A0A087X5A3_POEFO Loading...

Nuclear factor 1

Recognizes and binds the palindromic sequence 5'-TTGGCNNNNNGCCAA-3' present in viral and cellular promoters and in the origin of replication of adenovirus type 2. These proteins are individually capable of activating transcription and replication.

AlphaFold DB , UniProt , Accession A0A087X5A3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 507 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
1M37.5Very low41.6Very low165 Ų165126.5 Ų126.581%0.81368%0.677SS**  0129.20-63.5-53159.500107.8Y474M1-Y474 HydrophobicContact CE-CD1 3.5Å; M1-Y474 VanDerWaalsContact CE-CD1 3.5Å; M1-Y474 HydrophobicContact CE-CD2 3.92Å; M1-Y474 HydrophobicContact CE-CE1 3.46Å; M1-Y474 VanDerWaalsContact CE-CE1 3.46Å; M1-Y474 HydrophobicContact CE-CE2 3.89Å; M1-Y474 HydrophobicContact CE-CG 3.73Å; M1-Y474 HydrophobicContact CG-CE2 3.89Å; M1-Y474 HydrophobicContact SD-CE1 4.06Å; M1-Y474 HydrophobicContact SD-CE2 4.3Å
2P38.9Very low42.1Very low120 Ų120129.6 Ų129.678%0.77967%0.672SS**  trans-69.2133.8164.330.9-31.6000108.3C4P2-C4 PolarHBondContact O-N 3.47Å
3E36.9Very low43.1Very low159 Ų159121.9 Ų121.974%0.74363%0.632SS**  trans-66.9121.9176.6-66.4179121.500109.8Y5E3-Y5 HydrophobicContact CB-CD2 4.24Å; E3-Y5 HydrophobicContact CB-CE2 4.35Å; E3-Y5 PolarHBondContact O-N 3.38Å
4C37.2Very low44Very low118 Ų118119.5 Ų119.580%0.79762%0.617SS**  trans-70.886.3169.1-63.20000108.8P2 V6P2-C4 PolarHBondContact O-N 3.47Å; C4-V6 PolarHBondContact O-N 3.39Å
5Y40.1Very low45.8Very low189 Ų189123.8 Ų123.874%0.74163%0.629SS**  trans-56.3100.9167.3-95.1-103.4000108.8E3 V7E3-Y5 HydrophobicContact CB-CD2 4.24Å; E3-Y5 HydrophobicContact CB-CE2 4.35Å; E3-Y5 PolarHBondContact O-N 3.38Å; Y5-V7 PolarHBondContact O-N 3Å
6V44.6Very low48.7Very low131 Ų131119 Ų11979%0.79460%0.604SS**  trans-7282.3173.5-175.60000107.2C4 S8C4-V6 PolarHBondContact O-N 3.39Å; V6-S8 PolarHBondContact O-N 3.47Å
7V39.4Very low51.4Low76 Ų76117.1 Ų117.146%0.46160%0.601SS.*  trans-58110.6172.5177.60000107.4Y5 D9 R12Y5-V7 PolarHBondContact O-N 3Å; V7-D9 PolarHBondContact O-N 3.07Å; V7-R12 HydrophobicContact CG1-CG 4.16Å
8S37.9Very low53.9Low73 Ų73111.3 Ų111.351%0.5157%0.571SS.*  trans-47.5127.2-178.5-57.20000111V6 S10 Y11V6-S8 PolarHBondContact O-N 3.47Å; S8-S10 PolarHBondContact O-N 3.46Å; S8-Y11 PolarHBondContact O-N 2.84Å
9D50.5Low56.2Low98 Ų98105.6 Ų105.652%0.52454%0.542SS..Hα-helixtrans-56.2-21-173.4-167.948.8000112.8V7 Y11 R12 D13 K84V7-D9 PolarHBondContact O-N 3.07Å; D9-Y11 PolarHBondContact O-N 2.96Å; D9-R12 PolarHBondContact O-N 3.49Å; D9-D13 PolarHBondContact O-N 3.28Å; D9-K84 IonicContact OD1-NZ 3.49Å; D9-K84 IonicContact OD2-NZ 3.47Å; D9-K84 PolarHBondContact OD2-NZ 3.3Å
10S52.5Low58.2Low82 Ų82107.2 Ų107.257%0.57355%0.547SS*.Hα-helixtrans-61.7-34.6170.952.10000115.1S8S8-S10 PolarHBondContact O-N 3.46Å
11Y42Very low60Low181 Ų181103.8 Ų103.871%0.7154%0.535SS*.Hα-helixtrans-80.2-25177.9-98.3-81.2000112.5S8 D9 D13S8-Y11 PolarHBondContact O-N 2.84Å; D9-Y11 PolarHBondContact O-N 2.96Å; Y11-D13 VanDerWaalsContact C-N 3.34Å
12R48.3Very low62.9Low163 Ų16396 Ų9662%0.61550%0.496SS*.Hα-helixtrans-78.3-16.9176.5-73.6-75.4-179.5162.3-2.9113.4V7 D9V7-R12 HydrophobicContact CG1-CG 4.16Å; D9-R12 PolarHBondContact O-N 3.49Å
13D55.2Low65.6Low30 Ų3091.6 Ų91.616%0.1647%0.466CS..THydrogen-bonded Turntrans-91.1-12.4179.1-87.3-13.2000114.2D9 Y11 I19 A80 K84D9-D13 PolarHBondContact O-N 3.28Å; Y11-D13 VanDerWaalsContact C-N 3.34Å; D13-I19 WeakPolarHBondContact O-CD1 3.26Å; D13-A80 HydrophobicContact CB-CB 4.06Å; D13-K84 IonicContact OD1-NZ 3.78Å; D13-K84 PolarHBondContact OD1-NZ 3.15Å; D13-K84 IonicContact OD2-NZ 3.34Å; D13-K84 PolarHBondContact OD2-NZ 3.4Å
14E55.3Low68.4Low88 Ų8885.9 Ų85.941%0.41144%0.443SS..THydrogen-bonded Turntrans-83.3-31.8175.1-77-164.715200113.3K73E14-K73 WeakPolarHBondContact OE1-CE 3.43Å; E14-K73 IonicContact OE1-NZ 2.69Å; E14-K73 PolarHBondContact OE1-NZ 3.25Å
15F71.4Confident71.3Confident184 Ų18483.4 Ų83.481%0.80742%0.42SS*.SBendtrans-126.583.6176.6-69.5-87.8000111.1
16H91.6Very high74Confident47 Ų4774.5 Ų74.522%0.21839%0.385CS..  trans-127.5131175.8-172.3-73000110.8F18 I19 E20 R83H16-F18 VanDerWaalsContact C-N 3.31Å; H16-F18 VanDerWaalsContact ND1-CB 3.33Å; H16-F18 WeakPolarHBondContact ND1-CB 3.12Å; H16-F18 PolarHBondContact ND1-N 3.48Å; H16-F18 VanDerWaalsContact ND1-N 3.17Å; H16-F18 PolarHBondContact O-N 3.41Å; H16-F18 VanDerWaalsContact O-N 3.13Å; H16-I19 HydrophobicContact CB-CD1 4.05Å; H16-I19 HydrophobicContact CB-CG1 4.27Å; H16-I19 WeakPolarHBondContact O-CA 3.44Å; H16-I19 WeakPolarHBondContact O-CB 3.46Å; H16-I19 PolarHBondContact O-N 3.19Å; H16-E20 PolarHBondContact O-N 3.03Å; H16-E20 VanDerWaalsContact O-N 3.09Å; H16-R83 VanDerWaalsContact CD2-CZ 3.47Å; H16-R83 PolarHBondContact CE1-NE 3.05Å; H16-R83 PolarHBondContact NE2-NE 2.99Å; H16-R83 VanDerWaalsContact NE2-NE 3.14Å; H16-R83 PolarHBondContact NE2-NH2 3.44Å
17P94.4Very high76.5Confident87 Ų8772.2 Ų72.257%0.56536%0.362SS*.Hα-helixtrans-53.6-39.5-174.2-30.836000115.3I19 E20 A21P17-I19 VanDerWaalsContact C-N 3.29Å; P17-I19 PolarHBondContact O-N 3.47Å; P17-E20 PolarHBondContact O-N 3.13Å; P17-A21 VanDerWaalsContact O-CB 3.25Å; P17-A21 WeakPolarHBondContact O-CB 3.45Å; P17-A21 PolarHBondContact O-N 3.21Å
18F97Very high79Confident12 Ų1269.5 Ų69.55%0.05335%0.348CS..Hα-helixtrans-54.9-39.5171.9179.3-85.7000113.6H16 L22 R83 I86 R91 F94 V95H16-F18 VanDerWaalsContact C-N 3.31Å; H16-F18 VanDerWaalsContact ND1-CB 3.33Å; H16-F18 WeakPolarHBondContact ND1-CB 3.12Å; H16-F18 PolarHBondContact ND1-N 3.48Å; H16-F18 VanDerWaalsContact ND1-N 3.17Å; H16-F18 PolarHBondContact O-N 3.41Å; H16-F18 VanDerWaalsContact O-N 3.13Å; F18-L22 HydrophobicContact CD1-CD1 3.85Å; F18-L22 HydrophobicContact CD2-CD1 4.21Å; F18-L22 HydrophobicContact CE1-CD1 3.51Å; F18-L22 HydrophobicContact CE2-CD1 3.91Å; F18-L22 HydrophobicContact CG-CD1 4.18Å; F18-L22 HydrophobicContact CZ-CD1 3.55Å; F18-L22 WeakPolarHBondContact O-CB 3.36Å; F18-L22 VanDerWaalsContact O-CD1 3.27Å; F18-L22 WeakPolarHBondContact O-CD1 3.28Å; F18-L22 WeakPolarHBondContact O-CG 3.15Å; F18-L22 PolarHBondContact O-N 3.44Å; F18-R83 HydrophobicContact CD1-CB 3.68Å; F18-R83 HydrophobicContact CD1-CG 3.97Å; F18-R83 HydrophobicContact CE1-CB 3.56Å; F18-R83 HydrophobicContact CE1-CG 4.21Å; F18-R83 HydrophobicContact CG-CB 4.37Å; F18-R83 HydrophobicContact CG-CG 4.17Å; F18-R83 HydrophobicContact CZ-CB 4.16Å; F18-I86 HydrophobicContact CZ-CD1 3.97Å; F18-R91 HydrophobicContact CD2-CB 3.93Å; F18-R91 HydrophobicContact CD2-CG 4.41Å; F18-R91 HydrophobicContact CE2-CB 3.91Å; F18-R91 HydrophobicContact CE2-CG 4.12Å; F18-F94 AromaticContact CE2-CD1 3.77Å; F18-F94 HydrophobicContact CE2-CD1 3.77Å; F18-F94 AromaticContact CZ-CD1 3.66Å; F18-F94 HydrophobicContact CZ-CD1 3.66Å; F18-F94 HydrophobicContact CZ-CE1 4.03Å; F18-V95 HydrophobicContact CB-CG2 4.45Å; F18-V95 HydrophobicContact CD2-CG2 3.56Å; F18-V95 HydrophobicContact CE2-CG2 4.11Å; F18-V95 HydrophobicContact CG-CG2 4.18Å
19I96.9Very high81.7Confident4 Ų466.1 Ų66.12%0.02132%0.324CS..Hα-helixtrans-76.8-48.4-178.9-61.5173.8000109.1D13 H16 P17 A21 L22 L23 L79 A80D13-I19 WeakPolarHBondContact O-CD1 3.26Å; H16-I19 HydrophobicContact CB-CD1 4.05Å; H16-I19 HydrophobicContact CB-CG1 4.27Å; H16-I19 WeakPolarHBondContact O-CA 3.44Å; H16-I19 WeakPolarHBondContact O-CB 3.46Å; H16-I19 PolarHBondContact O-N 3.19Å; P17-I19 VanDerWaalsContact C-N 3.29Å; P17-I19 PolarHBondContact O-N 3.47Å; I19-A21 PolarHBondContact O-N 3.23Å; I19-L22 PolarHBondContact O-N 3.4Å; I19-L22 VanDerWaalsContact O-N 3.16Å; I19-L23 WeakPolarHBondContact O-CB 3.34Å; I19-L23 PolarHBondContact O-N 2.85Å; I19-L79 HydrophobicContact CB-CB 4.35Å; I19-L79 HydrophobicContact CG1-CB 4.01Å; I19-L79 HydrophobicContact CG2-CB 3.99Å; I19-L79 HydrophobicContact CG2-CD1 4.02Å; I19-A80 HydrophobicContact CD1-CB 3.79Å
20E95.6Very high83.9Confident137 Ų13761.4 Ų61.464%0.6430%0.299SS*.Hα-helixtrans-55-49177.8-175.1-179.4-178.100112.2H16 P17 L22 P24H16-E20 PolarHBondContact O-N 3.03Å; H16-E20 VanDerWaalsContact O-N 3.09Å; P17-E20 PolarHBondContact O-N 3.13Å; E20-L22 VanDerWaalsContact C-N 3.27Å; E20-L22 PolarHBondContact O-N 3.45Å; E20-P24 WeakPolarHBondContact O-CD 3.41Å
21A96.7Very high86Confident36 Ų3658.3 Ų58.330%0.29827%0.274SS..THydrogen-bonded Turntrans-70.6-16.9-179.800000114.4P17 I19 H25 V95 T99P17-A21 VanDerWaalsContact O-CB 3.25Å; P17-A21 WeakPolarHBondContact O-CB 3.45Å; P17-A21 PolarHBondContact O-N 3.21Å; I19-A21 PolarHBondContact O-N 3.23Å; A21-H25 PolarHBondContact O-CD2 3.48Å; A21-V95 HydrophobicContact CB-CG1 3.6Å; A21-T99 WeakPolarHBondContact O-CG2 3.06Å
22L97.8Very high88.6Confident0 Ų049.8 Ų49.80%024%0.241CC..THydrogen-bonded Turntrans-104.7-20.9179.6-69.7174.5000113.6F18 I19 E20 H25 V26 L79 F94 V95 I98 F140F18-L22 HydrophobicContact CD1-CD1 3.85Å; F18-L22 HydrophobicContact CD2-CD1 4.21Å; F18-L22 HydrophobicContact CE1-CD1 3.51Å; F18-L22 HydrophobicContact CE2-CD1 3.91Å; F18-L22 HydrophobicContact CG-CD1 4.18Å; F18-L22 HydrophobicContact CZ-CD1 3.55Å; F18-L22 WeakPolarHBondContact O-CB 3.36Å; F18-L22 VanDerWaalsContact O-CD1 3.27Å; F18-L22 WeakPolarHBondContact O-CD1 3.28Å; F18-L22 WeakPolarHBondContact O-CG 3.15Å; F18-L22 PolarHBondContact O-N 3.44Å; I19-L22 PolarHBondContact O-N 3.4Å; I19-L22 VanDerWaalsContact O-N 3.16Å; E20-L22 VanDerWaalsContact C-N 3.27Å; E20-L22 PolarHBondContact O-N 3.45Å; L22-H25 WeakPolarHBondContact O-CA 3.49Å; L22-H25 PolarHBondContact O-N 3.02Å; L22-V26 PolarHBondContact O-N 3.27Å; L22-L79 HydrophobicContact CB-CD1 4.14Å; L22-L79 HydrophobicContact CB-CD2 3.67Å; L22-L79 HydrophobicContact CD1-CD2 3.94Å; L22-L79 HydrophobicContact CG-CD2 4.47Å; L22-F94 HydrophobicContact CD1-CD1 3.73Å; L22-F94 HydrophobicContact CD1-CE1 3.6Å; L22-F94 HydrophobicContact CD2-CD1 4.45Å; L22-F94 HydrophobicContact CD2-CE1 4.32Å; L22-V95 HydrophobicContact CD1-CG2 4.2Å; L22-V95 HydrophobicContact CD2-CG2 4.49Å; L22-V95 HydrophobicContact CG-CG2 4.14Å; L22-I98 HydrophobicContact CD2-CB 3.61Å; L22-I98 HydrophobicContact CD2-CG1 4.01Å; L22-I98 HydrophobicContact CD2-CG2 3.53Å; L22-F140 HydrophobicContact CD2-CE1 4.35Å
23L96.9Very high90.9Very high28 Ų2843 Ų4315%0.14722%0.215CC..G310 helixtrans-58.7-39.8-177.2-170.869.5000113I19 H25 V26 Q72 A75 L79 V239 A240I19-L23 WeakPolarHBondContact O-CB 3.34Å; I19-L23 PolarHBondContact O-N 2.85Å; L23-H25 PolarHBondContact O-N 2.88Å; L23-V26 PolarHBondContact O-N 3.39Å; L23-Q72 HydrophobicContact CD2-CB 4.49Å; L23-A75 HydrophobicContact CD1-CB 3.65Å; L23-L79 HydrophobicContact CB-CD1 4.18Å; L23-L79 HydrophobicContact CD1-CD1 4.06Å; L23-V239 HydrophobicContact CD1-CG1 3.96Å; L23-V239 HydrophobicContact CG-CG1 4.44Å; L23-V239 WeakPolarHBondContact O-CG1 3.16Å; L23-A240 HydrophobicContact CD2-CB 4.08Å; L23-A240 HydrophobicContact CG-CB 3.86Å
24P96.2Very high93Very high40 Ų4041.7 Ų41.726%0.2621%0.208SC..G310 helixtrans-69-12.9173.3-20.534.1000114.9E20 P238 A240 A242E20-P24 WeakPolarHBondContact O-CD 3.41Å; P24-P238 WeakPolarHBondContact O-CB 3.13Å; P24-A240 WeakPolarHBondContact CA-O 3.37Å; P24-A242 HydrophobicContact CB-CB 4.23Å; P24-A242 HydrophobicContact CG-CB 4.49Å
25H96.8Very high94.9Very high66 Ų6638.8 Ų38.831%0.30620%0.196SC..G310 helixtrans-99.9-12.6-177.9-64.3-95.9000113.2A21 L22 L23 I98 F140A21-H25 PolarHBondContact O-CD2 3.48Å; L22-H25 WeakPolarHBondContact O-CA 3.49Å; L22-H25 PolarHBondContact O-N 3.02Å; L23-H25 PolarHBondContact O-N 2.88Å; H25-I98 HydrophobicContact CB-CG2 3.47Å; H25-I98 VanDerWaalsContact CB-CG2 3.47Å; H25-I98 PolarHBondContact ND1-O 3.2Å; H25-F140 HydrophobicContact CB-CD1 4.14Å; H25-F140 HydrophobicContact CB-CE1 4.13Å; H25-F140 WeakPolarHBondContact O-CD1 3.37Å
26V97.9Very high96.1Very high1 Ų130.1 Ų30.11%0.00616%0.158CC..SBendtrans-74.8128.1171.9170.90000109.8L22 L23 A75 L79 L139 F140 P238 V239L22-V26 PolarHBondContact O-N 3.27Å; L23-V26 PolarHBondContact O-N 3.39Å; V26-A75 HydrophobicContact CG1-CB 4.16Å; V26-L79 HydrophobicContact CG2-CD1 4.09Å; V26-L79 HydrophobicContact CG2-CD2 4.09Å; V26-L79 HydrophobicContact CG2-CG 4.27Å; V26-L139 CarbonylContact C-O 3.58Å; V26-L139 WeakPolarHBondContact CA-O 3.36Å; V26-L139 HydrophobicContact CG1-CD2 3.61Å; V26-F140 HydrophobicContact CG2-CE1 3.85Å; V26-F140 HydrophobicContact CG2-CZ 3.98Å; V26-P238 CarbonylContact O-C 3.53Å; V26-P238 WeakPolarHBondContact O-CA 3.17Å; V26-V239 HydrophobicContact CB-CG1 3.8Å; V26-V239 HydrophobicContact CG1-CB 4.39Å; V26-V239 HydrophobicContact CG1-CG1 3.87Å; V26-V239 WeakPolarHBondContact O-CG1 3.19Å; V26-V239 PolarHBondContact O-N 2.96Å
27R95.9Very high96.3Very high83 Ų8328.8 Ų28.831%0.31315%0.152SC..BIsolated β-bridgetrans-74.5133.5179.1-52.1-54.8179.7160.5-1.8111.4F29 S30 L139 F140 S235 Q236 T237R27-F29 VanDerWaalsContact C-N 3.28Å; R27-F29 PolarHBondContact O-N 3.5Å; R27-S30 VanDerWaalsContact O-CB 3.23Å; R27-S30 WeakPolarHBondContact O-CB 3.08Å; R27-S30 PolarHBondContact O-N 3.39Å; R27-S30 VanDerWaalsContact O-N 3.1Å; R27-S30 PolarHBondContact O-OG 2.98Å; R27-L139 WeakPolarHBondContact CG-O 3.05Å; R27-L139 PolarHBondContact N-O 2.94Å; R27-F140 PolarHBondContact NE-O 3.37Å; R27-F140 PolarHBondContact NH2-O 3.04Å; R27-S235 WeakPolarHBondContact CB-O 3.25Å; R27-S235 WeakPolarHBondContact CD-O 3.23Å; R27-S235 WeakPolarHBondContact CG-O 3.42Å; R27-Q236 PolarHBondContact NH1-O 2.9Å; R27-T237 CarbonylContact C-O 3.59Å; R27-T237 WeakPolarHBondContact CA-O 3.22Å
28A92.4Very high96.4Very high20 Ų2025.5 Ų25.517%0.16513%0.131CC..THydrogen-bonded Turntrans-59.2-37.9-179.500000112.6S30 Y31 T237 V239A28-S30 PolarHBondContact O-N 3.36Å; A28-Y31 PolarHBondContact O-N 3.47Å; A28-Y31 VanDerWaalsContact O-N 3.1Å; A28-T237 HydrophobicContact CB-CG2 4.45Å; A28-T237 PolarHBondContact N-O 3.35Å; A28-V239 HydrophobicContact CB-CB 4.44Å
