q100 L108 T109 Y110 F114 A115 A116Q100-Q112 VanDerWaalsContact CD-O 3.26Å; Q100-Q112 PolarHBondContact NE2-O 2.95Å; Q100-Q112 PolarHBondContact OE1-O 3.36Å; L108-Q112 HydrophobicContact CB-CB 4.25Å; L108-Q112 HydrophobicContact CD2-CB 3.91Å; L108-Q112 HydrophobicContact CD2-CG 4.45Å; T109-Q112 WeakPolarHBondContact O-CA 3.48Å; T109-Q112 WeakPolarHBondContact O-CB 3.5Å; T109-Q112 PolarHBondContact O-N 3.31Å; T109-Q112 VanDerWaalsContact OG1-CD 3.26Å; T109-Q112 VanDerWaalsContact OG1-CG 3.3Å; T109-Q112 WeakPolarHBondContact OG1-CG 3.35Å; T109-Q112 PolarHBondContact OG1-OE1 3.1Å; Y110-Q112 VanDerWaalsContact C-N 3.26Å; Y110-Q112 PolarHBondContact O-N 3.37Å; Q112-F114 VanDerWaalsContact C-N 3.27Å; Q112-F114 PolarHBondContact O-N 3.39Å; Q112-A115 PolarHBondContact O-N 3.26Å; Q112-A116 WeakPolarHBondContact O-CB 3.37Å; Q112-A116 PolarHBondContact O-N 3.36Å
113L86.8Confident83.9Confident15 Ų1560.4 Ų60.48%0.07933%0.331CS..Hα-helixtrans-61.8-37.6172.8-68.4169.8000111.8F93 K97 L108 T109 Y110 A116 G117 E191F93-L113 HydrophobicContact CZ-CD2 4.12Å; K97-L113 HydrophobicContact CD-CD2 4.31Å; L108-L113 HydrophobicContact CB-CD2 3.9Å; L108-L113 HydrophobicContact CB-CG 3.95Å; L108-L113 HydrophobicContact CD1-CD2 4.05Å; T109-L113 PolarHBondContact O-N 2.95Å; Y110-L113 HydrophobicContact CD1-CD1 4.3Å; Y110-L113 PolarHBondContact O-N 3.5Å; L113-A116 PolarHBondContact O-N 3.09Å; L113-G117 PolarHBondContact O-N 2.86Å; L113-E191 HydrophobicContact CD1-CB 3.76Å; L113-E191 HydrophobicContact CD1-CG 4.02Å; L113-E191 HydrophobicContact CD2-CG 4.36Å
114F89.9Confident84.6Confident60 Ų6057 Ų5726%0.26331%0.311SS..Hα-helixtrans-60.8-49.6172.3-178.7-94.3000111.4Y110 P111 Q112 A116 G117 M118 G184 M185 M188Y110-F114 WeakPolarHBondContact O-CB 3.48Å; Y110-F114 PolarHBondContact O-N 3.47Å; P111-F114 WeakPolarHBondContact O-CB 3.25Å; P111-F114 PolarHBondContact O-N 2.85Å; Q112-F114 VanDerWaalsContact C-N 3.27Å; Q112-F114 PolarHBondContact O-N 3.39Å; F114-A116 VanDerWaalsContact C-N 3.29Å; F114-A116 PolarHBondContact O-N 3.12Å; F114-G117 CarbonylContact O-C 3.59Å; F114-G117 PolarHBondContact O-N 3.37Å; F114-G117 VanDerWaalsContact O-N 3.16Å; F114-M118 HydrophobicContact CD1-CG 4.18Å; F114-M118 HydrophobicContact CD1-SD 3.77Å; F114-M118 HydrophobicContact CE1-CG 3.88Å; F114-M118 HydrophobicContact CE1-SD 3.3Å; F114-M118 WeakPolarHBondContact CE1-SD 3.48Å; F114-M118 HydrophobicContact CZ-CG 4.28Å; F114-M118 HydrophobicContact CZ-SD 4.11Å; F114-M118 WeakPolarHBondContact O-CG 3.47Å; F114-M118 PolarHBondContact O-N 3.17Å; F114-G184 WeakPolarHBondContact CD2-O 3.34Å; F114-G184 VanDerWaalsContact O-CA 3.26Å; F114-G184 WeakPolarHBondContact O-CA 3.17Å; F114-M185 HydrophobicContact CE2-CB 4.29Å; F114-M188 HydrophobicContact CB-CB 4.15Å; F114-M188 HydrophobicContact CB-CG 4.45Å; F114-M188 HydrophobicContact CB-SD 3.91Å; F114-M188 HydrophobicContact CD2-CB 4.44Å; F114-M188 HydrophobicContact CD2-CE 4.27Å; F114-M188 HydrophobicContact CD2-SD 4.27Å; F114-M188 HydrophobicContact CG-SD 4.45Å
115A89.4Confident85.6Confident42 Ų4251.9 Ų51.935%0.34728%0.277SS..Hα-helixtrans-62.5-34.9176.700000112.7P111 Q112 M118 L119P111-A115 PolarHBondContact O-N 2.86Å; Q112-A115 PolarHBondContact O-N 3.26Å; A115-M118 WeakPolarHBondContact O-CB 3.28Å; A115-M118 PolarHBondContact O-N 3.26Å; A115-L119 PolarHBondContact O-N 2.97Å
116A87.9Confident86.5Confident0 Ų046.8 Ų46.80%026%0.256CS..Hα-helixtrans-67.1-41.8174.500000111F93 G96 K97 Q112 L113 F114 M118 L119 S120F93-A116 HydrophobicContact CD2-CB 3.82Å; F93-A116 HydrophobicContact CE2-CB 3.71Å; G96-A116 VanDerWaalsContact C-CB 3.5Å; K97-A116 HydrophobicContact CG-CB 3.82Å; Q112-A116 WeakPolarHBondContact O-CB 3.37Å; Q112-A116 PolarHBondContact O-N 3.36Å; L113-A116 PolarHBondContact O-N 3.09Å; F114-A116 VanDerWaalsContact C-N 3.29Å; F114-A116 PolarHBondContact O-N 3.12Å; A116-M118 VanDerWaalsContact C-N 3.33Å; A116-L119 WeakPolarHBondContact O-CB 2.9Å; A116-L119 PolarHBondContact O-N 3.39Å; A116-S120 PolarHBondContact O-N 3.38Å
117G88.6Confident87Confident0 Ų047.6 Ų47.60%026%0.26CS..Hα-helixtrans-66.1-32.8175.300000113L113 F114 L119 S120 G121 S183L113-G117 PolarHBondContact O-N 2.86Å; F114-G117 CarbonylContact O-C 3.59Å; F114-G117 PolarHBondContact O-N 3.37Å; F114-G117 VanDerWaalsContact O-N 3.16Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 3.39Å; G117-S120 VanDerWaalsContact O-CB 3.26Å; G117-S120 WeakPolarHBondContact O-CB 3.35Å; G117-S120 PolarHBondContact O-N 2.88Å; G117-G121 PolarHBondContact O-N 2.89Å; G117-S183 CarbonylContact O-C 3.6Å; G117-S183 WeakPolarHBondContact O-CB 3.38Å
118M91.1Very high87.3Confident65 Ų6542.7 Ų42.732%0.3223%0.234SC..Hα-helixtrans-60.5-43.5171.7-74.7-178.878.800111.5F114 A115 A116 S120 G121 V122 V180F114-M118 HydrophobicContact CD1-CG 4.18Å; F114-M118 HydrophobicContact CD1-SD 3.77Å; F114-M118 HydrophobicContact CE1-CG 3.88Å; F114-M118 HydrophobicContact CE1-SD 3.3Å; F114-M118 WeakPolarHBondContact CE1-SD 3.48Å; F114-M118 HydrophobicContact CZ-CG 4.28Å; F114-M118 HydrophobicContact CZ-SD 4.11Å; F114-M118 WeakPolarHBondContact O-CG 3.47Å; F114-M118 PolarHBondContact O-N 3.17Å; A115-M118 WeakPolarHBondContact O-CB 3.28Å; A115-M118 PolarHBondContact O-N 3.26Å; A116-M118 VanDerWaalsContact C-N 3.33Å; M118-S120 VanDerWaalsContact C-N 3.32Å; M118-S120 PolarHBondContact O-N 3.41Å; M118-G121 WeakPolarHBondContact O-CA 3.41Å; M118-G121 PolarHBondContact O-N 3.13Å; M118-G121 VanDerWaalsContact O-N 3.08Å; M118-V122 PolarHBondContact O-N 3.07Å; M118-V180 HydrophobicContact CB-CG1 3.53Å; M118-V180 HydrophobicContact CE-CG1 3.4Å; M118-V180 VanDerWaalsContact CE-CG1 3.4Å; M118-V180 HydrophobicContact CG-CG1 3.74Å; M118-V180 HydrophobicContact SD-CG1 4.4Å
119L90.9Very high87.5Confident49 Ų4942 Ų4226%0.25723%0.231SC..Hα-helixtrans-61-42.9176.7-158.4107.9000111.3G92 L95 L99 A115 A116 G117 G121 V122 F123G92-L119 WeakPolarHBondContact O-CD2 3.31Å; L95-L119 HydrophobicContact CB-CD2 3.97Å; L95-L119 HydrophobicContact CD2-CD2 4.08Å; L95-L119 HydrophobicContact CG-CD2 4.03Å; L99-L119 HydrophobicContact CD1-CD1 4.22Å; A115-L119 PolarHBondContact O-N 2.97Å; A116-L119 WeakPolarHBondContact O-CB 2.9Å; A116-L119 PolarHBondContact O-N 3.39Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 3.39Å; L119-G121 VanDerWaalsContact C-N 3.26Å; L119-G121 PolarHBondContact O-N 3.47Å; L119-V122 WeakPolarHBondContact O-CB 3.37Å; L119-V122 PolarHBondContact O-N 2.86Å; L119-V122 VanDerWaalsContact O-N 3.09Å; L119-F123 HydrophobicContact CD2-CD2 4.05Å; L119-F123 HydrophobicContact CD2-CE2 3.56Å; L119-F123 HydrophobicContact CG-CD2 4.26Å; L119-F123 HydrophobicContact CG-CE2 3.97Å; L119-F123 VanDerWaalsContact O-CD2 3.31Å; L119-F123 WeakPolarHBondContact O-CD2 3.49Å; L119-F123 PolarHBondContact O-N 3.43Å
120S89.6Confident87.4Confident0 Ų039.4 Ų39.40%022%0.216CC..Hα-helixtrans-54-42.5171.9-176.50000112.8C89 A116 G117 M118 V122 F123 T124 F187C89-S120 VanDerWaalsContact C-OG 3.29Å; C89-S120 WeakPolarHBondContact CA-OG 3.19Å; C89-S120 PolarHBondContact O-OG 2.99Å; C89-S120 PolarHBondContact SG-OG 3.37Å; A116-S120 PolarHBondContact O-N 3.38Å; G117-S120 VanDerWaalsContact O-CB 3.26Å; G117-S120 WeakPolarHBondContact O-CB 3.35Å; G117-S120 PolarHBondContact O-N 2.88Å; M118-S120 VanDerWaalsContact C-N 3.32Å; M118-S120 PolarHBondContact O-N 3.41Å; S120-V122 VanDerWaalsContact C-N 3.33Å; S120-V122 PolarHBondContact O-N 3.05Å; S120-F123 PolarHBondContact O-N 3.2Å; S120-T124 WeakPolarHBondContact O-CB 3.5Å; S120-T124 PolarHBondContact O-N 2.89Å; S120-T124 PolarHBondContact O-OG1 3.26Å; S120-F187 WeakPolarHBondContact OG-CE2 3.5Å
121G87.7Confident87.2Confident0 Ų037 Ų370%022%0.219CC..Hα-helixtrans-59.9-4017600000112.8G117 M118 L119 T124 T125 S183G117-G121 PolarHBondContact O-N 2.89Å; M118-G121 WeakPolarHBondContact O-CA 3.41Å; M118-G121 PolarHBondContact O-N 3.13Å; M118-G121 VanDerWaalsContact O-N 3.08Å; L119-G121 VanDerWaalsContact C-N 3.26Å; L119-G121 PolarHBondContact O-N 3.47Å; G121-T124 PolarHBondContact O-N 3.39Å; G121-T125 VanDerWaalsContact O-CB 3.29Å; G121-T125 WeakPolarHBondContact O-CB 3.45Å; G121-T125 PolarHBondContact O-N 3.46Å; G121-T125 PolarHBondContact O-OG1 2.54Å; G121-S183 WeakPolarHBondContact CA-OG 3.41Å
122V90.6Very high86.7Confident71 Ų7134.8 Ų34.843%0.4320%0.2SC..Hα-helixtrans-61.9-50.2177.4178.80000111.2M118 L119 S120 T124 T125 A126 L176 V180M118-V122 PolarHBondContact O-N 3.07Å; L119-V122 WeakPolarHBondContact O-CB 3.37Å; L119-V122 PolarHBondContact O-N 2.86Å; L119-V122 VanDerWaalsContact O-N 3.09Å; S120-V122 VanDerWaalsContact C-N 3.33Å; S120-V122 PolarHBondContact O-N 3.05Å; V122-T124 PolarHBondContact O-N 2.86Å; V122-T125 PolarHBondContact O-N 3.08Å; V122-A126 PolarHBondContact O-N 2.83Å; V122-A126 VanDerWaalsContact O-N 3.16Å; V122-L176 HydrophobicContact CB-CD2 4.38Å; V122-L176 HydrophobicContact CG1-CD2 4.35Å; V122-L176 HydrophobicContact CG2-CD2 4.29Å; V122-V180 HydrophobicContact CG2-CG2 3.68Å
123F88.3Confident86.4Confident68 Ų6834.5 Ų34.530%0.29820%0.197SC..Hα-helixtrans-62.8-43.3-180-81.5-77.5000112.1V88 F91 L95 L119 S120 T125 A126V88-F123 HydrophobicContact CG1-CB 3.69Å; V88-F123 HydrophobicContact CG1-CD1 4.48Å; F91-F123 HydrophobicContact CD1-CD1 4.44Å; F91-F123 HydrophobicContact CD1-CE1 4.42Å; F91-F123 HydrophobicContact CE1-CD1 4.49Å; F91-F123 HydrophobicContact CE1-CE1 4.04Å; F91-F123 HydrophobicContact CE1-CZ 4.24Å; L95-F123 HydrophobicContact CD2-CE2 4.14Å; L95-F123 HydrophobicContact CD2-CZ 4.05Å; L119-F123 HydrophobicContact CD2-CD2 4.05Å; L119-F123 HydrophobicContact CD2-CE2 3.56Å; L119-F123 HydrophobicContact CG-CD2 4.26Å; L119-F123 HydrophobicContact CG-CE2 3.97Å; L119-F123 VanDerWaalsContact O-CD2 3.31Å; L119-F123 WeakPolarHBondContact O-CD2 3.49Å; L119-F123 PolarHBondContact O-N 3.43Å; S120-F123 PolarHBondContact O-N 3.2Å; F123-T125 VanDerWaalsContact C-N 3.34Å; F123-T125 PolarHBondContact O-N 3.34Å; F123-A126 WeakPolarHBondContact O-CB 3.33Å; F123-A126 PolarHBondContact O-N 3.14Å
124T86.5Confident86.2Confident14 Ų1434.9 Ų34.99%0.08620%0.199CC..Hα-helixtrans-64.2-41.5177.9-50.60000111.1M85 C89 S120 G121 V122 A126 I127 M128M85-T124 HydrophobicContact CG-CG2 3.65Å; M85-T124 HydrophobicContact SD-CG2 4.4Å; C89-T124 WeakPolarHBondContact CA-OG1 3.45Å; C89-T124 VanDerWaalsContact CB-OG1 3.31Å; C89-T124 WeakPolarHBondContact CB-OG1 3.42Å; S120-T124 WeakPolarHBondContact O-CB 3.5Å; S120-T124 PolarHBondContact O-N 2.89Å; S120-T124 PolarHBondContact O-OG1 3.26Å; G121-T124 PolarHBondContact O-N 3.39Å; V122-T124 PolarHBondContact O-N 2.86Å; T124-A126 VanDerWaalsContact C-N 3.28Å; T124-A126 PolarHBondContact O-N 2.9Å; T124-I127 PolarHBondContact O-N 3.5Å; T124-I127 VanDerWaalsContact O-N 3.15Å; T124-M128 HydrophobicContact CG2-CG 4.27Å; T124-M128 HydrophobicContact CG2-SD 3.76Å; T124-M128 PolarHBondContact O-N 2.98Å
125T87.2Confident85.6Confident0 Ų037.6 Ų37.60%021%0.21CC..Hα-helixtrans-62.2-34.4178.5-58.10000112.2G121 V122 F123 I127 M128 A129 T172 T175 L176 D179G121-T125 VanDerWaalsContact O-CB 3.29Å; G121-T125 WeakPolarHBondContact O-CB 3.45Å; G121-T125 PolarHBondContact O-N 3.46Å; G121-T125 PolarHBondContact O-OG1 2.54Å; V122-T125 PolarHBondContact O-N 3.08Å; F123-T125 VanDerWaalsContact C-N 3.34Å; F123-T125 PolarHBondContact O-N 3.34Å; T125-I127 PolarHBondContact O-N 3.11Å; T125-M128 PolarHBondContact O-N 2.89Å; T125-A129 HydrophobicContact CG2-CB 4.24Å; T125-A129 WeakPolarHBondContact O-CB 3.14Å; T125-A129 PolarHBondContact O-N 3.36Å; T125-T172 HydrophobicContact CG2-CG2 4.08Å; T125-T175 HydrophobicContact CG2-CG2 3.59Å; T125-L176 HydrophobicContact CG2-CD2 3.66Å; T125-L176 HydrophobicContact CG2-CG 3.8Å; T125-D179 WeakPolarHBondContact OG1-CB 3.43Å; T125-D179 PolarHBondContact OG1-OD2 3.39Å
126A86.4Confident84.7Confident46 Ų4637.7 Ų37.738%0.3821%0.208SC..Hα-helixtrans-60.4-29.2178.300000113.2V122 F123 T124 Y169V122-A126 PolarHBondContact O-N 2.83Å; V122-A126 VanDerWaalsContact O-N 3.16Å; F123-A126 WeakPolarHBondContact O-CB 3.33Å; F123-A126 PolarHBondContact O-N 3.14Å; T124-A126 VanDerWaalsContact C-N 3.28Å; T124-A126 PolarHBondContact O-N 2.9Å; A126-Y169 VanDerWaalsContact O-CE1 3.31Å; A126-Y169 WeakPolarHBondContact O-CE1 3Å; A126-Y169 PolarHBondContact O-OH 2.84Å
127I84.2Confident84.1Confident80 Ų8039.4 Ų39.441%0.4122%0.217SC..Hα-helixtrans-89.2-39.7176.2-64.1-179.1000111.1V88 T124 T125V88-I127 HydrophobicContact CB-CD1 3.74Å; V88-I127 HydrophobicContact CG1-CD1 3.81Å; V88-I127 HydrophobicContact CG2-CD1 3.56Å; T124-I127 PolarHBondContact O-N 3.5Å; T124-I127 VanDerWaalsContact O-N 3.15Å; T125-I127 PolarHBondContact O-N 3.11Å
128M82.6Confident83.5Confident51 Ų5141.4 Ų41.425%0.25123%0.227SC..Hα-helixtrans-75.4-35.6-175.7-72.7-172.767.300113.7M85 T124 T125 G131 E132M85-M128 HydrophobicContact CE-CE 4.15Å; M85-M128 HydrophobicContact CE-CG 3.51Å; M85-M128 HydrophobicContact CE-SD 3.71Å; M85-M128 HydrophobicContact CG-CG 4.36Å; M85-M128 HydrophobicContact CG-SD 4.26Å; M85-M128 HydrophobicContact SD-CE 4.33Å; M85-M128 HydrophobicContact SD-CG 4.03Å; M85-M128 HydrophobicContact SD-SD 3.52Å; T124-M128 HydrophobicContact CG2-CG 4.27Å; T124-M128 HydrophobicContact CG2-SD 3.76Å; T124-M128 PolarHBondContact O-N 2.98Å; T125-M128 PolarHBondContact O-N 2.89Å; M128-G131 PolarHBondContact O-N 2.96Å; M128-E132 PolarHBondContact O-N 2.99Å
129A83.6Confident82.2Confident5 Ų540.6 Ų40.64%0.04122%0.223CC..Hα-helixtrans-56.9-44.7-171.700000114T125 G131 E132 R133 Y169 T172T125-A129 HydrophobicContact CG2-CB 4.24Å; T125-A129 WeakPolarHBondContact O-CB 3.14Å; T125-A129 PolarHBondContact O-N 3.36Å; A129-G131 PolarHBondContact O-N 2.99Å; A129-E132 PolarHBondContact O-N 3.36Å; A129-R133 WeakPolarHBondContact O-CB 3.44Å; A129-R133 PolarHBondContact O-N 3.42Å; A129-Y169 HydrophobicContact CB-CD1 4.32Å; A129-Y169 HydrophobicContact CB-CE1 4.49Å; A129-T172 HydrophobicContact CB-CG2 4.1Å
130P83.6Confident81Confident22 Ų2242.4 Ų42.414%0.14323%0.232CC..Hα-helixtrans-56.9-47172.8-27.136.1000112.7R133 I134 I168 Y169P130-R133 PolarHBondContact O-N 3.4Å; P130-I134 VanDerWaalsContact O-CD1 3.23Å; P130-I134 WeakPolarHBondContact O-CD1 3.22Å; P130-I134 WeakPolarHBondContact O-CG1 3.29Å; P130-I134 PolarHBondContact O-N 3.32Å; P130-I168 HydrophobicContact CB-CG2 3.57Å; P130-I168 HydrophobicContact CG-CG2 3.91Å; P130-Y169 HydrophobicContact CG-CD1 4.43Å; P130-Y169 HydrophobicContact CG-CE1 3.77Å; P130-Y169 HydrophobicContact CG-CE2 3.96Å
131G81.8Confident80.1Confident41 Ų4143.8 Ų43.842%0.42324%0.238SC..Hα-helixtrans-64.3-45-178.300000112.7M128 A129 R133 I134 K135M128-G131 PolarHBondContact O-N 2.96Å; A129-G131 PolarHBondContact O-N 2.99Å; G131-R133 VanDerWaalsContact C-N 3.3Å; G131-R133 PolarHBondContact O-N 2.94Å; G131-I134 PolarHBondContact O-N 3.02Å; G131-K135 VanDerWaalsContact O-CB 3.31Å; G131-K135 WeakPolarHBondContact O-CB 3.37Å; G131-K135 PolarHBondContact O-N 2.83Å