29F93.8Very high96.3Very high1 Ų128.4 Ų28.40%0.00414%0.142CC..Hα-helixtrans-44.8-38172.5165.3-102.6000113.7R27 Y31 T32 W33 G142 P144 W226 L231 V234R27-F29 VanDerWaalsContact C-N 3.28Å; R27-F29 PolarHBondContact O-N 3.5Å; F29-Y31 VanDerWaalsContact C-N 3.25Å; F29-Y31 PolarHBondContact O-N 3.14Å; F29-T32 WeakPolarHBondContact O-CB 3.5Å; F29-T32 PolarHBondContact O-N 3.23Å; F29-T32 VanDerWaalsContact O-N 3.08Å; F29-W33 HydrophobicContact CD1-CB 4.36Å; F29-W33 HydrophobicContact CE1-CB 3.8Å; F29-W33 HydrophobicContact CE1-CD2 4.3Å; F29-W33 AromaticContact CE1-CG 3.92Å; F29-W33 HydrophobicContact CE1-CG 3.92Å; F29-W33 HydrophobicContact CE2-CB 4.09Å; F29-W33 HydrophobicContact CE2-CD2 4.36Å; F29-W33 AromaticContact CE2-CE3 3.95Å; F29-W33 HydrophobicContact CE2-CE3 3.95Å; F29-W33 HydrophobicContact CE2-CG 4.45Å; F29-W33 HydrophobicContact CZ-CB 3.64Å; F29-W33 AromaticContact CZ-CD2 3.62Å; F29-W33 HydrophobicContact CZ-CD2 3.62Å; F29-W33 AromaticContact CZ-CE3 3.58Å; F29-W33 HydrophobicContact CZ-CE3 3.58Å; F29-W33 AromaticContact CZ-CG 3.66Å; F29-W33 HydrophobicContact CZ-CG 3.66Å; F29-W33 HydrophobicContact CZ-CZ3 4.45Å; F29-W33 PolarHBondContact O-N 2.65Å; F29-G142 VanDerWaalsContact CD1-O 3.3Å; F29-G142 WeakPolarHBondContact CD1-O 3.42Å; F29-G142 VanDerWaalsContact CE1-O 3.25Å; F29-G142 WeakPolarHBondContact CE1-O 3.1Å; F29-P144 HydrophobicContact CE1-CB 4.41Å; F29-P144 HydrophobicContact CZ-CB 3.8Å; F29-W226 AromaticContact CD2-CH2 3.96Å; F29-W226 HydrophobicContact CD2-CH2 3.96Å; F29-W226 AromaticContact CD2-CZ2 3.98Å; F29-W226 HydrophobicContact CD2-CZ2 3.98Å; F29-W226 AromaticContact CE2-CE2 3.98Å; F29-W226 HydrophobicContact CE2-CH2 4.15Å; F29-W226 AromaticContact CE2-CZ2 3.72Å; F29-W226 HydrophobicContact CE2-CZ2 3.72Å; F29-L231 HydrophobicContact CD2-CD1 4.34Å; F29-L231 HydrophobicContact CE2-CD1 3.76Å; F29-L231 HydrophobicContact CZ-CD1 4.03Å; F29-V234 HydrophobicContact CB-CB 4.28Å; F29-V234 HydrophobicContact CB-CG2 4Å; F29-V234 WeakPolarHBondContact CB-O 3.45Å; F29-V234 HydrophobicContact CD2-CG2 3.63Å; F29-V234 HydrophobicContact CG-CG2 4.17Å
30S97.3Very high96.2Very high0 Ų030.5 Ų30.50%015%0.151CC..Hα-helixtrans-55-40.4-177.5-430000112.6R27 A28 W33 F34 I138 L139R27-S30 VanDerWaalsContact O-CB 3.23Å; R27-S30 WeakPolarHBondContact O-CB 3.08Å; R27-S30 PolarHBondContact O-N 3.39Å; R27-S30 VanDerWaalsContact O-N 3.1Å; R27-S30 PolarHBondContact O-OG 2.98Å; A28-S30 PolarHBondContact O-N 3.36Å; S30-W33 PolarHBondContact O-N 2.76Å; S30-F34 WeakPolarHBondContact O-CD2 3.46Å; S30-F34 PolarHBondContact O-N 2.96Å; S30-I138 PolarHBondContact OG-O 3.25Å; S30-L139 WeakPolarHBondContact OG-CA 3.41Å
31Y97.5Very high96.1Very high17 Ų1729.6 Ų29.67%0.06714%0.142CC..Hα-helixtrans-60.3-52.1177.3174.3-86.3000110.4A28 F29 W33 N35 L63 E66 I70 K71 W74A28-Y31 PolarHBondContact O-N 3.47Å; A28-Y31 VanDerWaalsContact O-N 3.1Å; F29-Y31 VanDerWaalsContact C-N 3.25Å; F29-Y31 PolarHBondContact O-N 3.14Å; Y31-W33 VanDerWaalsContact C-N 3.33Å; Y31-W33 PolarHBondContact O-N 3.09Å; Y31-N35 WeakPolarHBondContact CE2-ND2 3.39Å; Y31-N35 WeakPolarHBondContact O-CB 3.35Å; Y31-N35 PolarHBondContact O-N 3.24Å; Y31-N35 VanDerWaalsContact O-N 3.1Å; Y31-N35 PolarHBondContact O-ND2 2.98Å; Y31-L63 HydrophobicContact CE1-CD2 3.84Å; Y31-E66 HydrophobicContact CE1-CB 4.18Å; Y31-E66 HydrophobicContact CE1-CG 3.83Å; Y31-E66 PolarHBondContact OH-OE2 3.16Å; Y31-I70 HydrophobicContact CE2-CG2 4.28Å; Y31-K71 HydrophobicContact CD1-CD 4.35Å; Y31-K71 HydrophobicContact CD1-CG 3.77Å; Y31-K71 HydrophobicContact CD2-CB 4.28Å; Y31-K71 HydrophobicContact CD2-CG 4.04Å; Y31-K71 HydrophobicContact CE1-CG 4.2Å; Y31-K71 HydrophobicContact CE2-CG 4.41Å; Y31-K71 HydrophobicContact CG-CB 4.23Å; Y31-K71 HydrophobicContact CG-CG 3.71Å; Y31-W74 HydrophobicContact CD2-CB 3.8Å; Y31-W74 AromaticContact CD2-CD2 3.74Å; Y31-W74 HydrophobicContact CD2-CD2 3.74Å; Y31-W74 AromaticContact CD2-CE3 3.78Å; Y31-W74 HydrophobicContact CD2-CE3 3.78Å; Y31-W74 AromaticContact CD2-CG 3.74Å; Y31-W74 HydrophobicContact CD2-CG 3.74Å; Y31-W74 HydrophobicContact CE2-CB 3.98Å; Y31-W74 HydrophobicContact CE2-CG 4.16Å; Y31-W74 HydrophobicContact CG-CE3 4.27Å
32T96.7Very high96Very high1 Ų133.2 Ų33.21%0.00615%0.151CC..Hα-helixtrans-60.2-44.3179.2-53.30000110.6F29 N35 L36 K60 L63 L64 W226F29-T32 WeakPolarHBondContact O-CB 3.5Å; F29-T32 PolarHBondContact O-N 3.23Å; F29-T32 VanDerWaalsContact O-N 3.08Å; T32-N35 PolarHBondContact O-N 2.86Å; T32-L36 WeakPolarHBondContact O-CB 3.46Å; T32-L36 PolarHBondContact O-N 2.83Å; T32-K60 HydrophobicContact CG2-CG 4.3Å; T32-L63 HydrophobicContact CG2-CB 3.84Å; T32-L63 PolarHBondContact OG1-O 3.5Å; T32-L64 HydrophobicContact CG2-CD2 4.33Å; T32-L64 HydrophobicContact CG2-CG 4.16Å; T32-W226 HydrophobicContact CG2-CH2 3.83Å; T32-W226 HydrophobicContact CG2-CZ2 3.76Å
33W96.7Very high95.9Very high21 Ų2135.2 Ų35.28%0.0816%0.159CC..Hα-helixtrans-62.7-52.8-178.6-170.5-114.6000113F29 S30 Y31 N35 L36 Q37 P144 L145 E146 W226F29-W33 HydrophobicContact CD1-CB 4.36Å; F29-W33 HydrophobicContact CE1-CB 3.8Å; F29-W33 HydrophobicContact CE1-CD2 4.3Å; F29-W33 AromaticContact CE1-CG 3.92Å; F29-W33 HydrophobicContact CE1-CG 3.92Å; F29-W33 HydrophobicContact CE2-CB 4.09Å; F29-W33 HydrophobicContact CE2-CD2 4.36Å; F29-W33 AromaticContact CE2-CE3 3.95Å; F29-W33 HydrophobicContact CE2-CE3 3.95Å; F29-W33 HydrophobicContact CE2-CG 4.45Å; F29-W33 HydrophobicContact CZ-CB 3.64Å; F29-W33 AromaticContact CZ-CD2 3.62Å; F29-W33 HydrophobicContact CZ-CD2 3.62Å; F29-W33 AromaticContact CZ-CE3 3.58Å; F29-W33 HydrophobicContact CZ-CE3 3.58Å; F29-W33 AromaticContact CZ-CG 3.66Å; F29-W33 HydrophobicContact CZ-CG 3.66Å; F29-W33 HydrophobicContact CZ-CZ3 4.45Å; F29-W33 PolarHBondContact O-N 2.65Å; S30-W33 PolarHBondContact O-N 2.76Å; Y31-W33 VanDerWaalsContact C-N 3.33Å; Y31-W33 PolarHBondContact O-N 3.09Å; W33-N35 VanDerWaalsContact C-N 3.34Å; W33-N35 PolarHBondContact O-N 3.11Å; W33-L36 PolarHBondContact O-N 2.84Å; W33-Q37 HydrophobicContact CD2-CG 4.47Å; W33-Q37 HydrophobicContact CZ2-CG 4.45Å; W33-Q37 WeakPolarHBondContact O-CB 3.5Å; W33-Q37 VanDerWaalsContact O-CG 3.31Å; W33-Q37 WeakPolarHBondContact O-CG 3.37Å; W33-Q37 PolarHBondContact O-N 2.89Å; W33-P144 HydrophobicContact CD2-CB 4.4Å; W33-P144 HydrophobicContact CE3-CB 4.32Å; W33-P144 HydrophobicContact CH2-CB 3.83Å; W33-P144 VanDerWaalsContact CZ2-C 3.43Å; W33-P144 HydrophobicContact CZ2-CB 3.91Å; W33-P144 WeakPolarHBondContact CZ2-O 3.47Å; W33-P144 HydrophobicContact CZ3-CB 4.04Å; W33-L145 PolarHBondContact NE1-O 3.01Å; W33-E146 HydrophobicContact CZ2-CG 4.28Å; W33-W226 AromaticContact CE3-NE1 4Å; W33-W226 AromaticContact CZ3-NE1 3.82Å
34F97.4Very high95.8Very high3 Ų339.1 Ų39.11%0.01318%0.175CC..Hα-helixtrans-63.7-39.2179.4-73.4-62.4000112.1S30 A38 W74 C122 L123 W130 V135 I138 L139S30-F34 WeakPolarHBondContact O-CD2 3.46Å; S30-F34 PolarHBondContact O-N 2.96Å; F34-A38 WeakPolarHBondContact O-CB 3.46Å; F34-A38 PolarHBondContact O-N 3.38Å; F34-W74 HydrophobicContact CB-CZ2 4.45Å; F34-W74 AromaticContact CD2-CH2 3.69Å; F34-W74 HydrophobicContact CD2-CH2 3.69Å; F34-W74 AromaticContact CD2-CZ2 3.46Å; F34-W74 HydrophobicContact CD2-CZ2 3.46Å; F34-W74 VanDerWaalsContact CD2-CZ2 3.46Å; F34-W74 HydrophobicContact CE2-CH2 4.12Å; F34-W74 HydrophobicContact CE2-CZ2 4.08Å; F34-W74 HydrophobicContact CG-CZ2 4.3Å; F34-C122 HydrophobicContact CD1-CB 3.8Å; F34-C122 HydrophobicContact CD2-CB 4.27Å; F34-C122 HydrophobicContact CE1-CB 3.95Å; F34-C122 VanDerWaalsContact CE1-SG 3.55Å; F34-C122 HydrophobicContact CE2-CB 4.4Å; F34-C122 HydrophobicContact CG-CB 3.98Å; F34-C122 HydrophobicContact CZ-CB 4.25Å; F34-L123 HydrophobicContact CB-CD1 4.21Å; F34-L123 HydrophobicContact CB-CG 4.49Å; F34-L123 WeakPolarHBondContact O-CD1 3.29Å; F34-W130 HydrophobicContact CD1-CD2 4.14Å; F34-W130 AromaticContact CD1-CE2 3.73Å; F34-W130 HydrophobicContact CD1-CH2 4.16Å; F34-W130 AromaticContact CD1-CZ2 3.76Å; F34-W130 HydrophobicContact CD1-CZ2 3.76Å; F34-W130 AromaticContact CE1-CD2 3.68Å; F34-W130 HydrophobicContact CE1-CD2 3.68Å; F34-W130 AromaticContact CE1-CE2 3.78Å; F34-W130 AromaticContact CE1-CE3 3.82Å; F34-W130 HydrophobicContact CE1-CE3 3.82Å; F34-W130 HydrophobicContact CE1-CG 4.18Å; F34-W130 HydrophobicContact CE1-CH2 4.15Å; F34-W130 HydrophobicContact CE1-CZ2 4.04Å; F34-W130 HydrophobicContact CE1-CZ3 4.04Å; F34-V135 HydrophobicContact CZ-CG1 4.18Å; F34-V135 HydrophobicContact CZ-CG2 4.37Å; F34-I138 HydrophobicContact CD2-CG2 4.37Å; F34-I138 HydrophobicContact CE1-CD1 3.77Å; F34-I138 HydrophobicContact CE2-CB 4.3Å; F34-I138 HydrophobicContact CE2-CG2 3.63Å; F34-I138 HydrophobicContact CZ-CB 4.02Å; F34-I138 HydrophobicContact CZ-CD1 3.65Å; F34-I138 HydrophobicContact CZ-CG1 4.44Å; F34-I138 HydrophobicContact CZ-CG2 3.76Å; F34-L139 HydrophobicContact CE2-CD2 4.41Å
35N97.2Very high95.7Very high26 Ų2644.5 Ų44.514%0.13919%0.194CC..Hα-helixtrans-73.1-38.8179.3-76.3-73.9000112.9Y31 T32 W33 A38 R39 L63 L123Y31-N35 WeakPolarHBondContact CE2-ND2 3.39Å; Y31-N35 WeakPolarHBondContact O-CB 3.35Å; Y31-N35 PolarHBondContact O-N 3.24Å; Y31-N35 VanDerWaalsContact O-N 3.1Å; Y31-N35 PolarHBondContact O-ND2 2.98Å; T32-N35 PolarHBondContact O-N 2.86Å; W33-N35 VanDerWaalsContact C-N 3.34Å; W33-N35 PolarHBondContact O-N 3.11Å; N35-A38 PolarHBondContact O-N 2.84Å; N35-R39 WeakPolarHBondContact O-CB 3.4Å; N35-R39 WeakPolarHBondContact O-CG 3.39Å; N35-R39 PolarHBondContact O-N 3.31Å; N35-L63 HydrophobicContact CB-CD1 3.67Å; N35-L63 HydrophobicContact CB-CD2 3.62Å; N35-L63 HydrophobicContact CB-CG 4.31Å; N35-L123 WeakPolarHBondContact OD1-CD2 3.34Å
36L96.1Very high95.6Very high2 Ų249 Ų491%0.0121%0.213CC..Hα-helixtrans-59.5-48.5173174.563.1000110.3T32 W33 A38 R39 K40 V59 L63 V225T32-L36 WeakPolarHBondContact O-CB 3.46Å; T32-L36 PolarHBondContact O-N 2.83Å; W33-L36 PolarHBondContact O-N 2.84Å; L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 3.07Å; L36-R39 PolarHBondContact O-N 2.92Å; L36-R39 VanDerWaalsContact O-N 3.17Å; L36-K40 HydrophobicContact CD1-CD 4.16Å; L36-K40 HydrophobicContact CD1-CG 4.28Å; L36-K40 HydrophobicContact CG-CD 4.06Å; L36-K40 WeakPolarHBondContact O-CB 3.31Å; L36-K40 WeakPolarHBondContact O-CG 3.4Å; L36-K40 PolarHBondContact O-N 3.45Å; L36-V59 HydrophobicContact CD1-CB 4.29Å; L36-V59 HydrophobicContact CD1-CG1 3.69Å; L36-L63 HydrophobicContact CB-CD1 4.13Å; L36-V225 HydrophobicContact CD2-CG1 4.18Å
37Q95.7Very high95.4Very high20 Ų2053.2 Ų53.29%0.09323%0.232CC..Hα-helixtrans-63.1-36.2177.4-70.1-69.1000112.7W33 R41 W130 E146W33-Q37 HydrophobicContact CD2-CG 4.47Å; W33-Q37 HydrophobicContact CZ2-CG 4.45Å; W33-Q37 WeakPolarHBondContact O-CB 3.5Å; W33-Q37 VanDerWaalsContact O-CG 3.31Å; W33-Q37 WeakPolarHBondContact O-CG 3.37Å; W33-Q37 PolarHBondContact O-N 2.89Å; Q37-R41 WeakPolarHBondContact O-CG 3.44Å; Q37-R41 PolarHBondContact O-N 3.38Å; Q37-R41 VanDerWaalsContact O-N 3.16Å; Q37-W130 HydrophobicContact CB-CZ2 4.28Å; Q37-W130 HydrophobicContact CG-CH2 4.47Å; Q37-E146 PolarHBondContact NE2-OE1 3.42Å
38A96Very high95.4Very high17 Ų1757.5 Ų57.514%0.1426%0.256CS..Hα-helixtrans-67.8-40.3172.500000112.7F34 N35 L36 R41 K42 L123F34-A38 WeakPolarHBondContact O-CB 3.46Å; F34-A38 PolarHBondContact O-N 3.38Å; N35-A38 PolarHBondContact O-N 2.84Å; L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 3.07Å; A38-R41 PolarHBondContact O-N 3.03Å; A38-K42 WeakPolarHBondContact O-CG 3.18Å; A38-K42 PolarHBondContact O-N 2.82Å; A38-L123 HydrophobicContact CB-CD1 3.64Å
39R95.6Very high95.6Very high73 Ų7362.7 Ų62.728%0.27528%0.275SS..Hα-helixtrans-67.3-43.2176.6-74.1176.4179.2-144.73.5112N35 L36 R41 K42 Y43 V59 E62N35-R39 WeakPolarHBondContact O-CB 3.4Å; N35-R39 WeakPolarHBondContact O-CG 3.39Å; N35-R39 PolarHBondContact O-N 3.31Å; L36-R39 PolarHBondContact O-N 2.92Å; L36-R39 VanDerWaalsContact O-N 3.17Å; R39-R41 VanDerWaalsContact C-N 3.33Å; R39-R41 PolarHBondContact O-N 3.23Å; R39-K42 PolarHBondContact O-N 2.78Å; R39-Y43 WeakPolarHBondContact O-CB 3.27Å; R39-Y43 PolarHBondContact O-N 3.02Å; R39-V59 HydrophobicContact CB-CG1 4.09Å; R39-V59 HydrophobicContact CG-CG1 4.34Å; R39-E62 IonicContact CZ-OE1 3.85Å; R39-E62 IonicContact CZ-OE2 3.43Å; R39-E62 IonicContact NH1-OE1 2.92Å; R39-E62 PolarHBondContact NH1-OE1 2.84Å; R39-E62 VanDerWaalsContact NH1-OE1 3.11Å; R39-E62 IonicContact NH1-OE2 2.72Å; R39-E62 PolarHBondContact NH1-OE2 2.74Å; R39-E62 IonicContact NH2-OE1 3.58Å; R39-E62 PolarHBondContact NH2-OE1 3.06Å; R39-E62 IonicContact NH2-OE2 2.86Å
40K94.4Very high95.5Very high48 Ų4872.6 Ų72.621%0.20931%0.312CS..Hα-helixtrans-54.8-45.7171.9-73171.662.9146.60111.8L36 F44 M51 E56L36-K40 HydrophobicContact CD1-CD 4.16Å; L36-K40 HydrophobicContact CD1-CG 4.28Å; L36-K40 HydrophobicContact CG-CD 4.06Å; L36-K40 WeakPolarHBondContact O-CB 3.31Å; L36-K40 WeakPolarHBondContact O-CG 3.4Å; L36-K40 PolarHBondContact O-N 3.45Å; K40-F44 PolarHBondContact O-N 3.25Å; K40-M51 HydrophobicContact CG-SD 4.34Å; K40-E56 VanDerWaalsContact CD-CD 3.49Å; K40-E56 HydrophobicContact CD-CG 4.19Å; K40-E56 WeakPolarHBondContact CD-OE1 3.15Å; K40-E56 WeakPolarHBondContact CD-OE2 3.29Å; K40-E56 VanDerWaalsContact CE-CD 3.46Å; K40-E56 WeakPolarHBondContact CE-OE1 3.29Å; K40-E56 WeakPolarHBondContact CE-OE2 3.49Å; K40-E56 HydrophobicContact CG-CG 4.14Å; K40-E56 IonicContact NZ-OE1 3.5Å; K40-E56 PolarHBondContact NZ-OE1 2.93Å; K40-E56 IonicContact NZ-OE2 2.74Å; K40-E56 PolarHBondContact NZ-OE2 3.36Å
41R93.8Very high95.3Very high118 Ų11873.5 Ų73.545%0.44532%0.316SS..Hα-helixtrans-64.5-43.1174.9-73174.666.180.9-4.6112.9Q37 A38 R39 F44 K45 D127Q37-R41 WeakPolarHBondContact O-CG 3.44Å; Q37-R41 PolarHBondContact O-N 3.38Å; Q37-R41 VanDerWaalsContact O-N 3.16Å; A38-R41 PolarHBondContact O-N 3.03Å; R39-R41 VanDerWaalsContact C-N 3.33Å; R39-R41 PolarHBondContact O-N 3.23Å; R41-F44 PolarHBondContact O-N 3.21Å; R41-K45 WeakPolarHBondContact O-CB 3.43Å; R41-K45 PolarHBondContact O-N 2.64Å; R41-D127 PolarHBondContact NH2-O 2.74Å
42K94.4Very high95.1Very high113 Ų11374.8 Ų74.849%0.49133%0.328SS..Hα-helixtrans-66.1-39177.6-75.2-178.9179.1-175.40112.3A38 R39 K45 K46 Q125A38-K42 WeakPolarHBondContact O-CG 3.18Å; A38-K42 PolarHBondContact O-N 2.82Å; R39-K42 PolarHBondContact O-N 2.78Å; K42-K45 PolarHBondContact O-N 2.74Å; K42-K46 WeakPolarHBondContact O-CB 3.38Å; K42-K46 PolarHBondContact O-N 3.27Å; K42-K46 VanDerWaalsContact O-N 3.16Å; K42-Q125 VanDerWaalsContact CE-O 3.31Å; K42-Q125 WeakPolarHBondContact CE-O 3.5Å; K42-Q125 PolarHBondContact NZ-O 2.87Å
43Y94.8Very high94.8Very high41 Ų4178.9 Ų78.916%0.16135%0.345CS..Hα-helixtrans-62.1-51.1174.1-174.7-77.2000111R39 K45 K46 H47 K49 M51 E55R39-Y43 WeakPolarHBondContact O-CB 3.27Å; R39-Y43 PolarHBondContact O-N 3.02Å; Y43-K45 VanDerWaalsContact C-N 3.3Å; Y43-K45 PolarHBondContact O-N 3.49Å; Y43-K46 PolarHBondContact O-N 2.85Å; Y43-H47 HydrophobicContact CD1-CB 4.22Å; Y43-H47 AromaticContact CD2-CD2 3.89Å; Y43-H47 HydrophobicContact CE1-CB 3.98Å; Y43-H47 AromaticContact CE2-CD2 4Å; Y43-H47 WeakPolarHBondContact O-CB 3.09Å; Y43-H47 PolarHBondContact O-CD2 3.06Å; Y43-H47 PolarHBondContact O-N 2.71Å; Y43-K49 WeakPolarHBondContact CD1-O 3.46Å; Y43-M51 HydrophobicContact CD1-CB 4.02Å; Y43-M51 HydrophobicContact CD2-CE 3.62Å; Y43-M51 HydrophobicContact CD2-CG 4.35Å; Y43-M51 HydrophobicContact CE1-CB 4.26Å; Y43-M51 HydrophobicContact CE2-CE 4.49Å; Y43-M51 HydrophobicContact CE2-CG 4.43Å; Y43-M51 HydrophobicContact CG-CB 4.16Å; Y43-M51 HydrophobicContact CG-CE 3.73Å; Y43-M51 HydrophobicContact CG-CG 4.46Å; Y43-E55 WeakPolarHBondContact CE2-OE1 3.49Å; Y43-E55 VanDerWaalsContact CZ-OE1 3.23Å; Y43-E55 VanDerWaalsContact OH-CD 3.27Å; Y43-E55 PolarHBondContact OH-OE1 3.16Å; Y43-E55 PolarHBondContact OH-OE2 2.79Å
44F94.3Very high94.6Very high111 Ų11182.6 Ų82.649%0.48737%0.367SS..Hα-helixtrans-58.2-41.3177.2-174.2-92.5000112.2K40 R41 K46 E48 K49 R50K40-F44 PolarHBondContact O-N 3.25Å; R41-F44 PolarHBondContact O-N 3.21Å; F44-K46 PolarHBondContact O-N 3.06Å; F44-E48 VanDerWaalsContact CE2-O 3.29Å; F44-E48 WeakPolarHBondContact CE2-O 3.33Å; F44-E48 VanDerWaalsContact O-CA 3.23Å; F44-E48 WeakPolarHBondContact O-CA 3.28Å; F44-E48 PolarHBondContact O-N 2.7Å; F44-K49 WeakPolarHBondContact CA-O 3.48Å; F44-R50 HydrophobicContact CD2-CG 4.44Å
45K94.1Very high94.5Very high152 Ų15285.6 Ų85.666%0.66138%0.381SS*.Hα-helixtrans-65.7-21176.2-166.1-179.6-176.2-175.80113.9R41 K42 Y43 D127R41-K45 WeakPolarHBondContact O-CB 3.43Å; R41-K45 PolarHBondContact O-N 2.64Å; K42-K45 PolarHBondContact O-N 2.74Å; Y43-K45 VanDerWaalsContact C-N 3.3Å; Y43-K45 PolarHBondContact O-N 3.49Å; K45-D127 IonicContact NZ-OD2 3.69Å; K45-D127 PolarHBondContact NZ-OD2 3.18Å
46K95.3Very high94.4Very high161 Ų16185.3 Ų85.370%0.738%0.379SS*.Hα-helixtrans-99.3-31.6-179-179.2-177.1169.6-1550113.3K42 Y43 F44K42-K46 WeakPolarHBondContact O-CB 3.38Å; K42-K46 PolarHBondContact O-N 3.27Å; K42-K46 VanDerWaalsContact O-N 3.16Å; Y43-K46 PolarHBondContact O-N 2.85Å; F44-K46 PolarHBondContact O-N 3.06Å
47H94.4Very high94.3Very high90 Ų9089.1 Ų89.142%0.41739%0.393SS..Hα-helixtrans-119.5-2.7-169.9-65.3-80000113.8Y43 K49Y43-H47 HydrophobicContact CD1-CB 4.22Å; Y43-H47 AromaticContact CD2-CD2 3.89Å; Y43-H47 HydrophobicContact CE1-CB 3.98Å; Y43-H47 AromaticContact CE2-CD2 4Å; Y43-H47 WeakPolarHBondContact O-CB 3.09Å; Y43-H47 PolarHBondContact O-CD2 3.06Å; Y43-H47 PolarHBondContact O-N 2.71Å; H47-K49 WeakPolarHBondContact O-CB 3.26Å; H47-K49 PolarHBondContact O-N 3.48Å
48E96.3Very high94.3Very high172 Ų17291.1 Ų91.180%0.80441%0.413SS*.SBendtrans53.37.2-174.6-55.7-162.5132.900115.5F44F44-E48 VanDerWaalsContact CE2-O 3.29Å; F44-E48 WeakPolarHBondContact CE2-O 3.33Å; F44-E48 VanDerWaalsContact O-CA 3.23Å; F44-E48 WeakPolarHBondContact O-CA 3.28Å; F44-E48 PolarHBondContact O-N 2.7Å
49K95.4Very high94.4Very high130 Ų13091.3 Ų91.357%0.56541%0.412SS*.SBendtrans-118148.5-175.4-169-166.6172-170.90109.3Y43 F44 H47Y43-K49 WeakPolarHBondContact CD1-O 3.46Å; F44-K49 WeakPolarHBondContact CA-O 3.48Å; H47-K49 WeakPolarHBondContact O-CB 3.26Å; H47-K49 PolarHBondContact O-N 3.48Å
50R92.8Very high94.4Very high209 Ų20988.1 Ų88.179%0.78940%0.4SS*.PPolyproline II helixtrans-67.4142.9167.2-66.5-178.5-179.1173.40.3109.8F44F44-R50 HydrophobicContact CD2-CG 4.44Å
51M92Very high94.4Very high19 Ų1989.7 Ų89.79%0.09441%0.411CS..PPolyproline II helixtrans-59140170.5-169.7177.2-73.300109.2K40 Y43 E55 E56 V59K40-M51 HydrophobicContact CG-SD 4.34Å; Y43-M51 HydrophobicContact CD1-CB 4.02Å; Y43-M51 HydrophobicContact CD2-CE 3.62Å; Y43-M51 HydrophobicContact CD2-CG 4.35Å; Y43-M51 HydrophobicContact CE1-CB 4.26Å; Y43-M51 HydrophobicContact CE2-CE 4.49Å; Y43-M51 HydrophobicContact CE2-CG 4.43Å; Y43-M51 HydrophobicContact CG-CB 4.16Å; Y43-M51 HydrophobicContact CG-CE 3.73Å; Y43-M51 HydrophobicContact CG-CG 4.46Å; M51-E55 HydrophobicContact CG-CB 3.34Å; M51-E55 HydrophobicContact CG-CG 4.45Å; M51-E55 HydrophobicContact SD-CB 4.09Å; M51-E56 HydrophobicContact CB-CG 3.81Å; M51-E56 HydrophobicContact CG-CG 3.61Å; M51-E56 HydrophobicContact SD-CB 4.24Å; M51-E56 HydrophobicContact SD-CG 3.53Å; M51-E56 VanDerWaalsContact SD-CG 3.53Å; M51-V59 HydrophobicContact CE-CG2 4.31Å; M51-V59 HydrophobicContact SD-CB 4.48Å; M51-V59 HydrophobicContact SD-CG2 4.12Å
52S93.1Very high94.6Very high43 Ų4389.2 Ų89.230%0.30141%0.414SS..PPolyproline II helixtrans-72.8164.317665.20000111.7D54 E55 E56S52-D54 PolarHBondContact O-N 2.8Å; S52-E55 WeakPolarHBondContact CB-OE2 3.32Å; S52-E55 PolarHBondContact N-OE2 2.9Å; S52-E55 PolarHBondContact O-N 3.23Å; S52-E55 VanDerWaalsContact OG-CD 3.3Å; S52-E55 VanDerWaalsContact OG-CG 3.3Å; S52-E55 WeakPolarHBondContact OG-CG 3.42Å; S52-E55 PolarHBondContact OG-N 3.02Å; S52-E55 PolarHBondContact OG-OE2 3.37Å; S52-E56 WeakPolarHBondContact O-CB 3.23Å; S52-E56 WeakPolarHBondContact O-CG 3.36Å; S52-E56 PolarHBondContact O-N 2.94Å
53K90.6Very high94.7Very high87 Ų8783.9 Ų83.938%0.37839%0.391SS..Hα-helixtrans-60.5-33.3178.2-66.9-173.1175.8-173.80112.3R57 T222 S223K53-R57 WeakPolarHBondContact O-CB 3.31Å; K53-R57 WeakPolarHBondContact O-CG 3.31Å; K53-R57 PolarHBondContact O-N 2.93Å; K53-T222 PolarHBondContact NZ-O 2.87Å; K53-S223 VanDerWaalsContact CD-O 3.28Å; K53-S223 WeakPolarHBondContact CD-O 3.35Å; K53-S223 VanDerWaalsContact CE-O 3.26Å; K53-S223 WeakPolarHBondContact CE-O 3.06Å; K53-S223 WeakPolarHBondContact CG-O 3.37Å
54D92.7Very high94.7Very high99 Ų9984.7 Ų84.753%0.52940%0.398SS..Hα-helixtrans-75.1-41.4179.5-56.1-76.4000112.2S52 R57 A58S52-D54 PolarHBondContact O-N 2.8Å; D54-R57 PolarHBondContact O-N 2.99Å; D54-R57 IonicContact OD1-CZ 3.11Å; D54-R57 IonicContact OD1-NH1 2.7Å; D54-R57 PolarHBondContact OD1-NH1 3.13Å; D54-R57 IonicContact OD1-NH2 3.99Å; D54-R57 PolarHBondContact OD1-NH2 3.28Å; D54-R57 IonicContact OD2-NH2 2.71Å; D54-A58 WeakPolarHBondContact O-CB 3.48Å; D54-A58 PolarHBondContact O-N 3.45Å
55E95.1Very high94.8Very high66 Ų6682.6 Ų82.631%0.30841%0.407SS..Hα-helixtrans-64.2-41.4170.4-69.6163.312200111.5Y43 M51 S52 R57 A58 V59Y43-E55 WeakPolarHBondContact CE2-OE1 3.49Å; Y43-E55 VanDerWaalsContact CZ-OE1 3.23Å; Y43-E55 VanDerWaalsContact OH-CD 3.27Å; Y43-E55 PolarHBondContact OH-OE1 3.16Å; Y43-E55 PolarHBondContact OH-OE2 2.79Å; M51-E55 HydrophobicContact CG-CB 3.34Å; M51-E55 HydrophobicContact CG-CG 4.45Å; M51-E55 HydrophobicContact SD-CB 4.09Å; S52-E55 WeakPolarHBondContact CB-OE2 3.32Å; S52-E55 PolarHBondContact N-OE2 2.9Å; S52-E55 PolarHBondContact O-N 3.23Å; S52-E55 VanDerWaalsContact OG-CD 3.3Å; S52-E55 VanDerWaalsContact OG-CG 3.3Å; S52-E55 WeakPolarHBondContact OG-CG 3.42Å; S52-E55 PolarHBondContact OG-N 3.02Å; S52-E55 PolarHBondContact OG-OE2 3.37Å; E55-R57 VanDerWaalsContact C-N 3.33Å; E55-R57 PolarHBondContact O-N 3.17Å; E55-A58 PolarHBondContact O-N 2.85Å; E55-V59 WeakPolarHBondContact O-CB 3.42Å; E55-V59 VanDerWaalsContact O-CG2 3.29Å; E55-V59 WeakPolarHBondContact O-CG2 3.45Å; E55-V59 PolarHBondContact O-N 3.1Å
56E95.4Very high94.9Very high21 Ų2178 Ų7810%0.09839%0.388CS..Hα-helixtrans-65.6-34.1175.9-74.3-165.9-163.900112.2K40 M51 S52 K60 V225K40-E56 VanDerWaalsContact CD-CD 3.49Å; K40-E56 HydrophobicContact CD-CG 4.19Å; K40-E56 WeakPolarHBondContact CD-OE1 3.15Å; K40-E56 WeakPolarHBondContact CD-OE2 3.29Å; K40-E56 VanDerWaalsContact CE-CD 3.46Å; K40-E56 WeakPolarHBondContact CE-OE1 3.29Å; K40-E56 WeakPolarHBondContact CE-OE2 3.49Å; K40-E56 HydrophobicContact CG-CG 4.14Å; K40-E56 IonicContact NZ-OE1 3.5Å; K40-E56 PolarHBondContact NZ-OE1 2.93Å; K40-E56 IonicContact NZ-OE2 2.74Å; K40-E56 PolarHBondContact NZ-OE2 3.36Å; M51-E56 HydrophobicContact CB-CG 3.81Å; M51-E56 HydrophobicContact CG-CG 3.61Å; M51-E56 HydrophobicContact SD-CB 4.24Å; M51-E56 HydrophobicContact SD-CG 3.53Å; M51-E56 VanDerWaalsContact SD-CG 3.53Å; S52-E56 WeakPolarHBondContact O-CB 3.23Å; S52-E56 WeakPolarHBondContact O-CG 3.36Å; S52-E56 PolarHBondContact O-N 2.94Å; E56-K60 WeakPolarHBondContact O-CB 3.47Å; E56-K60 PolarHBondContact O-N 3.25Å; E56-V225 HydrophobicContact CB-CG1 4.28Å; E56-V225 HydrophobicContact CB-CG2 3.5Å; E56-V225 HydrophobicContact CG-CG2 4.46Å
57R94.8Very high94.9Very high81 Ų8176.8 Ų76.831%0.30638%0.383SS..Hα-helixtrans-68.3-50.6171.5-84.5-172.6-94.694.12.7112.2K53 D54 E55 V59 K60 D61 G224K53-R57 WeakPolarHBondContact O-CB 3.31Å; K53-R57 WeakPolarHBondContact O-CG 3.31Å; K53-R57 PolarHBondContact O-N 2.93Å; D54-R57 PolarHBondContact O-N 2.99Å; D54-R57 IonicContact OD1-CZ 3.11Å; D54-R57 IonicContact OD1-NH1 2.7Å; D54-R57 PolarHBondContact OD1-NH1 3.13Å; D54-R57 IonicContact OD1-NH2 3.99Å; D54-R57 PolarHBondContact OD1-NH2 3.28Å; D54-R57 IonicContact OD2-NH2 2.71Å; E55-R57 VanDerWaalsContact C-N 3.33Å; E55-R57 PolarHBondContact O-N 3.17Å; R57-V59 PolarHBondContact O-N 3.49Å; R57-K60 WeakPolarHBondContact O-CA 3.29Å; R57-K60 VanDerWaalsContact O-CB 3.31Å; R57-K60 WeakPolarHBondContact O-CB 3.38Å; R57-K60 PolarHBondContact O-N 2.97Å; R57-D61 VanDerWaalsContact O-CG 3.27Å; R57-D61 PolarHBondContact O-N 3Å; R57-G224 VanDerWaalsContact CD-O 3.26Å; R57-G224 WeakPolarHBondContact CD-O 3.15Å; R57-G224 PolarHBondContact NE-O 2.82Å
58A95.9Very high94.9Very high62 Ų6275.8 Ų75.851%0.51238%0.384SS..Hα-helixtrans-56.2-41177.500000111.9D54 E55 D61 E62D54-A58 WeakPolarHBondContact O-CB 3.48Å; D54-A58 PolarHBondContact O-N 3.45Å; E55-A58 PolarHBondContact O-N 2.85Å; A58-D61 PolarHBondContact O-N 3.43Å; A58-E62 WeakPolarHBondContact O-CB 3.33Å; A58-E62 PolarHBondContact O-N 2.86Å
59V96.9Very high94.8Very high21 Ų2173.3 Ų73.313%0.12737%0.373CS..Hα-helixtrans-67.9-38.3174.3167.60000112.8L36 R39 M51 E55 R57 L63L36-V59 HydrophobicContact CD1-CB 4.29Å; L36-V59 HydrophobicContact CD1-CG1 3.69Å; R39-V59 HydrophobicContact CB-CG1 4.09Å; R39-V59 HydrophobicContact CG-CG1 4.34Å; M51-V59 HydrophobicContact CE-CG2 4.31Å; M51-V59 HydrophobicContact SD-CB 4.48Å; M51-V59 HydrophobicContact SD-CG2 4.12Å; E55-V59 WeakPolarHBondContact O-CB 3.42Å; E55-V59 VanDerWaalsContact O-CG2 3.29Å; E55-V59 WeakPolarHBondContact O-CG2 3.45Å; E55-V59 PolarHBondContact O-N 3.1Å; R57-V59 PolarHBondContact O-N 3.49Å; V59-L63 HydrophobicContact CG1-CD1 3.96Å; V59-L63 WeakPolarHBondContact O-CB 3.37Å; V59-L63 WeakPolarHBondContact O-CD1 3.24Å; V59-L63 VanDerWaalsContact O-CG 3.25Å; V59-L63 WeakPolarHBondContact O-CG 3.42Å; V59-L63 PolarHBondContact O-N 2.93Å
60K95.4Very high94.8Very high6 Ų670.7 Ų70.73%0.02636%0.364CS..Hα-helixtrans-59.4-48.5172.9-179.5-159.372.6179.40110.4T32 E56 R57 L63 L64 V225 W226 E230T32-K60 HydrophobicContact CG2-CG 4.3Å; E56-K60 WeakPolarHBondContact O-CB 3.47Å; E56-K60 PolarHBondContact O-N 3.25Å; R57-K60 WeakPolarHBondContact O-CA 3.29Å; R57-K60 VanDerWaalsContact O-CB 3.31Å; R57-K60 WeakPolarHBondContact O-CB 3.38Å; R57-K60 PolarHBondContact O-N 2.97Å; K60-L63 CarbonylContact O-C 3.57Å; K60-L63 PolarHBondContact O-N 3.48Å; K60-L64 HydrophobicContact CD-CD1 4.15Å; K60-L64 HydrophobicContact CG-CD1 3.89Å; K60-L64 HydrophobicContact CG-CG 4.41Å; K60-L64 WeakPolarHBondContact O-CB 3.47Å; K60-L64 WeakPolarHBondContact O-CG 3.33Å; K60-L64 PolarHBondContact O-N 3.2Å; K60-V225 HydrophobicContact CB-CG1 4.16Å; K60-V225 HydrophobicContact CD-CG1 4.11Å; K60-V225 VanDerWaalsContact CD-O 3.27Å; K60-V225 WeakPolarHBondContact CD-O 3.31Å; K60-V225 WeakPolarHBondContact CE-O 3.49Å; K60-V225 HydrophobicContact CG-CG1 4.48Å; K60-V225 PolarHBondContact NZ-O 3.17Å; K60-W226 HydrophobicContact CD-CD2 3.75Å; K60-W226 HydrophobicContact CD-CE3 3.74Å; K60-W226 HydrophobicContact CD-CG 4.45Å; K60-W226 HydrophobicContact CD-CH2 3.91Å; K60-W226 HydrophobicContact CD-CZ2 3.92Å; K60-W226 HydrophobicContact CD-CZ3 3.8Å; K60-W226 HydrophobicContact CG-CD2 4.42Å; K60-W226 HydrophobicContact CG-CE3 4.48Å; K60-W226 HydrophobicContact CG-CH2 3.75Å; K60-W226 HydrophobicContact CG-CZ2 3.65Å; K60-W226 HydrophobicContact CG-CZ3 4.15Å; K60-E230 IonicContact NZ-OE1 2.69Å; K60-E230 IonicContact NZ-OE2 2.67Å; K60-E230 PolarHBondContact NZ-OE2 3.24Å
61D95.6Very high95Very high82 Ų8262 Ų6244%0.43933%0.332SS..Hα-helixtrans-70.2-38.6-172.7-62.4-31.6000111.7R57 A58 L63 L64 G65R57-D61 VanDerWaalsContact O-CG 3.27Å; R57-D61 PolarHBondContact O-N 3Å; A58-D61 PolarHBondContact O-N 3.43Å; D61-L63 PolarHBondContact O-N 2.87Å; D61-L64 PolarHBondContact O-N 3.1Å; D61-G65 PolarHBondContact O-N 3.36Å
62E97.3Very high95.2Very high107 Ų10764 Ų6450%0.534%0.341SS..Hα-helixtrans-58.1-47.3169.4-169.1-157.1134.100111.8R39 A58 L64 G65 E66R39-E62 IonicContact CZ-OE1 3.85Å; R39-E62 IonicContact CZ-OE2 3.43Å; R39-E62 IonicContact NH1-OE1 2.92Å; R39-E62 PolarHBondContact NH1-OE1 2.84Å; R39-E62 VanDerWaalsContact NH1-OE1 3.11Å; R39-E62 IonicContact NH1-OE2 2.72Å; R39-E62 PolarHBondContact NH1-OE2 2.74Å; R39-E62 IonicContact NH2-OE1 3.58Å; R39-E62 PolarHBondContact NH2-OE1 3.06Å; R39-E62 IonicContact NH2-OE2 2.86Å; A58-E62 WeakPolarHBondContact O-CB 3.33Å; A58-E62 PolarHBondContact O-N 2.86Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 PolarHBondContact O-N 2.81Å; E62-G65 PolarHBondContact O-N 3.27Å; E62-E66 PolarHBondContact O-N 2.87Å
63L96.8Very high95.2Very high2 Ų266.4 Ų66.41%0.0135%0.346CS..Hα-helixtrans-71-22.3178.7-70.8172.1000113.4Y31 T32 N35 L36 V59 K60 D61 K71Y31-L63 HydrophobicContact CE1-CD2 3.84Å; T32-L63 HydrophobicContact CG2-CB 3.84Å; T32-L63 PolarHBondContact OG1-O 3.5Å; N35-L63 HydrophobicContact CB-CD1 3.67Å; N35-L63 HydrophobicContact CB-CD2 3.62Å; N35-L63 HydrophobicContact CB-CG 4.31Å; L36-L63 HydrophobicContact CB-CD1 4.13Å; V59-L63 HydrophobicContact CG1-CD1 3.96Å; V59-L63 WeakPolarHBondContact O-CB 3.37Å; V59-L63 WeakPolarHBondContact O-CD1 3.24Å; V59-L63 VanDerWaalsContact O-CG 3.25Å; V59-L63 WeakPolarHBondContact O-CG 3.42Å; V59-L63 PolarHBondContact O-N 2.93Å; K60-L63 CarbonylContact O-C 3.57Å; K60-L63 PolarHBondContact O-N 3.48Å; D61-L63 PolarHBondContact O-N 2.87Å; L63-K71 VanDerWaalsContact O-CE 3.23Å; L63-K71 WeakPolarHBondContact O-CE 3.42Å
64L94.8Very high95.5Very high58 Ų5863.4 Ų63.430%0.30433%0.332SS..Hα-helixtrans-77.4-38.5169.1-75.8171.5000111.3T32 K60 D61 E62 E66 K71 W226 V234T32-L64 HydrophobicContact CG2-CD2 4.33Å; T32-L64 HydrophobicContact CG2-CG 4.16Å; K60-L64 HydrophobicContact CD-CD1 4.15Å; K60-L64 HydrophobicContact CG-CD1 3.89Å; K60-L64 HydrophobicContact CG-CG 4.41Å; K60-L64 WeakPolarHBondContact O-CB 3.47Å; K60-L64 WeakPolarHBondContact O-CG 3.33Å; K60-L64 PolarHBondContact O-N 3.2Å; D61-L64 PolarHBondContact O-N 3.1Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 PolarHBondContact O-N 2.81Å; L64-E66 VanDerWaalsContact C-N 3.31Å; L64-E66 PolarHBondContact O-N 3.44Å; L64-K71 PolarHBondContact O-NZ 3.21Å; L64-W226 HydrophobicContact CD1-CH2 4.12Å; L64-W226 HydrophobicContact CD1-CZ3 4.06Å; L64-W226 HydrophobicContact CD2-CH2 4.12Å; L64-W226 HydrophobicContact CD2-CZ3 4.46Å; L64-W226 HydrophobicContact CG-CH2 4.34Å; L64-V234 HydrophobicContact CD2-CG1 4.18Å
65G95.1Very high95.8Very high66 Ų6658.7 Ų58.768%0.6831%0.308SS*.Hα-helixtrans-71.5-18.9174.200000115D61 E62D61-G65 PolarHBondContact O-N 3.36Å; E62-G65 PolarHBondContact O-N 3.27Å
66E96.7Very high95.9Very high55 Ų5556.4 Ų56.426%0.25730%0.299SS..SBendtrans-51141.9177.917766.6-67.700113.3Y31 E62 L64 I70 K71Y31-E66 HydrophobicContact CE1-CB 4.18Å; Y31-E66 HydrophobicContact CE1-CG 3.83Å; Y31-E66 PolarHBondContact OH-OE2 3.16Å; E62-E66 PolarHBondContact O-N 2.87Å; L64-E66 VanDerWaalsContact C-N 3.31Å; L64-E66 PolarHBondContact O-N 3.44Å; E66-I70 HydrophobicContact CG-CB 4.19Å; E66-I70 HydrophobicContact CG-CG2 3.96Å; E66-I70 VanDerWaalsContact OE1-CD1 3.27Å; E66-I70 WeakPolarHBondContact OE1-CD1 3.42Å; E66-K71 HydrophobicContact CG-CG 4.46Å; E66-K71 WeakPolarHBondContact O-CE 3.21Å; E66-K71 PolarHBondContact O-NZ 2.69Å