132E77.9Confident79Confident47 Ų4745.8 Ų45.822%0.2226%0.255CS..Hα-helixtrans-59.6-42.3174.6-71.8-165.1154.700111.6M128 A129 K135 C136 T175 R178 K234M128-E132 PolarHBondContact O-N 2.99Å; A129-E132 PolarHBondContact O-N 3.36Å; E132-K135 PolarHBondContact O-N 3.34Å; E132-C136 WeakPolarHBondContact O-CB 3.49Å; E132-C136 PolarHBondContact O-N 3.38Å; E132-T175 VanDerWaalsContact OE2-CG2 3.23Å; E132-T175 WeakPolarHBondContact OE2-CG2 3.42Å; E132-T175 PolarHBondContact OE2-OG1 3.09Å; E132-R178 IonicContact OE1-CZ 3.85Å; E132-R178 IonicContact OE1-NH2 2.78Å; E132-R178 PolarHBondContact OE1-NH2 3.41Å; E132-K234 IonicContact OE2-NZ 2.67Å
133R80.4Confident77.5Confident49 Ų4944.4 Ų44.419%0.18525%0.248CC..Hα-helixtrans-65.1-50.2179.4-175.7-174176.7126.9-9.7112A129 P130 G131 K135 C136 L137 G167 I168 K170A129-R133 WeakPolarHBondContact O-CB 3.44Å; A129-R133 PolarHBondContact O-N 3.42Å; P130-R133 PolarHBondContact O-N 3.4Å; G131-R133 VanDerWaalsContact C-N 3.3Å; G131-R133 PolarHBondContact O-N 2.94Å; R133-K135 PolarHBondContact O-N 2.95Å; R133-C136 WeakPolarHBondContact O-CB 3.19Å; R133-C136 PolarHBondContact O-N 3.16Å; R133-C136 VanDerWaalsContact O-N 3.14Å; R133-L137 HydrophobicContact CG-CD1 4.27Å; R133-L137 PolarHBondContact O-N 3.48Å; R133-G167 PolarHBondContact NE-O 3.15Å; R133-G167 PolarHBondContact NH1-O 2.79Å; R133-G167 PolarHBondContact NH2-O 2.86Å; R133-G167 VanDerWaalsContact NH2-O 3.1Å; R133-I168 WeakPolarHBondContact CD-O 3.22Å; R133-K170 PolarHBondContact NH1-O 2.92Å
134I81.4Confident76.3Confident23 Ų2345 Ų4512%0.11826%0.257CS..Hα-helixtrans-58-44.3179.3-64.3153.1000109.4P130 G131 C136 L137 L138 P152 C155 V156P130-I134 VanDerWaalsContact O-CD1 3.23Å; P130-I134 WeakPolarHBondContact O-CD1 3.22Å; P130-I134 WeakPolarHBondContact O-CG1 3.29Å; P130-I134 PolarHBondContact O-N 3.32Å; G131-I134 PolarHBondContact O-N 3.02Å; I134-C136 PolarHBondContact O-N 3.26Å; I134-L137 PolarHBondContact O-N 2.92Å; I134-L138 HydrophobicContact CG2-CD1 3.98Å; I134-L138 HydrophobicContact CG2-CG 4.44Å; I134-L138 WeakPolarHBondContact O-CG 3.48Å; I134-L138 PolarHBondContact O-N 2.84Å; I134-P152 HydrophobicContact CG2-CB 3.94Å; I134-C155 HydrophobicContact CG2-CB 4.11Å; I134-V156 HydrophobicContact CD1-CG2 3.24Å; I134-V156 HydrophobicContact CG1-CG2 3.85Å
135K77.4Confident75.2Confident117 Ų11747 Ų4751%0.50928%0.281SS..Hα-helixtrans-56.9-51.2175.2-174.8177.6179.1179.70110.8G131 E132 R133 L137 L138 Q139G131-K135 VanDerWaalsContact O-CB 3.31Å; G131-K135 WeakPolarHBondContact O-CB 3.37Å; G131-K135 PolarHBondContact O-N 2.83Å; E132-K135 PolarHBondContact O-N 3.34Å; R133-K135 PolarHBondContact O-N 2.95Å; K135-L137 PolarHBondContact O-N 3.21Å; K135-L138 PolarHBondContact O-N 3.31Å; K135-Q139 HydrophobicContact CG-CG 4.39Å; K135-Q139 WeakPolarHBondContact O-CB 3.48Å; K135-Q139 WeakPolarHBondContact O-CG 3.27Å; K135-Q139 PolarHBondContact O-N 2.98Å
136C71.9Confident74.5Confident43 Ų4354 Ų5429%0.29131%0.314SS..Hα-helixtrans-57.9-45.7179.1-173.80000112.5E132 R133 I134 L138 Q139 I140E132-C136 WeakPolarHBondContact O-CB 3.49Å; E132-C136 PolarHBondContact O-N 3.38Å; R133-C136 WeakPolarHBondContact O-CB 3.19Å; R133-C136 PolarHBondContact O-N 3.16Å; R133-C136 VanDerWaalsContact O-N 3.14Å; I134-C136 PolarHBondContact O-N 3.26Å; C136-L138 PolarHBondContact O-N 3.35Å; C136-Q139 WeakPolarHBondContact O-CB 3.5Å; C136-Q139 PolarHBondContact O-N 3.23Å; C136-I140 WeakPolarHBondContact O-CG1 3.23Å; C136-I140 PolarHBondContact O-N 2.59Å
137L75.1Confident74Confident36 Ų3657.6 Ų57.619%0.18833%0.331CS..Hα-helixtrans-61.8-43.4178.5-71.1175.1000112.5R133 I134 K135 Q139 I140 Q141 Y149 L159R133-L137 HydrophobicContact CG-CD1 4.27Å; R133-L137 PolarHBondContact O-N 3.48Å; I134-L137 PolarHBondContact O-N 2.92Å; K135-L137 PolarHBondContact O-N 3.21Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 3.06Å; L137-I140 PolarHBondContact O-N 3.03Å; L137-Q141 PolarHBondContact O-N 2.93Å; L137-Y149 HydrophobicContact CB-CE2 4.04Å; L137-L159 HydrophobicContact CD1-CD1 4.32Å; L137-L159 HydrophobicContact CD1-CD2 4.27Å
138L74.6Confident73.7Confident42 Ų4258.5 Ų58.522%0.2233%0.332CS..Hα-helixtrans-65.6-35.9176-68.4173.4000112.1I134 K135 C136 A142 Y149 P152I134-L138 HydrophobicContact CG2-CD1 3.98Å; I134-L138 HydrophobicContact CG2-CG 4.44Å; I134-L138 WeakPolarHBondContact O-CG 3.48Å; I134-L138 PolarHBondContact O-N 2.84Å; K135-L138 PolarHBondContact O-N 3.31Å; C136-L138 PolarHBondContact O-N 3.35Å; L138-A142 WeakPolarHBondContact O-CB 3.37Å; L138-A142 PolarHBondContact O-N 3.02Å; L138-Y149 HydrophobicContact CD2-CD2 4.47Å; L138-P152 HydrophobicContact CD1-CB 4.1Å; L138-P152 HydrophobicContact CD1-CG 3.71Å
139Q64.2Low73.6Confident48 Ų4856.8 Ų56.822%0.22432%0.323CS..Hα-helixtrans-66.6-41.4175.9-72.3-172-28.100111.9T40 K135 C136 L137 A142 S143T40-Q139 HydrophobicContact CG2-CB 3.63Å; T40-Q139 HydrophobicContact CG2-CG 3.39Å; K135-Q139 HydrophobicContact CG-CG 4.39Å; K135-Q139 WeakPolarHBondContact O-CB 3.48Å; K135-Q139 WeakPolarHBondContact O-CG 3.27Å; K135-Q139 PolarHBondContact O-N 2.98Å; C136-Q139 WeakPolarHBondContact O-CB 3.5Å; C136-Q139 PolarHBondContact O-N 3.23Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 3.06Å; Q139-A142 PolarHBondContact O-N 2.89Å; Q139-S143 PolarHBondContact O-N 3.29Å; Q139-S143 VanDerWaalsContact O-N 3.16Å
140I65.9Low73.4Confident88 Ų8861 Ų6145%0.45136%0.358SS..Hα-helixtrans-62.4-48.8174.9-69165.6000110.2C136 L137 A142 S143 T144C136-I140 WeakPolarHBondContact O-CG1 3.23Å; C136-I140 PolarHBondContact O-N 2.59Å; L137-I140 PolarHBondContact O-N 3.03Å; I140-A142 VanDerWaalsContact C-N 3.3Å; I140-A142 PolarHBondContact O-N 3.38Å; I140-S143 WeakPolarHBondContact O-CA 3.34Å; I140-S143 WeakPolarHBondContact O-CB 3.46Å; I140-S143 PolarHBondContact O-N 3.37Å; I140-S143 PolarHBondContact O-OG 3.28Å; I140-T144 HydrophobicContact CG2-CG2 4.28Å; I140-T144 PolarHBondContact O-N 2.89Å; I140-T144 PolarHBondContact O-OG1 3.14Å
141Q71.1Confident73.2Confident28 Ų2860.8 Ų60.813%0.13136%0.359CS..Hα-helixtrans-57.6-41.4177.6151.1170-27.400112.5L137 S143 T144 G145 E146 Y149L137-Q141 PolarHBondContact O-N 2.93Å; Q141-S143 PolarHBondContact O-N 2.86Å; Q141-T144 PolarHBondContact O-N 3.45Å; Q141-T144 PolarHBondContact O-OG1 3.43Å; Q141-G145 PolarHBondContact O-N 3.48Å; Q141-E146 WeakPolarHBondContact CG-O 3.26Å; Q141-Y149 PolarHBondContact NE2-O 3.44Å; Q141-Y149 VanDerWaalsContact OE1-CD2 3.26Å
142A63.6Low73.1Confident43 Ų4362.7 Ų62.736%0.35536%0.364SS..Hα-helixtrans-62.2-31.6175.200000112.2L138 Q139 I140L138-A142 WeakPolarHBondContact O-CB 3.37Å; L138-A142 PolarHBondContact O-N 3.02Å; Q139-A142 PolarHBondContact O-N 2.89Å; I140-A142 VanDerWaalsContact C-N 3.3Å; I140-A142 PolarHBondContact O-N 3.38Å
143S59.6Low73.4Confident41 Ų4166.7 Ų66.729%0.28738%0.384SS..Hα-helixtrans-77.9-34.2177.480.40000113.9Q139 I140 Q141Q139-S143 PolarHBondContact O-N 3.29Å; Q139-S143 VanDerWaalsContact O-N 3.16Å; I140-S143 WeakPolarHBondContact O-CA 3.34Å; I140-S143 WeakPolarHBondContact O-CB 3.46Å; I140-S143 PolarHBondContact O-N 3.37Å; I140-S143 PolarHBondContact O-OG 3.28Å; Q141-S143 PolarHBondContact O-N 2.86Å
144T63.2Low73.6Confident80 Ų8066.8 Ų66.849%0.49139%0.389SS..Hα-helixtrans-84.8-22.2-179.259.20000113I140 Q141 E146I140-T144 HydrophobicContact CG2-CG2 4.28Å; I140-T144 PolarHBondContact O-N 2.89Å; I140-T144 PolarHBondContact O-OG1 3.14Å; Q141-T144 PolarHBondContact O-N 3.45Å; Q141-T144 PolarHBondContact O-OG1 3.43Å; T144-E146 PolarHBondContact O-N 2.99Å; T144-E146 PolarHBondContact OG1-N 3.46Å
145G64.5Low73.7Confident57 Ų5765.7 Ų65.759%0.58838%0.383SS*.  trans77.5-2.8-175.500000113.9Q141 V147Q141-G145 PolarHBondContact O-N 3.48Å; G145-V147 PolarHBondContact O-N 3.49Å
146E71.2Confident74.2Confident147 Ų14762.1 Ų62.169%0.68737%0.371SS*.  trans-85.6109.2176.5-68.9-176169.300110.4Q141 T144 K148Q141-E146 WeakPolarHBondContact CG-O 3.26Å; T144-E146 PolarHBondContact O-N 2.99Å; T144-E146 PolarHBondContact OG1-N 3.46Å; E146-K148 PolarHBondContact O-N 3.35Å
147V75.9Confident75Confident121 Ų12166.8 Ų66.873%0.73339%0.386SS*.  trans-78.589179.6-174.50000109.9G145G145-V147 PolarHBondContact O-N 3.49Å
148K78.1Confident75.6Confident99 Ų9967.5 Ų67.543%0.4339%0.389SS..  trans-84.9-35.8173.1-171.6176.3178.9-168.80112.5E146 Q158 E162E146-K148 PolarHBondContact O-N 3.35Å; K148-Q158 PolarHBondContact O-NE2 3.45Å; K148-Q158 PolarHBondContact O-OE1 2.69Å; K148-E162 WeakPolarHBondContact CE-OE1 3.17Å; K148-E162 IonicContact NZ-OE1 3.96Å; K148-E162 PolarHBondContact NZ-OE1 2.88Å; K148-E162 IonicContact NZ-OE2 3.81Å; K148-E162 PolarHBondContact NZ-OE2 3.32Å
149Y80.8Confident76.1Confident16 Ų1665.8 Ų65.86%0.06338%0.379CS..  trans-119.4126.9-175.7-49.3-65.5000110.6L137 L138 Q141 G151 C155 Q158L137-Y149 HydrophobicContact CB-CE2 4.04Å; L138-Y149 HydrophobicContact CD2-CD2 4.47Å; Q141-Y149 PolarHBondContact NE2-O 3.44Å; Q141-Y149 VanDerWaalsContact OE1-CD2 3.26Å; Y149-G151 PolarHBondContact O-N 2.87Å; Y149-C155 HydrophobicContact CD1-CB 3.85Å; Y149-C155 HydrophobicContact CD2-CB 4.38Å; Y149-C155 HydrophobicContact CE1-CB 4.42Å; Y149-C155 HydrophobicContact CG-CB 3.81Å; Y149-Q158 HydrophobicContact CD1-CB 4.39Å; Y149-Q158 HydrophobicContact CE1-CB 4.2Å
150A78.2Confident77.3Confident94 Ų9470.3 Ų70.378%0.77740%0.395SS*.SBendtrans-70.9-17.9176.100000112.8D154A150-D154 HydrophobicContact CB-CB 4.18Å; A150-D154 PolarHBondContact N-OD2 2.93Å
151G79.6Confident78.5Confident17 Ų1775.1 Ų75.118%0.17541%0.413CS..SBendtrans173.6-174176.700000113.1Y149 M153 D154 C155Y149-G151 PolarHBondContact O-N 2.87Å; G151-M153 PolarHBondContact O-N 3.14Å; G151-D154 PolarHBondContact O-N 2.99Å; G151-C155 WeakPolarHBondContact O-CB 3.35Å; G151-C155 PolarHBondContact O-N 2.91Å
152P80Confident79.2Confident81 Ų8178.8 Ų78.853%0.52643%0.43SS..Hα-helixtrans-58.7-42.3-177.4-22.631000113.9I134 L138 C155 V156I134-P152 HydrophobicContact CG2-CB 3.94Å; L138-P152 HydrophobicContact CD1-CB 4.1Å; L138-P152 HydrophobicContact CD1-CG 3.71Å; P152-C155 WeakPolarHBondContact O-CB 3.32Å; P152-C155 PolarHBondContact O-N 3.42Å; P152-V156 WeakPolarHBondContact O-CG2 3.26Å; P152-V156 PolarHBondContact O-N 3.02Å; P152-V156 VanDerWaalsContact O-N 3.08Å
153M84.3Confident79.9Confident131 Ų13180.1 Ų80.165%0.64544%0.437SS*.Hα-helixtrans-72.3-36-178.7-167.159.365.300112.3G151 V156 K157G151-M153 PolarHBondContact O-N 3.14Å; M153-V156 PolarHBondContact O-N 3.48Å; M153-K157 WeakPolarHBondContact O-CG 3.42Å; M153-K157 PolarHBondContact O-N 3.13Å
154D85.9Confident81.3Confident51 Ų5179.3 Ų79.327%0.27344%0.435SS..Hα-helixtrans-67.5-40.6174.3-176.345.4000111A150 G151 V156 K157 Q158A150-D154 HydrophobicContact CB-CB 4.18Å; A150-D154 PolarHBondContact N-OD2 2.93Å; G151-D154 PolarHBondContact O-N 2.99Å; D154-V156 VanDerWaalsContact C-N 3.32Å; D154-V156 PolarHBondContact O-N 3.39Å; D154-K157 PolarHBondContact O-N 3.36Å; D154-Q158 WeakPolarHBondContact O-CB 3.31Å; D154-Q158 WeakPolarHBondContact O-CG 2.94Å; D154-Q158 PolarHBondContact O-N 3.11Å; D154-Q158 PolarHBondContact OD1-NE2 3.32Å; D154-Q158 PolarHBondContact OD2-NE2 3.38Å
155C82.7Confident82.4Confident0 Ų080.2 Ų80.20%044%0.436CS..Hα-helixtrans-55.9-45.5171.8-171.60000111.9I134 Y149 G151 P152 L159I134-C155 HydrophobicContact CG2-CB 4.11Å; Y149-C155 HydrophobicContact CD1-CB 3.85Å; Y149-C155 HydrophobicContact CD2-CB 4.38Å; Y149-C155 HydrophobicContact CE1-CB 4.42Å; Y149-C155 HydrophobicContact CG-CB 3.81Å; G151-C155 WeakPolarHBondContact O-CB 3.35Å; G151-C155 PolarHBondContact O-N 2.91Å; P152-C155 WeakPolarHBondContact O-CB 3.32Å; P152-C155 PolarHBondContact O-N 3.42Å; C155-L159 WeakPolarHBondContact O-CB 3.3Å; C155-L159 PolarHBondContact O-N 3.42Å
156V87.2Confident83.1Confident41 Ų4187.9 Ų87.925%0.24845%0.447CS..Hα-helixtrans-60.6-48.9175.4173.60000111.7I134 P152 M153 D154 L159 Y160 I168I134-V156 HydrophobicContact CD1-CG2 3.24Å; I134-V156 HydrophobicContact CG1-CG2 3.85Å; P152-V156 WeakPolarHBondContact O-CG2 3.26Å; P152-V156 PolarHBondContact O-N 3.02Å; P152-V156 VanDerWaalsContact O-N 3.08Å; M153-V156 PolarHBondContact O-N 3.48Å; D154-V156 VanDerWaalsContact C-N 3.32Å; D154-V156 PolarHBondContact O-N 3.39Å; V156-L159 PolarHBondContact O-N 3.44Å; V156-Y160 VanDerWaalsContact O-CB 3.29Å; V156-Y160 WeakPolarHBondContact O-CB 3.44Å; V156-Y160 PolarHBondContact O-N 3.3Å; V156-I168 HydrophobicContact CG1-CD1 4.33Å
157K89.6Confident83.4Confident141 Ų14181 Ų8161%0.61342%0.416SS*.Hα-helixtrans-61.5-48.1-178-74177.7-179.7-176.90111.9M153 D154 Y160 K161M153-K157 WeakPolarHBondContact O-CG 3.42Å; M153-K157 PolarHBondContact O-N 3.13Å; D154-K157 PolarHBondContact O-N 3.36Å; K157-Y160 PolarHBondContact O-N 2.97Å; K157-K161 WeakPolarHBondContact O-CB 3.47Å; K157-K161 PolarHBondContact O-N 3.32Å
158Q87.3Confident83.8Confident52 Ų5276 Ų7624%0.24339%0.385CS..Hα-helixtrans-63.7-45.3178.5-69.4-172.129.800111.2K148 Y149 D154 Y160 K161 E162K148-Q158 PolarHBondContact O-NE2 3.45Å; K148-Q158 PolarHBondContact O-OE1 2.69Å; Y149-Q158 HydrophobicContact CD1-CB 4.39Å; Y149-Q158 HydrophobicContact CE1-CB 4.2Å; D154-Q158 WeakPolarHBondContact O-CB 3.31Å; D154-Q158 WeakPolarHBondContact O-CG 2.94Å; D154-Q158 PolarHBondContact O-N 3.11Å; D154-Q158 PolarHBondContact OD1-NE2 3.32Å; D154-Q158 PolarHBondContact OD2-NE2 3.38Å; Q158-Y160 VanDerWaalsContact C-N 3.31Å; Q158-Y160 PolarHBondContact O-N 2.81Å; Q158-K161 PolarHBondContact O-N 2.92Å; Q158-K161 VanDerWaalsContact O-N 3.1Å; Q158-E162 WeakPolarHBondContact O-CG 3.47Å; Q158-E162 PolarHBondContact O-N 3.31Å
159L85.4Confident84Confident5 Ų575.4 Ų75.43%0.02638%0.38CS..Hα-helixtrans-64.9-37.2-179.3-165.571000112.3L137 C155 V156 S163 I168L137-L159 HydrophobicContact CD1-CD1 4.32Å; L137-L159 HydrophobicContact CD1-CD2 4.27Å; C155-L159 WeakPolarHBondContact O-CB 3.3Å; C155-L159 PolarHBondContact O-N 3.42Å; V156-L159 PolarHBondContact O-N 3.44Å; L159-S163 PolarHBondContact O-N 3.31Å; L159-I168 HydrophobicContact CD2-CB 4.4Å; L159-I168 HydrophobicContact CD2-CG1 4.01Å; L159-I168 HydrophobicContact CG-CG1 4.41Å
160Y89.8Confident83.6Confident143 Ų14382.2 Ų82.256%0.56141%0.41SS*.Hα-helixtrans-65.7-40.1172.8-171.7-99.9000111.7V156 K157 Q158 G164 I168V156-Y160 VanDerWaalsContact O-CB 3.29Å; V156-Y160 WeakPolarHBondContact O-CB 3.44Å; V156-Y160 PolarHBondContact O-N 3.3Å; K157-Y160 PolarHBondContact O-N 2.97Å; Q158-Y160 VanDerWaalsContact C-N 3.31Å; Q158-Y160 PolarHBondContact O-N 2.81Å; Y160-G164 WeakPolarHBondContact O-CA 3.24Å; Y160-G164 PolarHBondContact O-N 3.46Å; Y160-I168 HydrophobicContact CD2-CD1 4.04Å
161K90.3Very high83.3Confident190 Ų19079.4 Ų79.483%0.82639%0.39SS*.Hα-helixtrans-68.2-38177-168.4-179.8178.9-175.80112.7K157 Q158K157-K161 WeakPolarHBondContact O-CB 3.47Å; K157-K161 PolarHBondContact O-N 3.32Å; Q158-K161 PolarHBondContact O-N 2.92Å; Q158-K161 VanDerWaalsContact O-N 3.1Å