67K95.6Very high95.9Very high137 Ų13762.3 Ų62.360%0.59632%0.32SS*.  trans-63.1141.1-170-63.5-170.5176.2-174.80112.9E69 I70 K71K67-E69 VanDerWaalsContact C-N 3.25Å; K67-E69 WeakPolarHBondContact CB-OE2 3.34Å; K67-E69 PolarHBondContact O-N 3.21Å; K67-I70 HydrophobicContact CB-CD1 4.18Å; K67-I70 HydrophobicContact CB-CG1 4.42Å; K67-I70 WeakPolarHBondContact O-CB 3.35Å; K67-I70 PolarHBondContact O-N 3.44Å; K67-K71 PolarHBondContact O-N 3.29Å
68P93.8Very high96Very high69 Ų6958.7 Ų58.745%0.44831%0.307SS..Hα-helixtrans-62.1-31.6-176.324.6-32.2000112.7I70 K71 Q72P68-I70 VanDerWaalsContact C-N 3.3Å; P68-I70 PolarHBondContact O-N 3.09Å; P68-K71 PolarHBondContact O-N 2.97Å; P68-Q72 WeakPolarHBondContact O-CB 3.12Å; P68-Q72 WeakPolarHBondContact O-CG 3.31Å; P68-Q72 PolarHBondContact O-N 3.43Å
69E95.3Very high96.1Very high120 Ų12055.8 Ų55.856%0.56128%0.283SS*.Hα-helixtrans-64.4-35176.6-55.372.3-15600111.6K67 K73K67-E69 VanDerWaalsContact C-N 3.25Å; K67-E69 WeakPolarHBondContact CB-OE2 3.34Å; K67-E69 PolarHBondContact O-N 3.21Å; E69-K73 WeakPolarHBondContact O-CB 3.42Å; E69-K73 PolarHBondContact O-N 3.01Å
70I95.8Very high96.1Very high75 Ų7555 Ų5539%0.38528%0.279SS..Hα-helixtrans-70.2-41.1176.7-67.8169.9000109.9Y31 E66 K67 P68 K73 W74Y31-I70 HydrophobicContact CE2-CG2 4.28Å; E66-I70 HydrophobicContact CG-CB 4.19Å; E66-I70 HydrophobicContact CG-CG2 3.96Å; E66-I70 VanDerWaalsContact OE1-CD1 3.27Å; E66-I70 WeakPolarHBondContact OE1-CD1 3.42Å; K67-I70 HydrophobicContact CB-CD1 4.18Å; K67-I70 HydrophobicContact CB-CG1 4.42Å; K67-I70 WeakPolarHBondContact O-CB 3.35Å; K67-I70 PolarHBondContact O-N 3.44Å; P68-I70 VanDerWaalsContact C-N 3.3Å; P68-I70 PolarHBondContact O-N 3.09Å; I70-K73 PolarHBondContact O-N 3.49Å; I70-W74 WeakPolarHBondContact O-CB 3.35Å; I70-W74 PolarHBondContact O-N 3.24Å
71K95.8Very high96.1Very high26 Ų2657.9 Ų57.911%0.11329%0.291CS..Hα-helixtrans-64.3-44.3175.3-62.5174.5172.5146.70111.6Y31 L63 L64 E66 K67 P68 W74 A75 V239Y31-K71 HydrophobicContact CD1-CD 4.35Å; Y31-K71 HydrophobicContact CD1-CG 3.77Å; Y31-K71 HydrophobicContact CD2-CB 4.28Å; Y31-K71 HydrophobicContact CD2-CG 4.04Å; Y31-K71 HydrophobicContact CE1-CG 4.2Å; Y31-K71 HydrophobicContact CE2-CG 4.41Å; Y31-K71 HydrophobicContact CG-CB 4.23Å; Y31-K71 HydrophobicContact CG-CG 3.71Å; L63-K71 VanDerWaalsContact O-CE 3.23Å; L63-K71 WeakPolarHBondContact O-CE 3.42Å; L64-K71 PolarHBondContact O-NZ 3.21Å; E66-K71 HydrophobicContact CG-CG 4.46Å; E66-K71 WeakPolarHBondContact O-CE 3.21Å; E66-K71 PolarHBondContact O-NZ 2.69Å; K67-K71 PolarHBondContact O-N 3.29Å; P68-K71 PolarHBondContact O-N 2.97Å; K71-W74 PolarHBondContact O-N 3.47Å; K71-A75 WeakPolarHBondContact O-CB 3.32Å; K71-A75 PolarHBondContact O-N 3.02Å; K71-V239 HydrophobicContact CB-CG2 3.68Å
72Q95.9Very high96.2Very high60 Ų6054 Ų5428%0.2827%0.27SS..Hα-helixtrans-66.3-43.5175.2-71.6178.62400112.3L23 P68 W74 A75 S76 V239 A240L23-Q72 HydrophobicContact CD2-CB 4.49Å; P68-Q72 WeakPolarHBondContact O-CB 3.12Å; P68-Q72 WeakPolarHBondContact O-CG 3.31Å; P68-Q72 PolarHBondContact O-N 3.43Å; Q72-W74 VanDerWaalsContact C-N 3.27Å; Q72-W74 PolarHBondContact O-N 2.95Å; Q72-A75 PolarHBondContact O-N 2.99Å; Q72-A75 VanDerWaalsContact O-N 3.12Å; Q72-S76 WeakPolarHBondContact O-CB 3.41Å; Q72-S76 PolarHBondContact O-N 3.44Å; Q72-V239 HydrophobicContact CG-CG2 4.36Å; Q72-V239 WeakPolarHBondContact CG-O 3.49Å; Q72-V239 PolarHBondContact NE2-O 2.88Å; Q72-A240 HydrophobicContact CG-CB 4.13Å
73K95.1Very high96.2Very high94 Ų9451.4 Ų51.441%0.40926%0.256SS..Hα-helixtrans-65.2-31.7177.3-167.7156.8-166.9131.20112E14 E69 I70 R77E14-K73 WeakPolarHBondContact OE1-CE 3.43Å; E14-K73 IonicContact OE1-NZ 2.69Å; E14-K73 PolarHBondContact OE1-NZ 3.25Å; E69-K73 WeakPolarHBondContact O-CB 3.42Å; E69-K73 PolarHBondContact O-N 3.01Å; I70-K73 PolarHBondContact O-N 3.49Å; K73-R77 WeakPolarHBondContact O-CB 3.21Å; K73-R77 VanDerWaalsContact O-CD 3.23Å; K73-R77 WeakPolarHBondContact O-CD 3.3Å; K73-R77 WeakPolarHBondContact O-CG 3.5Å; K73-R77 PolarHBondContact O-N 2.86Å
74W96.8Very high96.2Very high24 Ų2455 Ų559%0.09127%0.271CS..Hα-helixtrans-66.4-50.2167.1167.179.1000112.2Y31 F34 I70 K71 Q72 S76 R77 L78 C122 L139Y31-W74 HydrophobicContact CD2-CB 3.8Å; Y31-W74 AromaticContact CD2-CD2 3.74Å; Y31-W74 HydrophobicContact CD2-CD2 3.74Å; Y31-W74 AromaticContact CD2-CE3 3.78Å; Y31-W74 HydrophobicContact CD2-CE3 3.78Å; Y31-W74 AromaticContact CD2-CG 3.74Å; Y31-W74 HydrophobicContact CD2-CG 3.74Å; Y31-W74 HydrophobicContact CE2-CB 3.98Å; Y31-W74 HydrophobicContact CE2-CG 4.16Å; Y31-W74 HydrophobicContact CG-CE3 4.27Å; F34-W74 HydrophobicContact CB-CZ2 4.45Å; F34-W74 AromaticContact CD2-CH2 3.69Å; F34-W74 HydrophobicContact CD2-CH2 3.69Å; F34-W74 AromaticContact CD2-CZ2 3.46Å; F34-W74 HydrophobicContact CD2-CZ2 3.46Å; F34-W74 VanDerWaalsContact CD2-CZ2 3.46Å; F34-W74 HydrophobicContact CE2-CH2 4.12Å; F34-W74 HydrophobicContact CE2-CZ2 4.08Å; F34-W74 HydrophobicContact CG-CZ2 4.3Å; I70-W74 WeakPolarHBondContact O-CB 3.35Å; I70-W74 PolarHBondContact O-N 3.24Å; K71-W74 PolarHBondContact O-N 3.47Å; Q72-W74 VanDerWaalsContact C-N 3.27Å; Q72-W74 PolarHBondContact O-N 2.95Å; W74-S76 PolarHBondContact O-N 3.05Å; W74-R77 PolarHBondContact O-N 3.22Å; W74-L78 HydrophobicContact CH2-CD2 3.9Å; W74-L78 HydrophobicContact CZ2-CD2 3.42Å; W74-L78 VanDerWaalsContact CZ2-CD2 3.42Å; W74-L78 PolarHBondContact O-N 3.22Å; W74-C122 PolarHBondContact NE1-O 3.48Å; W74-L139 HydrophobicContact CH2-CD2 3.73Å; W74-L139 HydrophobicContact CZ3-CD2 4.28Å
75A97.5Very high96.3Very high1 Ų153.3 Ų53.31%0.00826%0.262CS..Hα-helixtrans-63.3-43.5-176.900000112.5L23 V26 K71 Q72 L78 L79 V239L23-A75 HydrophobicContact CD1-CB 3.65Å; V26-A75 HydrophobicContact CG1-CB 4.16Å; K71-A75 WeakPolarHBondContact O-CB 3.32Å; K71-A75 PolarHBondContact O-N 3.02Å; Q72-A75 PolarHBondContact O-N 2.99Å; Q72-A75 VanDerWaalsContact O-N 3.12Å; A75-L78 PolarHBondContact O-N 3.31Å; A75-L78 VanDerWaalsContact O-N 3.13Å; A75-L79 WeakPolarHBondContact O-CB 3.38Å; A75-L79 WeakPolarHBondContact O-CG 3.27Å; A75-L79 PolarHBondContact O-N 3.08Å; A75-V239 HydrophobicContact CB-CG1 3.77Å; A75-V239 HydrophobicContact CB-CG2 4.25Å
76S96.7Very high96.5Very high17 Ų1750.1 Ų50.112%0.11923%0.23CC..Hα-helixtrans-56.3-49.9172.4163.60000111.7Q72 W74 L78 L79 A80Q72-S76 WeakPolarHBondContact O-CB 3.41Å; Q72-S76 PolarHBondContact O-N 3.44Å; W74-S76 PolarHBondContact O-N 3.05Å; S76-L78 PolarHBondContact O-N 2.95Å; S76-L79 PolarHBondContact O-N 3.37Å; S76-A80 PolarHBondContact O-N 3.45Å
77R96Very high96.6Very high146 Ų14651.5 Ų51.555%0.55123%0.233SC*.Hα-helixtrans-61.4-28.1175.8-73.9170172.3174.5-6.7113.6K73 W74K73-R77 WeakPolarHBondContact O-CB 3.21Å; K73-R77 VanDerWaalsContact O-CD 3.23Å; K73-R77 WeakPolarHBondContact O-CD 3.3Å; K73-R77 WeakPolarHBondContact O-CG 3.5Å; K73-R77 PolarHBondContact O-N 2.86Å; W74-R77 PolarHBondContact O-N 3.22Å
78L97.6Very high96.7Very high5 Ų548.2 Ų48.23%0.02623%0.225CC..Hα-helixtrans-80.5-41.7174.4-174.950.9000111.5W74 A75 S76 A80 K81 L82 I120 C122 V135 L139W74-L78 HydrophobicContact CH2-CD2 3.9Å; W74-L78 HydrophobicContact CZ2-CD2 3.42Å; W74-L78 VanDerWaalsContact CZ2-CD2 3.42Å; W74-L78 PolarHBondContact O-N 3.22Å; A75-L78 PolarHBondContact O-N 3.31Å; A75-L78 VanDerWaalsContact O-N 3.13Å; S76-L78 PolarHBondContact O-N 2.95Å; L78-A80 VanDerWaalsContact C-N 3.27Å; L78-A80 PolarHBondContact O-N 3.4Å; L78-K81 HydrophobicContact CD1-CD 4.47Å; L78-K81 WeakPolarHBondContact O-CA 3.47Å; L78-K81 WeakPolarHBondContact O-CB 3.32Å; L78-K81 PolarHBondContact O-N 2.85Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 3.32Å; L78-I120 HydrophobicContact CD1-CD1 4.02Å; L78-C122 HydrophobicContact CD2-CB 4.26Å; L78-V135 HydrophobicContact CD2-CG1 4.34Å; L78-L139 HydrophobicContact CD2-CD1 4.01Å; L78-L139 HydrophobicContact CD2-CD2 4.02Å; L78-L139 HydrophobicContact CG-CD1 4.31Å
79L98Very high96.9Very high1 Ų149.8 Ų49.81%0.00523%0.227CC..Hα-helixtrans-58.8-37.3172.7-73.3165.3000112I19 L22 L23 V26 A75 S76 K81 L82 R83 F140I19-L79 HydrophobicContact CB-CB 4.35Å; I19-L79 HydrophobicContact CG1-CB 4.01Å; I19-L79 HydrophobicContact CG2-CB 3.99Å; I19-L79 HydrophobicContact CG2-CD1 4.02Å; L22-L79 HydrophobicContact CB-CD1 4.14Å; L22-L79 HydrophobicContact CB-CD2 3.67Å; L22-L79 HydrophobicContact CD1-CD2 3.94Å; L22-L79 HydrophobicContact CG-CD2 4.47Å; L23-L79 HydrophobicContact CB-CD1 4.18Å; L23-L79 HydrophobicContact CD1-CD1 4.06Å; V26-L79 HydrophobicContact CG2-CD1 4.09Å; V26-L79 HydrophobicContact CG2-CD2 4.09Å; V26-L79 HydrophobicContact CG2-CG 4.27Å; A75-L79 WeakPolarHBondContact O-CB 3.38Å; A75-L79 WeakPolarHBondContact O-CG 3.27Å; A75-L79 PolarHBondContact O-N 3.08Å; S76-L79 PolarHBondContact O-N 3.37Å; L79-K81 VanDerWaalsContact C-N 3.33Å; L79-K81 PolarHBondContact O-N 2.85Å; L79-L82 HydrophobicContact CD2-CD1 4.21Å; L79-L82 PolarHBondContact O-N 2.87Å; L79-R83 WeakPolarHBondContact O-CB 3.47Å; L79-R83 PolarHBondContact O-N 2.88Å; L79-F140 HydrophobicContact CD2-CZ 4.18Å
80A96.7Very high97Very high5 Ų546.1 Ų46.14%0.04121%0.209CC..Hα-helixtrans-58.6-40.6171.300000112.8D13 I19 S76 L78 K84D13-A80 HydrophobicContact CB-CB 4.06Å; I19-A80 HydrophobicContact CD1-CB 3.79Å; S76-A80 PolarHBondContact O-N 3.45Å; L78-A80 VanDerWaalsContact C-N 3.27Å; L78-A80 PolarHBondContact O-N 3.4Å; A80-K84 WeakPolarHBondContact O-CG 3.42Å; A80-K84 PolarHBondContact O-N 3.25Å
81K95.7Very high97.1Very high65 Ų6544.8 Ų44.828%0.28320%0.199SC..Hα-helixtrans-67.5-48.5172.1-64.1-174.1177.8-166.10111.5L78 L79 R83 K84 D85 D121L78-K81 HydrophobicContact CD1-CD 4.47Å; L78-K81 WeakPolarHBondContact O-CA 3.47Å; L78-K81 WeakPolarHBondContact O-CB 3.32Å; L78-K81 PolarHBondContact O-N 2.85Å; L79-K81 VanDerWaalsContact C-N 3.33Å; L79-K81 PolarHBondContact O-N 2.85Å; K81-R83 PolarHBondContact O-N 2.98Å; K81-K84 CarbonylContact O-C 3.47Å; K81-K84 WeakPolarHBondContact O-CA 3.32Å; K81-K84 WeakPolarHBondContact O-CB 3.47Å; K81-K84 PolarHBondContact O-N 3.19Å; K81-D85 PolarHBondContact O-N 2.89Å; K81-D121 PolarHBondContact NZ-O 2.84Å
82L97.5Very high97.2Very high0 Ų049.3 Ų49.30%022%0.221CC..Hα-helixtrans-56.6-39.3179-64.2176.6000112L78 L79 K84 D85 I86 I120 L132 V135 M136 L139L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 3.32Å; L79-L82 HydrophobicContact CD2-CD1 4.21Å; L79-L82 PolarHBondContact O-N 2.87Å; L82-K84 VanDerWaalsContact C-N 3.32Å; L82-K84 PolarHBondContact O-N 3.07Å; L82-D85 PolarHBondContact O-N 2.91Å; L82-I86 WeakPolarHBondContact O-CB 3.26Å; L82-I86 VanDerWaalsContact O-CG1 3.31Å; L82-I86 WeakPolarHBondContact O-CG1 3.33Å; L82-I86 PolarHBondContact O-N 3.22Å; L82-I120 HydrophobicContact CD2-CD1 3.6Å; L82-L132 HydrophobicContact CD2-CD1 3.32Å; L82-V135 HydrophobicContact CD2-CG1 4.28Å; L82-M136 HydrophobicContact CB-CE 4.4Å; L82-M136 HydrophobicContact CD1-CE 4.37Å; L82-M136 HydrophobicContact CD1-SD 4.16Å; L82-M136 HydrophobicContact CD2-CE 3.84Å; L82-M136 HydrophobicContact CD2-SD 4.24Å; L82-M136 HydrophobicContact CG-CE 4.43Å; L82-L139 HydrophobicContact CD1-CD1 3.5Å
83R97.6Very high97.3Very high53 Ų5348.3 Ų48.320%0.222%0.217CC..Hα-helixtrans-57.8-43.6172.1-175.2-178.6164.7-109.4-0.5112H16 F18 L79 K81 R91H16-R83 VanDerWaalsContact CD2-CZ 3.47Å; H16-R83 PolarHBondContact CE1-NE 3.05Å; H16-R83 PolarHBondContact NE2-NE 2.99Å; H16-R83 VanDerWaalsContact NE2-NE 3.14Å; H16-R83 PolarHBondContact NE2-NH2 3.44Å; F18-R83 HydrophobicContact CD1-CB 3.68Å; F18-R83 HydrophobicContact CD1-CG 3.97Å; F18-R83 HydrophobicContact CE1-CB 3.56Å; F18-R83 HydrophobicContact CE1-CG 4.21Å; F18-R83 HydrophobicContact CG-CB 4.37Å; F18-R83 HydrophobicContact CG-CG 4.17Å; F18-R83 HydrophobicContact CZ-CB 4.16Å; L79-R83 WeakPolarHBondContact O-CB 3.47Å; L79-R83 PolarHBondContact O-N 2.88Å; K81-R83 PolarHBondContact O-N 2.98Å; R83-R91 VanDerWaalsContact O-CZ 3.22Å; R83-R91 PolarHBondContact O-NE 3.29Å; R83-R91 PolarHBondContact O-NH2 3.31Å
84K96.6Very high97.4Very high78 Ų7843.8 Ų43.834%0.33920%0.198SC..Hα-helixtrans-73.8-27.8-178.8-69.8171177.2177.10112D9 D13 A80 K81 L82 N110D9-K84 IonicContact OD1-NZ 3.49Å; D9-K84 IonicContact OD2-NZ 3.47Å; D9-K84 PolarHBondContact OD2-NZ 3.3Å; D13-K84 IonicContact OD1-NZ 3.78Å; D13-K84 PolarHBondContact OD1-NZ 3.15Å; D13-K84 IonicContact OD2-NZ 3.34Å; D13-K84 PolarHBondContact OD2-NZ 3.4Å; A80-K84 WeakPolarHBondContact O-CG 3.42Å; A80-K84 PolarHBondContact O-N 3.25Å; K81-K84 CarbonylContact O-C 3.47Å; K81-K84 WeakPolarHBondContact O-CA 3.32Å; K81-K84 WeakPolarHBondContact O-CB 3.47Å; K81-K84 PolarHBondContact O-N 3.19Å; L82-K84 VanDerWaalsContact C-N 3.32Å; L82-K84 PolarHBondContact O-N 3.07Å; K84-N110 PolarHBondContact O-ND2 3.18Å
85D97.6Very high97.5Very high22 Ų2243.9 Ų43.912%0.11820%0.201CC..Hα-helixtrans-91.5-13173.9-75.6-74.2000115.4K81 L82 S109 N110 R118 I120 L132K81-D85 PolarHBondContact O-N 2.89Å; L82-D85 PolarHBondContact O-N 2.91Å; D85-S109 CarbonylContact O-C 3.55Å; D85-S109 WeakPolarHBondContact O-CA 3.44Å; D85-N110 PolarHBondContact O-N 3.39Å; D85-R118 WeakPolarHBondContact OD1-CD 3.3Å; D85-R118 IonicContact OD1-NE 2.78Å; D85-R118 IonicContact OD1-NH1 3.53Å; D85-I120 HydrophobicContact CB-CG2 4.42Å; D85-I120 WeakPolarHBondContact OD2-CG2 3.15Å; D85-L132 HydrophobicContact CB-CD2 4.02Å
86I98.3Very high97.5Very high0 Ų047 Ų470%022%0.217CC..BIsolated β-bridgetrans-85136.2167.3-70.9162.1000110F18 L82 F90 R91 F94 V107 M136 V166F18-I86 HydrophobicContact CZ-CD1 3.97Å; L82-I86 WeakPolarHBondContact O-CB 3.26Å; L82-I86 VanDerWaalsContact O-CG1 3.31Å; L82-I86 WeakPolarHBondContact O-CG1 3.33Å; L82-I86 PolarHBondContact O-N 3.22Å; I86-F90 HydrophobicContact CG2-CB 4.26Å; I86-R91 HydrophobicContact CB-CG 4.42Å; I86-R91 HydrophobicContact CG2-CG 3.81Å; I86-R91 PolarHBondContact O-NE 3.05Å; I86-R91 PolarHBondContact O-NH2 3.27Å; I86-R91 VanDerWaalsContact O-NH2 3.08Å; I86-F94 HydrophobicContact CD1-CD1 3.67Å; I86-F94 HydrophobicContact CD1-CE1 3.82Å; I86-F94 HydrophobicContact CD1-CG 4.09Å; I86-F94 HydrophobicContact CD1-CZ 4.38Å; I86-V107 HydrophobicContact CD1-CG1 4.37Å; I86-V107 HydrophobicContact CG1-CG1 4.38Å; I86-V107 HydrophobicContact CG2-CG1 4.01Å; I86-M136 HydrophobicContact CD1-CE 3.7Å; I86-M136 HydrophobicContact CG1-CE 4.21Å; I86-V166 HydrophobicContact CG1-CG2 4.26Å
87R98.1Very high97.6Very high84 Ų8446.4 Ų46.432%0.31721%0.212SC..  trans-59.1132174.1-83.2173.662.91700.4110.3E89 F90 L108 N110R87-E89 VanDerWaalsContact C-N 3.31Å; R87-E89 IonicContact CZ-OE1 2.69Å; R87-E89 IonicContact NE-OE1 2.67Å; R87-E89 PolarHBondContact NE-OE1 3.06Å; R87-E89 IonicContact NH2-OE1 3.33Å; R87-E89 PolarHBondContact NH2-OE1 3.47Å; R87-E89 PolarHBondContact O-N 2.98Å; R87-E89 VanDerWaalsContact O-N 3.16Å; R87-F90 HydrophobicContact CB-CD2 3.76Å; R87-F90 HydrophobicContact CB-CE2 4.38Å; R87-F90 PolarHBondContact O-N 3.42Å; R87-L108 PolarHBondContact N-O 3.07Å; R87-L108 VanDerWaalsContact N-O 3.13Å; R87-N110 WeakPolarHBondContact CG-OD1 3.44Å
88P97.8Very high97.6Very high67 Ų6740.3 Ų40.344%0.43519%0.19SC..G310 helixtrans-44.8-50.8-172.4-29.834000115.1F90 R91P88-F90 PolarHBondContact O-N 2.94Å; P88-F90 VanDerWaalsContact O-N 3.1Å; P88-R91 WeakPolarHBondContact O-CB 2.95Å; P88-R91 WeakPolarHBondContact O-CG 3.21Å; P88-R91 PolarHBondContact O-N 3.17Å; P88-R91 VanDerWaalsContact O-N 3.07Å
89E97.8Very high97.6Very high103 Ų10341.5 Ų41.548%0.48120%0.198SC..G310 helixtrans-68.2-3.6-175.768.3-82.7-159.300115.3R87R87-E89 VanDerWaalsContact C-N 3.31Å; R87-E89 IonicContact CZ-OE1 2.69Å; R87-E89 IonicContact NE-OE1 2.67Å; R87-E89 PolarHBondContact NE-OE1 3.06Å; R87-E89 IonicContact NH2-OE1 3.33Å; R87-E89 PolarHBondContact NH2-OE1 3.47Å; R87-E89 PolarHBondContact O-N 2.98Å; R87-E89 VanDerWaalsContact O-N 3.16Å
90F98.3Very high97.5Very high42 Ų4244.6 Ų44.618%0.18423%0.23CC..G310 helixtrans-112.52.6173.5-63.8-84.6000113.2I86 R87 P88 F94 C106 V107 L108I86-F90 HydrophobicContact CG2-CB 4.26Å; R87-F90 HydrophobicContact CB-CD2 3.76Å; R87-F90 HydrophobicContact CB-CE2 4.38Å; R87-F90 PolarHBondContact O-N 3.42Å; P88-F90 PolarHBondContact O-N 2.94Å; P88-F90 VanDerWaalsContact O-N 3.1Å; F90-F94 WeakPolarHBondContact O-CB 3.27Å; F90-F94 PolarHBondContact O-N 2.77Å; F90-C106 WeakPolarHBondContact CD1-O 3.29Å; F90-C106 WeakPolarHBondContact CE1-O 3.43Å; F90-V107 HydrophobicContact CB-CB 4.43Å; F90-V107 HydrophobicContact CB-CG1 4.05Å; F90-L108 HydrophobicContact CD1-CG 4.47Å; F90-L108 HydrophobicContact CD2-CB 4Å; F90-L108 HydrophobicContact CD2-CG 4.33Å; F90-L108 HydrophobicContact CE1-CD1 4.36Å; F90-L108 HydrophobicContact CE1-CG 4.02Å; F90-L108 HydrophobicContact CE2-CB 3.89Å; F90-L108 HydrophobicContact CE2-CD1 3.85Å; F90-L108 HydrophobicContact CE2-CG 3.87Å; F90-L108 HydrophobicContact CG-CB 4.44Å; F90-L108 HydrophobicContact CZ-CB 4.25Å; F90-L108 HydrophobicContact CZ-CD1 3.62Å; F90-L108 HydrophobicContact CZ-CG 3.69Å
91R98.1Very high97.5Very high47 Ų4752 Ų5218%0.17726%0.262CS..Hα-helixtrans-72.1-43.5-175.5-70.1175.5-179.8145.45.9112.1F18 R83 I86 P88 F94 V95F18-R91 HydrophobicContact CD2-CB 3.93Å; F18-R91 HydrophobicContact CD2-CG 4.41Å; F18-R91 HydrophobicContact CE2-CB 3.91Å; F18-R91 HydrophobicContact CE2-CG 4.12Å; R83-R91 VanDerWaalsContact O-CZ 3.22Å; R83-R91 PolarHBondContact O-NE 3.29Å; R83-R91 PolarHBondContact O-NH2 3.31Å; I86-R91 HydrophobicContact CB-CG 4.42Å; I86-R91 HydrophobicContact CG2-CG 3.81Å; I86-R91 PolarHBondContact O-NE 3.05Å; I86-R91 PolarHBondContact O-NH2 3.27Å; I86-R91 VanDerWaalsContact O-NH2 3.08Å; P88-R91 WeakPolarHBondContact O-CB 2.95Å; P88-R91 WeakPolarHBondContact O-CG 3.21Å; P88-R91 PolarHBondContact O-N 3.17Å; P88-R91 VanDerWaalsContact O-N 3.07Å; R91-F94 WeakPolarHBondContact O-CB 3.2Å; R91-F94 PolarHBondContact O-N 2.83Å; R91-V95 WeakPolarHBondContact O-CG2 3.49Å; R91-V95 PolarHBondContact O-N 3.48Å
92E97.6Very high97.5Very high122 Ų12252.4 Ų52.457%0.5726%0.263SS*.Hα-helixtrans-66.8-44.1178.5-66.761.7-135.500109.6F94 V95 L96E92-F94 VanDerWaalsContact C-N 3.32Å; E92-F94 PolarHBondContact O-N 3.27Å; E92-V95 PolarHBondContact O-N 3.49Å; E92-L96 WeakPolarHBondContact O-CB 3.33Å; E92-L96 VanDerWaalsContact O-CG 3.29Å; E92-L96 WeakPolarHBondContact O-CG 3.5Å; E92-L96 PolarHBondContact O-N 3.12Å
93D97.8Very high97.5Very high38 Ų3857.3 Ų57.320%0.20330%0.295CS..Hα-helixtrans-60.4-38173.4-100.928.2000112.7T97 K102 C105D93-T97 WeakPolarHBondContact O-CB 3.2Å; D93-T97 VanDerWaalsContact O-CG2 3.31Å; D93-T97 WeakPolarHBondContact O-CG2 3.47Å; D93-T97 PolarHBondContact O-N 2.82Å; D93-T97 PolarHBondContact O-OG1 3.25Å; D93-K102 IonicContact OD1-NZ 2.76Å; D93-K102 PolarHBondContact OD1-NZ 3.14Å; D93-K102 IonicContact OD2-NZ 2.65Å; D93-K102 PolarHBondContact OD2-NZ 3.27Å; D93-C105 PolarHBondContact OD2-SG 3.33Å
94F98.4Very high97.3Very high0 Ų058 Ų580%031%0.306CS..Hα-helixtrans-64.9-46.8173.1-173.9-120.9000112.1F18 L22 I86 F90 R91 E92 L96 T97 I98 V107 M136 F140 P168F18-F94 AromaticContact CE2-CD1 3.77Å; F18-F94 HydrophobicContact CE2-CD1 3.77Å; F18-F94 AromaticContact CZ-CD1 3.66Å; F18-F94 HydrophobicContact CZ-CD1 3.66Å; F18-F94 HydrophobicContact CZ-CE1 4.03Å; L22-F94 HydrophobicContact CD1-CD1 3.73Å; L22-F94 HydrophobicContact CD1-CE1 3.6Å; L22-F94 HydrophobicContact CD2-CD1 4.45Å; L22-F94 HydrophobicContact CD2-CE1 4.32Å; I86-F94 HydrophobicContact CD1-CD1 3.67Å; I86-F94 HydrophobicContact CD1-CE1 3.82Å; I86-F94 HydrophobicContact CD1-CG 4.09Å; I86-F94 HydrophobicContact CD1-CZ 4.38Å; F90-F94 WeakPolarHBondContact O-CB 3.27Å; F90-F94 PolarHBondContact O-N 2.77Å; R91-F94 WeakPolarHBondContact O-CB 3.2Å; R91-F94 PolarHBondContact O-N 2.83Å; E92-F94 VanDerWaalsContact C-N 3.32Å; E92-F94 PolarHBondContact O-N 3.27Å; F94-L96 PolarHBondContact O-N 2.96Å; F94-T97 PolarHBondContact O-N 2.86Å; F94-T97 PolarHBondContact O-OG1 3.27Å; F94-I98 HydrophobicContact CD2-CD1 4.47Å; F94-I98 HydrophobicContact CD2-CG1 3.92Å; F94-I98 HydrophobicContact CE1-CG1 4.47Å; F94-I98 HydrophobicContact CE2-CD1 3.9Å; F94-I98 HydrophobicContact CE2-CG1 3.68Å; F94-I98 HydrophobicContact CG-CG1 4.42Å; F94-I98 HydrophobicContact CZ-CD1 4.33Å; F94-I98 HydrophobicContact CZ-CG1 3.98Å; F94-I98 WeakPolarHBondContact O-CB 3.49Å; F94-I98 VanDerWaalsContact O-CG1 3.24Å; F94-I98 WeakPolarHBondContact O-CG1 3.49Å; F94-I98 PolarHBondContact O-N 2.9Å; F94-V107 HydrophobicContact CB-CB 4.41Å; F94-V107 HydrophobicContact CB-CG1 3.83Å; F94-V107 HydrophobicContact CB-CG2 3.74Å; F94-V107 HydrophobicContact CD2-CB 4.27Å; F94-V107 HydrophobicContact CD2-CG1 3.92Å; F94-V107 HydrophobicContact CD2-CG2 4.03Å; F94-V107 HydrophobicContact CG-CG1 4.07Å; F94-V107 HydrophobicContact CG-CG2 4.36Å; F94-M136 HydrophobicContact CE1-CE 4.39Å; F94-M136 HydrophobicContact CE2-CE 4.43Å; F94-M136 HydrophobicContact CE2-SD 4.29Å; F94-M136 HydrophobicContact CZ-CE 3.92Å; F94-M136 HydrophobicContact CZ-SD 3.69Å; F94-F140 HydrophobicContact CE1-CE2 4.36Å; F94-F140 HydrophobicContact CE1-CZ 4.31Å; F94-F140 HydrophobicContact CZ-CD2 4.36Å; F94-F140 AromaticContact CZ-CE2 3.69Å; F94-F140 HydrophobicContact CZ-CE2 3.69Å; F94-F140 HydrophobicContact CZ-CZ 4.02Å; F94-P168 HydrophobicContact CE2-CG 4.46Å
95V98.2Very high97.3Very high26 Ų2655.5 Ų55.516%0.15830%0.298CS..Hα-helixtrans-60.1-48175.8173.20000110.8F18 A21 L22 R91 E92 T97 I98 T99F18-V95 HydrophobicContact CB-CG2 4.45Å; F18-V95 HydrophobicContact CD2-CG2 3.56Å; F18-V95 HydrophobicContact CE2-CG2 4.11Å; F18-V95 HydrophobicContact CG-CG2 4.18Å; A21-V95 HydrophobicContact CB-CG1 3.6Å; L22-V95 HydrophobicContact CD1-CG2 4.2Å; L22-V95 HydrophobicContact CD2-CG2 4.49Å; L22-V95 HydrophobicContact CG-CG2 4.14Å; R91-V95 WeakPolarHBondContact O-CG2 3.49Å; R91-V95 PolarHBondContact O-N 3.48Å; E92-V95 PolarHBondContact O-N 3.49Å; V95-T97 PolarHBondContact O-N 2.86Å; V95-I98 PolarHBondContact O-N 3.44Å; V95-T99 HydrophobicContact CG1-CG2 4.3Å; V95-T99 WeakPolarHBondContact O-CB 3.39Å; V95-T99 VanDerWaalsContact O-CG2 3.26Å; V95-T99 WeakPolarHBondContact O-CG2 3.43Å; V95-T99 PolarHBondContact O-N 2.78Å; V95-T99 PolarHBondContact O-OG1 3.43Å
96L97.9Very high97.3Very high66 Ų6655.4 Ų55.435%0.34630%0.299SS..Hα-helixtrans-65.2-37.3-178.5-67.8171.5000112.7E92 F94 T99 G100 K101 K102E92-L96 WeakPolarHBondContact O-CB 3.33Å; E92-L96 VanDerWaalsContact O-CG 3.29Å; E92-L96 WeakPolarHBondContact O-CG 3.5Å; E92-L96 PolarHBondContact O-N 3.12Å; F94-L96 PolarHBondContact O-N 2.96Å; L96-T99 PolarHBondContact O-OG1 2.92Å; L96-G100 PolarHBondContact O-N 2.68Å; L96-K101 HydrophobicContact CB-CB 4.44Å; L96-K101 HydrophobicContact CD2-CB 3.81Å; L96-K101 HydrophobicContact CD2-CD 4.2Å; L96-K101 WeakPolarHBondContact O-CA 3.41Å; L96-K101 PolarHBondContact O-N 2.92Å; L96-K102 HydrophobicContact CB-CB 3.69Å; L96-K102 PolarHBondContact O-N 2.96Å; L96-K102 VanDerWaalsContact O-N 3.1Å
97T97.6Very high97.3Very high4 Ų455.4 Ų55.43%0.02530%0.299CS..Hα-helixtrans-77.1-33.4178.550.40000113.7D93 F94 V95 K102 P103 Q167 H169D93-T97 WeakPolarHBondContact O-CB 3.2Å; D93-T97 VanDerWaalsContact O-CG2 3.31Å; D93-T97 WeakPolarHBondContact O-CG2 3.47Å; D93-T97 PolarHBondContact O-N 2.82Å; D93-T97 PolarHBondContact O-OG1 3.25Å; F94-T97 PolarHBondContact O-N 2.86Å; F94-T97 PolarHBondContact O-OG1 3.27Å; V95-T97 PolarHBondContact O-N 2.86Å; T97-K102 HydrophobicContact CG2-CB 4.12Å; T97-K102 HydrophobicContact CG2-CD 4.48Å; T97-K102 HydrophobicContact CG2-CG 4.38Å; T97-P103 WeakPolarHBondContact CG2-O 3.48Å; T97-Q167 PolarHBondContact OG1-NE2 3.13Å; T97-H169 PolarHBondContact O-CE1 2.69Å
98I97.7Very high97.3Very high18 Ų1852.1 Ų52.19%0.09229%0.288CS..Hα-helixtrans-73.6-34.3173.8-63.9-64.4000111.8L22 H25 F94 V95 G100 F140 P168L22-I98 HydrophobicContact CD2-CB 3.61Å; L22-I98 HydrophobicContact CD2-CG1 4.01Å; L22-I98 HydrophobicContact CD2-CG2 3.53Å; H25-I98 HydrophobicContact CB-CG2 3.47Å; H25-I98 VanDerWaalsContact CB-CG2 3.47Å; H25-I98 PolarHBondContact ND1-O 3.2Å; F94-I98 HydrophobicContact CD2-CD1 4.47Å; F94-I98 HydrophobicContact CD2-CG1 3.92Å; F94-I98 HydrophobicContact CE1-CG1 4.47Å; F94-I98 HydrophobicContact CE2-CD1 3.9Å; F94-I98 HydrophobicContact CE2-CG1 3.68Å; F94-I98 HydrophobicContact CG-CG1 4.42Å; F94-I98 HydrophobicContact CZ-CD1 4.33Å; F94-I98 HydrophobicContact CZ-CG1 3.98Å; F94-I98 WeakPolarHBondContact O-CB 3.49Å; F94-I98 VanDerWaalsContact O-CG1 3.24Å; F94-I98 WeakPolarHBondContact O-CG1 3.49Å; F94-I98 PolarHBondContact O-N 2.9Å; V95-I98 PolarHBondContact O-N 3.44Å; I98-G100 PolarHBondContact O-N 2.9Å; I98-F140 HydrophobicContact CD1-CB 4.45Å; I98-F140 HydrophobicContact CD1-CD1 4.18Å; I98-F140 HydrophobicContact CD1-CD2 4.47Å; I98-F140 HydrophobicContact CD1-CG 4.1Å; I98-F140 HydrophobicContact CG2-CD1 3.78Å; I98-F140 HydrophobicContact CG2-CE1 3.8Å; I98-P168 HydrophobicContact CD1-CB 4.5Å; I98-P168 HydrophobicContact CD1-CG 3.77Å
99T96.4Very high97.3Very high30 Ų3048.9 Ų48.918%0.18427%0.267CS..THydrogen-bonded Turntrans-81.12.7175.458.70000113.9A21 V95 L96 K101A21-T99 WeakPolarHBondContact O-CG2 3.06Å; V95-T99 HydrophobicContact CG1-CG2 4.3Å; V95-T99 WeakPolarHBondContact O-CB 3.39Å; V95-T99 VanDerWaalsContact O-CG2 3.26Å; V95-T99 WeakPolarHBondContact O-CG2 3.43Å; V95-T99 PolarHBondContact O-N 2.78Å; V95-T99 PolarHBondContact O-OG1 3.43Å; L96-T99 PolarHBondContact O-OG1 2.92Å; T99-K101 PolarHBondContact O-N 3.34Å
100G95.5Very high97.3Very high66 Ų6646.2 Ų46.268%0.6826%0.256SS*.THydrogen-bonded Turntrans73.35.1179.300000115.5L96 I98L96-G100 PolarHBondContact O-N 2.68Å; I98-G100 PolarHBondContact O-N 2.9Å
101K96.7Very high97.3Very high162 Ų16246.8 Ų46.870%0.70426%0.264SS*.SBendtrans-82.3-8.9-177.2-62179.9-177.9-179.70114.1L96 T99L96-K101 HydrophobicContact CB-CB 4.44Å; L96-K101 HydrophobicContact CD2-CB 3.81Å; L96-K101 HydrophobicContact CD2-CD 4.2Å; L96-K101 WeakPolarHBondContact O-CA 3.41Å; L96-K101 PolarHBondContact O-N 2.92Å; T99-K101 PolarHBondContact O-N 3.34Å
102K96.4Very high97.2Very high73 Ų7347.1 Ų47.132%0.31727%0.269SS..SBendtrans-142.3140.8175.4-171.5-178-169.6178.70109.6D93 L96 T97D93-K102 IonicContact OD1-NZ 2.76Å; D93-K102 PolarHBondContact OD1-NZ 3.14Å; D93-K102 IonicContact OD2-NZ 2.65Å; D93-K102 PolarHBondContact OD2-NZ 3.27Å; L96-K102 HydrophobicContact CB-CB 3.69Å; L96-K102 PolarHBondContact O-N 2.96Å; L96-K102 VanDerWaalsContact O-N 3.1Å; T97-K102 HydrophobicContact CG2-CB 4.12Å; T97-K102 HydrophobicContact CG2-CD 4.48Å; T97-K102 HydrophobicContact CG2-CG 4.38Å
103P96.3Very high97.1Very high102 Ų10250.9 Ų50.966%0.66229%0.287SS*.  trans-59.9148.5171.725.4-35.4000111.4T97 C105T97-P103 WeakPolarHBondContact CG2-O 3.48Å; P103-C105 PolarHBondContact O-N 3.44Å
104P94.9Very high97.1Very high67 Ų6757.2 Ų57.244%0.43531%0.313SS..  trans-49.9129.7-177.2-31.937.6000114.8H169P104-H169 HydrophobicContact CB-CB 3.75Å; P104-H169 HydrophobicContact CG-CB 3.75Å
105C96.2Very high97Very high26 Ų2659.5 Ų59.518%0.17634%0.336CS..  trans-134.5162.4177660000111D93 P103 V107 Q167D93-C105 PolarHBondContact OD2-SG 3.33Å; P103-C105 PolarHBondContact O-N 3.44Å; C105-V107 PolarHBondContact O-N 2.85Å; C105-Q167 VanDerWaalsContact O-CG 3.31Å; C105-Q167 WeakPolarHBondContact O-CG 3.48Å; C105-Q167 PolarHBondContact O-NE2 3.17Å
106C98Very high96.8Very high20 Ų2064.9 Ų64.914%0.13536%0.357CS..  trans-72.5101.3-178.8-75.10000112F90 L108 C159 H170F90-C106 WeakPolarHBondContact CD1-O 3.29Å; F90-C106 WeakPolarHBondContact CE1-O 3.43Å; C106-L108 HydrophobicContact CB-CD2 4.27Å; C106-C159 VanDerWaalsContact SG-SG 3.69Å; C106-H170 PolarHBondContact N-CE1 3.38Å; C106-H170 PolarHBondContact SG-CE1 3.5Å; C106-H170 PolarHBondContact SG-ND1 2.67Å; C106-H170 VanDerWaalsContact SG-ND1 3.36Å
107V98.3Very high96.8Very high0 Ų062.4 Ų62.40%034%0.344CS..  trans-84.8123.5167.9171.90000109.2I86 F90 F94 C105 C165 V166 Q167I86-V107 HydrophobicContact CD1-CG1 4.37Å; I86-V107 HydrophobicContact CG1-CG1 4.38Å; I86-V107 HydrophobicContact CG2-CG1 4.01Å; F90-V107 HydrophobicContact CB-CB 4.43Å; F90-V107 HydrophobicContact CB-CG1 4.05Å; F94-V107 HydrophobicContact CB-CB 4.41Å; F94-V107 HydrophobicContact CB-CG1 3.83Å; F94-V107 HydrophobicContact CB-CG2 3.74Å; F94-V107 HydrophobicContact CD2-CB 4.27Å; F94-V107 HydrophobicContact CD2-CG1 3.92Å; F94-V107 HydrophobicContact CD2-CG2 4.03Å; F94-V107 HydrophobicContact CG-CG1 4.07Å; F94-V107 HydrophobicContact CG-CG2 4.36Å; C105-V107 PolarHBondContact O-N 2.85Å; V107-C165 CarbonylContact O-C 3.55Å; V107-C165 VanDerWaalsContact O-CA 3.29Å; V107-C165 WeakPolarHBondContact O-CA 3.36Å; V107-C165 PolarHBondContact O-SG 3.18Å; V107-V166 HydrophobicContact CG1-CG2 4.08Å; V107-V166 PolarHBondContact O-N 2.82Å; V107-Q167 HydrophobicContact CB-CB 4.24Å
108L98.4Very high96.8Very high15 Ų1566.9 Ų66.98%0.07936%0.36CS..BIsolated β-bridgetrans-104.7135.8-174.9-53.9-172.6000112.7R87 F90 C106 N161 L164 C165R87-L108 PolarHBondContact N-O 3.07Å; R87-L108 VanDerWaalsContact N-O 3.13Å; F90-L108 HydrophobicContact CD1-CG 4.47Å; F90-L108 HydrophobicContact CD2-CB 4Å; F90-L108 HydrophobicContact CD2-CG 4.33Å; F90-L108 HydrophobicContact CE1-CD1 4.36Å; F90-L108 HydrophobicContact CE1-CG 4.02Å; F90-L108 HydrophobicContact CE2-CB 3.89Å; F90-L108 HydrophobicContact CE2-CD1 3.85Å; F90-L108 HydrophobicContact CE2-CG 3.87Å; F90-L108 HydrophobicContact CG-CB 4.44Å; F90-L108 HydrophobicContact CZ-CB 4.25Å; F90-L108 HydrophobicContact CZ-CD1 3.62Å; F90-L108 HydrophobicContact CZ-CG 3.69Å; C106-L108 HydrophobicContact CB-CD2 4.27Å; L108-N161 HydrophobicContact CD2-CB 3.67Å; L108-L164 WeakPolarHBondContact CA-O 3.32Å; L108-C165 HydrophobicContact CD2-CB 3.98Å