162E86.3Confident83.3Confident104 Ų10479.9 Ų79.949%0.48639%0.39SS..Hα-helixtrans-76.6-39.7-178.8-73.6179.317400113.3K148 Q158K148-E162 WeakPolarHBondContact CE-OE1 3.17Å; K148-E162 IonicContact NZ-OE1 3.96Å; K148-E162 PolarHBondContact NZ-OE1 2.88Å; K148-E162 IonicContact NZ-OE2 3.81Å; K148-E162 PolarHBondContact NZ-OE2 3.32Å; Q158-E162 WeakPolarHBondContact O-CG 3.47Å; Q158-E162 PolarHBondContact O-N 3.31Å
163S79.1Confident83.3Confident72 Ų7279.6 Ų79.650%0.50339%0.394SS..Hα-helixtrans-144.310.2-168-66.10000114.3L159 G167L159-S163 PolarHBondContact O-N 3.31Å; S163-G167 PolarHBondContact O-N 3.44Å
164G88.1Confident82.7Confident23 Ų2375 Ų7524%0.23737%0.373CS..Hα-helixtrans59.1-154.6-178.700000113.5Y160 R166 G167 I168Y160-G164 WeakPolarHBondContact O-CA 3.24Å; Y160-G164 PolarHBondContact O-N 3.46Å; G164-R166 VanDerWaalsContact C-N 3.26Å; G164-R166 PolarHBondContact O-N 2.85Å; G164-G167 WeakPolarHBondContact O-CA 3.41Å; G164-G167 PolarHBondContact O-N 2.85Å; G164-G167 VanDerWaalsContact O-N 3.1Å; G164-I168 PolarHBondContact O-N 3.08Å
165I85.3Confident82.5Confident100 Ų10073 Ų7351%0.51336%0.362SS..Hα-helixtrans-62.3-33.3178.7-159.575000112.3G167 I168 Y169I165-G167 VanDerWaalsContact C-N 3.25Å; I165-G167 PolarHBondContact O-N 3.01Å; I165-I168 HydrophobicContact CD1-CD1 4.48Å; I165-I168 PolarHBondContact O-N 3.3Å; I165-I168 VanDerWaalsContact O-N 3.11Å; I165-Y169 HydrophobicContact CD1-CD2 4.31Å; I165-Y169 HydrophobicContact CD1-CE2 4Å; I165-Y169 HydrophobicContact CG1-CD2 3.99Å; I165-Y169 HydrophobicContact CG1-CE2 4.08Å; I165-Y169 WeakPolarHBondContact O-CD2 3.43Å; I165-Y169 PolarHBondContact O-N 2.74Å
166R80.8Confident82.6Confident218 Ų21875.4 Ų75.482%0.82338%0.375SS*.Hα-helixtrans-64-34.6176.3-70.2-176.6177.3179.4-0.3111.3G164 Y169 K170G164-R166 VanDerWaalsContact C-N 3.26Å; G164-R166 PolarHBondContact O-N 2.85Å; R166-Y169 PolarHBondContact O-N 3.44Å; R166-K170 WeakPolarHBondContact O-CB 3.4Å; R166-K170 PolarHBondContact O-N 2.87Å
167G77.6Confident82.4Confident3 Ų378.2 Ų78.23%0.03139%0.386CS..Hα-helixtrans-53.6-56.8168.300000110.8R133 S163 G164 I165 Y169 K170R133-G167 PolarHBondContact NE-O 3.15Å; R133-G167 PolarHBondContact NH1-O 2.79Å; R133-G167 PolarHBondContact NH2-O 2.86Å; R133-G167 VanDerWaalsContact NH2-O 3.1Å; S163-G167 PolarHBondContact O-N 3.44Å; G164-G167 WeakPolarHBondContact O-CA 3.41Å; G164-G167 PolarHBondContact O-N 2.85Å; G164-G167 VanDerWaalsContact O-N 3.1Å; I165-G167 VanDerWaalsContact C-N 3.25Å; I165-G167 PolarHBondContact O-N 3.01Å; G167-Y169 VanDerWaalsContact C-N 3.32Å; G167-Y169 PolarHBondContact O-N 3.23Å; G167-K170 PolarHBondContact O-N 3.21Å
168I82.7Confident82.1Confident16 Ų1673 Ų738%0.08236%0.363CS..Hα-helixtrans-59.9-38.6-177.1-59.9172.6000112.7P130 R133 V156 L159 Y160 G164 I165P130-I168 HydrophobicContact CB-CG2 3.57Å; P130-I168 HydrophobicContact CG-CG2 3.91Å; R133-I168 WeakPolarHBondContact CD-O 3.22Å; V156-I168 HydrophobicContact CG1-CD1 4.33Å; L159-I168 HydrophobicContact CD2-CB 4.4Å; L159-I168 HydrophobicContact CD2-CG1 4.01Å; L159-I168 HydrophobicContact CG-CG1 4.41Å; Y160-I168 HydrophobicContact CD2-CD1 4.04Å; G164-I168 PolarHBondContact O-N 3.08Å; I165-I168 HydrophobicContact CD1-CD1 4.48Å; I165-I168 PolarHBondContact O-N 3.3Å; I165-I168 VanDerWaalsContact O-N 3.11Å
169Y82.3Confident82Confident86 Ų8671.3 Ų71.334%0.33736%0.355SS..Hα-helixtrans-951.9-177.3-76.3-91000115A126 A129 P130 I165 R166 G167 G171 T172A126-Y169 VanDerWaalsContact O-CE1 3.31Å; A126-Y169 WeakPolarHBondContact O-CE1 3Å; A126-Y169 PolarHBondContact O-OH 2.84Å; A129-Y169 HydrophobicContact CB-CD1 4.32Å; A129-Y169 HydrophobicContact CB-CE1 4.49Å; P130-Y169 HydrophobicContact CG-CD1 4.43Å; P130-Y169 HydrophobicContact CG-CE1 3.77Å; P130-Y169 HydrophobicContact CG-CE2 3.96Å; I165-Y169 HydrophobicContact CD1-CD2 4.31Å; I165-Y169 HydrophobicContact CD1-CE2 4Å; I165-Y169 HydrophobicContact CG1-CD2 3.99Å; I165-Y169 HydrophobicContact CG1-CE2 4.08Å; I165-Y169 WeakPolarHBondContact O-CD2 3.43Å; I165-Y169 PolarHBondContact O-N 2.74Å; R166-Y169 PolarHBondContact O-N 3.44Å; G167-Y169 VanDerWaalsContact C-N 3.32Å; G167-Y169 PolarHBondContact O-N 3.23Å; Y169-G171 PolarHBondContact O-N 3.41Å; Y169-T172 WeakPolarHBondContact CD1-OG1 3.33Å; Y169-T172 VanDerWaalsContact O-CB 3.26Å; Y169-T172 WeakPolarHBondContact O-CB 3.41Å; Y169-T172 PolarHBondContact O-N 3.43Å; Y169-T172 PolarHBondContact O-OG1 3.35Å
170K73.3Confident82.2Confident158 Ų15872 Ų7269%0.68736%0.36SS*.THydrogen-bonded Turntrans-63.2130.4176.1151.8-170.8-169.2-1780110.1R133 R166 G167R133-K170 PolarHBondContact NH1-O 2.92Å; R166-K170 WeakPolarHBondContact O-CB 3.4Å; R166-K170 PolarHBondContact O-N 2.87Å; G167-K170 PolarHBondContact O-N 3.21Å
171G71.1Confident82.2Confident35 Ų3567.1 Ų67.136%0.36135%0.346SS..THydrogen-bonded Turntrans96.8-6.5-17100000115.2Y169 A173 L174 T175Y169-G171 PolarHBondContact O-N 3.41Å; G171-A173 VanDerWaalsContact C-N 3.25Å; G171-A173 PolarHBondContact O-N 3.45Å; G171-L174 WeakPolarHBondContact O-CB 3.16Å; G171-L174 PolarHBondContact O-N 2.97Å; G171-T175 PolarHBondContact O-N 3.04Å
172T80.3Confident82.1Confident27 Ų2758.2 Ų58.217%0.16631%0.307CS..Hα-helixtrans-58.1-34.6179.6-600000113T125 A129 Y169 L174 T175 L176T125-T172 HydrophobicContact CG2-CG2 4.08Å; A129-T172 HydrophobicContact CB-CG2 4.1Å; Y169-T172 WeakPolarHBondContact CD1-OG1 3.33Å; Y169-T172 VanDerWaalsContact O-CB 3.26Å; Y169-T172 WeakPolarHBondContact O-CB 3.41Å; Y169-T172 PolarHBondContact O-N 3.43Å; Y169-T172 PolarHBondContact O-OG1 3.35Å; T172-L174 PolarHBondContact O-N 3.4Å; T172-T175 PolarHBondContact O-N 3.03Å; T172-T175 VanDerWaalsContact O-N 3.15Å; T172-L176 HydrophobicContact CG2-CD1 3.98Å; T172-L176 HydrophobicContact CG2-CG 4.11Å; T172-L176 WeakPolarHBondContact O-CB 3.49Å; T172-L176 WeakPolarHBondContact O-CG 3.44Å; T172-L176 PolarHBondContact O-N 3.28Å
173A79.1Confident82.1Confident75 Ų7554.2 Ų54.262%0.6229%0.291SS*.Hα-helixtrans-58-34.9175.700000112.5G171 M177G171-A173 VanDerWaalsContact C-N 3.25Å; G171-A173 PolarHBondContact O-N 3.45Å; A173-M177 PolarHBondContact O-N 2.93Å; A173-M177 VanDerWaalsContact O-N 3.07Å
174L73.5Confident82.6Confident36 Ų3650.8 Ų50.819%0.18827%0.267CS..Hα-helixtrans-72.7-40.6177.9-48.4-169.5000111.6G171 T172 M177 R178 K234 F249G171-L174 WeakPolarHBondContact O-CB 3.16Å; G171-L174 PolarHBondContact O-N 2.97Å; T172-L174 PolarHBondContact O-N 3.4Å; L174-M177 PolarHBondContact O-N 3.18Å; L174-R178 PolarHBondContact O-N 3.46Å; L174-K234 HydrophobicContact CB-CD 4.33Å; L174-F249 HydrophobicContact CB-CZ 4.4Å; L174-F249 HydrophobicContact CD1-CZ 4.07Å; L174-F249 HydrophobicContact CD2-CD2 4.5Å; L174-F249 HydrophobicContact CD2-CE2 3.19Å; L174-F249 HydrophobicContact CD2-CZ 3.28Å; L174-F249 HydrophobicContact CG-CE2 4.42Å; L174-F249 HydrophobicContact CG-CZ 4.1Å
175T80.3Confident82.8Confident7 Ų751.3 Ų51.34%0.04326%0.263CS..Hα-helixtrans-66.1-42.2175.7-62.40000110.4T125 E132 G171 T172 M177 R178 D179 K234T125-T175 HydrophobicContact CG2-CG2 3.59Å; E132-T175 VanDerWaalsContact OE2-CG2 3.23Å; E132-T175 WeakPolarHBondContact OE2-CG2 3.42Å; E132-T175 PolarHBondContact OE2-OG1 3.09Å; G171-T175 PolarHBondContact O-N 3.04Å; T172-T175 PolarHBondContact O-N 3.03Å; T172-T175 VanDerWaalsContact O-N 3.15Å; T175-M177 PolarHBondContact O-N 2.96Å; T175-R178 PolarHBondContact O-N 2.92Å; T175-D179 WeakPolarHBondContact CG2-OD2 3.15Å; T175-D179 WeakPolarHBondContact O-CB 3.48Å; T175-D179 VanDerWaalsContact O-CG 3.32Å; T175-D179 PolarHBondContact O-N 3.49Å; T175-K234 PolarHBondContact OG1-NZ 3.38Å
176L85.4Confident83Confident52 Ų5249.8 Ų49.827%0.27225%0.252SS..Hα-helixtrans-60.3-41.2174.9-74.2170.2000112.8V122 T125 T172 R178 D179 V180V122-L176 HydrophobicContact CB-CD2 4.38Å; V122-L176 HydrophobicContact CG1-CD2 4.35Å; V122-L176 HydrophobicContact CG2-CD2 4.29Å; T125-L176 HydrophobicContact CG2-CD2 3.66Å; T125-L176 HydrophobicContact CG2-CG 3.8Å; T172-L176 HydrophobicContact CG2-CD1 3.98Å; T172-L176 HydrophobicContact CG2-CG 4.11Å; T172-L176 WeakPolarHBondContact O-CB 3.49Å; T172-L176 WeakPolarHBondContact O-CG 3.44Å; T172-L176 PolarHBondContact O-N 3.28Å; L176-R178 PolarHBondContact O-N 3.47Å; L176-D179 PolarHBondContact O-N 2.97Å; L176-V180 HydrophobicContact CB-CG2 4.28Å; L176-V180 HydrophobicContact CD2-CG2 3.8Å; L176-V180 WeakPolarHBondContact O-CB 3.34Å; L176-V180 VanDerWaalsContact O-CG2 3.25Å; L176-V180 WeakPolarHBondContact O-CG2 3.31Å; L176-V180 PolarHBondContact O-N 3.24Å
177M82.9Confident83.3Confident99 Ų9939.7 Ų39.749%0.48821%0.214SC..Hα-helixtrans-59.3-31178.6-174.8-178.8-70.600112.7A173 L174 T175 P181 F249A173-M177 PolarHBondContact O-N 2.93Å; A173-M177 VanDerWaalsContact O-N 3.07Å; L174-M177 PolarHBondContact O-N 3.18Å; T175-M177 PolarHBondContact O-N 2.96Å; M177-P181 WeakPolarHBondContact O-CD 3.39Å; M177-P181 WeakPolarHBondContact O-CG 3.47Å; M177-F249 HydrophobicContact CE-CD2 4.07Å; M177-F249 HydrophobicContact CE-CE2 4.15Å; M177-F249 HydrophobicContact SD-CD2 4.16Å; M177-F249 HydrophobicContact SD-CE2 4.16Å
178R83.9Confident83.9Confident32 Ų3241.6 Ų41.612%0.12122%0.222CC..Hα-helixtrans-85.9-51.7175-176.1-166.369.3173.3-0.7111.6E132 L174 T175 L176 V180 P181 A182 A227 P230 D231E132-R178 IonicContact OE1-CZ 3.85Å; E132-R178 IonicContact OE1-NH2 2.78Å; E132-R178 PolarHBondContact OE1-NH2 3.41Å; L174-R178 PolarHBondContact O-N 3.46Å; T175-R178 PolarHBondContact O-N 2.92Å; L176-R178 PolarHBondContact O-N 3.47Å; R178-V180 PolarHBondContact O-N 3.31Å; R178-P181 WeakPolarHBondContact O-CD 2.87Å; R178-A182 WeakPolarHBondContact O-CB 3.31Å; R178-A182 PolarHBondContact O-N 2.9Å; R178-A227 HydrophobicContact CG-CB 3.99Å; R178-P230 HydrophobicContact CB-CB 4.24Å; R178-P230 HydrophobicContact CB-CG 4.24Å; R178-P230 HydrophobicContact CG-CG 4.15Å; R178-D231 IonicContact NH1-OD1 2.71Å; R178-D231 PolarHBondContact NH1-OD1 3.48Å
179D85.1Confident84.2Confident17 Ų1740.9 Ų40.99%0.09122%0.219CC..Hα-helixtrans-73.8-32.8-165.7-71.18.8000112.3T125 T175 L176 S183T125-D179 WeakPolarHBondContact OG1-CB 3.43Å; T125-D179 PolarHBondContact OG1-OD2 3.39Å; T175-D179 WeakPolarHBondContact CG2-OD2 3.15Å; T175-D179 WeakPolarHBondContact O-CB 3.48Å; T175-D179 VanDerWaalsContact O-CG 3.32Å; T175-D179 PolarHBondContact O-N 3.49Å; L176-D179 PolarHBondContact O-N 2.97Å; D179-S183 WeakPolarHBondContact O-CB 3.38Å; D179-S183 PolarHBondContact O-N 3.09Å; D179-S183 PolarHBondContact O-OG 2.66Å
180V89.4Confident84.4Confident19 Ų1939 Ų3912%0.11521%0.211CC..Hα-helixtrans-68.4-55.4-178.3174.20000111.2M118 V122 L176 R178 A182 S183 G184M118-V180 HydrophobicContact CB-CG1 3.53Å; M118-V180 HydrophobicContact CE-CG1 3.4Å; M118-V180 VanDerWaalsContact CE-CG1 3.4Å; M118-V180 HydrophobicContact CG-CG1 3.74Å; M118-V180 HydrophobicContact SD-CG1 4.4Å; V122-V180 HydrophobicContact CG2-CG2 3.68Å; L176-V180 HydrophobicContact CB-CG2 4.28Å; L176-V180 HydrophobicContact CD2-CG2 3.8Å; L176-V180 WeakPolarHBondContact O-CB 3.34Å; L176-V180 VanDerWaalsContact O-CG2 3.25Å; L176-V180 WeakPolarHBondContact O-CG2 3.31Å; L176-V180 PolarHBondContact O-N 3.24Å; R178-V180 PolarHBondContact O-N 3.31Å; V180-A182 VanDerWaalsContact C-N 3.31Å; V180-A182 PolarHBondContact O-N 3.44Å; V180-S183 PolarHBondContact O-N 3.18Å; V180-G184 PolarHBondContact O-N 2.82Å
181P89.1Confident84.9Confident41 Ų4132.8 Ų32.827%0.26619%0.185SC..Hα-helixtrans-63.3-37.5176.6-21.934.3000112.8M177 R178 G184 M185 V226M177-P181 WeakPolarHBondContact O-CD 3.39Å; M177-P181 WeakPolarHBondContact O-CG 3.47Å; R178-P181 WeakPolarHBondContact O-CD 2.87Å; P181-G184 PolarHBondContact O-N 3.18Å; P181-M185 WeakPolarHBondContact O-CB 3.24Å; P181-M185 PolarHBondContact O-N 3.4Å; P181-V226 HydrophobicContact CB-CG1 3.8Å
182A87.8Confident85.6Confident3 Ų336.3 Ų36.33%0.02519%0.187CC..Hα-helixtrans-64-44.2178.800000111.4R178 V180 M185 Y186 N223 A227R178-A182 WeakPolarHBondContact O-CB 3.31Å; R178-A182 PolarHBondContact O-N 2.9Å; V180-A182 VanDerWaalsContact C-N 3.31Å; V180-A182 PolarHBondContact O-N 3.44Å; A182-M185 PolarHBondContact O-N 3.15Å; A182-Y186 WeakPolarHBondContact O-CB 3.48Å; A182-Y186 PolarHBondContact O-N 3.24Å; A182-N223 WeakPolarHBondContact CB-ND2 3.33Å; A182-N223 PolarHBondContact O-ND2 3.15Å; A182-A227 HydrophobicContact CB-CB 3.87Å
183S87.9Confident85.9Confident19 Ų1935.9 Ų35.913%0.13318%0.184CC..Hα-helixtrans-65.6-40.5177.1-59.60000111.8G117 G121 D179 V180 M185 Y186 F187G117-S183 CarbonylContact O-C 3.6Å; G117-S183 WeakPolarHBondContact O-CB 3.38Å; G121-S183 WeakPolarHBondContact CA-OG 3.41Å; D179-S183 WeakPolarHBondContact O-CB 3.38Å; D179-S183 PolarHBondContact O-N 3.09Å; D179-S183 PolarHBondContact O-OG 2.66Å; V180-S183 PolarHBondContact O-N 3.18Å; S183-M185 VanDerWaalsContact C-N 3.35Å; S183-M185 PolarHBondContact O-N 3.48Å; S183-Y186 WeakPolarHBondContact O-CB 3.31Å; S183-Y186 PolarHBondContact O-N 3.14Å; S183-F187 WeakPolarHBondContact O-CD2 3.29Å; S183-F187 PolarHBondContact O-N 3Å; S183-F187 VanDerWaalsContact O-N 3.09Å
184G89.5Confident86Confident0 Ų033.4 Ų33.40%016%0.159CC..Hα-helixtrans-55.8-49.3171.700000112.1F114 V180 P181 Y186 F187 M188F114-G184 WeakPolarHBondContact CD2-O 3.34Å; F114-G184 VanDerWaalsContact O-CA 3.26Å; F114-G184 WeakPolarHBondContact O-CA 3.17Å; V180-G184 PolarHBondContact O-N 2.82Å; P181-G184 PolarHBondContact O-N 3.18Å; G184-Y186 VanDerWaalsContact C-N 3.33Å; G184-Y186 PolarHBondContact O-N 3.36Å; G184-F187 PolarHBondContact O-N 2.9Å; G184-M188 VanDerWaalsContact O-CB 3.31Å; G184-M188 WeakPolarHBondContact O-CB 3.32Å; G184-M188 PolarHBondContact O-N 3.29Å
185M91.9Very high86.4Confident34 Ų3434.7 Ų34.717%0.16717%0.166CC..Hα-helixtrans-63.4-39.2178.8-170.368.6-126.200111.9F114 P181 A182 S183 M188 S189 F222 V226F114-M185 HydrophobicContact CE2-CB 4.29Å; P181-M185 WeakPolarHBondContact O-CB 3.24Å; P181-M185 PolarHBondContact O-N 3.4Å; A182-M185 PolarHBondContact O-N 3.15Å; S183-M185 VanDerWaalsContact C-N 3.35Å; S183-M185 PolarHBondContact O-N 3.48Å; M185-M188 HydrophobicContact CE-CE 3.31Å; M185-M188 HydrophobicContact SD-CE 3.53Å; M185-M188 VanDerWaalsContact SD-CE 3.53Å; M185-S189 VanDerWaalsContact O-CB 3.3Å; M185-S189 WeakPolarHBondContact O-CB 3.46Å; M185-S189 PolarHBondContact O-N 3.45Å; M185-S189 PolarHBondContact O-OG 2.9Å; M185-F222 HydrophobicContact CE-CB 4.11Å; M185-F222 HydrophobicContact CE-CD1 4.34Å; M185-F222 HydrophobicContact CE-CG 4.35Å; M185-F222 HydrophobicContact CG-CB 4.01Å; M185-V226 HydrophobicContact CB-CB 4.35Å; M185-V226 HydrophobicContact CB-CG2 3.95Å; M185-V226 HydrophobicContact CG-CB 4.47Å; M185-V226 HydrophobicContact CG-CG2 3.67Å; M185-V226 HydrophobicContact SD-CG2 4.15Å
186Y89Confident86.6Confident69 Ų6939.7 Ų39.727%0.27119%0.192SC..Hα-helixtrans-58-56.9176.9-177.1-95.2000111.2A182 S183 G184 M188 S189 Y190 A219 N223A182-Y186 WeakPolarHBondContact O-CB 3.48Å; A182-Y186 PolarHBondContact O-N 3.24Å; S183-Y186 WeakPolarHBondContact O-CB 3.31Å; S183-Y186 PolarHBondContact O-N 3.14Å; G184-Y186 VanDerWaalsContact C-N 3.33Å; G184-Y186 PolarHBondContact O-N 3.36Å; Y186-M188 PolarHBondContact O-N 3.32Å; Y186-S189 PolarHBondContact O-N 3.32Å; Y186-S189 PolarHBondContact O-OG 3.14Å; Y186-S189 VanDerWaalsContact O-OG 3.11Å; Y186-Y190 WeakPolarHBondContact O-CB 2.95Å; Y186-Y190 PolarHBondContact O-N 3.23Å; Y186-A219 HydrophobicContact CD2-CB 3.86Å; Y186-A219 HydrophobicContact CE2-CB 3.85Å; Y186-A219 HydrophobicContact CG-CB 4.43Å; Y186-N223 HydrophobicContact CD2-CB 4.1Å