109S98Very high96.7Very high0 Ų074.6 Ų74.60%039%0.388CS..BIsolated β-bridgetrans-81.4156169.961.40000112.6D85 L132 L164D85-S109 CarbonylContact O-C 3.55Å; D85-S109 WeakPolarHBondContact O-CA 3.44Å; S109-L132 VanDerWaalsContact CB-CD2 3.47Å; S109-L164 PolarHBondContact N-O 3.23Å; S109-L164 PolarHBondContact OG-O 3.13Å
110N97.8Very high96.6Very high46 Ų4673.6 Ų73.625%0.24638%0.382CS..PPolyproline II helixtrans-59.2133.6161.4-67.4-38.2000109.4K84 D85 R87 R118K84-N110 PolarHBondContact O-ND2 3.18Å; D85-N110 PolarHBondContact O-N 3.39Å; R87-N110 WeakPolarHBondContact CG-OD1 3.44Å; N110-R118 VanDerWaalsContact O-CD 3.27Å; N110-R118 WeakPolarHBondContact O-CD 3.21Å; N110-R118 VanDerWaalsContact O-CG 3.28Å; N110-R118 WeakPolarHBondContact O-CG 3.39Å
111P97.3Very high96.6Very high54 Ų5473.5 Ų73.535%0.35137%0.366SS..BIsolated β-bridgetrans-71.9155.5179.528.6-34.6000112.6K116 R118 L164P111-K116 WeakPolarHBondContact CA-O 3.49Å; P111-R118 PolarHBondContact O-NE 3.38Å; P111-R118 PolarHBondContact O-NH2 2.96Å; P111-L164 HydrophobicContact CB-CD1 4.28Å; P111-L164 HydrophobicContact CB-CD2 3.95Å
112D96.6Very high96.6Very high55 Ų5566.1 Ų66.129%0.29434%0.335SS..  trans-72.5179.516280.7-10.5000111.3K114 G115 K116 R118D112-K114 PolarHBondContact O-N 3.41Å; D112-K114 VanDerWaalsContact OD1-C 3.25Å; D112-K114 VanDerWaalsContact OD1-CA 3.29Å; D112-K114 WeakPolarHBondContact OD1-CA 3.27Å; D112-K114 WeakPolarHBondContact OD1-CB 3.13Å; D112-K114 PolarHBondContact OD1-N 3.37Å; D112-G115 PolarHBondContact O-N 2.84Å; D112-G115 VanDerWaalsContact O-N 3.11Å; D112-G115 PolarHBondContact OD1-N 2.59Å; D112-G115 VanDerWaalsContact OD1-N 3.09Å; D112-K116 PolarHBondContact N-O 3.29Å; D112-K116 PolarHBondContact OD1-N 2.97Å; D112-R118 HydrophobicContact CB-CG 4.02Å
113Q95.8Very high96.5Very high200 Ų20064 Ų6494%0.93533%0.327SS*.THydrogen-bonded Turntrans-61.3-6.5177.5-67.4172.7-18.600114.1
114K96.1Very high96.1Very high172 Ų17269.2 Ų69.275%0.74833%0.333SS*.THydrogen-bonded Turntrans-118.113-178.8-57.9-173.7178.1-173.20112.3D112 K116D112-K114 PolarHBondContact O-N 3.41Å; D112-K114 VanDerWaalsContact OD1-C 3.25Å; D112-K114 VanDerWaalsContact OD1-CA 3.29Å; D112-K114 WeakPolarHBondContact OD1-CA 3.27Å; D112-K114 WeakPolarHBondContact OD1-CB 3.13Å; D112-K114 PolarHBondContact OD1-N 3.37Å; K114-K116 VanDerWaalsContact C-N 3.34Å; K114-K116 PolarHBondContact O-N 3.06Å
115G96.1Very high95.4Very high47 Ų4774.3 Ų74.349%0.48535%0.351SS..SBendtrans77.212.1178.900000115.1D112D112-G115 PolarHBondContact O-N 2.84Å; D112-G115 VanDerWaalsContact O-N 3.11Å; D112-G115 PolarHBondContact OD1-N 2.59Å; D112-G115 VanDerWaalsContact OD1-N 3.09Å
116K95.7Very high94.8Very high140 Ų14074.1 Ų74.161%0.60935%0.351SS*.SBendtrans-109.7168.7-172-58.1-169.8-179-170.20112.5P111 D112 K114 R118P111-K116 WeakPolarHBondContact CA-O 3.49Å; D112-K116 PolarHBondContact N-O 3.29Å; D112-K116 PolarHBondContact OD1-N 2.97Å; K114-K116 VanDerWaalsContact C-N 3.34Å; K114-K116 PolarHBondContact O-N 3.06Å; K116-R118 PolarHBondContact O-N 3.35Å
117I96.9Very high93.7Very high13 Ų1378.3 Ų78.37%0.06737%0.372CS..BIsolated β-bridgetrans-53.7122.8173.5-58-174.7000110.2R131 L132 D133 G163 V166I117-R131 HydrophobicContact CB-CG 4.48Å; I117-R131 HydrophobicContact CG2-CG 4.08Å; I117-L132 HydrophobicContact CG2-CB 3.68Å; I117-D133 HydrophobicContact CD1-CB 4.3Å; I117-D133 WeakPolarHBondContact CD1-OD2 3.23Å; I117-G163 WeakPolarHBondContact CG1-O 3.27Å; I117-V166 HydrophobicContact CG2-CG1 4.27Å
118R96.9Very high93.3Very high98 Ų9880.7 Ų80.737%0.3738%0.383SS..  trans-60.4163.9179.9-81.7-177.7168.2-126.1-9.8113.8D85 N110 P111 D112 K116 L132D85-R118 WeakPolarHBondContact OD1-CD 3.3Å; D85-R118 IonicContact OD1-NE 2.78Å; D85-R118 IonicContact OD1-NH1 3.53Å; N110-R118 VanDerWaalsContact O-CD 3.27Å; N110-R118 WeakPolarHBondContact O-CD 3.21Å; N110-R118 VanDerWaalsContact O-CG 3.28Å; N110-R118 WeakPolarHBondContact O-CG 3.39Å; P111-R118 PolarHBondContact O-NE 3.38Å; P111-R118 PolarHBondContact O-NH2 2.96Å; D112-R118 HydrophobicContact CB-CG 4.02Å; K116-R118 PolarHBondContact O-N 3.35Å; R118-L132 WeakPolarHBondContact O-CB 3.25Å; R118-L132 PolarHBondContact O-N 3.14Å
119R96Very high93.1Very high180 Ų18083 Ų8368%0.67940%0.397SS*.EExtended strand (participates in β ladder)trans-115.9135.1168.5-55.1-175.7177.8-164.6-3.4109.3V129 W130R119-V129 HydrophobicContact CB-CB 4.13Å; R119-V129 HydrophobicContact CB-CG1 3.49Å; R119-V129 VanDerWaalsContact CB-CG1 3.49Å; R119-W130 CarbonylContact C-O 3.54Å; R119-W130 WeakPolarHBondContact CA-O 3.43Å
120I95.4Very high93.1Very high9 Ų983.7 Ų83.75%0.04640%0.4CS..EExtended strand (participates in β ladder)trans-128.8155.8-178.263161.6000112.1L78 L82 D85 V129 W130 L132 V135L78-I120 HydrophobicContact CD1-CD1 4.02Å; L82-I120 HydrophobicContact CD2-CD1 3.6Å; D85-I120 HydrophobicContact CB-CG2 4.42Å; D85-I120 WeakPolarHBondContact OD2-CG2 3.15Å; I120-V129 VanDerWaalsContact C-CG1 3.47Å; I120-V129 WeakPolarHBondContact O-CG1 3.18Å; I120-W130 PolarHBondContact N-O 3.49Å; I120-W130 PolarHBondContact O-N 3.26Å; I120-L132 HydrophobicContact CD1-CD1 3.68Å; I120-L132 HydrophobicContact CG1-CD1 4.13Å; I120-V135 HydrophobicContact CD1-CG1 4.33Å; I120-V135 HydrophobicContact CD1-CG2 4.48Å; I120-V135 HydrophobicContact CG1-CG2 4.28Å
121D95.2Very high93Very high65 Ų6585 Ų8535%0.34840%0.401SS..  trans-89.7113.2175.7-56.6-54.6000111.7K81 L123 V129K81-D121 PolarHBondContact NZ-O 2.84Å; D121-L123 PolarHBondContact O-N 3.24Å; D121-V129 WeakPolarHBondContact OD1-CA 3.45Å
122C96.8Very high93.1Very high7 Ų782.4 Ų82.45%0.04739%0.385CS..SBendtrans-72.7-16.3177.4-58.30000113.6F34 W74 L78 V135F34-C122 HydrophobicContact CD1-CB 3.8Å; F34-C122 HydrophobicContact CD2-CB 4.27Å; F34-C122 HydrophobicContact CE1-CB 3.95Å; F34-C122 VanDerWaalsContact CE1-SG 3.55Å; F34-C122 HydrophobicContact CE2-CB 4.4Å; F34-C122 HydrophobicContact CG-CB 3.98Å; F34-C122 HydrophobicContact CZ-CB 4.25Å; W74-C122 PolarHBondContact NE1-O 3.48Å; L78-C122 HydrophobicContact CD2-CB 4.26Å; C122-V135 WeakPolarHBondContact SG-CG2 3.49Å
123L94.8Very high93.1Very high28 Ų2879.8 Ų79.815%0.14737%0.371CS..SBendtrans-137.6146.1-179.9-68169.7000109.7F34 N35 A38 D121 A126F34-L123 HydrophobicContact CB-CD1 4.21Å; F34-L123 HydrophobicContact CB-CG 4.49Å; F34-L123 WeakPolarHBondContact O-CD1 3.29Å; N35-L123 WeakPolarHBondContact OD1-CD2 3.34Å; A38-L123 HydrophobicContact CB-CD1 3.64Å; D121-L123 PolarHBondContact O-N 3.24Å; L123-A126 HydrophobicContact CB-CB 3.9Å
124R86.7Confident93.2Very high212 Ų21270.4 Ų70.480%0.833%0.327SS*.THydrogen-bonded Turntrans-78.3149.8168.1-54.8-173.492.2123.6-0.3108.3A126R124-A126 VanDerWaalsContact C-N 3.3Å; R124-A126 PolarHBondContact O-N 2.89Å
125Q80.2Confident93.3Very high173 Ų17362.2 Ų62.281%0.80829%0.291SS*.THydrogen-bonded Turntrans56.340.5-178.6-54.1171.6-17.100113.8K42K42-Q125 VanDerWaalsContact CE-O 3.31Å; K42-Q125 WeakPolarHBondContact CE-O 3.5Å; K42-Q125 PolarHBondContact NZ-O 2.87Å
126A83.3Confident93.4Very high22 Ų2260 Ų6018%0.18227%0.268CS..  trans-126.2124.3172.100000109.7L123 R124 K128L123-A126 HydrophobicContact CB-CB 3.9Å; R124-A126 VanDerWaalsContact C-N 3.3Å; R124-A126 PolarHBondContact O-N 2.89Å; A126-K128 PolarHBondContact O-N 2.72Å
127D75.9Confident93.5Very high108 Ų10853.3 Ų53.358%0.57824%0.239SC*.SBendtrans-73.944.8-179.1-51.3-6.8000111.7R41 K45R41-D127 PolarHBondContact NH2-O 2.74Å; K45-D127 IonicContact NZ-OD2 3.69Å; K45-D127 PolarHBondContact NZ-OD2 3.18Å
128K90.5Very high93.6Very high51 Ų5152.7 Ų52.722%0.22224%0.236CC..  trans-158105.5-174.6-17159.4-174.2-162.40114.7A126 W130 S147A126-K128 PolarHBondContact O-N 2.72Å; K128-W130 VanDerWaalsContact O-CD1 3.26Å; K128-S147 WeakPolarHBondContact CE-OG 3.49Å; K128-S147 PolarHBondContact NZ-OG 2.85Å
129V93.8Very high93.6Very high63 Ų6348 Ų4838%0.38222%0.218SC..  trans-78.3142.9167.8-146.50000111R119 I120 D121R119-V129 HydrophobicContact CB-CB 4.13Å; R119-V129 HydrophobicContact CB-CG1 3.49Å; R119-V129 VanDerWaalsContact CB-CG1 3.49Å; I120-V129 VanDerWaalsContact C-CG1 3.47Å; I120-V129 WeakPolarHBondContact O-CG1 3.18Å; D121-V129 WeakPolarHBondContact OD1-CA 3.45Å
130W96.9Very high93.7Very high15 Ų1540.1 Ų40.16%0.05719%0.189CC..EExtended strand (participates in β ladder)trans-118.6141.5-178.9-68.274.4000111.6F34 Q37 R119 I120 K128 V135 I138 S147F34-W130 HydrophobicContact CD1-CD2 4.14Å; F34-W130 AromaticContact CD1-CE2 3.73Å; F34-W130 HydrophobicContact CD1-CH2 4.16Å; F34-W130 AromaticContact CD1-CZ2 3.76Å; F34-W130 HydrophobicContact CD1-CZ2 3.76Å; F34-W130 AromaticContact CE1-CD2 3.68Å; F34-W130 HydrophobicContact CE1-CD2 3.68Å; F34-W130 AromaticContact CE1-CE2 3.78Å; F34-W130 AromaticContact CE1-CE3 3.82Å; F34-W130 HydrophobicContact CE1-CE3 3.82Å; F34-W130 HydrophobicContact CE1-CG 4.18Å; F34-W130 HydrophobicContact CE1-CH2 4.15Å; F34-W130 HydrophobicContact CE1-CZ2 4.04Å; F34-W130 HydrophobicContact CE1-CZ3 4.04Å; Q37-W130 HydrophobicContact CB-CZ2 4.28Å; Q37-W130 HydrophobicContact CG-CH2 4.47Å; R119-W130 CarbonylContact C-O 3.54Å; R119-W130 WeakPolarHBondContact CA-O 3.43Å; I120-W130 PolarHBondContact N-O 3.49Å; I120-W130 PolarHBondContact O-N 3.26Å; K128-W130 VanDerWaalsContact O-CD1 3.26Å; W130-V135 HydrophobicContact CB-CG2 3.57Å; W130-V135 HydrophobicContact CG-CG2 4.48Å; W130-I138 HydrophobicContact CE3-CD1 4.11Å; W130-I138 HydrophobicContact CZ3-CD1 3.77Å; W130-S147 VanDerWaalsContact CZ3-CA 3.43Å; W130-S147 VanDerWaalsContact CZ3-N 3.32Å
131R97.2Very high93.7Very high73 Ų7343.7 Ų43.728%0.27520%0.204SC..EExtended strand (participates in β ladder)trans-67.9133.6175.9-170-177.8140.1-178.6-9.9109.9I117 D133 L134 V135 G150I117-R131 HydrophobicContact CB-CG 4.48Å; I117-R131 HydrophobicContact CG2-CG 4.08Å; R131-D133 VanDerWaalsContact C-N 3.33Å; R131-D133 WeakPolarHBondContact CD-OD1 2.95Å; R131-D133 VanDerWaalsContact CG-OD1 3.29Å; R131-D133 WeakPolarHBondContact CG-OD1 3.4Å; R131-D133 IonicContact CZ-OD1 3.78Å; R131-D133 IonicContact CZ-OD2 3.75Å; R131-D133 IonicContact NE-OD1 3.19Å; R131-D133 PolarHBondContact NE-OD1 3.42Å; R131-D133 IonicContact NE-OD2 3.83Å; R131-D133 IonicContact NH2-OD1 2.73Å; R131-D133 PolarHBondContact NH2-OD1 3.49Å; R131-D133 IonicContact NH2-OD2 2.71Å; R131-D133 PolarHBondContact NH2-OD2 2.94Å; R131-D133 PolarHBondContact O-N 3.1Å; R131-L134 HydrophobicContact CB-CD1 4.14Å; R131-L134 HydrophobicContact CB-CG 4.49Å; R131-L134 WeakPolarHBondContact O-CB 3.42Å; R131-L134 PolarHBondContact O-N 3.46Å; R131-V135 PolarHBondContact O-N 2.72Å; R131-G150 PolarHBondContact NH1-O 3.44Å
132L98.1Very high93.7Very high0 Ų040.7 Ų40.70%019%0.188CC..Hα-helixtrans-59.8-36.2-165.3-175.259.2000114.2L82 D85 S109 I117 R118 I120 V135 M136 V166L82-L132 HydrophobicContact CD2-CD1 3.32Å; D85-L132 HydrophobicContact CB-CD2 4.02Å; S109-L132 VanDerWaalsContact CB-CD2 3.47Å; I117-L132 HydrophobicContact CG2-CB 3.68Å; R118-L132 WeakPolarHBondContact O-CB 3.25Å; R118-L132 PolarHBondContact O-N 3.14Å; I120-L132 HydrophobicContact CD1-CD1 3.68Å; I120-L132 HydrophobicContact CG1-CD1 4.13Å; L132-V135 WeakPolarHBondContact O-CB 3.48Å; L132-V135 PolarHBondContact O-N 2.92Å; L132-M136 HydrophobicContact CD1-CE 4.29Å; L132-M136 WeakPolarHBondContact O-CG 3.31Å; L132-M136 PolarHBondContact O-N 2.7Å; L132-V166 HydrophobicContact CB-CG1 4.42Å; L132-V166 HydrophobicContact CD2-CG1 3.98Å; L132-V166 HydrophobicContact CG-CG1 4Å
133D97.9Very high93.6Very high0 Ų041.6 Ų41.60%020%0.195CC..Hα-helixtrans-74-26.9176.853.6-9.1000114.3I117 R131 V135 M136 V137 L153 K155 V166 I171I117-D133 HydrophobicContact CD1-CB 4.3Å; I117-D133 WeakPolarHBondContact CD1-OD2 3.23Å; R131-D133 VanDerWaalsContact C-N 3.33Å; R131-D133 WeakPolarHBondContact CD-OD1 2.95Å; R131-D133 VanDerWaalsContact CG-OD1 3.29Å; R131-D133 WeakPolarHBondContact CG-OD1 3.4Å; R131-D133 IonicContact CZ-OD1 3.78Å; R131-D133 IonicContact CZ-OD2 3.75Å; R131-D133 IonicContact NE-OD1 3.19Å; R131-D133 PolarHBondContact NE-OD1 3.42Å; R131-D133 IonicContact NE-OD2 3.83Å; R131-D133 IonicContact NH2-OD1 2.73Å; R131-D133 PolarHBondContact NH2-OD1 3.49Å; R131-D133 IonicContact NH2-OD2 2.71Å; R131-D133 PolarHBondContact NH2-OD2 2.94Å; R131-D133 PolarHBondContact O-N 3.1Å; D133-V135 VanDerWaalsContact C-N 3.32Å; D133-M136 PolarHBondContact O-N 2.68Å; D133-V137 WeakPolarHBondContact O-CG2 3.37Å; D133-V137 PolarHBondContact O-N 3.37Å; D133-V137 VanDerWaalsContact O-N 3.09Å; D133-L153 HydrophobicContact CB-CD1 4.09Å; D133-K155 IonicContact OD2-NZ 3.11Å; D133-K155 PolarHBondContact OD2-NZ 2.83Å; D133-V166 HydrophobicContact CB-CG1 4.49Å; D133-I171 HydrophobicContact CB-CD1 3.64Å; D133-I171 HydrophobicContact CB-CG1 4.48Å
134L97.9Very high93.5Very high2 Ų242.8 Ų42.81%0.0120%0.204CC..Hα-helixtrans-61.7-44.4165.4-71.6169.1000110.2R131 M136 V137 I138 L145 D149 L153R131-L134 HydrophobicContact CB-CD1 4.14Å; R131-L134 HydrophobicContact CB-CG 4.49Å; R131-L134 WeakPolarHBondContact O-CB 3.42Å; R131-L134 PolarHBondContact O-N 3.46Å; L134-M136 VanDerWaalsContact C-N 3.32Å; L134-M136 PolarHBondContact O-N 3.44Å; L134-V137 PolarHBondContact O-N 3.06Å; L134-I138 WeakPolarHBondContact O-CD1 3.42Å; L134-I138 VanDerWaalsContact O-CG1 3.27Å; L134-I138 WeakPolarHBondContact O-CG1 3.44Å; L134-I138 PolarHBondContact O-N 2.81Å; L134-L145 HydrophobicContact CD2-CB 4.12Å; L134-L145 HydrophobicContact CD2-CD1 3.8Å; L134-D149 HydrophobicContact CD2-CB 4.24Å; L134-L153 HydrophobicContact CB-CD1 4.49Å; L134-L153 HydrophobicContact CD2-CD1 3.71Å; L134-L153 HydrophobicContact CD2-CD2 4.2Å; L134-L153 HydrophobicContact CD2-CG 3.86Å; L134-L153 HydrophobicContact CG-CD1 3.87Å
135V98.3Very high93.9Very high0 Ų032.9 Ų32.90%017%0.167CC..Hα-helixtrans-61.6-41.6179.1-177.60000111F34 L78 L82 I120 C122 W130 R131 L132 D133 I138 L139F34-V135 HydrophobicContact CZ-CG1 4.18Å; F34-V135 HydrophobicContact CZ-CG2 4.37Å; L78-V135 HydrophobicContact CD2-CG1 4.34Å; L82-V135 HydrophobicContact CD2-CG1 4.28Å; I120-V135 HydrophobicContact CD1-CG1 4.33Å; I120-V135 HydrophobicContact CD1-CG2 4.48Å; I120-V135 HydrophobicContact CG1-CG2 4.28Å; C122-V135 WeakPolarHBondContact SG-CG2 3.49Å; W130-V135 HydrophobicContact CB-CG2 3.57Å; W130-V135 HydrophobicContact CG-CG2 4.48Å; R131-V135 PolarHBondContact O-N 2.72Å; L132-V135 WeakPolarHBondContact O-CB 3.48Å; L132-V135 PolarHBondContact O-N 2.92Å; D133-V135 VanDerWaalsContact C-N 3.32Å; V135-I138 PolarHBondContact O-N 3.33Å; V135-L139 HydrophobicContact CG1-CD1 3.6Å; V135-L139 HydrophobicContact CG1-CG 4.17Å; V135-L139 WeakPolarHBondContact O-CB 3.11Å; V135-L139 WeakPolarHBondContact O-CG 3.5Å; V135-L139 PolarHBondContact O-N 3.48Å