187F87.1Confident86.3Confident5 Ų540 Ų402%0.02219%0.194CC..Hα-helixtrans-67.2-37.6-177.2-77.8-74.3000112.8F90 F93 S120 S183 G184 E191F90-F187 HydrophobicContact CD1-CE1 4.34Å; F90-F187 HydrophobicContact CD1-CZ 4.49Å; F90-F187 HydrophobicContact CE1-CE1 4.06Å; F90-F187 HydrophobicContact CE1-CZ 4.41Å; F93-F187 HydrophobicContact CB-CE1 4.11Å; F93-F187 HydrophobicContact CB-CE2 4.19Å; F93-F187 HydrophobicContact CB-CZ 3.89Å; F93-F187 AromaticContact CD1-CD1 3.7Å; F93-F187 HydrophobicContact CD1-CD1 3.7Å; F93-F187 AromaticContact CD1-CE1 3.59Å; F93-F187 HydrophobicContact CD1-CE1 3.59Å; F93-F187 HydrophobicContact CD1-CG 4.43Å; F93-F187 HydrophobicContact CD1-CZ 4.26Å; F93-F187 HydrophobicContact CD2-CB 4.05Å; F93-F187 AromaticContact CD2-CD1 3.72Å; F93-F187 HydrophobicContact CD2-CD1 3.72Å; F93-F187 AromaticContact CD2-CD2 3.87Å; F93-F187 HydrophobicContact CD2-CD2 3.87Å; F93-F187 HydrophobicContact CD2-CE1 4.09Å; F93-F187 HydrophobicContact CD2-CE2 4.24Å; F93-F187 AromaticContact CD2-CG 3.6Å; F93-F187 HydrophobicContact CD2-CG 3.6Å; F93-F187 HydrophobicContact CD2-CZ 4.33Å; F93-F187 AromaticContact CE1-CD1 3.61Å; F93-F187 HydrophobicContact CE1-CD1 3.61Å; F93-F187 AromaticContact CE1-CE1 3.95Å; F93-F187 HydrophobicContact CE1-CE1 3.95Å; F93-F187 HydrophobicContact CE1-CG 4.36Å; F93-F187 HydrophobicContact CE2-CB 3.52Å; F93-F187 AromaticContact CE2-CD1 3.66Å; F93-F187 HydrophobicContact CE2-CD1 3.66Å; F93-F187 HydrophobicContact CE2-CD2 4.25Å; F93-F187 HydrophobicContact CE2-CE1 4.43Å; F93-F187 AromaticContact CE2-CG 3.54Å; F93-F187 HydrophobicContact CE2-CG 3.54Å; F93-F187 AromaticContact CG-CD1 3.74Å; F93-F187 HydrophobicContact CG-CD1 3.74Å; F93-F187 HydrophobicContact CG-CD2 4.29Å; F93-F187 AromaticContact CG-CE1 3.66Å; F93-F187 HydrophobicContact CG-CE1 3.66Å; F93-F187 HydrophobicContact CG-CE2 4.23Å; F93-F187 HydrophobicContact CG-CG 4.06Å; F93-F187 AromaticContact CG-CZ 3.92Å; F93-F187 HydrophobicContact CG-CZ 3.92Å; F93-F187 HydrophobicContact CZ-CB 3.93Å; F93-F187 AromaticContact CZ-CD1 3.59Å; F93-F187 HydrophobicContact CZ-CD1 3.59Å; F93-F187 HydrophobicContact CZ-CE1 4.36Å; F93-F187 AromaticContact CZ-CG 3.94Å; F93-F187 HydrophobicContact CZ-CG 3.94Å; S120-F187 WeakPolarHBondContact OG-CE2 3.5Å; S183-F187 WeakPolarHBondContact O-CD2 3.29Å; S183-F187 PolarHBondContact O-N 3Å; S183-F187 VanDerWaalsContact O-N 3.09Å; G184-F187 PolarHBondContact O-N 2.9Å; F187-E191 PolarHBondContact O-N 3.1Å
188M90.1Very high85.9Confident44 Ų4436.6 Ų36.622%0.21718%0.178CC..Hα-helixtrans-63.2-50.1176.1-176.7-179.57000111.8Y110 F114 G184 M185 Y186 Y190 E191 W192Y110-M188 HydrophobicContact CD1-CG 4.39Å; F114-M188 HydrophobicContact CB-CB 4.15Å; F114-M188 HydrophobicContact CB-CG 4.45Å; F114-M188 HydrophobicContact CB-SD 3.91Å; F114-M188 HydrophobicContact CD2-CB 4.44Å; F114-M188 HydrophobicContact CD2-CE 4.27Å; F114-M188 HydrophobicContact CD2-SD 4.27Å; F114-M188 HydrophobicContact CG-SD 4.45Å; G184-M188 VanDerWaalsContact O-CB 3.31Å; G184-M188 WeakPolarHBondContact O-CB 3.32Å; G184-M188 PolarHBondContact O-N 3.29Å; M185-M188 HydrophobicContact CE-CE 3.31Å; M185-M188 HydrophobicContact SD-CE 3.53Å; M185-M188 VanDerWaalsContact SD-CE 3.53Å; Y186-M188 PolarHBondContact O-N 3.32Å; M188-Y190 VanDerWaalsContact C-N 3.34Å; M188-E191 PolarHBondContact O-N 3.15Å; M188-W192 VanDerWaalsContact O-CB 3.32Å; M188-W192 WeakPolarHBondContact O-CB 3.27Å; M188-W192 PolarHBondContact O-N 2.81Å
189S88.9Confident85.2Confident1 Ų138.7 Ų38.71%0.00720%0.196CC..Hα-helixtrans-67.8-34.7178.9560000112.3M185 Y186 W192 L193 A219M185-S189 VanDerWaalsContact O-CB 3.3Å; M185-S189 WeakPolarHBondContact O-CB 3.46Å; M185-S189 PolarHBondContact O-N 3.45Å; M185-S189 PolarHBondContact O-OG 2.9Å; Y186-S189 PolarHBondContact O-N 3.32Å; Y186-S189 PolarHBondContact O-OG 3.14Å; Y186-S189 VanDerWaalsContact O-OG 3.11Å; S189-W192 PolarHBondContact O-N 3.17Å; S189-L193 VanDerWaalsContact O-CB 3.29Å; S189-L193 WeakPolarHBondContact O-CB 2.98Å; S189-L193 WeakPolarHBondContact O-CD1 3.36Å; S189-L193 VanDerWaalsContact O-CG 3.24Å; S189-L193 WeakPolarHBondContact O-CG 3.4Å; S189-L193 PolarHBondContact O-N 3.21Å; S189-A219 WeakPolarHBondContact OG-CA 3.17Å; S189-A219 WeakPolarHBondContact OG-CB 3.47Å
190Y85.8Confident83.8Confident46 Ų4643.2 Ų43.218%0.1824%0.236CC..Hα-helixtrans-60.8-49.7175.1178.4-110.3000111.9Y186 M188 L193 K194 V212 A215 A219Y186-Y190 WeakPolarHBondContact O-CB 2.95Å; Y186-Y190 PolarHBondContact O-N 3.23Å; M188-Y190 VanDerWaalsContact C-N 3.34Å; Y190-L193 PolarHBondContact O-N 2.82Å; Y190-K194 HydrophobicContact CD1-CD 3.86Å; Y190-K194 HydrophobicContact CD2-CD 4.39Å; Y190-K194 HydrophobicContact CE1-CD 3.43Å; Y190-K194 VanDerWaalsContact CE1-CD 3.43Å; Y190-K194 HydrophobicContact CE2-CD 4.01Å; Y190-K194 HydrophobicContact CE2-CG 4.49Å; Y190-K194 HydrophobicContact CG-CD 4.34Å; Y190-K194 WeakPolarHBondContact O-CB 3.25Å; Y190-K194 VanDerWaalsContact O-CG 3.29Å; Y190-K194 WeakPolarHBondContact O-CG 2.93Å; Y190-K194 PolarHBondContact O-N 3.25Å; Y190-V212 HydrophobicContact CE2-CG1 4.4Å; Y190-V212 WeakPolarHBondContact OH-CG1 3.45Å; Y190-A215 HydrophobicContact CD2-CB 4.05Å; Y190-A215 HydrophobicContact CE2-CB 4.17Å; Y190-A219 HydrophobicContact CD2-CB 4.48Å
191E84.2Confident82.2Confident28 Ų2846.6 Ų46.613%0.13127%0.274CS..Hα-helixtrans-70-35.8177.9-66.2-63.1172.800112.1L113 F187 M188 K194 N195L113-E191 HydrophobicContact CD1-CB 3.76Å; L113-E191 HydrophobicContact CD1-CG 4.02Å; L113-E191 HydrophobicContact CD2-CG 4.36Å; F187-E191 PolarHBondContact O-N 3.1Å; M188-E191 PolarHBondContact O-N 3.15Å; E191-K194 PolarHBondContact O-N 2.9Å; E191-K194 IonicContact OE1-NZ 2.84Å; E191-K194 PolarHBondContact OE1-NZ 2.9Å; E191-K194 IonicContact OE2-NZ 3.8Å; E191-K194 PolarHBondContact OE2-NZ 3.13Å; E191-N195 WeakPolarHBondContact O-CB 3.2Å; E191-N195 PolarHBondContact O-N 3.03Å
192W86.4Confident80.7Confident109 Ų10949.8 Ų49.841%0.41328%0.284SS..Hα-helixtrans-61.4-44.9173.2176.265.3000112.7Y110 M188 S189 N195 L196 F222Y110-W192 HydrophobicContact CD1-CB 4.19Å; Y110-W192 HydrophobicContact CE1-CB 3.7Å; Y110-W192 HydrophobicContact CE1-CG 4.29Å; Y110-W192 AromaticContact CZ-CD1 3.73Å; M188-W192 VanDerWaalsContact O-CB 3.32Å; M188-W192 WeakPolarHBondContact O-CB 3.27Å; M188-W192 PolarHBondContact O-N 2.81Å; S189-W192 PolarHBondContact O-N 3.17Å; W192-N195 WeakPolarHBondContact O-CB 3.34Å; W192-N195 PolarHBondContact O-N 3.29Å; W192-L196 HydrophobicContact CD2-CD1 3.86Å; W192-L196 VanDerWaalsContact CE2-CD1 3.44Å; W192-L196 HydrophobicContact CE3-CD1 4.24Å; W192-L196 HydrophobicContact CG-CD1 4.47Å; W192-L196 HydrophobicContact CH2-CD1 3.91Å; W192-L196 HydrophobicContact CZ2-CD1 3.49Å; W192-L196 VanDerWaalsContact CZ2-CD1 3.49Å; W192-L196 HydrophobicContact CZ3-CD1 4.27Å; W192-L196 PolarHBondContact O-N 3.49Å; W192-F222 HydrophobicContact CZ3-CE2 4.33Å; W192-F222 HydrophobicContact CZ3-CZ 4.15Å
193L86.1Confident79.3Confident17 Ų1752.9 Ų52.99%0.08931%0.305CS..Hα-helixtrans-68.2-38.2176.6-74.9165.4000111.6S189 Y190 N195 L196 L197 A215 M218 F222S189-L193 VanDerWaalsContact O-CB 3.29Å; S189-L193 WeakPolarHBondContact O-CB 2.98Å; S189-L193 WeakPolarHBondContact O-CD1 3.36Å; S189-L193 VanDerWaalsContact O-CG 3.24Å; S189-L193 WeakPolarHBondContact O-CG 3.4Å; S189-L193 PolarHBondContact O-N 3.21Å; Y190-L193 PolarHBondContact O-N 2.82Å; L193-N195 VanDerWaalsContact C-N 3.33Å; L193-N195 PolarHBondContact O-N 3.09Å; L193-L196 PolarHBondContact O-N 3.26Å; L193-L197 WeakPolarHBondContact O-CB 3.41Å; L193-L197 WeakPolarHBondContact O-CD1 3.39Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3.03Å; L193-A215 HydrophobicContact CB-CB 3.85Å; L193-M218 HydrophobicContact CD1-CB 3.44Å; L193-M218 VanDerWaalsContact CD1-CB 3.44Å; L193-F222 HydrophobicContact CD1-CE2 4.29Å
194K81.3Confident77.8Confident23 Ų2355.2 Ų55.210%0.131%0.314CS..Hα-helixtrans-60.4-43.5172-77.5174.262.7-144.70111.4Y190 E191 L196 L197 T198 L207 A215Y190-K194 HydrophobicContact CD1-CD 3.86Å; Y190-K194 HydrophobicContact CD2-CD 4.39Å; Y190-K194 HydrophobicContact CE1-CD 3.43Å; Y190-K194 VanDerWaalsContact CE1-CD 3.43Å; Y190-K194 HydrophobicContact CE2-CD 4.01Å; Y190-K194 HydrophobicContact CE2-CG 4.49Å; Y190-K194 HydrophobicContact CG-CD 4.34Å; Y190-K194 WeakPolarHBondContact O-CB 3.25Å; Y190-K194 VanDerWaalsContact O-CG 3.29Å; Y190-K194 WeakPolarHBondContact O-CG 2.93Å; Y190-K194 PolarHBondContact O-N 3.25Å; E191-K194 PolarHBondContact O-N 2.9Å; E191-K194 IonicContact OE1-NZ 2.84Å; E191-K194 PolarHBondContact OE1-NZ 2.9Å; E191-K194 IonicContact OE2-NZ 3.8Å; E191-K194 PolarHBondContact OE2-NZ 3.13Å; K194-L196 PolarHBondContact O-N 3.46Å; K194-L197 PolarHBondContact O-N 3.41Å; K194-T198 WeakPolarHBondContact O-CB 3.21Å; K194-T198 PolarHBondContact O-N 3.11Å; K194-T198 PolarHBondContact O-OG1 2.96Å; K194-L207 HydrophobicContact CB-CD1 3.69Å; K194-L207 HydrophobicContact CD-CD1 4.4Å; K194-L207 HydrophobicContact CG-CD1 3.75Å; K194-A215 HydrophobicContact CG-CB 4.02Å
195N82.6Confident76.2Confident63 Ų6362.5 Ų62.534%0.33735%0.353SS..Hα-helixtrans-57.9-46.8174.5-82.3-25.7000111.9Y110 E191 W192 L193 L197 T198 H204Y110-N195 PolarHBondContact OH-ND2 2.98Å; E191-N195 WeakPolarHBondContact O-CB 3.2Å; E191-N195 PolarHBondContact O-N 3.03Å; W192-N195 WeakPolarHBondContact O-CB 3.34Å; W192-N195 PolarHBondContact O-N 3.29Å; L193-N195 VanDerWaalsContact C-N 3.33Å; L193-N195 PolarHBondContact O-N 3.09Å; N195-L197 VanDerWaalsContact C-N 3.35Å; N195-L197 PolarHBondContact O-N 3Å; N195-T198 PolarHBondContact O-N 2.78Å; N195-H204 PolarHBondContact OD1-CE1 3.33Å; N195-H204 PolarHBondContact OD1-NE2 3.12Å
196L83.4Confident74.6Confident112 Ų11266.8 Ų66.859%0.58637%0.373SS*.Hα-helixtrans-64.9-35.9178.4-77.7166.4000113.5W192 L193 K194W192-L196 HydrophobicContact CD2-CD1 3.86Å; W192-L196 VanDerWaalsContact CE2-CD1 3.44Å; W192-L196 HydrophobicContact CE3-CD1 4.24Å; W192-L196 HydrophobicContact CG-CD1 4.47Å; W192-L196 HydrophobicContact CH2-CD1 3.91Å; W192-L196 HydrophobicContact CZ2-CD1 3.49Å; W192-L196 VanDerWaalsContact CZ2-CD1 3.49Å; W192-L196 HydrophobicContact CZ3-CD1 4.27Å; W192-L196 PolarHBondContact O-N 3.49Å; L193-L196 PolarHBondContact O-N 3.26Å; K194-L196 PolarHBondContact O-N 3.46Å
197L79.8Confident73.5Confident60 Ų6064.3 Ų64.331%0.31436%0.364SS..Hα-helixtrans-85-10.7-178.5-65.8168.3000113L193 K194 N195 P199 L207 F214 A215L193-L197 WeakPolarHBondContact O-CB 3.41Å; L193-L197 WeakPolarHBondContact O-CD1 3.39Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3.03Å; K194-L197 PolarHBondContact O-N 3.41Å; N195-L197 VanDerWaalsContact C-N 3.35Å; N195-L197 PolarHBondContact O-N 3Å; L197-P199 WeakPolarHBondContact O-CD 3.37Å; L197-L207 HydrophobicContact CB-CD2 4.03Å; L197-L207 WeakPolarHBondContact O-CD2 3.29Å; L197-F214 HydrophobicContact CD1-CD1 3.95Å; L197-A215 HydrophobicContact CD1-CB 4.15Å
198T74.4Confident72.7Confident26 Ų2666.9 Ų66.916%0.1638%0.383CS..SBendtrans-81.1116.6178.3-58.50000108.9K194 N195 K202 L207K194-T198 WeakPolarHBondContact O-CB 3.21Å; K194-T198 PolarHBondContact O-N 3.11Å; K194-T198 PolarHBondContact O-OG1 2.96Å; N195-T198 PolarHBondContact O-N 2.78Å; T198-K202 HydrophobicContact CG2-CB 4.27Å; T198-K202 WeakPolarHBondContact CG2-O 3.44Å; T198-L207 WeakPolarHBondContact OG1-CD1 3.4Å; T198-L207 WeakPolarHBondContact OG1-CG 3.49Å
199P69.8Low71.7Confident77 Ų7766 Ų6650%0.538%0.378SS..PPolyproline II helixtrans-62.8147.3177-2033000111.5L197 G201 K202L197-P199 WeakPolarHBondContact O-CD 3.37Å; P199-G201 PolarHBondContact O-N 3.07Å; P199-K202 PolarHBondContact O-N 2.89Å; P199-K202 VanDerWaalsContact O-N 3.14Å
200A55.3Low70.9Confident111 Ų11168.5 Ų68.592%0.91740%0.395SS*.THydrogen-bonded Turntrans-53.9124178.600000111.3
201G54.8Low70.4Confident90 Ų9067.9 Ų67.993%0.92840%0.397SS*.THydrogen-bonded Turntrans94.43.6179.900000116.1P199P199-G201 PolarHBondContact O-N 3.07Å
202K59.2Low70.1Confident109 Ų10968.3 Ų68.347%0.47440%0.402SS..  trans-112.1150.9175-68.5-166.9177.5-176.60112.4T198 P199 E206T198-K202 HydrophobicContact CG2-CB 4.27Å; T198-K202 WeakPolarHBondContact CG2-O 3.44Å; P199-K202 PolarHBondContact O-N 2.89Å; P199-K202 VanDerWaalsContact O-N 3.14Å; K202-E206 WeakPolarHBondContact CA-OE2 3.27Å; K202-E206 HydrophobicContact CB-CB 4.41Å; K202-E206 WeakPolarHBondContact CB-OE2 3.33Å; K202-E206 WeakPolarHBondContact CG-OE2 3.45Å
203S57.7Low69.6Low67 Ų6765 Ų6547%0.46939%0.392SS..  trans-83156.3177.2-178.70000111.4N205 E206S203-N205 PolarHBondContact O-N 3.03Å; S203-E206 PolarHBondContact N-OE2 3.05Å; S203-E206 WeakPolarHBondContact O-CB 3.45Å; S203-E206 PolarHBondContact O-N 2.67Å
204H57.3Low69.4Low68 Ų6869 Ų6932%0.31541%0.409SS..G310 helixtrans-51.7-28173.1-75.8-88.7000114N195 E206N195-H204 PolarHBondContact OD1-CE1 3.33Å; N195-H204 PolarHBondContact OD1-NE2 3.12Å; H204-E206 PolarHBondContact O-N 2.7Å
205N55.6Low69.5Low154 Ų15468 Ų6882%0.82440%0.404SS*.G310 helixtrans-76.8-8.6179.2-70.9-16000113.3S203S203-N205 PolarHBondContact O-N 3.03Å
206E58Low69.5Low123 Ų12365.6 Ų65.658%0.57540%0.395SS*.G310 helixtrans-1034.6179.6-57-174.5140.400112.9K202 S203 H204K202-E206 WeakPolarHBondContact CA-OE2 3.27Å; K202-E206 HydrophobicContact CB-CB 4.41Å; K202-E206 WeakPolarHBondContact CB-OE2 3.33Å; K202-E206 WeakPolarHBondContact CG-OE2 3.45Å; S203-E206 PolarHBondContact N-OE2 3.05Å; S203-E206 WeakPolarHBondContact O-CB 3.45Å; S203-E206 PolarHBondContact O-N 2.67Å; H204-E206 PolarHBondContact O-N 2.7Å
207L66Low69.4Low18 Ų1860.7 Ų60.79%0.09437%0.371CS..SBendtrans-61.6136.8173.6-83.8166.1000110.6K194 L197 T198 V212K194-L207 HydrophobicContact CB-CD1 3.69Å; K194-L207 HydrophobicContact CD-CD1 4.4Å; K194-L207 HydrophobicContact CG-CD1 3.75Å; L197-L207 HydrophobicContact CB-CD2 4.03Å; L197-L207 WeakPolarHBondContact O-CD2 3.29Å; T198-L207 WeakPolarHBondContact OG1-CD1 3.4Å; T198-L207 WeakPolarHBondContact OG1-CG 3.49Å; L207-V212 HydrophobicContact CB-CG2 3.8Å
208S69.6Low69.6Low58 Ų5860.7 Ų60.741%0.40637%0.37SS..  trans-63.4141172.788.40000109.6P210 S211 V212S208-P210 VanDerWaalsContact C-CD 3.5Å; S208-P210 VanDerWaalsContact C-N 3.32Å; S208-S211 CarbonylContact O-C 3.59Å; S208-S211 WeakPolarHBondContact O-CA 3.46Å; S208-S211 WeakPolarHBondContact O-CB 3.11Å; S208-S211 PolarHBondContact O-N 3.37Å; S208-S211 PolarHBondContact OG-N 2.83Å; S208-S211 PolarHBondContact OG-OG 3.25Å; S208-V212 PolarHBondContact O-N 3.49Å