136M98Very high94.5Very high0 Ų028.2 Ų28.20%015%0.145CC..Hα-helixtrans-64.5-40.7176.7-66.8-60.5-16700113.2L82 I86 F94 L132 D133 L134 F140 V166 P168L82-M136 HydrophobicContact CB-CE 4.4Å; L82-M136 HydrophobicContact CD1-CE 4.37Å; L82-M136 HydrophobicContact CD1-SD 4.16Å; L82-M136 HydrophobicContact CD2-CE 3.84Å; L82-M136 HydrophobicContact CD2-SD 4.24Å; L82-M136 HydrophobicContact CG-CE 4.43Å; I86-M136 HydrophobicContact CD1-CE 3.7Å; I86-M136 HydrophobicContact CG1-CE 4.21Å; F94-M136 HydrophobicContact CE1-CE 4.39Å; F94-M136 HydrophobicContact CE2-CE 4.43Å; F94-M136 HydrophobicContact CE2-SD 4.29Å; F94-M136 HydrophobicContact CZ-CE 3.92Å; F94-M136 HydrophobicContact CZ-SD 3.69Å; L132-M136 HydrophobicContact CD1-CE 4.29Å; L132-M136 WeakPolarHBondContact O-CG 3.31Å; L132-M136 PolarHBondContact O-N 2.7Å; D133-M136 PolarHBondContact O-N 2.68Å; L134-M136 VanDerWaalsContact C-N 3.32Å; L134-M136 PolarHBondContact O-N 3.44Å; M136-F140 WeakPolarHBondContact O-CD2 3.36Å; M136-F140 PolarHBondContact O-N 3.27Å; M136-F140 VanDerWaalsContact O-N 3.12Å; M136-F140 HydrophobicContact SD-CD2 4.29Å; M136-F140 HydrophobicContact SD-CE2 3.88Å; M136-V166 WeakPolarHBondContact CB-O 3.1Å; M136-V166 HydrophobicContact CE-CB 4.3Å; M136-V166 HydrophobicContact CE-CG2 4.04Å; M136-V166 HydrophobicContact CG-CB 4.14Å; M136-V166 WeakPolarHBondContact CG-O 3.43Å; M136-P168 HydrophobicContact CB-CG 4.15Å
137V97.9Very high94.9Very high0 Ų028.6 Ų28.60%015%0.147CC..Hα-helixtrans-67.9-44.5176.6173.30000111.3D133 L134 L139 K141 G142 L145 L153 I171 V173D133-V137 WeakPolarHBondContact O-CG2 3.37Å; D133-V137 PolarHBondContact O-N 3.37Å; D133-V137 VanDerWaalsContact O-N 3.09Å; L134-V137 PolarHBondContact O-N 3.06Å; V137-L139 PolarHBondContact O-N 3.1Å; V137-K141 HydrophobicContact CG1-CB 4.34Å; V137-K141 HydrophobicContact CG1-CD 4.5Å; V137-K141 CarbonylContact O-C 3.56Å; V137-K141 WeakPolarHBondContact O-CA 3.25Å; V137-K141 VanDerWaalsContact O-CB 3.32Å; V137-K141 WeakPolarHBondContact O-CB 3.29Å; V137-K141 PolarHBondContact O-N 3.39Å; V137-G142 PolarHBondContact O-N 3.28Å; V137-L145 HydrophobicContact CB-CD1 4.15Å; V137-L145 HydrophobicContact CG1-CD1 3.69Å; V137-L153 HydrophobicContact CG2-CD2 4.15Å; V137-I171 HydrophobicContact CG2-CB 3.86Å; V137-I171 HydrophobicContact CG2-CD1 4.27Å; V137-I171 HydrophobicContact CG2-CG2 3.44Å; V137-I171 VanDerWaalsContact CG2-CG2 3.44Å; V137-V173 HydrophobicContact CG1-CG2 3.92Å
138I97.9Very high95.8Very high0 Ų027.9 Ų27.90%015%0.146CC..Hα-helixtrans-58.9-49.8175.6-65.3161.3000110.1S30 F34 W130 L134 V135 G142 S143 L145S30-I138 PolarHBondContact OG-O 3.25Å; F34-I138 HydrophobicContact CD2-CG2 4.37Å; F34-I138 HydrophobicContact CE1-CD1 3.77Å; F34-I138 HydrophobicContact CE2-CB 4.3Å; F34-I138 HydrophobicContact CE2-CG2 3.63Å; F34-I138 HydrophobicContact CZ-CB 4.02Å; F34-I138 HydrophobicContact CZ-CD1 3.65Å; F34-I138 HydrophobicContact CZ-CG1 4.44Å; F34-I138 HydrophobicContact CZ-CG2 3.76Å; W130-I138 HydrophobicContact CE3-CD1 4.11Å; W130-I138 HydrophobicContact CZ3-CD1 3.77Å; L134-I138 WeakPolarHBondContact O-CD1 3.42Å; L134-I138 VanDerWaalsContact O-CG1 3.27Å; L134-I138 WeakPolarHBondContact O-CG1 3.44Å; L134-I138 PolarHBondContact O-N 2.81Å; V135-I138 PolarHBondContact O-N 3.33Å; I138-G142 WeakPolarHBondContact O-CA 3.23Å; I138-G142 PolarHBondContact O-N 3Å; I138-S143 WeakPolarHBondContact CG1-O 3.38Å; I138-L145 HydrophobicContact CD1-CB 4.47Å; I138-L145 HydrophobicContact CG1-CB 4.3Å
139L97.9Very high96Very high1 Ų126.2 Ų26.21%0.00514%0.14CC..Hα-helixtrans-67.7-41-173.4-73.2171.5000114.6V26 R27 S30 F34 W74 L78 L82 V135 V137V26-L139 CarbonylContact C-O 3.58Å; V26-L139 WeakPolarHBondContact CA-O 3.36Å; V26-L139 HydrophobicContact CG1-CD2 3.61Å; R27-L139 WeakPolarHBondContact CG-O 3.05Å; R27-L139 PolarHBondContact N-O 2.94Å; S30-L139 WeakPolarHBondContact OG-CA 3.41Å; F34-L139 HydrophobicContact CE2-CD2 4.41Å; W74-L139 HydrophobicContact CH2-CD2 3.73Å; W74-L139 HydrophobicContact CZ3-CD2 4.28Å; L78-L139 HydrophobicContact CD2-CD1 4.01Å; L78-L139 HydrophobicContact CD2-CD2 4.02Å; L78-L139 HydrophobicContact CG-CD1 4.31Å; L82-L139 HydrophobicContact CD1-CD1 3.5Å; V135-L139 HydrophobicContact CG1-CD1 3.6Å; V135-L139 HydrophobicContact CG1-CG 4.17Å; V135-L139 WeakPolarHBondContact O-CB 3.11Å; V135-L139 WeakPolarHBondContact O-CG 3.5Å; V135-L139 PolarHBondContact O-N 3.48Å; V137-L139 PolarHBondContact O-N 3.1Å
140F97.4Very high96Very high13 Ų1323.9 Ų23.96%0.05713%0.129CC..Hα-helixtrans-106.5-28.1-170.6-63.1-74.6000113.4L22 H25 V26 R27 L79 F94 I98 M136 P168L22-F140 HydrophobicContact CD2-CE1 4.35Å; H25-F140 HydrophobicContact CB-CD1 4.14Å; H25-F140 HydrophobicContact CB-CE1 4.13Å; H25-F140 WeakPolarHBondContact O-CD1 3.37Å; V26-F140 HydrophobicContact CG2-CE1 3.85Å; V26-F140 HydrophobicContact CG2-CZ 3.98Å; R27-F140 PolarHBondContact NE-O 3.37Å; R27-F140 PolarHBondContact NH2-O 3.04Å; L79-F140 HydrophobicContact CD2-CZ 4.18Å; F94-F140 HydrophobicContact CE1-CE2 4.36Å; F94-F140 HydrophobicContact CE1-CZ 4.31Å; F94-F140 HydrophobicContact CZ-CD2 4.36Å; F94-F140 AromaticContact CZ-CE2 3.69Å; F94-F140 HydrophobicContact CZ-CE2 3.69Å; F94-F140 HydrophobicContact CZ-CZ 4.02Å; I98-F140 HydrophobicContact CD1-CB 4.45Å; I98-F140 HydrophobicContact CD1-CD1 4.18Å; I98-F140 HydrophobicContact CD1-CD2 4.47Å; I98-F140 HydrophobicContact CD1-CG 4.1Å; I98-F140 HydrophobicContact CG2-CD1 3.78Å; I98-F140 HydrophobicContact CG2-CE1 3.8Å; M136-F140 WeakPolarHBondContact O-CD2 3.36Å; M136-F140 PolarHBondContact O-N 3.27Å; M136-F140 VanDerWaalsContact O-N 3.12Å; M136-F140 HydrophobicContact SD-CD2 4.29Å; M136-F140 HydrophobicContact SD-CE2 3.88Å; F140-P168 HydrophobicContact CB-CB 4.23Å; F140-P168 HydrophobicContact CB-CG 3.9Å; F140-P168 HydrophobicContact CD2-CG 3.84Å; F140-P168 HydrophobicContact CG-CG 4.13Å
141K95.2Very high95.9Very high84 Ų8429.7 Ų29.737%0.36516%0.156SC..Hα-helixtrans-101.6-7.9174.8-61.7-173.3170.1-178.70114.1V137 S143 P168 I171V137-K141 HydrophobicContact CG1-CB 4.34Å; V137-K141 HydrophobicContact CG1-CD 4.5Å; V137-K141 CarbonylContact O-C 3.56Å; V137-K141 WeakPolarHBondContact O-CA 3.25Å; V137-K141 VanDerWaalsContact O-CB 3.32Å; V137-K141 WeakPolarHBondContact O-CB 3.29Å; V137-K141 PolarHBondContact O-N 3.39Å; K141-S143 PolarHBondContact O-N 3.16Å; K141-P168 WeakPolarHBondContact CE-O 3.13Å; K141-P168 PolarHBondContact NZ-O 2.69Å; K141-I171 PolarHBondContact NZ-O 2.86Å
142G94.9Very high95.8Very high2 Ų229.3 Ų29.32%0.02116%0.155CC..  trans6717.1175.700000114.8F29 V137 I138 S235F29-G142 VanDerWaalsContact CD1-O 3.3Å; F29-G142 WeakPolarHBondContact CD1-O 3.42Å; F29-G142 VanDerWaalsContact CE1-O 3.25Å; F29-G142 WeakPolarHBondContact CE1-O 3.1Å; V137-G142 PolarHBondContact O-N 3.28Å; I138-G142 WeakPolarHBondContact O-CA 3.23Å; I138-G142 PolarHBondContact O-N 3Å; G142-S235 WeakPolarHBondContact O-CB 3.46Å
143S94.1Very high95.7Very high26 Ų2630 Ų3018%0.18216%0.159CC..  trans-76.3135.1-174.1-430000111.8I138 K141 L145I138-S143 WeakPolarHBondContact CG1-O 3.38Å; K141-S143 PolarHBondContact O-N 3.16Å; S143-L145 PolarHBondContact O-N 3.02Å
144P93.5Very high95.6Very high53 Ų5333.4 Ų33.434%0.34418%0.179SC..  trans-79.958.5-176.236.4-40.7000112.4F29 W33 L231F29-P144 HydrophobicContact CE1-CB 4.41Å; F29-P144 HydrophobicContact CZ-CB 3.8Å; W33-P144 HydrophobicContact CD2-CB 4.4Å; W33-P144 HydrophobicContact CE3-CB 4.32Å; W33-P144 HydrophobicContact CH2-CB 3.83Å; W33-P144 VanDerWaalsContact CZ2-C 3.43Å; W33-P144 HydrophobicContact CZ2-CB 3.91Å; W33-P144 WeakPolarHBondContact CZ2-O 3.47Å; W33-P144 HydrophobicContact CZ3-CB 4.04Å; P144-L231 HydrophobicContact CB-CD1 4.3Å; P144-L231 HydrophobicContact CG-CD1 4.33Å; P144-L231 HydrophobicContact CG-CD2 4.02Å
145L94.6Very high95.6Very high4 Ų434.8 Ų34.82%0.02119%0.185CC..  trans-80.9134.2-178.4-63.3178.2000111.4W33 L134 V137 I138 S143 D149 L153 V173W33-L145 PolarHBondContact NE1-O 3.01Å; L134-L145 HydrophobicContact CD2-CB 4.12Å; L134-L145 HydrophobicContact CD2-CD1 3.8Å; V137-L145 HydrophobicContact CB-CD1 4.15Å; V137-L145 HydrophobicContact CG1-CD1 3.69Å; I138-L145 HydrophobicContact CD1-CB 4.47Å; I138-L145 HydrophobicContact CG1-CB 4.3Å; S143-L145 PolarHBondContact O-N 3.02Å; L145-D149 HydrophobicContact CB-CB 4.34Å; L145-D149 HydrophobicContact CD2-CB 4.25Å; L145-L153 HydrophobicContact CD1-CD2 3.66Å; L145-V173 HydrophobicContact CD1-CG2 4.08Å; L145-V173 HydrophobicContact CD2-CG1 3.98Å; L145-V173 HydrophobicContact CD2-CG2 4.45Å
146E93.3Very high95.4Very high75 Ų7536 Ų3635%0.3519%0.194SC..  trans-78.8164.5169.8-58.7-146.4146.100111.4W33 Q37 T148 D149W33-E146 HydrophobicContact CZ2-CG 4.28Å; Q37-E146 PolarHBondContact NE2-OE1 3.42Å; E146-T148 PolarHBondContact O-N 3.45Å; E146-D149 WeakPolarHBondContact CB-OD1 3.43Å; E146-D149 PolarHBondContact N-OD2 3.48Å; E146-D149 WeakPolarHBondContact O-CB 3.16Å; E146-D149 PolarHBondContact O-N 3.16Å
147S92.7Very high95.2Very high31 Ų3142.4 Ų42.422%0.21724%0.235CC..THydrogen-bonded Turntrans-68.9-1.6-176.170.70000115.5K128 W130K128-S147 WeakPolarHBondContact CE-OG 3.49Å; K128-S147 PolarHBondContact NZ-OG 2.85Å; W130-S147 VanDerWaalsContact CZ3-CA 3.43Å; W130-S147 VanDerWaalsContact CZ3-N 3.32Å
148T94.3Very high95Very high92 Ų9249.9 Ų49.956%0.56427%0.27SS*.THydrogen-bonded Turntrans-99.4-29.517930.80000112.2E146 G150E146-T148 PolarHBondContact O-N 3.45Å; T148-G150 PolarHBondContact O-N 3.3Å
149D94.8Very high94.9Very high17 Ų1750.1 Ų50.19%0.09127%0.272CS..  trans-64.223.6-169.4-64.732.2000115.7L134 L145 E146 E151 R152L134-D149 HydrophobicContact CD2-CB 4.24Å; L145-D149 HydrophobicContact CB-CB 4.34Å; L145-D149 HydrophobicContact CD2-CB 4.25Å; E146-D149 WeakPolarHBondContact CB-OD1 3.43Å; E146-D149 PolarHBondContact N-OD2 3.48Å; E146-D149 WeakPolarHBondContact O-CB 3.16Å; E146-D149 PolarHBondContact O-N 3.16Å; D149-E151 PolarHBondContact O-N 2.89Å; D149-R152 HydrophobicContact CB-CB 4.39Å; D149-R152 HydrophobicContact CB-CG 4.25Å; D149-R152 WeakPolarHBondContact O-CB 3.46Å; D149-R152 PolarHBondContact O-N 3.42Å; D149-R152 WeakPolarHBondContact OD2-CD 3.43Å; D149-R152 IonicContact OD2-CZ 2.7Å; D149-R152 IonicContact OD2-NH1 2.64Å; D149-R152 PolarHBondContact OD2-NH1 3.34Å
150G94.1Very high94.8Very high14 Ų1455.4 Ų55.414%0.14431%0.309CS..THydrogen-bonded Turntrans-68.1-16.1-176.300000114.3R131 T148R131-G150 PolarHBondContact NH1-O 3.44Å; T148-G150 PolarHBondContact O-N 3.3Å
151E93.6Very high94.7Very high136 Ų13657.6 Ų57.664%0.63632%0.321SS*.THydrogen-bonded Turntrans-85.5-21170.173.9-61.314500113.4D149 L153D149-E151 PolarHBondContact O-N 2.89Å; E151-L153 PolarHBondContact O-N 3.09Å
152R94.9Very high94.7Very high66 Ų6658.5 Ų58.525%0.24933%0.326CS..SBendtrans-74.4-10.5171.5-57.9177.875.2-170.211.2112.5D149 V173 T174 D179D149-R152 HydrophobicContact CB-CB 4.39Å; D149-R152 HydrophobicContact CB-CG 4.25Å; D149-R152 WeakPolarHBondContact O-CB 3.46Å; D149-R152 PolarHBondContact O-N 3.42Å; D149-R152 WeakPolarHBondContact OD2-CD 3.43Å; D149-R152 IonicContact OD2-CZ 2.7Å; D149-R152 IonicContact OD2-NH1 2.64Å; D149-R152 PolarHBondContact OD2-NH1 3.34Å; R152-V173 HydrophobicContact CB-CG1 4.46Å; R152-V173 CarbonylContact O-C 3.45Å; R152-V173 WeakPolarHBondContact O-CA 3.44Å; R152-T174 WeakPolarHBondContact CA-OG1 3.34Å; R152-T174 PolarHBondContact O-N 3.25Å; R152-T174 PolarHBondContact O-OG1 3.27Å; R152-D179 IonicContact NH2-OD2 2.73Å; R152-D179 PolarHBondContact NH2-OD2 3.26Å
153L96.6Very high94.7Very high15 Ų1560.6 Ų60.68%0.07935%0.348CS..EExtended strand (participates in β ladder)trans-87.4108.1177.4-64.2-167.1000111.7D133 L134 V137 L145 E151 I171 G172 V173D133-L153 HydrophobicContact CB-CD1 4.09Å; L134-L153 HydrophobicContact CB-CD1 4.49Å; L134-L153 HydrophobicContact CD2-CD1 3.71Å; L134-L153 HydrophobicContact CD2-CD2 4.2Å; L134-L153 HydrophobicContact CD2-CG 3.86Å; L134-L153 HydrophobicContact CG-CD1 3.87Å; V137-L153 HydrophobicContact CG2-CD2 4.15Å; L145-L153 HydrophobicContact CD1-CD2 3.66Å; E151-L153 PolarHBondContact O-N 3.09Å; L153-I171 HydrophobicContact CB-CG2 4.18Å; L153-I171 HydrophobicContact CD1-CG2 4.17Å; L153-I171 HydrophobicContact CD2-CG2 3.83Å; L153-I171 HydrophobicContact CG-CG2 4.29Å; L153-G172 WeakPolarHBondContact CA-O 3.48Å; L153-V173 HydrophobicContact CD2-CG2 4.16Å
154V96.6Very high94.9Very high70 Ų7060.7 Ų60.742%0.42435%0.347SS..EExtended strand (participates in β ladder)trans-97.5153.8169-74.40000110.8I171 G172 T174V154-I171 CarbonylContact O-C 3.54Å; V154-I171 WeakPolarHBondContact O-CA 3.28Å; V154-G172 PolarHBondContact N-O 3.28Å; V154-G172 PolarHBondContact O-N 2.86Å; V154-T174 HydrophobicContact CB-CG2 4.35Å; V154-T174 HydrophobicContact CG1-CG2 3.5Å; V154-T174 VanDerWaalsContact CG1-CG2 3.5Å; V154-T174 HydrophobicContact CG2-CG2 3.95Å
155K96.5Very high95.1Very high31 Ų3158.1 Ų58.114%0.13533%0.33CS..EExtended strand (participates in β ladder)trans-98.3143.2174.1-57.4-68.2177.4-177.70109.5D133 C159 H162 C165 H170 I171D133-K155 IonicContact OD2-NZ 3.11Å; D133-K155 PolarHBondContact OD2-NZ 2.83Å; K155-C159 HydrophobicContact CB-CB 4.35Å; K155-H162 HydrophobicContact CB-CB 4.41Å; K155-H162 WeakPolarHBondContact CB-CD2 3.48Å; K155-H162 WeakPolarHBondContact CB-NE2 3.47Å; K155-H162 WeakPolarHBondContact CE-O 3.43Å; K155-H162 HydrophobicContact CG-CB 3.96Å; K155-C165 PolarHBondContact NZ-O 3.33Å; K155-H170 CarbonylContact C-O 3.57Å; K155-H170 VanDerWaalsContact CA-O 3.28Å; K155-H170 WeakPolarHBondContact CA-O 3.26Å; K155-I171 HydrophobicContact CD-CG1 4.24Å
156S94.6Very high95.3Very high27 Ų2758 Ų5819%0.18933%0.329CS..PPolyproline II helixtrans-61142.9174.51740000110.5Q158 C159 H170S156-Q158 PolarHBondContact O-N 3.01Å; S156-Q158 PolarHBondContact OG-N 3.49Å; S156-C159 WeakPolarHBondContact O-CB 3.4Å; S156-C159 PolarHBondContact O-N 3.28Å; S156-H170 PolarHBondContact N-O 3.44Å
157P94.1Very high95.5Very high134 Ų13454.4 Ų54.487%0.8731%0.312SS*.THydrogen-bonded Turntrans-55.5-19.6171.6-26.135.3000114.4C159P157-C159 VanDerWaalsContact C-N 3.26Å; P157-C159 PolarHBondContact O-N 2.9Å
158Q92.8Very high95.7Very high156 Ų15653 Ų5373%0.72930%0.303SS*.THydrogen-bonded Turntrans-79.1-4.6174.7-61.9168.9-9.900113.1S156 S160S156-Q158 PolarHBondContact O-N 3.01Å; S156-Q158 PolarHBondContact OG-N 3.49Å; Q158-S160 PolarHBondContact O-N 3.39Å
159C96.7Very high95.8Very high6 Ų653 Ų534%0.04130%0.296CS..  trans-89.9103.2-177.8-173.80000111.6C106 K155 S156 P157 N161 H162 C165 H170C106-C159 VanDerWaalsContact SG-SG 3.69Å; K155-C159 HydrophobicContact CB-CB 4.35Å; S156-C159 WeakPolarHBondContact O-CB 3.4Å; S156-C159 PolarHBondContact O-N 3.28Å; P157-C159 VanDerWaalsContact C-N 3.26Å; P157-C159 PolarHBondContact O-N 2.9Å; C159-N161 PolarHBondContact O-N 3.43Å; C159-N161 VanDerWaalsContact O-N 3.13Å; C159-H162 PolarHBondContact O-CD2 3.38Å; C159-H162 PolarHBondContact O-NE2 2.86Å; C159-C165 WeakPolarHBondContact SG-CB 3.26Å; C159-H170 HydrophobicContact CB-CB 4.04Å