209I69.1Low70.2Confident25 Ų2559.4 Ų59.413%0.12836%0.363CS..Hα-helixtrans-62.7-34.9-177.8-54.3162.9000112.5I8 N13 S211 V212 L213 F287I8-I209 HydrophobicContact CB-CD1 4.36Å; I8-I209 HydrophobicContact CD1-CD1 3.69Å; I8-I209 HydrophobicContact CD1-CG1 4.37Å; I8-I209 HydrophobicContact CG2-CD1 4.22Å; N13-I209 HydrophobicContact CB-CD1 4.24Å; N13-I209 WeakPolarHBondContact OD1-CD1 3.16Å; I209-S211 VanDerWaalsContact C-N 3.27Å; I209-S211 PolarHBondContact O-N 3.41Å; I209-V212 PolarHBondContact O-N 3.49Å; I209-V212 VanDerWaalsContact O-N 3.15Å; I209-L213 HydrophobicContact CG2-CD1 4.12Å; I209-L213 HydrophobicContact CG2-CG 4.13Å; I209-L213 WeakPolarHBondContact O-CB 3.27Å; I209-L213 WeakPolarHBondContact O-CG 3.3Å; I209-L213 PolarHBondContact O-N 3.29Å; I209-F287 HydrophobicContact CB-CE1 3.78Å; I209-F287 HydrophobicContact CB-CE2 4.34Å; I209-F287 HydrophobicContact CB-CZ 3.49Å; I209-F287 VanDerWaalsContact CB-CZ 3.49Å; I209-F287 HydrophobicContact CD1-CE1 4.49Å; I209-F287 HydrophobicContact CD1-CE2 4.35Å; I209-F287 HydrophobicContact CD1-CZ 3.59Å; I209-F287 HydrophobicContact CG1-CZ 4.14Å; I209-F287 HydrophobicContact CG2-CD1 4.33Å; I209-F287 HydrophobicContact CG2-CD2 4.25Å; I209-F287 HydrophobicContact CG2-CE1 3.54Å; I209-F287 HydrophobicContact CG2-CE2 3.45Å; I209-F287 VanDerWaalsContact CG2-CE2 3.45Å; I209-F287 HydrophobicContact CG2-CZ 3.06Å
210P71.6Confident70.8Confident55 Ų5556.6 Ų56.636%0.35735%0.348SS..Hα-helixtrans-55.9-40.1167.1-27.536.6000113.1S208 F214S208-P210 VanDerWaalsContact C-CD 3.5Å; S208-P210 VanDerWaalsContact C-N 3.32Å; P210-F214 VanDerWaalsContact O-CB 3.24Å; P210-F214 WeakPolarHBondContact O-CB 3.4Å; P210-F214 PolarHBondContact O-N 2.89Å
211S76.2Confident72.2Confident32 Ų3253.9 Ų53.922%0.22432%0.317CS..Hα-helixtrans-65.9-40.2174.2-52.40000112.2S208 I209 F214 A215S208-S211 CarbonylContact O-C 3.59Å; S208-S211 WeakPolarHBondContact O-CA 3.46Å; S208-S211 WeakPolarHBondContact O-CB 3.11Å; S208-S211 PolarHBondContact O-N 3.37Å; S208-S211 PolarHBondContact OG-N 2.83Å; S208-S211 PolarHBondContact OG-OG 3.25Å; I209-S211 VanDerWaalsContact C-N 3.27Å; I209-S211 PolarHBondContact O-N 3.41Å; S211-F214 PolarHBondContact O-N 3.04Å; S211-A215 WeakPolarHBondContact O-CB 3.44Å; S211-A215 PolarHBondContact O-N 2.76Å
212V77.6Confident73.8Confident37 Ų3753 Ų5322%0.22429%0.288CS..Hα-helixtrans-64-45.8176.5176.20000111.1Y190 L207 S208 I209 F214 A215 G216Y190-V212 HydrophobicContact CE2-CG1 4.4Å; Y190-V212 WeakPolarHBondContact OH-CG1 3.45Å; L207-V212 HydrophobicContact CB-CG2 3.8Å; S208-V212 PolarHBondContact O-N 3.49Å; I209-V212 PolarHBondContact O-N 3.49Å; I209-V212 VanDerWaalsContact O-N 3.15Å; V212-F214 VanDerWaalsContact C-N 3.34Å; V212-A215 PolarHBondContact O-N 3.02Å; V212-G216 PolarHBondContact O-N 3.4Å
213L76.6Confident75.1Confident39 Ų3949.2 Ų49.220%0.20427%0.273CS..Hα-helixtrans-64.8-38.9176-70.4172.6000110.8I209 G216 G217 F284 F287I209-L213 HydrophobicContact CG2-CD1 4.12Å; I209-L213 HydrophobicContact CG2-CG 4.13Å; I209-L213 WeakPolarHBondContact O-CB 3.27Å; I209-L213 WeakPolarHBondContact O-CG 3.3Å; I209-L213 PolarHBondContact O-N 3.29Å; L213-G216 PolarHBondContact O-N 2.89Å; L213-G217 PolarHBondContact O-N 3.5Å; L213-F284 HydrophobicContact CB-CD1 3.64Å; L213-F284 HydrophobicContact CB-CE1 3.08Å; L213-F284 HydrophobicContact CB-CZ 3.69Å; L213-F284 HydrophobicContact CD1-CD1 4.01Å; L213-F284 HydrophobicContact CD1-CE1 4.32Å; L213-F284 HydrophobicContact CG-CD1 4.5Å; L213-F284 HydrophobicContact CG-CE1 4.32Å; L213-F284 VanDerWaalsContact O-CZ 3.27Å; L213-F284 WeakPolarHBondContact O-CZ 3.36Å; L213-F287 HydrophobicContact CD1-CB 3.75Å; L213-F287 HydrophobicContact CD1-CD1 3.57Å; L213-F287 HydrophobicContact CD1-CD2 3.94Å; L213-F287 HydrophobicContact CD1-CE1 4.22Å; L213-F287 HydrophobicContact CD1-CG 3.43Å; L213-F287 VanDerWaalsContact CD1-CG 3.43Å
214F81.4Confident76.3Confident103 Ų10349.6 Ų49.645%0.45226%0.264SS..Hα-helixtrans-63.3-47.2175.8-178.6-97.4000111.5L197 P210 S211 V212 G216 G217 M218 F284L197-F214 HydrophobicContact CD1-CD1 3.95Å; P210-F214 VanDerWaalsContact O-CB 3.24Å; P210-F214 WeakPolarHBondContact O-CB 3.4Å; P210-F214 PolarHBondContact O-N 2.89Å; S211-F214 PolarHBondContact O-N 3.04Å; V212-F214 VanDerWaalsContact C-N 3.34Å; F214-G216 VanDerWaalsContact C-N 3.28Å; F214-G216 PolarHBondContact O-N 3.49Å; F214-G217 PolarHBondContact O-N 3.45Å; F214-M218 HydrophobicContact CD1-CG 4.24Å; F214-M218 HydrophobicContact CD2-CG 4.46Å; F214-M218 HydrophobicContact CE1-CG 3.81Å; F214-M218 HydrophobicContact CE2-CG 4.05Å; F214-M218 HydrophobicContact CE2-SD 4.38Å; F214-M218 HydrophobicContact CZ-CG 3.71Å; F214-M218 HydrophobicContact CZ-SD 4.15Å; F214-M218 WeakPolarHBondContact O-CB 3.35Å; F214-M218 WeakPolarHBondContact O-CG 3.2Å; F214-M218 PolarHBondContact O-N 2.91Å; F214-F284 HydrophobicContact CB-CE1 4.25Å; F214-F284 HydrophobicContact CB-CZ 4.22Å; F214-F284 VanDerWaalsContact N-CE1 3.27Å; F214-F284 VanDerWaalsContact N-CZ 3.29Å
215A84.2Confident77.7Confident0 Ų047.7 Ų47.70%026%0.26CS..Hα-helixtrans-56.5-43.5171.900000111.2Y190 L193 K194 L197 S211 V212 A219Y190-A215 HydrophobicContact CD2-CB 4.05Å; Y190-A215 HydrophobicContact CE2-CB 4.17Å; L193-A215 HydrophobicContact CB-CB 3.85Å; K194-A215 HydrophobicContact CG-CB 4.02Å; L197-A215 HydrophobicContact CD1-CB 4.15Å; S211-A215 WeakPolarHBondContact O-CB 3.44Å; S211-A215 PolarHBondContact O-N 2.76Å; V212-A215 PolarHBondContact O-N 3.02Å; A215-A219 WeakPolarHBondContact O-CB 3.4Å; A215-A219 PolarHBondContact O-N 3.46Å
216G82.2Confident79.2Confident14 Ų1442.9 Ų42.914%0.14424%0.236CC..Hα-helixtrans-63.8-42.9176.600000113.9V212 L213 F214 A219 G220V212-G216 PolarHBondContact O-N 3.4Å; L213-G216 PolarHBondContact O-N 2.89Å; F214-G216 VanDerWaalsContact C-N 3.28Å; F214-G216 PolarHBondContact O-N 3.49Å; G216-A219 PolarHBondContact O-N 3.23Å; G216-G220 PolarHBondContact O-N 2.87Å
217G81.3Confident80.4Confident9 Ų937.2 Ų37.29%0.09321%0.21CC..Hα-helixtrans-65.6-44.2177.900000112.5L213 F214 G220 I221L213-G217 PolarHBondContact O-N 3.5Å; F214-G217 PolarHBondContact O-N 3.45Å; G217-G220 PolarHBondContact O-N 3.02Å; G217-I221 PolarHBondContact O-N 3.38Å
218M84.8Confident81.2Confident59 Ų5936.6 Ų36.629%0.29121%0.207SC..Hα-helixtrans-68.4-40.1175.6-69.7-59.8-63.200111.9L193 F214 G220 I221 F222L193-M218 HydrophobicContact CD1-CB 3.44Å; L193-M218 VanDerWaalsContact CD1-CB 3.44Å; F214-M218 HydrophobicContact CD1-CG 4.24Å; F214-M218 HydrophobicContact CD2-CG 4.46Å; F214-M218 HydrophobicContact CE1-CG 3.81Å; F214-M218 HydrophobicContact CE2-CG 4.05Å; F214-M218 HydrophobicContact CE2-SD 4.38Å; F214-M218 HydrophobicContact CZ-CG 3.71Å; F214-M218 HydrophobicContact CZ-SD 4.15Å; F214-M218 WeakPolarHBondContact O-CB 3.35Å; F214-M218 WeakPolarHBondContact O-CG 3.2Å; F214-M218 PolarHBondContact O-N 2.91Å; M218-G220 PolarHBondContact O-N 3.26Å; M218-I221 HydrophobicContact CE-CD1 4.44Å; M218-I221 WeakPolarHBondContact O-CA 3.26Å; M218-I221 WeakPolarHBondContact O-CB 3.32Å; M218-I221 PolarHBondContact O-N 3.2Å; M218-I221 HydrophobicContact SD-CD1 3.88Å; M218-F222 WeakPolarHBondContact O-CD2 3.14Å; M218-F222 PolarHBondContact O-N 3.44Å; M218-F222 VanDerWaalsContact O-N 3.13Å
219A85.9Confident81.8Confident0 Ų034.9 Ų34.90%020%0.195CC..Hα-helixtrans-59.1-34.5171.600000112Y186 S189 Y190 A215 G216 I221 F222 N223Y186-A219 HydrophobicContact CD2-CB 3.86Å; Y186-A219 HydrophobicContact CE2-CB 3.85Å; Y186-A219 HydrophobicContact CG-CB 4.43Å; S189-A219 WeakPolarHBondContact OG-CA 3.17Å; S189-A219 WeakPolarHBondContact OG-CB 3.47Å; Y190-A219 HydrophobicContact CD2-CB 4.48Å; A215-A219 WeakPolarHBondContact O-CB 3.4Å; A215-A219 PolarHBondContact O-N 3.46Å; G216-A219 PolarHBondContact O-N 3.23Å; A219-I221 VanDerWaalsContact C-N 3.33Å; A219-I221 PolarHBondContact O-N 3.26Å; A219-F222 PolarHBondContact O-N 3.33Å; A219-N223 WeakPolarHBondContact O-CB 3.36Å; A219-N223 PolarHBondContact O-N 3.08Å
220G83.4Confident82.4Confident18 Ų1835 Ų3519%0.18620%0.197CC..Hα-helixtrans-59.8-39.617000000113.1G216 G217 M218 N223 W224G216-G220 PolarHBondContact O-N 2.87Å; G217-G220 PolarHBondContact O-N 3.02Å; M218-G220 PolarHBondContact O-N 3.26Å; G220-N223 WeakPolarHBondContact O-CB 3.3Å; G220-N223 PolarHBondContact O-N 3.01Å; G220-W224 PolarHBondContact O-N 3.22Å
221I83.7Confident82.7Confident53 Ų5335.1 Ų35.127%0.27220%0.195SC..Hα-helixtrans-64.3-46.3176-64.9173.9000110.6G217 M218 A219 N223 W224 A225 M273G217-I221 PolarHBondContact O-N 3.38Å; M218-I221 HydrophobicContact CE-CD1 4.44Å; M218-I221 WeakPolarHBondContact O-CA 3.26Å; M218-I221 WeakPolarHBondContact O-CB 3.32Å; M218-I221 PolarHBondContact O-N 3.2Å; M218-I221 HydrophobicContact SD-CD1 3.88Å; A219-I221 VanDerWaalsContact C-N 3.33Å; A219-I221 PolarHBondContact O-N 3.26Å; I221-N223 VanDerWaalsContact C-N 3.35Å; I221-N223 PolarHBondContact O-N 3.07Å; I221-W224 PolarHBondContact O-N 3.46Å; I221-A225 PolarHBondContact O-N 3.43Å; I221-M273 HydrophobicContact CB-SD 4.17Å; I221-M273 HydrophobicContact CD1-SD 4.4Å; I221-M273 HydrophobicContact CG1-SD 3.86Å; I221-M273 HydrophobicContact CG2-CE 4.22Å; I221-M273 HydrophobicContact CG2-SD 3.63Å
222F87.8Confident82.7Confident72 Ų7234.6 Ų34.632%0.31619%0.19SC..Hα-helixtrans-63-39.9176.4-72.6-71.8000112.6M185 W192 L193 M218 A219 A225 V226M185-F222 HydrophobicContact CE-CB 4.11Å; M185-F222 HydrophobicContact CE-CD1 4.34Å; M185-F222 HydrophobicContact CE-CG 4.35Å; M185-F222 HydrophobicContact CG-CB 4.01Å; W192-F222 HydrophobicContact CZ3-CE2 4.33Å; W192-F222 HydrophobicContact CZ3-CZ 4.15Å; L193-F222 HydrophobicContact CD1-CE2 4.29Å; M218-F222 WeakPolarHBondContact O-CD2 3.14Å; M218-F222 PolarHBondContact O-N 3.44Å; M218-F222 VanDerWaalsContact O-N 3.13Å; A219-F222 PolarHBondContact O-N 3.33Å; F222-A225 WeakPolarHBondContact O-CB 3.44Å; F222-A225 PolarHBondContact O-N 2.71Å; F222-V226 PolarHBondContact O-N 2.95Å
223N87.9Confident82.7Confident30 Ų3033.8 Ų33.816%0.1618%0.184CC..Hα-helixtrans-56.1-50.1172.8171.7-79.7000111.3A182 Y186 A219 G220 I221 A225 V226 A227A182-N223 WeakPolarHBondContact CB-ND2 3.33Å; A182-N223 PolarHBondContact O-ND2 3.15Å; Y186-N223 HydrophobicContact CD2-CB 4.1Å; A219-N223 WeakPolarHBondContact O-CB 3.36Å; A219-N223 PolarHBondContact O-N 3.08Å; G220-N223 WeakPolarHBondContact O-CB 3.3Å; G220-N223 PolarHBondContact O-N 3.01Å; I221-N223 VanDerWaalsContact C-N 3.35Å; I221-N223 PolarHBondContact O-N 3.07Å; N223-A225 VanDerWaalsContact C-N 3.34Å; N223-A225 PolarHBondContact O-N 2.77Å; N223-V226 PolarHBondContact O-N 3.02Å; N223-A227 WeakPolarHBondContact O-CB 3.21Å; N223-A227 PolarHBondContact O-N 3.21Å
224W83.3Confident82.7Confident75 Ų7533.1 Ų33.128%0.28418%0.18SC..Hα-helixtrans-66.3-34.4178.9-81.7106.6000112.7G220 I221 V226 A227 I228 V272 M273G220-W224 PolarHBondContact O-N 3.22Å; I221-W224 PolarHBondContact O-N 3.46Å; W224-V226 PolarHBondContact O-N 2.87Å; W224-A227 HydrophobicContact CE3-CB 4.29Å; W224-A227 PolarHBondContact O-N 3.04Å; W224-I228 HydrophobicContact CB-CD1 4.36Å; W224-I228 HydrophobicContact CE3-CG1 4.2Å; W224-I228 WeakPolarHBondContact O-CB 3.42Å; W224-I228 VanDerWaalsContact O-CD1 3.27Å; W224-I228 WeakPolarHBondContact O-CD1 3.2Å; W224-I228 WeakPolarHBondContact O-CG1 3.49Å; W224-I228 PolarHBondContact O-N 3.27Å; W224-V272 HydrophobicContact CB-CG1 4.03Å; W224-V272 HydrophobicContact CD2-CG1 3.54Å; W224-V272 HydrophobicContact CE3-CG1 3.87Å; W224-V272 HydrophobicContact CE3-CG2 4.48Å; W224-V272 HydrophobicContact CG-CG1 3.59Å; W224-M273 HydrophobicContact CB-CE 3.82Å
225A85.6Confident82.1Confident28 Ų2831.3 Ų31.323%0.23118%0.18CC..Hα-helixtrans-57.9-37.4174.500000112.3I221 F222 N223 P229 Y266 F269I221-A225 PolarHBondContact O-N 3.43Å; F222-A225 WeakPolarHBondContact O-CB 3.44Å; F222-A225 PolarHBondContact O-N 2.71Å; N223-A225 VanDerWaalsContact C-N 3.34Å; N223-A225 PolarHBondContact O-N 2.77Å; A225-P229 WeakPolarHBondContact O-CD 3.14Å; A225-Y266 WeakPolarHBondContact O-CE1 3.48Å; A225-F269 HydrophobicContact CB-CE2 4.32Å
226V86.4Confident81.5Confident52 Ų5235.8 Ų35.832%0.31520%0.196SC..Hα-helixtrans-83-33176.4175.60000112.4P181 M185 F222 N223 W224 P230P181-V226 HydrophobicContact CB-CG1 3.8Å; M185-V226 HydrophobicContact CB-CB 4.35Å; M185-V226 HydrophobicContact CB-CG2 3.95Å; M185-V226 HydrophobicContact CG-CB 4.47Å; M185-V226 HydrophobicContact CG-CG2 3.67Å; M185-V226 HydrophobicContact SD-CG2 4.15Å; F222-V226 PolarHBondContact O-N 2.95Å; N223-V226 PolarHBondContact O-N 3.02Å; W224-V226 PolarHBondContact O-N 2.87Å; V226-P230 VanDerWaalsContact O-CD 3.24Å; V226-P230 WeakPolarHBondContact O-CD 3.43Å
227A83.6Confident81Confident4 Ų438.5 Ų38.53%0.03320%0.204CC..Hα-helixtrans-74.9-27.8-178.400000113.9R178 A182 N223 W224 P230 D231R178-A227 HydrophobicContact CG-CB 3.99Å; A182-A227 HydrophobicContact CB-CB 3.87Å; N223-A227 WeakPolarHBondContact O-CB 3.21Å; N223-A227 PolarHBondContact O-N 3.21Å; W224-A227 HydrophobicContact CE3-CB 4.29Å; W224-A227 PolarHBondContact O-N 3.04Å; A227-P230 VanDerWaalsContact O-CD 3.27Å; A227-P230 WeakPolarHBondContact O-CD 3.21Å; A227-P230 VanDerWaalsContact O-CG 3.29Å; A227-P230 WeakPolarHBondContact O-CG 3.25Å; A227-D231 VanDerWaalsContact O-CB 3.3Å; A227-D231 WeakPolarHBondContact O-CB 3.36Å; A227-D231 PolarHBondContact O-N 2.76Å
228I82.2Confident80.2Confident6 Ų643 Ų433%0.03122%0.223CC..Hα-helixtrans-64-48-172.4-78.5162.2000113.1W224 D231 V232 L265 Y266 F269 V272W224-I228 HydrophobicContact CB-CD1 4.36Å; W224-I228 HydrophobicContact CE3-CG1 4.2Å; W224-I228 WeakPolarHBondContact O-CB 3.42Å; W224-I228 VanDerWaalsContact O-CD1 3.27Å; W224-I228 WeakPolarHBondContact O-CD1 3.2Å; W224-I228 WeakPolarHBondContact O-CG1 3.49Å; W224-I228 PolarHBondContact O-N 3.27Å; I228-D231 WeakPolarHBondContact O-CB 3.39Å; I228-D231 PolarHBondContact O-N 2.89Å; I228-D231 VanDerWaalsContact O-N 3.12Å; I228-V232 HydrophobicContact CG2-CG2 4.3Å; I228-V232 WeakPolarHBondContact O-CG2 3.01Å; I228-V232 PolarHBondContact O-N 2.91Å; I228-L265 VanDerWaalsContact CG2-O 3.31Å; I228-L265 WeakPolarHBondContact CG2-O 3.35Å; I228-Y266 HydrophobicContact CG2-CD1 4.22Å; I228-F269 HydrophobicContact CD1-CB 4.03Å; I228-F269 HydrophobicContact CD1-CD2 3.47Å; I228-F269 VanDerWaalsContact CD1-CD2 3.47Å; I228-F269 HydrophobicContact CD1-CE2 4.34Å; I228-F269 HydrophobicContact CD1-CG 4.17Å; I228-V272 HydrophobicContact CD1-CG2 4.46Å
229P83Confident79.2Confident22 Ų2245.2 Ų45.214%0.14324%0.24CC..Hα-helixtrans-55.8-51.1177.7-2533.6000114.4A225 D231 V232 L233 L265 Y266A225-P229 WeakPolarHBondContact O-CD 3.14Å; P229-D231 VanDerWaalsContact C-N 3.29Å; P229-D231 PolarHBondContact O-N 3.42Å; P229-V232 PolarHBondContact O-N 2.95Å; P229-L233 WeakPolarHBondContact O-CG 3.36Å; P229-L233 PolarHBondContact O-N 3.37Å; P229-L265 WeakPolarHBondContact CA-O 3.44Å; P229-L265 HydrophobicContact CB-CB 4.18Å; P229-L265 HydrophobicContact CB-CD2 4.44Å; P229-L265 HydrophobicContact CG-CB 4.49Å; P229-Y266 HydrophobicContact CG-CE1 4Å; P229-Y266 HydrophobicContact CG-CE2 4.16Å
230P81.7Confident78.4Confident27 Ų2746.4 Ų46.418%0.17525%0.25CC..Hα-helixtrans-65.6-29.7175.421.8-28.9000113.2R178 V226 A227 L233 K234R178-P230 HydrophobicContact CB-CB 4.24Å; R178-P230 HydrophobicContact CB-CG 4.24Å; R178-P230 HydrophobicContact CG-CG 4.15Å; V226-P230 VanDerWaalsContact O-CD 3.24Å; V226-P230 WeakPolarHBondContact O-CD 3.43Å; A227-P230 VanDerWaalsContact O-CD 3.27Å; A227-P230 WeakPolarHBondContact O-CD 3.21Å; A227-P230 VanDerWaalsContact O-CG 3.29Å; A227-P230 WeakPolarHBondContact O-CG 3.25Å; P230-L233 PolarHBondContact O-N 2.86Å; P230-K234 VanDerWaalsContact O-CB 3.24Å; P230-K234 WeakPolarHBondContact O-CB 3.35Å; P230-K234 PolarHBondContact O-N 2.95Å
231D77.1Confident77.8Confident58 Ų5849.9 Ų49.931%0.3127%0.269SS..Hα-helixtrans-67.1-41.6174.9-158.461.6000111.8R178 A227 I228 P229 K234 S235R178-D231 IonicContact NH1-OD1 2.71Å; R178-D231 PolarHBondContact NH1-OD1 3.48Å; A227-D231 VanDerWaalsContact O-CB 3.3Å; A227-D231 WeakPolarHBondContact O-CB 3.36Å; A227-D231 PolarHBondContact O-N 2.76Å; I228-D231 WeakPolarHBondContact O-CB 3.39Å; I228-D231 PolarHBondContact O-N 2.89Å; I228-D231 VanDerWaalsContact O-N 3.12Å; P229-D231 VanDerWaalsContact C-N 3.29Å; P229-D231 PolarHBondContact O-N 3.42Å; D231-K234 PolarHBondContact O-N 2.86Å; D231-S235 WeakPolarHBondContact O-CB 3.4Å; D231-S235 PolarHBondContact O-N 3.34Å
232V76.6Confident77.1Confident20 Ų2057.1 Ų57.112%0.12130%0.302CS..Hα-helixtrans-63.5-46174.2171.90000110.9I228 P229 K234 S235 R236 L256 L265I228-V232 HydrophobicContact CG2-CG2 4.3Å; I228-V232 WeakPolarHBondContact O-CG2 3.01Å; I228-V232 PolarHBondContact O-N 2.91Å; P229-V232 PolarHBondContact O-N 2.95Å; V232-K234 PolarHBondContact O-N 3.24Å; V232-S235 PolarHBondContact O-N 3.33Å; V232-R236 HydrophobicContact CG1-CG 4.46Å; V232-R236 WeakPolarHBondContact O-CG 3.3Å; V232-R236 PolarHBondContact O-N 3.03Å; V232-L256 HydrophobicContact CG1-CD1 4.37Å; V232-L256 HydrophobicContact CG1-CD2 4.02Å; V232-L265 WeakPolarHBondContact CG2-O 3.24Å
233L77.9Confident76.2Confident21 Ų2157 Ų5711%0.1132%0.321CS..Hα-helixtrans-61.1-44.2176.9-69.5174.8000111.8P229 P230 F237 F249 V252 L253 L265P229-L233 WeakPolarHBondContact O-CG 3.36Å; P229-L233 PolarHBondContact O-N 3.37Å; P230-L233 PolarHBondContact O-N 2.86Å; L233-F237 VanDerWaalsContact O-CB 3.3Å; L233-F237 WeakPolarHBondContact O-CB 3.22Å; L233-F237 PolarHBondContact O-N 2.87Å; L233-F249 HydrophobicContact CB-CD1 3.94Å; L233-F249 HydrophobicContact CB-CE1 4.3Å; L233-V252 HydrophobicContact CD2-CB 4.29Å; L233-V252 HydrophobicContact CD2-CG1 3.87Å; L233-L253 HydrophobicContact CD1-CD1 4.31Å; L233-L253 HydrophobicContact CD2-CB 3.88Å; L233-L253 HydrophobicContact CD2-CD1 4.08Å; L233-L265 HydrophobicContact CD2-CD2 4.06Å; L233-L265 HydrophobicContact CG-CD2 4.1Å
234K76.3Confident75.6Confident25 Ų2560.2 Ų60.211%0.10933%0.334CS..Hα-helixtrans-59.7-49.1175.2-179.9-179.5174-179.20111.5E132 L174 T175 P230 D231 V232 F237 Q238E132-K234 IonicContact OE2-NZ 2.67Å; L174-K234 HydrophobicContact CB-CD 4.33Å; T175-K234 PolarHBondContact OG1-NZ 3.38Å; P230-K234 VanDerWaalsContact O-CB 3.24Å; P230-K234 WeakPolarHBondContact O-CB 3.35Å; P230-K234 PolarHBondContact O-N 2.95Å; D231-K234 PolarHBondContact O-N 2.86Å; V232-K234 PolarHBondContact O-N 3.24Å; K234-F237 PolarHBondContact O-N 3.27Å; K234-Q238 HydrophobicContact CG-CG 4.45Å; K234-Q238 WeakPolarHBondContact O-CB 3.43Å; K234-Q238 VanDerWaalsContact O-CG 3.26Å; K234-Q238 WeakPolarHBondContact O-CG 3.29Å; K234-Q238 PolarHBondContact O-N 3.35Å
235S69.9Low75.4Confident64 Ų6458 Ų5845%0.44833%0.325SS..Hα-helixtrans-58.9-50.3179.7-176.50000111.2D231 V232 F237 Q238 T239D231-S235 WeakPolarHBondContact O-CB 3.4Å; D231-S235 PolarHBondContact O-N 3.34Å; V232-S235 PolarHBondContact O-N 3.33Å; S235-F237 PolarHBondContact O-N 2.89Å; S235-Q238 PolarHBondContact O-N 3.48Å; S235-T239 WeakPolarHBondContact O-CG2 3.13Å; S235-T239 PolarHBondContact O-N 2.96Å; S235-T239 PolarHBondContact O-OG1 3.44Å; S235-T239 VanDerWaalsContact O-OG1 3.04Å
236R71Confident74.7Confident94 Ų9461.7 Ų61.736%0.35535%0.347SS..Hα-helixtrans-60.5-46178.7-70.3-68.4-168.8156.512.2112.4V232 Q238 T239 A240 V252 L256 E260V232-R236 HydrophobicContact CG1-CG 4.46Å; V232-R236 WeakPolarHBondContact O-CG 3.3Å; V232-R236 PolarHBondContact O-N 3.03Å; R236-Q238 VanDerWaalsContact C-N 3.33Å; R236-Q238 PolarHBondContact O-N 3.13Å; R236-T239 PolarHBondContact O-N 3.27Å; R236-T239 PolarHBondContact O-OG1 3.48Å; R236-A240 WeakPolarHBondContact O-CB 3.37Å; R236-A240 PolarHBondContact O-N 2.95Å; R236-V252 HydrophobicContact CB-CG1 3.62Å; R236-L256 HydrophobicContact CG-CD1 3.76Å; R236-E260 IonicContact CZ-OE1 3.25Å; R236-E260 IonicContact NH1-OE1 3.47Å; R236-E260 VanDerWaalsContact NH2-CD 3.25Å; R236-E260 IonicContact NH2-OE1 2.86Å; R236-E260 PolarHBondContact NH2-OE1 2.84Å; R236-E260 IonicContact NH2-OE2 2.93Å; R236-E260 PolarHBondContact NH2-OE2 3.31Å
237F72.6Confident74.1Confident71 Ų7164.4 Ų64.431%0.31136%0.36SS..Hα-helixtrans-59.5-43.7176.5-174.2-102.1000112L233 K234 S235 A240 Y245 F249 V252L233-F237 VanDerWaalsContact O-CB 3.3Å; L233-F237 WeakPolarHBondContact O-CB 3.22Å; L233-F237 PolarHBondContact O-N 2.87Å; K234-F237 PolarHBondContact O-N 3.27Å; S235-F237 PolarHBondContact O-N 2.89Å; F237-A240 PolarHBondContact O-N 3.13Å; F237-Y245 HydrophobicContact CD2-CD2 4.1Å; F237-Y245 HydrophobicContact CD2-CG 4.41Å; F237-F249 HydrophobicContact CB-CD1 4.42Å; F237-F249 HydrophobicContact CB-CE1 4.06Å; F237-F249 HydrophobicContact CG-CE1 4.37Å; F237-V252 HydrophobicContact CB-CG2 4.05Å; F237-V252 HydrophobicContact CD2-CG2 3.85Å; F237-V252 HydrophobicContact CG-CG2 4.46Å
238Q64Low73.8Confident105 Ų10565.1 Ų65.149%0.49137%0.368SS..Hα-helixtrans-72.3-27.7-179-72.9-178.5-1700113.7K234 S235 R236K234-Q238 HydrophobicContact CG-CG 4.45Å; K234-Q238 WeakPolarHBondContact O-CB 3.43Å; K234-Q238 VanDerWaalsContact O-CG 3.26Å; K234-Q238 WeakPolarHBondContact O-CG 3.29Å; K234-Q238 PolarHBondContact O-N 3.35Å; S235-Q238 PolarHBondContact O-N 3.48Å; R236-Q238 VanDerWaalsContact C-N 3.33Å; R236-Q238 PolarHBondContact O-N 3.13Å
239T63.5Low73.6Confident104 Ų10466.9 Ų66.964%0.63838%0.375SS*.Hα-helixtrans-86.4-9.8177.556.60000114.1S235 R236S235-T239 WeakPolarHBondContact O-CG2 3.13Å; S235-T239 PolarHBondContact O-N 2.96Å; S235-T239 PolarHBondContact O-OG1 3.44Å; S235-T239 VanDerWaalsContact O-OG1 3.04Å; R236-T239 PolarHBondContact O-N 3.27Å; R236-T239 PolarHBondContact O-OG1 3.48Å
240A68.8Low73.6Confident25 Ų2575.6 Ų75.621%0.20741%0.405CS..SBendtrans-77.9149.1-17500000112.3R236 F237 K244 Y245R236-A240 WeakPolarHBondContact O-CB 3.37Å; R236-A240 PolarHBondContact O-N 2.95Å; F237-A240 PolarHBondContact O-N 3.13Å; A240-K244 HydrophobicContact CB-CB 4.4Å; A240-K244 HydrophobicContact CB-CD 4.33Å; A240-Y245 HydrophobicContact CB-CD2 3.52Å; A240-Y245 HydrophobicContact CB-CE2 3.31Å
241P71.6Confident73.6Confident92 Ų9275.5 Ų75.560%0.59740%0.403SS*.PPolyproline II helixtrans-55.4144.1171.6-22.732.7000111.7G243 K244P241-G243 PolarHBondContact O-N 3.16Å; P241-K244 VanDerWaalsContact O-CB 3.32Å; P241-K244 WeakPolarHBondContact O-CB 3.35Å; P241-K244 PolarHBondContact O-N 3.33Å
242E68.1Low73.8Confident204 Ų20472.8 Ų72.895%0.95339%0.389SS*.THydrogen-bonded Turntrans-56.2129.5176.9-69.7-166.815900110.4
243G70.1Confident74.1Confident70 Ų7075.2 Ų75.272%0.72240%0.401SS*.THydrogen-bonded Turntrans86.4-7.2-178.200000116P241 Y245P241-G243 PolarHBondContact O-N 3.16Å; G243-Y245 VanDerWaalsContact C-N 3.27Å; G243-Y245 PolarHBondContact O-N 2.78Å
244K75.1Confident74.4Confident97 Ų9782.7 Ų82.742%0.42243%0.428SS..SBendtrans-62.1-33177.7-173.2179.3175.8-163.20113A240 P241 P246 E255A240-K244 HydrophobicContact CB-CB 4.4Å; A240-K244 HydrophobicContact CB-CD 4.33Å; P241-K244 VanDerWaalsContact O-CB 3.32Å; P241-K244 WeakPolarHBondContact O-CB 3.35Å; P241-K244 PolarHBondContact O-N 3.33Å; K244-P246 VanDerWaalsContact O-CD 3.3Å; K244-P246 WeakPolarHBondContact O-CD 3.42Å; K244-E255 WeakPolarHBondContact CE-OE2 3.49Å; K244-E255 IonicContact NZ-OE1 3.41Å; K244-E255 PolarHBondContact NZ-OE1 3.29Å; K244-E255 IonicContact NZ-OE2 2.74Å; K244-E255 PolarHBondContact NZ-OE2 2.67Å
245Y77.8Confident74.7Confident28 Ų2884 Ų8411%0.1143%0.434CS..  trans-120.676.1-175-64.1-54.2000112.5F237 A240 G243 N247 G248 D251 V252 E255F237-Y245 HydrophobicContact CD2-CD2 4.1Å; F237-Y245 HydrophobicContact CD2-CG 4.41Å; A240-Y245 HydrophobicContact CB-CD2 3.52Å; A240-Y245 HydrophobicContact CB-CE2 3.31Å; G243-Y245 VanDerWaalsContact C-N 3.27Å; G243-Y245 PolarHBondContact O-N 2.78Å; Y245-N247 VanDerWaalsContact C-N 3.31Å; Y245-N247 PolarHBondContact O-N 3.41Å; Y245-G248 PolarHBondContact O-N 2.86Å; Y245-G248 VanDerWaalsContact O-N 3.14Å; Y245-D251 HydrophobicContact CD1-CB 3.6Å; Y245-D251 HydrophobicContact CE1-CB 4.36Å; Y245-D251 HydrophobicContact CG-CB 4.43Å; Y245-V252 HydrophobicContact CD1-CG2 3.89Å; Y245-V252 HydrophobicContact CD2-CG2 3.49Å; Y245-V252 VanDerWaalsContact CD2-CG2 3.49Å; Y245-V252 HydrophobicContact CE1-CG2 4.06Å; Y245-V252 HydrophobicContact CE2-CG2 3.66Å; Y245-V252 HydrophobicContact CG-CG2 3.62Å; Y245-E255 WeakPolarHBondContact CE1-OE2 3.41Å; Y245-E255 VanDerWaalsContact CZ-OE2 3.26Å; Y245-E255 PolarHBondContact OH-OE1 3.23Å; Y245-E255 PolarHBondContact OH-OE2 3.3Å
246P71Confident75.3Confident106 Ų10681.3 Ų81.369%0.68841%0.414SS*.THydrogen-bonded Turntrans-64.4-30.4-176.725.5-33.6000113.5K244 D251K244-P246 VanDerWaalsContact O-CD 3.3Å; K244-P246 WeakPolarHBondContact O-CD 3.42Å; P246-D251 WeakPolarHBondContact CD-OD2 3.34Å
247N74.6Confident76Confident110 Ų11079.8 Ų79.859%0.58842%0.415SS*.THydrogen-bonded Turntrans-9615.8176.3-45.1-65.4000113.1Y245 D251Y245-N247 VanDerWaalsContact C-N 3.31Å; Y245-N247 PolarHBondContact O-N 3.41Å; N247-D251 WeakPolarHBondContact CA-OD2 3.48Å; N247-D251 WeakPolarHBondContact CB-OD1 3.2Å; N247-D251 WeakPolarHBondContact CB-OD2 3.47Å; N247-D251 PolarHBondContact N-OD2 3.01Å; N247-D251 VanDerWaalsContact ND2-CG 3.34Å; N247-D251 PolarHBondContact ND2-OD1 3.46Å; N247-D251 PolarHBondContact ND2-OD2 3.47Å
248G77.9Confident76.6Confident19 Ų1986.8 Ų86.820%0.19644%0.44CS..THydrogen-bonded Turntrans67.4-136.9175.900000113.6Y245 R250 D251 V252Y245-G248 PolarHBondContact O-N 2.86Å; Y245-G248 VanDerWaalsContact O-N 3.14Å; G248-R250 PolarHBondContact O-N 3.06Å; G248-R250 VanDerWaalsContact O-N 3.15Å; G248-D251 PolarHBondContact O-N 3.11Å; G248-V252 PolarHBondContact O-N 3.09Å
249F77.7Confident77.5Confident42 Ų4288.4 Ų88.418%0.18445%0.448CS..Hα-helixtrans-61-24.4-175.5-69.5-63.9000115.5L174 M177 L233 F237 D251 V252 L253L174-F249 HydrophobicContact CB-CZ 4.4Å; L174-F249 HydrophobicContact CD1-CZ 4.07Å; L174-F249 HydrophobicContact CD2-CD2 4.5Å; L174-F249 HydrophobicContact CD2-CE2 3.19Å; L174-F249 HydrophobicContact CD2-CZ 3.28Å; L174-F249 HydrophobicContact CG-CE2 4.42Å; L174-F249 HydrophobicContact CG-CZ 4.1Å; M177-F249 HydrophobicContact CE-CD2 4.07Å; M177-F249 HydrophobicContact CE-CE2 4.15Å; M177-F249 HydrophobicContact SD-CD2 4.16Å; M177-F249 HydrophobicContact SD-CE2 4.16Å; L233-F249 HydrophobicContact CB-CD1 3.94Å; L233-F249 HydrophobicContact CB-CE1 4.3Å; F237-F249 HydrophobicContact CB-CD1 4.42Å; F237-F249 HydrophobicContact CB-CE1 4.06Å; F237-F249 HydrophobicContact CG-CE1 4.37Å; F249-D251 VanDerWaalsContact C-N 3.31Å; F249-V252 PolarHBondContact O-N 3.46Å; F249-L253 VanDerWaalsContact O-CB 3.24Å; F249-L253 WeakPolarHBondContact O-CB 3.29Å; F249-L253 PolarHBondContact O-N 2.66Å
250R82.2Confident78Confident205 Ų20587 Ų8777%0.77443%0.433SS*.Hα-helixtrans-66.4-38.9-179.9-69.7-179174.9178-1.4111G248 R254G248-R250 PolarHBondContact O-N 3.06Å; G248-R250 VanDerWaalsContact O-N 3.15Å; R250-R254 VanDerWaalsContact O-CB 3.27Å; R250-R254 WeakPolarHBondContact O-CB 3.3Å; R250-R254 PolarHBondContact O-N 3.27Å
251D82.5Confident78.6Confident25 Ų2587.2 Ų87.213%0.13444%0.438CS..Hα-helixtrans-70.1-43177.1-66.2-19.8000110.7Y245 P246 N247 G248 F249 L253 R254 E255Y245-D251 HydrophobicContact CD1-CB 3.6Å; Y245-D251 HydrophobicContact CE1-CB 4.36Å; Y245-D251 HydrophobicContact CG-CB 4.43Å; P246-D251 WeakPolarHBondContact CD-OD2 3.34Å; N247-D251 WeakPolarHBondContact CA-OD2 3.48Å; N247-D251 WeakPolarHBondContact CB-OD1 3.2Å; N247-D251 WeakPolarHBondContact CB-OD2 3.47Å; N247-D251 PolarHBondContact N-OD2 3.01Å; N247-D251 VanDerWaalsContact ND2-CG 3.34Å; N247-D251 PolarHBondContact ND2-OD1 3.46Å; N247-D251 PolarHBondContact ND2-OD2 3.47Å; G248-D251 PolarHBondContact O-N 3.11Å; F249-D251 VanDerWaalsContact C-N 3.31Å; D251-L253 PolarHBondContact O-N 3.44Å; D251-R254 PolarHBondContact O-N 2.89Å; D251-E255 WeakPolarHBondContact O-CB 3.35Å; D251-E255 PolarHBondContact O-N 2.91Å
252V79.7Confident79.1Confident1 Ų189 Ų891%0.00644%0.442CS..Hα-helixtrans-58.6-49.6174.9-175.10000110.6L233 R236 F237 Y245 G248 F249 R254 E255 L256L233-V252 HydrophobicContact CD2-CB 4.29Å; L233-V252 HydrophobicContact CD2-CG1 3.87Å; R236-V252 HydrophobicContact CB-CG1 3.62Å; F237-V252 HydrophobicContact CB-CG2 4.05Å; F237-V252 HydrophobicContact CD2-CG2 3.85Å; F237-V252 HydrophobicContact CG-CG2 4.46Å; Y245-V252 HydrophobicContact CD1-CG2 3.89Å; Y245-V252 HydrophobicContact CD2-CG2 3.49Å; Y245-V252 VanDerWaalsContact CD2-CG2 3.49Å; Y245-V252 HydrophobicContact CE1-CG2 4.06Å; Y245-V252 HydrophobicContact CE2-CG2 3.66Å; Y245-V252 HydrophobicContact CG-CG2 3.62Å; G248-V252 PolarHBondContact O-N 3.09Å; F249-V252 PolarHBondContact O-N 3.46Å; V252-R254 VanDerWaalsContact C-N 3.34Å; V252-R254 PolarHBondContact O-N 2.92Å; V252-E255 PolarHBondContact O-N 3.22Å; V252-L256 VanDerWaalsContact O-CB 3.24Å; V252-L256 WeakPolarHBondContact O-CB 3.46Å; V252-L256 PolarHBondContact O-N 3.21Å
253L83.7Confident79.3Confident71 Ų7181.8 Ų81.837%0.37242%0.422SS..Hα-helixtrans-61.3-43179.717964.3000111.4L233 F249 D251 L256 V257 L265L233-L253 HydrophobicContact CD1-CD1 4.31Å; L233-L253 HydrophobicContact CD2-CB 3.88Å; L233-L253 HydrophobicContact CD2-CD1 4.08Å; F249-L253 VanDerWaalsContact O-CB 3.24Å; F249-L253 WeakPolarHBondContact O-CB 3.29Å; F249-L253 PolarHBondContact O-N 2.66Å; D251-L253 PolarHBondContact O-N 3.44Å; L253-L256 PolarHBondContact O-N 3.31Å; L253-V257 HydrophobicContact CD1-CG2 3.98Å; L253-V257 HydrophobicContact CG-CG2 4.48Å; L253-V257 WeakPolarHBondContact O-CB 3.45Å; L253-V257 VanDerWaalsContact O-CG2 3.24Å; L253-V257 WeakPolarHBondContact O-CG2 3.13Å; L253-V257 PolarHBondContact O-N 2.59Å; L253-L265 HydrophobicContact CD1-CD1 4.08Å; L253-L265 HydrophobicContact CD1-CD2 3.91Å
254R85.3Confident79.5Confident179 Ų17978.5 Ų78.568%0.67539%0.388SS*.Hα-helixtrans-64.9-45.9178.9-176.6-177.1-72.8174.5-4.5111.7R250 D251 V252 R258R250-R254 VanDerWaalsContact O-CB 3.27Å; R250-R254 WeakPolarHBondContact O-CB 3.3Å; R250-R254 PolarHBondContact O-N 3.27Å; D251-R254 PolarHBondContact O-N 2.89Å; V252-R254 VanDerWaalsContact C-N 3.34Å; V252-R254 PolarHBondContact O-N 2.92Å; R254-R258 WeakPolarHBondContact O-CB 3.39Å; R254-R258 PolarHBondContact O-N 3.18Å
255E82.3Confident79.8Confident51 Ų5174.8 Ų74.824%0.23837%0.373CS..Hα-helixtrans-60.6-50.3175.3-174.3177.8141.600110.1K244 Y245 D251 V252 V257 R258 E259K244-E255 WeakPolarHBondContact CE-OE2 3.49Å; K244-E255 IonicContact NZ-OE1 3.41Å; K244-E255 PolarHBondContact NZ-OE1 3.29Å; K244-E255 IonicContact NZ-OE2 2.74Å; K244-E255 PolarHBondContact NZ-OE2 2.67Å; Y245-E255 WeakPolarHBondContact CE1-OE2 3.41Å; Y245-E255 VanDerWaalsContact CZ-OE2 3.26Å; Y245-E255 PolarHBondContact OH-OE1 3.23Å; Y245-E255 PolarHBondContact OH-OE2 3.3Å; D251-E255 WeakPolarHBondContact O-CB 3.35Å; D251-E255 PolarHBondContact O-N 2.91Å; V252-E255 PolarHBondContact O-N 3.22Å; E255-V257 PolarHBondContact O-N 3.41Å; E255-R258 PolarHBondContact O-N 3.45Å; E255-E259 HydrophobicContact CG-CG 4.17Å; E255-E259 WeakPolarHBondContact O-CB 3.31Å; E255-E259 WeakPolarHBondContact O-CG 3.48Å; E255-E259 PolarHBondContact O-N 3.27Å
256L81.1Confident79.9Confident8 Ų879 Ų794%0.04239%0.389CS..Hα-helixtrans-59.2-45.4-177.4-147.6102.4000112.3V232 R236 V252 L253 E260 G261 S264 L265V232-L256 HydrophobicContact CG1-CD1 4.37Å; V232-L256 HydrophobicContact CG1-CD2 4.02Å; R236-L256 HydrophobicContact CG-CD1 3.76Å; V252-L256 VanDerWaalsContact O-CB 3.24Å; V252-L256 WeakPolarHBondContact O-CB 3.46Å; V252-L256 PolarHBondContact O-N 3.21Å; L253-L256 PolarHBondContact O-N 3.31Å; L256-E260 CarbonylContact O-C 3.53Å; L256-E260 WeakPolarHBondContact O-CA 3.01Å; L256-E260 WeakPolarHBondContact O-CB 3.28Å; L256-E260 PolarHBondContact O-N 3.25Å; L256-G261 PolarHBondContact O-N 2.96Å; L256-S264 WeakPolarHBondContact CD2-OG 3.31Å; L256-S264 VanDerWaalsContact CG-OG 3.28Å; L256-S264 WeakPolarHBondContact CG-OG 3.41Å; L256-S264 PolarHBondContact O-OG 3.39Å; L256-L265 HydrophobicContact CD2-CD2 3.49Å; L256-L265 VanDerWaalsContact CD2-CD2 3.49Å; L256-L265 HydrophobicContact CD2-CG 3.88Å
257V85.6Confident79.9Confident62 Ų6279.6 Ų79.638%0.37638%0.381SS..Hα-helixtrans-71.2-36.9179.8173.40000111.4L253 E255 G261L253-V257 HydrophobicContact CD1-CG2 3.98Å; L253-V257 HydrophobicContact CG-CG2 4.48Å; L253-V257 WeakPolarHBondContact O-CB 3.45Å; L253-V257 VanDerWaalsContact O-CG2 3.24Å; L253-V257 WeakPolarHBondContact O-CG2 3.13Å; L253-V257 PolarHBondContact O-N 2.59Å; E255-V257 PolarHBondContact O-N 3.41Å; V257-G261 VanDerWaalsContact O-CA 3.25Å; V257-G261 WeakPolarHBondContact O-CA 3.46Å; V257-G261 PolarHBondContact O-N 2.88Å
258R85.9Confident79.6Confident218 Ų21876.4 Ų76.482%0.82337%0.374SS*.Hα-helixtrans-75.5-39.5-178.8-173.5178.7-178.6-177.40.5112.8R254 E255R254-R258 WeakPolarHBondContact O-CB 3.39Å; R254-R258 PolarHBondContact O-N 3.18Å; E255-R258 PolarHBondContact O-N 3.45Å
259E82.4Confident79.5Confident140 Ų14078.3 Ų78.365%0.65438%0.377SS*.Hα-helixtrans-93.8-38.1-173.8-63.6-171.6176.200112.9E255E255-E259 HydrophobicContact CG-CG 4.17Å; E255-E259 WeakPolarHBondContact O-CB 3.31Å; E255-E259 WeakPolarHBondContact O-CG 3.48Å; E255-E259 PolarHBondContact O-N 3.27Å
260E74.3Confident79.3Confident73 Ų7382.6 Ų82.634%0.34140%0.402SS..Hα-helixtrans-114.9-3.8-174.2-55-171.8174.700113.5R236 L256 S264 K267R236-E260 IonicContact CZ-OE1 3.25Å; R236-E260 IonicContact NH1-OE1 3.47Å; R236-E260 VanDerWaalsContact NH2-CD 3.25Å; R236-E260 IonicContact NH2-OE1 2.86Å; R236-E260 PolarHBondContact NH2-OE1 2.84Å; R236-E260 IonicContact NH2-OE2 2.93Å; R236-E260 PolarHBondContact NH2-OE2 3.31Å; L256-E260 CarbonylContact O-C 3.53Å; L256-E260 WeakPolarHBondContact O-CA 3.01Å; L256-E260 WeakPolarHBondContact O-CB 3.28Å; L256-E260 PolarHBondContact O-N 3.25Å; E260-S264 VanDerWaalsContact CB-CB 3.45Å; E260-S264 WeakPolarHBondContact OE2-CB 3.33Å; E260-K267 IonicContact OE1-NZ 3.14Å; E260-K267 IonicContact OE2-NZ 3.36Å; E260-K267 PolarHBondContact OE2-NZ 2.87Å
261G81.8Confident78.7Confident30 Ų3076.1 Ų76.131%0.30939%0.392SS..  trans75.5172.4-178.300000114L256 V257 G263 S264L256-G261 PolarHBondContact O-N 2.96Å; V257-G261 VanDerWaalsContact O-CA 3.25Å; V257-G261 WeakPolarHBondContact O-CA 3.46Å; V257-G261 PolarHBondContact O-N 2.88Å; G261-G263 VanDerWaalsContact C-N 3.27Å; G261-G263 PolarHBondContact O-N 3.34Å; G261-S264 WeakPolarHBondContact O-CB 3.43Å; G261-S264 PolarHBondContact O-N 2.95Å; G261-S264 PolarHBondContact O-OG 3.41Å
262I81.4Confident78.3Confident130 Ų13076.2 Ų76.267%0.66739%0.394SS*.G310 helixtrans-67.3-26.1-174.8-149.8163.8000113.6S264 L265I262-S264 PolarHBondContact O-N 3.05Å; I262-L265 HydrophobicContact CG1-CD1 4.22Å; I262-L265 PolarHBondContact O-N 2.97Å
263G73.3Confident78Confident53 Ų5377.8 Ų77.855%0.54640%0.401SS..G310 helixtrans-66.4-18.6176.800000113.5G261 L265 Y266G261-G263 VanDerWaalsContact C-N 3.27Å; G261-G263 PolarHBondContact O-N 3.34Å; G263-L265 PolarHBondContact O-N 3.47Å; G263-Y266 PolarHBondContact O-N 3.31Å; G263-Y266 VanDerWaalsContact O-N 3.16Å
264S75Confident77.6Confident1 Ų180.9 Ų80.91%0.00742%0.418CS..G310 helixtrans-64.4-27.5176.565.90000113.2L256 E260 G261 I262 Y266 K267L256-S264 WeakPolarHBondContact CD2-OG 3.31Å; L256-S264 VanDerWaalsContact CG-OG 3.28Å; L256-S264 WeakPolarHBondContact CG-OG 3.41Å; L256-S264 PolarHBondContact O-OG 3.39Å; E260-S264 VanDerWaalsContact CB-CB 3.45Å; E260-S264 WeakPolarHBondContact OE2-CB 3.33Å; G261-S264 WeakPolarHBondContact O-CB 3.43Å; G261-S264 PolarHBondContact O-N 2.95Å; G261-S264 PolarHBondContact O-OG 3.41Å; I262-S264 PolarHBondContact O-N 3.05Å; S264-Y266 PolarHBondContact O-N 3.35Å; S264-K267 WeakPolarHBondContact O-CB 3.26Å; S264-K267 WeakPolarHBondContact O-CG 3.24Å; S264-K267 PolarHBondContact O-N 3.48Å; S264-K267 VanDerWaalsContact O-N 3.13Å
265L79.6Confident77Confident19 Ų1976.2 Ų76.210%0.09940%0.4CS..G310 helixtrans-64.2-20.4175.8-69.4170.1000113I228 P229 V232 L233 L253 L256 I262 G263I228-L265 VanDerWaalsContact CG2-O 3.31Å; I228-L265 WeakPolarHBondContact CG2-O 3.35Å; P229-L265 WeakPolarHBondContact CA-O 3.44Å; P229-L265 HydrophobicContact CB-CB 4.18Å; P229-L265 HydrophobicContact CB-CD2 4.44Å; P229-L265 HydrophobicContact CG-CB 4.49Å; V232-L265 WeakPolarHBondContact CG2-O 3.24Å; L233-L265 HydrophobicContact CD2-CD2 4.06Å; L233-L265 HydrophobicContact CG-CD2 4.1Å; L253-L265 HydrophobicContact CD1-CD1 4.08Å; L253-L265 HydrophobicContact CD1-CD2 3.91Å; L256-L265 HydrophobicContact CD2-CD2 3.49Å; L256-L265 VanDerWaalsContact CD2-CD2 3.49Å; L256-L265 HydrophobicContact CD2-CG 3.88Å; I262-L265 HydrophobicContact CG1-CD1 4.22Å; I262-L265 PolarHBondContact O-N 2.97Å; G263-L265 PolarHBondContact O-N 3.47Å
266Y80.4Confident76.6Confident116 Ų11674.4 Ų74.446%0.45539%0.394SS..G310 helixtrans-105.512.1178.4-68.9-88.9000113.2A225 I228 P229 G263 S264 G268 F269A225-Y266 WeakPolarHBondContact O-CE1 3.48Å; I228-Y266 HydrophobicContact CG2-CD1 4.22Å; P229-Y266 HydrophobicContact CG-CE1 4Å; P229-Y266 HydrophobicContact CG-CE2 4.16Å; G263-Y266 PolarHBondContact O-N 3.31Å; G263-Y266 VanDerWaalsContact O-N 3.16Å; S264-Y266 PolarHBondContact O-N 3.35Å; Y266-G268 PolarHBondContact O-N 2.81Å; Y266-G268 VanDerWaalsContact O-N 3.11Å; Y266-F269 HydrophobicContact CD1-CD2 4.37Å; Y266-F269 VanDerWaalsContact O-CB 3.29Å; Y266-F269 WeakPolarHBondContact O-CB 3.24Å; Y266-F269 PolarHBondContact O-N 3.2Å
267K70.3Confident76.4Confident118 Ų11881.6 Ų81.651%0.51343%0.425SS..THydrogen-bonded Turntrans-58.6118.3173.3-81.7176.5176.9-179.90109.8E260 S264E260-K267 IonicContact OE1-NZ 3.14Å; E260-K267 IonicContact OE2-NZ 3.36Å; E260-K267 PolarHBondContact OE2-NZ 2.87Å; S264-K267 WeakPolarHBondContact O-CB 3.26Å; S264-K267 WeakPolarHBondContact O-CG 3.24Å; S264-K267 PolarHBondContact O-N 3.48Å; S264-K267 VanDerWaalsContact O-N 3.13Å
268G69.6Low76Confident43 Ų4381.7 Ų81.744%0.44343%0.427SS..THydrogen-bonded Turntrans107.1-9.7-176.600000114.7Y266 N270 A271 V272Y266-G268 PolarHBondContact O-N 2.81Å; Y266-G268 VanDerWaalsContact O-N 3.11Å; G268-N270 PolarHBondContact O-N 3.37Å; G268-A271 WeakPolarHBondContact O-CB 3.39Å; G268-A271 PolarHBondContact O-N 3.19Å; G268-A271 VanDerWaalsContact O-N 3.09Å; G268-V272 WeakPolarHBondContact O-CG2 3.46Å; G268-V272 PolarHBondContact O-N 2.95Å
269F75.1Confident75.6Confident60 Ų6071.6 Ų71.626%0.26339%0.39SS..Hα-helixtrans-52.7-49.9178.7-176.6-90.4000112.7A225 I228 Y266 A271 V272 M273A225-F269 HydrophobicContact CB-CE2 4.32Å; I228-F269 HydrophobicContact CD1-CB 4.03Å; I228-F269 HydrophobicContact CD1-CD2 3.47Å; I228-F269 VanDerWaalsContact CD1-CD2 3.47Å; I228-F269 HydrophobicContact CD1-CE2 4.34Å; I228-F269 HydrophobicContact CD1-CG 4.17Å; Y266-F269 HydrophobicContact CD1-CD2 4.37Å; Y266-F269 VanDerWaalsContact O-CB 3.29Å; Y266-F269 WeakPolarHBondContact O-CB 3.24Å; Y266-F269 PolarHBondContact O-N 3.2Å; F269-A271 VanDerWaalsContact C-N 3.29Å; F269-A271 PolarHBondContact O-N 2.96Å; F269-V272 PolarHBondContact O-N 3.25Å; F269-V272 VanDerWaalsContact O-N 3.13Å; F269-M273 HydrophobicContact CD1-CG 3.83Å; F269-M273 HydrophobicContact CD2-CE 4.5Å; F269-M273 HydrophobicContact CE1-CG 3.42Å; F269-M273 VanDerWaalsContact CE1-CG 3.42Å; F269-M273 HydrophobicContact CE1-SD 4.32Å; F269-M273 HydrophobicContact CE2-CE 4Å; F269-M273 HydrophobicContact CE2-CG 4.25Å; F269-M273 HydrophobicContact CE2-SD 4.4Å; F269-M273 HydrophobicContact CG-CG 4.41Å; F269-M273 HydrophobicContact CZ-CE 4.15Å; F269-M273 HydrophobicContact CZ-CG 3.64Å; F269-M273 HydrophobicContact CZ-SD 3.94Å; F269-M273 WeakPolarHBondContact O-CG 3.24Å; F269-M273 PolarHBondContact O-N 3.42Å
270N72.9Confident75.4Confident132 Ų13266.9 Ų66.971%0.70637%0.369SS*.Hα-helixtrans-59.2-39.6179.3-68-11000112.5G268 M273 L274G268-N270 PolarHBondContact O-N 3.37Å; N270-M273 PolarHBondContact O-N 2.93Å; N270-L274 WeakPolarHBondContact O-CB 3.33Å; N270-L274 PolarHBondContact O-N 2.86Å
271A70.1Confident75.6Confident69 Ų6965.5 Ų65.557%0.5737%0.371SS*.Hα-helixtrans-68.1-38.4178.600000111.7G268 F269 R275G268-A271 WeakPolarHBondContact O-CB 3.39Å; G268-A271 PolarHBondContact O-N 3.19Å; G268-A271 VanDerWaalsContact O-N 3.09Å; F269-A271 VanDerWaalsContact C-N 3.29Å; F269-A271 PolarHBondContact O-N 2.96Å; A271-R275 WeakPolarHBondContact O-CB 3.38Å; A271-R275 PolarHBondContact O-N 3.37Å
272V73.6Confident75.7Confident27 Ų2765.2 Ų65.216%0.16437%0.365CS..Hα-helixtrans-66.8-44.1175.81780000110.7W224 I228 G268 F269 R275 A276W224-V272 HydrophobicContact CB-CG1 4.03Å; W224-V272 HydrophobicContact CD2-CG1 3.54Å; W224-V272 HydrophobicContact CE3-CG1 3.87Å; W224-V272 HydrophobicContact CE3-CG2 4.48Å; W224-V272 HydrophobicContact CG-CG1 3.59Å; I228-V272 HydrophobicContact CD1-CG2 4.46Å; G268-V272 WeakPolarHBondContact O-CG2 3.46Å; G268-V272 PolarHBondContact O-N 2.95Å; F269-V272 PolarHBondContact O-N 3.25Å; F269-V272 VanDerWaalsContact O-N 3.13Å; V272-R275 PolarHBondContact O-N 2.78Å; V272-A276 WeakPolarHBondContact O-CB 3.41Å; V272-A276 PolarHBondContact O-N 2.99Å
273M74.8Confident75.7Confident33 Ų3360 Ų6016%0.16334%0.34CS..Hα-helixtrans-66-43.8178.7-68.1-55.3113.900112.5I221 W224 F269 N270 R275 A276 F277I221-M273 HydrophobicContact CB-SD 4.17Å; I221-M273 HydrophobicContact CD1-SD 4.4Å; I221-M273 HydrophobicContact CG1-SD 3.86Å; I221-M273 HydrophobicContact CG2-CE 4.22Å; I221-M273 HydrophobicContact CG2-SD 3.63Å; W224-M273 HydrophobicContact CB-CE 3.82Å; F269-M273 HydrophobicContact CD1-CG 3.83Å; F269-M273 HydrophobicContact CD2-CE 4.5Å; F269-M273 HydrophobicContact CE1-CG 3.42Å; F269-M273 VanDerWaalsContact CE1-CG 3.42Å; F269-M273 HydrophobicContact CE1-SD 4.32Å; F269-M273 HydrophobicContact CE2-CE 4Å; F269-M273 HydrophobicContact CE2-CG 4.25Å; F269-M273 HydrophobicContact CE2-SD 4.4Å; F269-M273 HydrophobicContact CG-CG 4.41Å; F269-M273 HydrophobicContact CZ-CE 4.15Å; F269-M273 HydrophobicContact CZ-CG 3.64Å; F269-M273 HydrophobicContact CZ-SD 3.94Å; F269-M273 WeakPolarHBondContact O-CG 3.24Å; F269-M273 PolarHBondContact O-N 3.42Å; N270-M273 PolarHBondContact O-N 2.93Å; M273-R275 PolarHBondContact O-N 3.37Å; M273-A276 PolarHBondContact O-N 3.16Å; M273-A276 VanDerWaalsContact O-N 3.14Å; M273-F277 PolarHBondContact O-N 3.22Å; M273-F277 VanDerWaalsContact O-N 3.1Å
274L74.6Confident75.9Confident137 Ų13759.7 Ų59.772%0.71732%0.324SS*.Hα-helixtrans-62.2-31177.3-172.866.4000112.1N270 P278N270-L274 WeakPolarHBondContact O-CB 3.33Å; N270-L274 PolarHBondContact O-N 2.86Å; L274-P278 WeakPolarHBondContact O-CD 3.3Å; L274-P278 WeakPolarHBondContact O-CG 3.46Å
275R73.9Confident76.3Confident80 Ų8064.8 Ų64.830%0.30235%0.35SS..Hα-helixtrans-76.6-41172.6-168.6-16682.4103.59.7112.4L31 D32 A271 V272 M273 F277 P278 A279L31-R275 HydrophobicContact CD1-CG 4.31Å; D32-R275 IonicContact OD1-CZ 2.76Å; D32-R275 IonicContact OD1-NH1 3.46Å; D32-R275 PolarHBondContact OD1-NH1 2.9Å; D32-R275 IonicContact OD2-NH1 3.77Å; D32-R275 PolarHBondContact OD2-NH1 3.47Å; D32-R275 VanDerWaalsContact OD2-NH1 3.14Å; A271-R275 WeakPolarHBondContact O-CB 3.38Å; A271-R275 PolarHBondContact O-N 3.37Å; V272-R275 PolarHBondContact O-N 2.78Å; M273-R275 PolarHBondContact O-N 3.37Å; R275-F277 VanDerWaalsContact C-N 3.31Å; R275-F277 PolarHBondContact O-N 2.86Å; R275-P278 WeakPolarHBondContact O-CD 3.4Å; R275-A279 WeakPolarHBondContact O-CB 3.49Å; R275-A279 PolarHBondContact O-N 3.4Å
276A72.6Confident76.5Confident13 Ų1363.9 Ų63.911%0.10735%0.346CS..Hα-helixtrans-64.5-37.2-175.500000111.9V272 M273 A279 N280V272-A276 WeakPolarHBondContact O-CB 3.41Å; V272-A276 PolarHBondContact O-N 2.99Å; M273-A276 PolarHBondContact O-N 3.16Å; M273-A276 VanDerWaalsContact O-N 3.14Å; A276-A279 PolarHBondContact O-N 2.87Å; A276-N280 VanDerWaalsContact O-CB 3.25Å; A276-N280 WeakPolarHBondContact O-CB 3.24Å; A276-N280 PolarHBondContact O-N 3.3Å; A276-N280 PolarHBondContact O-ND2 3.48Å
277F76.9Confident76.5Confident160 Ų16058.9 Ų58.970%0.70233%0.326SS*.Hα-helixtrans-62.8-54.2-177.2-177.9-87.7000113.5M273 R275 A279 N280 A281M273-F277 PolarHBondContact O-N 3.22Å; M273-F277 VanDerWaalsContact O-N 3.1Å; R275-F277 VanDerWaalsContact C-N 3.31Å; R275-F277 PolarHBondContact O-N 2.86Å; F277-A279 PolarHBondContact O-N 3.44Å; F277-N280 PolarHBondContact O-N 2.96Å; F277-A281 WeakPolarHBondContact O-CB 3.27Å; F277-A281 PolarHBondContact O-N 3.39Å
278P78.2Confident77Confident64 Ų6457.6 Ų57.642%0.41632%0.322SS..Hα-helixtrans-62-38.9176.1-23.833.9000113.6L274 R275 A281 A282L274-P278 WeakPolarHBondContact O-CD 3.3Å; L274-P278 WeakPolarHBondContact O-CG 3.46Å; R275-P278 WeakPolarHBondContact O-CD 3.4Å; P278-A281 PolarHBondContact O-N 2.84Å; P278-A282 WeakPolarHBondContact O-CB 3.42Å; P278-A282 PolarHBondContact O-N 3.29Å
279A76.4Confident77.7Confident6 Ų660.1 Ų60.15%0.0533%0.325CS..Hα-helixtrans-64.5-43.7179.500000111.5L24 R275 A276 F277 C283L24-A279 HydrophobicContact CG-CB 4.32Å; R275-A279 WeakPolarHBondContact O-CB 3.49Å; R275-A279 PolarHBondContact O-N 3.4Å; A276-A279 PolarHBondContact O-N 2.87Å; F277-A279 PolarHBondContact O-N 3.44Å; A279-C283 PolarHBondContact O-N 2.97Å; A279-C283 VanDerWaalsContact O-N 3.14Å
280N77.9Confident78Confident40 Ų4057.8 Ų57.821%0.21432%0.317CS..Hα-helixtrans-65.9-46.6175-71-19.2000110.7A276 F277 A282 C283 F284A276-N280 VanDerWaalsContact O-CB 3.25Å; A276-N280 WeakPolarHBondContact O-CB 3.24Å; A276-N280 PolarHBondContact O-N 3.3Å; A276-N280 PolarHBondContact O-ND2 3.48Å; F277-N280 PolarHBondContact O-N 2.96Å; N280-A282 VanDerWaalsContact C-N 3.31Å; N280-A282 PolarHBondContact O-N 3.37Å; N280-C283 WeakPolarHBondContact O-CA 3.4Å; N280-C283 WeakPolarHBondContact O-CB 3.33Å; N280-C283 PolarHBondContact O-N 2.62Å; N280-F284 HydrophobicContact CB-CE2 4.21Å; N280-F284 WeakPolarHBondContact O-CD2 3.19Å; N280-F284 PolarHBondContact O-N 3.3Å
281A79.9Confident78.4Confident45 Ų4552.1 Ų52.137%0.37229%0.286SS..Hα-helixtrans-56.3-42.9177.700000112.6F277 P278 C283 F284 L285F277-A281 WeakPolarHBondContact O-CB 3.27Å; F277-A281 PolarHBondContact O-N 3.39Å; P278-A281 PolarHBondContact O-N 2.84Å; A281-C283 VanDerWaalsContact C-N 3.32Å; A281-C283 PolarHBondContact O-N 2.9Å; A281-F284 PolarHBondContact O-N 3.26Å; A281-L285 WeakPolarHBondContact O-CB 3.44Å; A281-L285 PolarHBondContact O-N 2.88Å
282A83.4Confident79Confident24 Ų2455.3 Ų55.320%0.19829%0.287CS..Hα-helixtrans-64.4-3517500000112.8C23 A27 P278 N280 G286C23-A282 WeakPolarHBondContact CB-O 3.4Å; A27-A282 HydrophobicContact CB-CB 3.33Å; P278-A282 WeakPolarHBondContact O-CB 3.42Å; P278-A282 PolarHBondContact O-N 3.29Å; N280-A282 VanDerWaalsContact C-N 3.31Å; N280-A282 PolarHBondContact O-N 3.37Å; A282-G286 PolarHBondContact O-N 2.93Å
283C80.2Confident79.5Confident19 Ų1959.4 Ų59.413%0.12830%0.303CS..Hα-helixtrans-61.8-49.9173.2-167.60000111.7G20 L24 A279 N280 A281 L285 G286 F287G20-C283 VanDerWaalsContact C-SG 3.59Å; G20-C283 PolarHBondContact O-SG 3Å; L24-C283 HydrophobicContact CB-CB 3.94Å; L24-C283 HydrophobicContact CD1-CB 3.95Å; L24-C283 HydrophobicContact CG-CB 4.42Å; A279-C283 PolarHBondContact O-N 2.97Å; A279-C283 VanDerWaalsContact O-N 3.14Å; N280-C283 WeakPolarHBondContact O-CA 3.4Å; N280-C283 WeakPolarHBondContact O-CB 3.33Å; N280-C283 PolarHBondContact O-N 2.62Å; A281-C283 VanDerWaalsContact C-N 3.32Å; A281-C283 PolarHBondContact O-N 2.9Å; C283-L285 PolarHBondContact O-N 3.5Å; C283-G286 PolarHBondContact O-N 3.36Å; C283-F287 WeakPolarHBondContact O-CB 3.45Å; C283-F287 PolarHBondContact O-N 3.3Å
284F79Confident79.8Confident47 Ų4759 Ų5921%0.20630%0.302CS..Hα-helixtrans-60.6-46.4178-72.2-80.6000111.9L213 F214 N280 A281 F287 E288L213-F284 HydrophobicContact CB-CD1 3.64Å; L213-F284 HydrophobicContact CB-CE1 3.08Å; L213-F284 HydrophobicContact CB-CZ 3.69Å; L213-F284 HydrophobicContact CD1-CD1 4.01Å; L213-F284 HydrophobicContact CD1-CE1 4.32Å; L213-F284 HydrophobicContact CG-CD1 4.5Å; L213-F284 HydrophobicContact CG-CE1 4.32Å; L213-F284 VanDerWaalsContact O-CZ 3.27Å; L213-F284 WeakPolarHBondContact O-CZ 3.36Å; F214-F284 HydrophobicContact CB-CE1 4.25Å; F214-F284 HydrophobicContact CB-CZ 4.22Å; F214-F284 VanDerWaalsContact N-CE1 3.27Å; F214-F284 VanDerWaalsContact N-CZ 3.29Å; N280-F284 HydrophobicContact CB-CE2 4.21Å; N280-F284 WeakPolarHBondContact O-CD2 3.19Å; N280-F284 PolarHBondContact O-N 3.3Å; A281-F284 PolarHBondContact O-N 3.26Å; F284-F287 PolarHBondContact O-N 3.47Å; F284-E288 PolarHBondContact O-N 2.85Å
285L83.3Confident80.2Confident108 Ų10856.2 Ų56.257%0.56529%0.287SS*.Hα-helixtrans-63.6-44.8179.6-176.3144.4000111.1A281 C283 F287 E288 L289A281-L285 WeakPolarHBondContact O-CB 3.44Å; A281-L285 PolarHBondContact O-N 2.88Å; C283-L285 PolarHBondContact O-N 3.5Å; L285-F287 VanDerWaalsContact C-N 3.35Å; L285-F287 PolarHBondContact O-N 3.48Å; L285-E288 PolarHBondContact O-N 3.44Å; L285-L289 HydrophobicContact CD2-CD1 3.54Å; L285-L289 HydrophobicContact CD2-CG 4.35Å; L285-L289 HydrophobicContact CG-CD1 4.3Å; L285-L289 WeakPolarHBondContact O-CB 3.33Å; L285-L289 VanDerWaalsContact O-CG 3.28Å; L285-L289 WeakPolarHBondContact O-CG 3.34Å; L285-L289 PolarHBondContact O-N 3.05Å
286G82.8Confident80.5Confident1 Ų161.8 Ų61.81%0.0131%0.308CS..Hα-helixtrans-59.3-45.9175.100000112.1F19 A282 C283 L289 A290F19-G286 WeakPolarHBondContact CD1-O 3.46Å; A282-G286 PolarHBondContact O-N 2.93Å; C283-G286 PolarHBondContact O-N 3.36Å; G286-L289 PolarHBondContact O-N 2.78Å; G286-A290 WeakPolarHBondContact O-CB 3.46Å; G286-A290 PolarHBondContact O-N 3.26Å
287F81.2Confident81Confident10 Ų1066.1 Ų66.14%0.04433%0.33CS..Hα-helixtrans-59.3-49.7176.3174.8-92.2000112.2A16 I209 L213 C283 F284 L285 L289 A290 M291A16-F287 HydrophobicContact CB-CD2 3.65Å; A16-F287 HydrophobicContact CB-CE2 3.5Å; A16-F287 VanDerWaalsContact CB-CE2 3.5Å; A16-F287 HydrophobicContact CB-CZ 4.3Å; I209-F287 HydrophobicContact CB-CE1 3.78Å; I209-F287 HydrophobicContact CB-CE2 4.34Å; I209-F287 HydrophobicContact CB-CZ 3.49Å; I209-F287 VanDerWaalsContact CB-CZ 3.49Å; I209-F287 HydrophobicContact CD1-CE1 4.49Å; I209-F287 HydrophobicContact CD1-CE2 4.35Å; I209-F287 HydrophobicContact CD1-CZ 3.59Å; I209-F287 HydrophobicContact CG1-CZ 4.14Å; I209-F287 HydrophobicContact CG2-CD1 4.33Å; I209-F287 HydrophobicContact CG2-CD2 4.25Å; I209-F287 HydrophobicContact CG2-CE1 3.54Å; I209-F287 HydrophobicContact CG2-CE2 3.45Å; I209-F287 VanDerWaalsContact CG2-CE2 3.45Å; I209-F287 HydrophobicContact CG2-CZ 3.06Å; L213-F287 HydrophobicContact CD1-CB 3.75Å; L213-F287 HydrophobicContact CD1-CD1 3.57Å; L213-F287 HydrophobicContact CD1-CD2 3.94Å; L213-F287 HydrophobicContact CD1-CE1 4.22Å; L213-F287 HydrophobicContact CD1-CG 3.43Å; L213-F287 VanDerWaalsContact CD1-CG 3.43Å; C283-F287 WeakPolarHBondContact O-CB 3.45Å; C283-F287 PolarHBondContact O-N 3.3Å; F284-F287 PolarHBondContact O-N 3.47Å; L285-F287 VanDerWaalsContact C-N 3.35Å; L285-F287 PolarHBondContact O-N 3.48Å; F287-L289 VanDerWaalsContact C-N 3.34Å; F287-L289 PolarHBondContact O-N 2.97Å; F287-A290 PolarHBondContact O-N 3.2Å; F287-M291 HydrophobicContact CD1-CG 4.12Å; F287-M291 HydrophobicContact CD2-CG 4.37Å; F287-M291 HydrophobicContact CE1-CB 4.49Å; F287-M291 HydrophobicContact CE1-CG 3.47Å; F287-M291 VanDerWaalsContact CE1-CG 3.47Å; F287-M291 HydrophobicContact CE2-CG 3.76Å; F287-M291 HydrophobicContact CE2-SD 4.16Å; F287-M291 HydrophobicContact CG-CG 4.49Å; F287-M291 HydrophobicContact CZ-CG 3.21Å; F287-M291 HydrophobicContact CZ-SD 3.82Å; F287-M291 WeakPolarHBondContact O-CB 3.41Å; F287-M291 WeakPolarHBondContact O-CG 3.44Å; F287-M291 PolarHBondContact O-N 3.28Å
288E80.1Confident81Confident91 Ų9159.7 Ų59.743%0.42531%0.306SS..Hα-helixtrans-62.1-41.5-179.7-78.2-167.8-171.700112.5F284 L285 M291 K292F284-E288 PolarHBondContact O-N 2.85Å; L285-E288 PolarHBondContact O-N 3.44Å; E288-M291 PolarHBondContact O-N 2.87Å; E288-K292 WeakPolarHBondContact O-CB 3.29Å; E288-K292 VanDerWaalsContact O-CG 3.31Å; E288-K292 WeakPolarHBondContact O-CG 3.45Å; E288-K292 PolarHBondContact O-N 3.4Å
289L84.4Confident80.6Confident96 Ų9660.8 Ų60.850%0.50331%0.313SS..Hα-helixtrans-65-44.5177-70.4177.7000111.4L285 G286 F287 M291 K292 F293L285-L289 HydrophobicContact CD2-CD1 3.54Å; L285-L289 HydrophobicContact CD2-CG 4.35Å; L285-L289 HydrophobicContact CG-CD1 4.3Å; L285-L289 WeakPolarHBondContact O-CB 3.33Å; L285-L289 VanDerWaalsContact O-CG 3.28Å; L285-L289 WeakPolarHBondContact O-CG 3.34Å; L285-L289 PolarHBondContact O-N 3.05Å; G286-L289 PolarHBondContact O-N 2.78Å; F287-L289 VanDerWaalsContact C-N 3.34Å; F287-L289 PolarHBondContact O-N 2.97Å; L289-M291 PolarHBondContact O-N 3.49Å; L289-K292 PolarHBondContact O-N 3.29Å; L289-F293 WeakPolarHBondContact O-CB 3.24Å; L289-F293 PolarHBondContact O-N 3.43Å
290A82.6Confident80.2Confident11 Ų1168.3 Ų68.39%0.09135%0.352CS..Hα-helixtrans-63.4-41.4176.500000111.9A16 F19 G286 F287 F293 L294A16-A290 HydrophobicContact CB-CB 3.91Å; F19-A290 HydrophobicContact CB-CB 4Å; F19-A290 HydrophobicContact CD1-CB 3.69Å; F19-A290 HydrophobicContact CE1-CB 4.47Å; F19-A290 HydrophobicContact CG-CB 4.06Å; G286-A290 WeakPolarHBondContact O-CB 3.46Å; G286-A290 PolarHBondContact O-N 3.26Å; F287-A290 PolarHBondContact O-N 3.2Å; A290-F293 PolarHBondContact O-N 3.26Å; A290-L294 WeakPolarHBondContact O-CB 3.17Å; A290-L294 VanDerWaalsContact O-CG 3.25Å; A290-L294 WeakPolarHBondContact O-CG 3.14Å; A290-L294 PolarHBondContact O-N 2.91Å
291M79.8Confident79.2Confident14 Ų1470.8 Ų70.87%0.06937%0.365CS..Hα-helixtrans-62.7-46.3175.3-80.6-55.3-58.900112.3I8 K12 A16 F287 E288 L289 F293 L294 N295I8-M291 HydrophobicContact CD1-CE 4.37Å; I8-M291 HydrophobicContact CG2-CE 3.33Å; I8-M291 HydrophobicContact CG2-SD 4.41Å; K12-M291 HydrophobicContact CB-CE 4.49Å; K12-M291 HydrophobicContact CB-SD 4.36Å; A16-M291 HydrophobicContact CB-CG 3.62Å; A16-M291 HydrophobicContact CB-SD 3.47Å; A16-M291 WeakPolarHBondContact CB-SD 3.43Å; F287-M291 HydrophobicContact CD1-CG 4.12Å; F287-M291 HydrophobicContact CD2-CG 4.37Å; F287-M291 HydrophobicContact CE1-CB 4.49Å; F287-M291 HydrophobicContact CE1-CG 3.47Å; F287-M291 VanDerWaalsContact CE1-CG 3.47Å; F287-M291 HydrophobicContact CE2-CG 3.76Å; F287-M291 HydrophobicContact CE2-SD 4.16Å; F287-M291 HydrophobicContact CG-CG 4.49Å; F287-M291 HydrophobicContact CZ-CG 3.21Å; F287-M291 HydrophobicContact CZ-SD 3.82Å; F287-M291 WeakPolarHBondContact O-CB 3.41Å; F287-M291 WeakPolarHBondContact O-CG 3.44Å; F287-M291 PolarHBondContact O-N 3.28Å; E288-M291 PolarHBondContact O-N 2.87Å; L289-M291 PolarHBondContact O-N 3.49Å; M291-F293 VanDerWaalsContact C-N 3.29Å; M291-F293 PolarHBondContact O-N 3.36Å; M291-L294 PolarHBondContact O-N 2.98Å; M291-N295 VanDerWaalsContact O-CB 3.3Å; M291-N295 WeakPolarHBondContact O-CB 3.32Å; M291-N295 PolarHBondContact O-N 3Å; M291-N295 PolarHBondContact O-ND2 3.2Å; M291-N295 VanDerWaalsContact O-ND2 3.14Å
292K82.6Confident79.2Confident135 Ų13572.1 Ų72.159%0.58737%0.365SS*.Hα-helixtrans-59.6-42.6175.7-75.7173.4-176.9170.10111E288 L289 W296E288-K292 WeakPolarHBondContact O-CB 3.29Å; E288-K292 VanDerWaalsContact O-CG 3.31Å; E288-K292 WeakPolarHBondContact O-CG 3.45Å; E288-K292 PolarHBondContact O-N 3.4Å; L289-K292 PolarHBondContact O-N 3.29Å; K292-W296 WeakPolarHBondContact O-CB 3.25Å; K292-W296 PolarHBondContact O-N 3.16Å; K292-W296 VanDerWaalsContact O-N 3.11Å
293F84.8Confident79Confident114 Ų11474.6 Ų74.650%0.537%0.373SS..Hα-helixtrans-66.1-47.4177.8-177.9-101.7000112.8L289 A290 M291 N295 W296 L297L289-F293 WeakPolarHBondContact O-CB 3.24Å; L289-F293 PolarHBondContact O-N 3.43Å; A290-F293 PolarHBondContact O-N 3.26Å; M291-F293 VanDerWaalsContact C-N 3.29Å; M291-F293 PolarHBondContact O-N 3.36Å; F293-N295 VanDerWaalsContact C-N 3.32Å; F293-N295 PolarHBondContact O-N 3.33Å; F293-W296 HydrophobicContact CD2-CE3 4.34Å; F293-W296 HydrophobicContact CE2-CE3 4.16Å; F293-W296 HydrophobicContact CE2-CZ3 4.16Å; F293-W296 WeakPolarHBondContact O-CB 3.48Å; F293-W296 PolarHBondContact O-N 2.99Å; F293-W296 VanDerWaalsContact O-N 3.13Å; F293-L297 HydrophobicContact CE1-CB 4.44Å; F293-L297 HydrophobicContact CE1-CD1 4.49Å; F293-L297 HydrophobicContact CE1-CD2 4.09Å; F293-L297 HydrophobicContact CZ-CD1 4.08Å; F293-L297 HydrophobicContact CZ-CD2 4.46Å; F293-L297 WeakPolarHBondContact O-CB 3.39Å; F293-L297 PolarHBondContact O-N 3.14Å
294L81.8Confident78.9Confident25 Ų2577.7 Ų77.713%0.13139%0.387CS..Hα-helixtrans-65.7-34.9179.1-72.2169.5000112.4K12 F15 A16 A290 M291 W296 A298K12-L294 HydrophobicContact CB-CD1 4.4Å; K12-L294 HydrophobicContact CG-CB 4.32Å; F15-L294 HydrophobicContact CB-CD1 3.89Å; A16-L294 HydrophobicContact CB-CD1 4.24Å; A290-L294 WeakPolarHBondContact O-CB 3.17Å; A290-L294 VanDerWaalsContact O-CG 3.25Å; A290-L294 WeakPolarHBondContact O-CG 3.14Å; A290-L294 PolarHBondContact O-N 2.91Å; M291-L294 PolarHBondContact O-N 2.98Å; L294-W296 VanDerWaalsContact C-N 3.31Å; L294-A298 CarbonylContact O-C 3.36Å; L294-A298 WeakPolarHBondContact O-CA 3.46Å; L294-A298 PolarHBondContact O-N 3.21Å
295N81.8Confident78.9Confident78 Ų7879.5 Ų79.542%0.41740%0.398SS..Hα-helixtrans-68.8-31.1173.7-73.4-27.3000112.5M291 F293M291-N295 VanDerWaalsContact O-CB 3.3Å; M291-N295 WeakPolarHBondContact O-CB 3.32Å; M291-N295 PolarHBondContact O-N 3Å; M291-N295 PolarHBondContact O-ND2 3.2Å; M291-N295 VanDerWaalsContact O-ND2 3.14Å; F293-N295 VanDerWaalsContact C-N 3.32Å; F293-N295 PolarHBondContact O-N 3.33Å
296W80.5Confident78.6Confident196 Ų19677.7 Ų77.774%0.74239%0.387SS*.Hα-helixtrans-75.3-45.3173.6177.477.7000112.1K292 F293 L294K292-W296 WeakPolarHBondContact O-CB 3.25Å; K292-W296 PolarHBondContact O-N 3.16Å; K292-W296 VanDerWaalsContact O-N 3.11Å; F293-W296 HydrophobicContact CD2-CE3 4.34Å; F293-W296 HydrophobicContact CE2-CE3 4.16Å; F293-W296 HydrophobicContact CE2-CZ3 4.16Å; F293-W296 WeakPolarHBondContact O-CB 3.48Å; F293-W296 PolarHBondContact O-N 2.99Å; F293-W296 VanDerWaalsContact O-N 3.13Å; L294-W296 VanDerWaalsContact C-N 3.31Å
297L82.8Confident78.3Confident105 Ų10582.8 Ų82.855%0.5541%0.412SS..Hα-helixtrans-74.8-41.9-175.2-168.787000112.7F293F293-L297 HydrophobicContact CE1-CB 4.44Å; F293-L297 HydrophobicContact CE1-CD1 4.49Å; F293-L297 HydrophobicContact CE1-CD2 4.09Å; F293-L297 HydrophobicContact CZ-CD1 4.08Å; F293-L297 HydrophobicContact CZ-CD2 4.46Å; F293-L297 WeakPolarHBondContact O-CB 3.39Å; F293-L297 PolarHBondContact O-N 3.14Å
298A76.6Confident78.1Confident25 Ų2588 Ų8821%0.20744%0.439CS..  trans-140.470-173.200000110.7K12 L294 N300 L301K12-A298 WeakPolarHBondContact CE-O 3.44Å; K12-A298 PolarHBondContact NZ-O 3.46Å; L294-A298 CarbonylContact O-C 3.36Å; L294-A298 WeakPolarHBondContact O-CA 3.46Å; L294-A298 PolarHBondContact O-N 3.21Å; A298-N300 PolarHBondContact O-N 2.91Å; A298-N300 VanDerWaalsContact O-N 3.09Å; A298-L301 HydrophobicContact CB-CB 3.9Å; A298-L301 HydrophobicContact CB-CD1 4.31Å; A298-L301 WeakPolarHBondContact O-CB 3.14Å; A298-L301 PolarHBondContact O-N 3.02Å; A298-L301 VanDerWaalsContact O-N 3.1Å
299P71.1Confident78Confident87 Ų8787.8 Ų87.857%0.56544%0.44SS*.THydrogen-bonded Turntrans-58.2-27.5-175.819.5-30.5000113.6K12K12-P299 VanDerWaalsContact NZ-C 3.35Å; K12-P299 PolarHBondContact NZ-O 3.31Å
300N68.6Low77.4Confident164 Ų16487.1 Ų87.188%0.87743%0.434SS*.THydrogen-bonded Turntrans-95.11.3-178.4-59.5-22.8000114.9A298A298-N300 PolarHBondContact O-N 2.91Å; A298-N300 VanDerWaalsContact O-N 3.09Å
301L56.3Low77Confident91 Ų9194 Ų9448%0.47647%0.466SS..  trans-710176.3-145.588000112.3S9 M11 K12 A298S9-L301 WeakPolarHBondContact CB-O 3.28Å; S9-L301 WeakPolarHBondContact CB-OXT 3.41Å; S9-L301 VanDerWaalsContact OG-C 3.31Å; S9-L301 PolarHBondContact OG-O 3Å; S9-L301 PolarHBondContact OG-OXT 3.46Å; M11-L301 HydrophobicContact CB-CD2 4.25Å; M11-L301 HydrophobicContact CE-CD2 4.47Å; K12-L301 HydrophobicContact CD-CB 4.48Å; K12-L301 WeakPolarHBondContact CD-O 3.3Å; K12-L301 VanDerWaalsContact CE-O 3.24Å; K12-L301 WeakPolarHBondContact CE-O 3.48Å; K12-L301 HydrophobicContact CG-CB 4.2Å; K12-L301 HydrophobicContact CG-CD2 4.32Å; K12-L301 PolarHBondContact NZ-O 2.84Å; A298-L301 HydrophobicContact CB-CB 3.9Å; A298-L301 HydrophobicContact CB-CD1 4.31Å; A298-L301 WeakPolarHBondContact O-CB 3.14Å; A298-L301 PolarHBondContact O-N 3.02Å; A298-L301 VanDerWaalsContact O-N 3.1Å

Retrieved 301 of 301 residues in 703.5 ms (Link to these results)