160S96Very high96Very high111 Ų11152.4 Ų52.478%0.77629%0.293SS*.SBendtrans-69.4-5.9177.557.30000115.3Q158Q158-S160 PolarHBondContact O-N 3.39Å
161N95.2Very high96.1Very high59 Ų5951.8 Ų51.832%0.31629%0.286SS..  trans-140.870.6-174.5-160-67.2000112.8L108 C159 G163 L164 C165L108-N161 HydrophobicContact CD2-CB 3.67Å; C159-N161 PolarHBondContact O-N 3.43Å; C159-N161 VanDerWaalsContact O-N 3.13Å; N161-G163 PolarHBondContact O-N 3.02Å; N161-G163 VanDerWaalsContact O-N 3.16Å; N161-L164 PolarHBondContact O-N 3.36Å; N161-L164 PolarHBondContact OD1-N 2.98Å; N161-L164 VanDerWaalsContact OD1-N 3.14Å; N161-C165 WeakPolarHBondContact O-CB 3.28Å; N161-C165 PolarHBondContact O-N 2.9Å
162H95.1Very high96.2Very high103 Ų10346.7 Ų46.748%0.47727%0.27SS..THydrogen-bonded Turntrans-58.1-29.4-178.6-70-172.4000114K155 C159K155-H162 HydrophobicContact CB-CB 4.41Å; K155-H162 WeakPolarHBondContact CB-CD2 3.48Å; K155-H162 WeakPolarHBondContact CB-NE2 3.47Å; K155-H162 WeakPolarHBondContact CE-O 3.43Å; K155-H162 HydrophobicContact CG-CB 3.96Å; C159-H162 PolarHBondContact O-CD2 3.38Å; C159-H162 PolarHBondContact O-NE2 2.86Å
163G95.5Very high96.2Very high47 Ų4745.7 Ų45.749%0.48527%0.271SS..THydrogen-bonded Turntrans-76.9-24.2-173.400000116I117 N161I117-G163 WeakPolarHBondContact CG1-O 3.27Å; N161-G163 PolarHBondContact O-N 3.02Å; N161-G163 VanDerWaalsContact O-N 3.16Å
164L97.9Very high96.1Very high27 Ų2747.3 Ų47.314%0.14128%0.281CS..THydrogen-bonded Turntrans-135.9-2.3-179.5-67.7174.7000114.7L108 S109 P111 N161 V166L108-L164 WeakPolarHBondContact CA-O 3.32Å; S109-L164 PolarHBondContact N-O 3.23Å; S109-L164 PolarHBondContact OG-O 3.13Å; P111-L164 HydrophobicContact CB-CD1 4.28Å; P111-L164 HydrophobicContact CB-CD2 3.95Å; N161-L164 PolarHBondContact O-N 3.36Å; N161-L164 PolarHBondContact OD1-N 2.98Å; N161-L164 VanDerWaalsContact OD1-N 3.14Å; L164-V166 PolarHBondContact O-N 2.81Å
165C98.2Very high95.8Very high0 Ų048.7 Ų48.70%029%0.29CS..BIsolated β-bridgetrans-75.2128.7-179.6-169.40000112.9V107 L108 K155 C159 N161V107-C165 CarbonylContact O-C 3.55Å; V107-C165 VanDerWaalsContact O-CA 3.29Å; V107-C165 WeakPolarHBondContact O-CA 3.36Å; V107-C165 PolarHBondContact O-SG 3.18Å; L108-C165 HydrophobicContact CD2-CB 3.98Å; K155-C165 PolarHBondContact NZ-O 3.33Å; C159-C165 WeakPolarHBondContact SG-CB 3.26Å; N161-C165 WeakPolarHBondContact O-CB 3.28Å; N161-C165 PolarHBondContact O-N 2.9Å
166V98.1Very high95.4Very high0 Ų054.3 Ų54.30%031%0.314CS..  trans-118.14.9-177-64.40000113.7I86 V107 I117 L132 D133 M136 L164 P168I86-V166 HydrophobicContact CG1-CG2 4.26Å; V107-V166 HydrophobicContact CG1-CG2 4.08Å; V107-V166 PolarHBondContact O-N 2.82Å; I117-V166 HydrophobicContact CG2-CG1 4.27Å; L132-V166 HydrophobicContact CB-CG1 4.42Å; L132-V166 HydrophobicContact CD2-CG1 3.98Å; L132-V166 HydrophobicContact CG-CG1 4Å; D133-V166 HydrophobicContact CB-CG1 4.49Å; M136-V166 WeakPolarHBondContact CB-O 3.1Å; M136-V166 HydrophobicContact CE-CB 4.3Å; M136-V166 HydrophobicContact CE-CG2 4.04Å; M136-V166 HydrophobicContact CG-CB 4.14Å; M136-V166 WeakPolarHBondContact CG-O 3.43Å; L164-V166 PolarHBondContact O-N 2.81Å; V166-P168 VanDerWaalsContact O-CD 3.31Å; V166-P168 WeakPolarHBondContact O-CD 3.48Å
167Q97.6Very high95.2Very high0 Ų061.4 Ų61.40%035%0.345CS..  trans-56.7116.2172.9170.664.2-10100111.5T97 C105 V107 H169 H170 I171T97-Q167 PolarHBondContact OG1-NE2 3.13Å; C105-Q167 VanDerWaalsContact O-CG 3.31Å; C105-Q167 WeakPolarHBondContact O-CG 3.48Å; C105-Q167 PolarHBondContact O-NE2 3.17Å; V107-Q167 HydrophobicContact CB-CB 4.24Å; Q167-H169 VanDerWaalsContact C-N 3.25Å; Q167-H169 HydrophobicContact CG-CB 4.04Å; Q167-H169 PolarHBondContact O-N 3.38Å; Q167-H169 PolarHBondContact OE1-ND1 2.73Å; Q167-H170 HydrophobicContact CB-CB 4.04Å; Q167-H170 HydrophobicContact CG-CB 4Å; Q167-H170 PolarHBondContact O-N 3.33Å; Q167-I171 WeakPolarHBondContact O-CD1 3.47Å; Q167-I171 WeakPolarHBondContact O-CG1 3.49Å; Q167-I171 PolarHBondContact O-N 3.27Å
168P97.1Very high94.7Very high2 Ų259.8 Ų59.81%0.01333%0.328CS..G310 helixtrans-52.4-39.7177.2-29.434.4000113.9F94 I98 M136 F140 K141 V166 H170 I171F94-P168 HydrophobicContact CE2-CG 4.46Å; I98-P168 HydrophobicContact CD1-CB 4.5Å; I98-P168 HydrophobicContact CD1-CG 3.77Å; M136-P168 HydrophobicContact CB-CG 4.15Å; F140-P168 HydrophobicContact CB-CB 4.23Å; F140-P168 HydrophobicContact CB-CG 3.9Å; F140-P168 HydrophobicContact CD2-CG 3.84Å; F140-P168 HydrophobicContact CG-CG 4.13Å; K141-P168 WeakPolarHBondContact CE-O 3.13Å; K141-P168 PolarHBondContact NZ-O 2.69Å; V166-P168 VanDerWaalsContact O-CD 3.31Å; V166-P168 WeakPolarHBondContact O-CD 3.48Å; P168-H170 PolarHBondContact O-N 3.38Å; P168-I171 PolarHBondContact O-N 2.83Å
169H96.5Very high94.4Very high92 Ų9255 Ų5543%0.42631%0.307SS..G310 helixtrans-63.4-25.4178.3-62101.2000113.1T97 P104 Q167T97-H169 PolarHBondContact O-CE1 2.69Å; P104-H169 HydrophobicContact CB-CB 3.75Å; P104-H169 HydrophobicContact CG-CB 3.75Å; Q167-H169 VanDerWaalsContact C-N 3.25Å; Q167-H169 HydrophobicContact CG-CB 4.04Å; Q167-H169 PolarHBondContact O-N 3.38Å; Q167-H169 PolarHBondContact OE1-ND1 2.73Å
170H97.7Very high93.9Very high5 Ų560.2 Ų60.22%0.02333%0.334CS..G310 helixtrans-91.52.4176.7-68.2-172.3000113.3C106 K155 S156 C159 Q167 P168C106-H170 PolarHBondContact N-CE1 3.38Å; C106-H170 PolarHBondContact SG-CE1 3.5Å; C106-H170 PolarHBondContact SG-ND1 2.67Å; C106-H170 VanDerWaalsContact SG-ND1 3.36Å; K155-H170 CarbonylContact C-O 3.57Å; K155-H170 VanDerWaalsContact CA-O 3.28Å; K155-H170 WeakPolarHBondContact CA-O 3.26Å; S156-H170 PolarHBondContact N-O 3.44Å; C159-H170 HydrophobicContact CB-CB 4.04Å; Q167-H170 HydrophobicContact CB-CB 4.04Å; Q167-H170 HydrophobicContact CG-CB 4Å; Q167-H170 PolarHBondContact O-N 3.33Å; P168-H170 PolarHBondContact O-N 3.38Å
171I97.8Very high93.3Very high1 Ų160 Ų601%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-117111.3-178.4-55.9155.7000109.3D133 V137 K141 L153 V154 K155 Q167 P168D133-I171 HydrophobicContact CB-CD1 3.64Å; D133-I171 HydrophobicContact CB-CG1 4.48Å; V137-I171 HydrophobicContact CG2-CB 3.86Å; V137-I171 HydrophobicContact CG2-CD1 4.27Å; V137-I171 HydrophobicContact CG2-CG2 3.44Å; V137-I171 VanDerWaalsContact CG2-CG2 3.44Å; K141-I171 PolarHBondContact NZ-O 2.86Å; L153-I171 HydrophobicContact CB-CG2 4.18Å; L153-I171 HydrophobicContact CD1-CG2 4.17Å; L153-I171 HydrophobicContact CD2-CG2 3.83Å; L153-I171 HydrophobicContact CG-CG2 4.29Å; V154-I171 CarbonylContact O-C 3.54Å; V154-I171 WeakPolarHBondContact O-CA 3.28Å; K155-I171 HydrophobicContact CD-CG1 4.24Å; Q167-I171 WeakPolarHBondContact O-CD1 3.47Å; Q167-I171 WeakPolarHBondContact O-CG1 3.49Å; Q167-I171 PolarHBondContact O-N 3.27Å; P168-I171 PolarHBondContact O-N 2.83Å
172G95.5Very high92.7Very high28 Ų2859.8 Ų59.829%0.28932%0.316SS..EExtended strand (participates in β ladder)trans-88.7159.9168.300000111.5L153 V154L153-G172 WeakPolarHBondContact CA-O 3.48Å; V154-G172 PolarHBondContact N-O 3.28Å; V154-G172 PolarHBondContact O-N 2.86Å
173V95.2Very high91.9Very high45 Ų4556.9 Ų56.927%0.27331%0.309SS..EExtended strand (participates in β ladder)trans-111128.6167.9-179.90000107.4V137 L145 R152 L153 V175V137-V173 HydrophobicContact CG1-CG2 3.92Å; L145-V173 HydrophobicContact CD1-CG2 4.08Å; L145-V173 HydrophobicContact CD2-CG1 3.98Å; L145-V173 HydrophobicContact CD2-CG2 4.45Å; R152-V173 HydrophobicContact CB-CG1 4.46Å; R152-V173 CarbonylContact O-C 3.45Å; R152-V173 WeakPolarHBondContact O-CA 3.44Å; L153-V173 HydrophobicContact CD2-CG2 4.16Å; V173-V175 PolarHBondContact O-N 3.16Å
174T93.4Very high91Very high49 Ų4961.9 Ų61.930%0.30132%0.315SS..PPolyproline II helixtrans-73.1119.7175.359.50000110.2R152 V154R152-T174 WeakPolarHBondContact CA-OG1 3.34Å; R152-T174 PolarHBondContact O-N 3.25Å; R152-T174 PolarHBondContact O-OG1 3.27Å; V154-T174 HydrophobicContact CB-CG2 4.35Å; V154-T174 HydrophobicContact CG1-CG2 3.5Å; V154-T174 VanDerWaalsContact CG1-CG2 3.5Å; V154-T174 HydrophobicContact CG2-CG2 3.95Å
175V89.6Confident89.7Confident99 Ų9964.3 Ų64.360%0.632%0.324SS*.PPolyproline II helixtrans-93.6126.2170.7-1800000107.1V173 D179 L180V173-V175 PolarHBondContact O-N 3.16Å; V175-D179 HydrophobicContact CG1-CB 3.59Å; V175-L180 HydrophobicContact CG1-CB 4.19Å
176K88.8Confident88.2Confident150 Ų15068 Ų6865%0.65235%0.347SS*.PPolyproline II helixtrans-83.8163.9173.4-66.7-174.3177.5-176.70110.9L178 D179 L180K176-L178 PolarHBondContact O-N 3.36Å; K176-D179 PolarHBondContact N-OD2 3.42Å; K176-D179 WeakPolarHBondContact O-CA 3.21Å; K176-D179 WeakPolarHBondContact O-CB 3.47Å; K176-D179 PolarHBondContact O-N 3.41Å; K176-L180 PolarHBondContact O-N 2.87Å
177E90Very high86.4Confident176 Ų17674.3 Ų74.382%0.82238%0.376SS*.Hα-helixtrans-53-42.3175.7-66.1168.4179.500112.1L180 Y181E177-L180 PolarHBondContact O-N 2.83Å; E177-Y181 VanDerWaalsContact O-CB 3.26Å; E177-Y181 WeakPolarHBondContact O-CB 3.44Å; E177-Y181 PolarHBondContact O-N 2.97Å
178L84.9Confident84.4Confident99 Ų9977.6 Ų77.652%0.51840%0.396SS..Hα-helixtrans-64.2-37.9173.8-178.961.8000113.1K176 L180 Y181 L182 F220K176-L178 PolarHBondContact O-N 3.36Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L178-Y181 PolarHBondContact O-N 2.89Å; L178-L182 HydrophobicContact CD1-CD1 4.12Å; L178-L182 HydrophobicContact CD1-CG 4.14Å; L178-L182 HydrophobicContact CG-CD1 4.03Å; L178-L182 HydrophobicContact CG-CG 4.48Å; L178-L182 WeakPolarHBondContact O-CB 3.35Å; L178-L182 VanDerWaalsContact O-CG 3.23Å; L178-L182 WeakPolarHBondContact O-CG 3.49Å; L178-L182 PolarHBondContact O-N 2.81Å; L178-F220 HydrophobicContact CD1-CE1 4.12Å
179D85.9Confident82.2Confident55 Ų5582.4 Ų82.429%0.29443%0.428SS..Hα-helixtrans-64.6-41.2176.4-63-36.7000110.2R152 V175 K176 A183R152-D179 IonicContact NH2-OD2 2.73Å; R152-D179 PolarHBondContact NH2-OD2 3.26Å; V175-D179 HydrophobicContact CG1-CB 3.59Å; K176-D179 PolarHBondContact N-OD2 3.42Å; K176-D179 WeakPolarHBondContact O-CA 3.21Å; K176-D179 WeakPolarHBondContact O-CB 3.47Å; K176-D179 PolarHBondContact O-N 3.41Å; D179-A183 WeakPolarHBondContact O-CB 3.34Å; D179-A183 PolarHBondContact O-N 3.38Å
180L85.8Confident80.1Confident116 Ų11685.4 Ų85.461%0.60744%0.442SS*.Hα-helixtrans-68.2-43177.3179.862.6000112.2V175 K176 E177 L178 A183 Y184V175-L180 HydrophobicContact CG1-CB 4.19Å; K176-L180 PolarHBondContact O-N 2.87Å; E177-L180 PolarHBondContact O-N 2.83Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L180-A183 WeakPolarHBondContact O-CB 3.34Å; L180-A183 PolarHBondContact O-N 3.44Å; L180-Y184 PolarHBondContact O-N 2.98Å
181Y83.3Confident77.5Confident107 Ų10795.2 Ų95.242%0.4249%0.488SS..Hα-helixtrans-61.2-47.9177.1-174.8-102.9000111.3E177 L178 A183 Y184 F185 F216 F220E177-Y181 VanDerWaalsContact O-CB 3.26Å; E177-Y181 WeakPolarHBondContact O-CB 3.44Å; E177-Y181 PolarHBondContact O-N 2.97Å; L178-Y181 PolarHBondContact O-N 2.89Å; Y181-A183 VanDerWaalsContact C-N 3.33Å; Y181-A183 PolarHBondContact O-N 3.11Å; Y181-Y184 PolarHBondContact O-N 3.04Å; Y181-F185 HydrophobicContact CD1-CD2 4.39Å; Y181-F185 HydrophobicContact CD2-CD2 4.39Å; Y181-F185 HydrophobicContact CD2-CE2 4.09Å; Y181-F185 HydrophobicContact CE1-CD2 4.21Å; Y181-F185 HydrophobicContact CE1-CE2 4.12Å; Y181-F185 HydrophobicContact CE2-CD2 4.21Å; Y181-F185 AromaticContact CE2-CE2 3.55Å; Y181-F185 HydrophobicContact CE2-CE2 3.55Å; Y181-F185 HydrophobicContact CG-CD2 4.48Å; Y181-F185 AromaticContact CZ-CE2 3.57Å; Y181-F185 WeakPolarHBondContact O-CD2 3.37Å; Y181-F185 PolarHBondContact O-N 3.41Å; Y181-F185 VanDerWaalsContact O-N 3.17Å; Y181-F216 HydrophobicContact CE1-CE2 4.04Å; Y181-F216 AromaticContact CE1-CZ 3.58Å; Y181-F216 HydrophobicContact CE1-CZ 3.58Å; Y181-F216 AromaticContact CZ-CZ 3.85Å; Y181-F216 WeakPolarHBondContact OH-CE2 3.38Å; Y181-F220 HydrophobicContact CD1-CZ 4.43Å; Y181-F220 HydrophobicContact CE1-CE2 4.32Å; Y181-F220 AromaticContact CE1-CZ 3.92Å; Y181-F220 HydrophobicContact CE1-CZ 3.92Å
182L82.1Confident74.8Confident54 Ų54100.7 Ų100.728%0.28353%0.526SS..Hα-helixtrans-62-39.4173.9-71.4170.2000112L178 V186 F220L178-L182 HydrophobicContact CD1-CD1 4.12Å; L178-L182 HydrophobicContact CD1-CG 4.14Å; L178-L182 HydrophobicContact CG-CD1 4.03Å; L178-L182 HydrophobicContact CG-CG 4.48Å; L178-L182 WeakPolarHBondContact O-CB 3.35Å; L178-L182 VanDerWaalsContact O-CG 3.23Å; L178-L182 WeakPolarHBondContact O-CG 3.49Å; L178-L182 PolarHBondContact O-N 2.81Å; L182-V186 WeakPolarHBondContact O-CG2 3.44Å; L182-V186 PolarHBondContact O-N 2.85Å; L182-V186 VanDerWaalsContact O-N 3.14Å; L182-F220 HydrophobicContact CD2-CB 4.07Å; L182-F220 HydrophobicContact CD2-CD1 3.71Å; L182-F220 HydrophobicContact CD2-CD2 4.27Å; L182-F220 HydrophobicContact CD2-CE1 4.23Å; L182-F220 HydrophobicContact CD2-CG 3.73Å
183A78.7Confident72.4Confident42 Ų42102.1 Ų102.135%0.34754%0.54SS..Hα-helixtrans-62.1-43.9175.500000112D179 L180 Y181 V186 H187D179-A183 WeakPolarHBondContact O-CB 3.34Å; D179-A183 PolarHBondContact O-N 3.38Å; L180-A183 WeakPolarHBondContact O-CB 3.34Å; L180-A183 PolarHBondContact O-N 3.44Å; Y181-A183 VanDerWaalsContact C-N 3.33Å; Y181-A183 PolarHBondContact O-N 3.11Å; A183-V186 PolarHBondContact O-N 3.47Å; A183-H187 WeakPolarHBondContact O-CB 3.38Å; A183-H187 PolarHBondContact O-CD2 3.33Å; A183-H187 VanDerWaalsContact O-CD2 3.25Å; A183-H187 PolarHBondContact O-N 2.81Å
184Y77Confident69.8Low153 Ų153108.8 Ų108.860%0.657%0.569SS**Hα-helixtrans-58.4-53.4177.2176.5-98.9000111.9L180 Y181 V186 H187 T188L180-Y184 PolarHBondContact O-N 2.98Å; Y181-Y184 PolarHBondContact O-N 3.04Å; Y184-V186 VanDerWaalsContact C-N 3.3Å; Y184-V186 PolarHBondContact O-N 3Å; Y184-H187 CarbonylContact O-C 3.53Å; Y184-H187 WeakPolarHBondContact O-CA 3.5Å; Y184-H187 PolarHBondContact O-N 3.24Å; Y184-T188 HydrophobicContact CE1-CG2 4.31Å; Y184-T188 HydrophobicContact CE2-CG2 4.43Å; Y184-T188 PolarHBondContact O-N 2.8Å
185F70.9Confident66.9Low77 Ų77112.1 Ų112.134%0.33859%0.594SS.*Hα-helixtrans-67.6-24.8-177.3-84.1-85.2000114.3Y181 T188 F216Y181-F185 HydrophobicContact CD1-CD2 4.39Å; Y181-F185 HydrophobicContact CD2-CD2 4.39Å; Y181-F185 HydrophobicContact CD2-CE2 4.09Å; Y181-F185 HydrophobicContact CE1-CD2 4.21Å; Y181-F185 HydrophobicContact CE1-CE2 4.12Å; Y181-F185 HydrophobicContact CE2-CD2 4.21Å; Y181-F185 AromaticContact CE2-CE2 3.55Å; Y181-F185 HydrophobicContact CE2-CE2 3.55Å; Y181-F185 HydrophobicContact CG-CD2 4.48Å; Y181-F185 AromaticContact CZ-CE2 3.57Å; Y181-F185 WeakPolarHBondContact O-CD2 3.37Å; Y181-F185 PolarHBondContact O-N 3.41Å; Y181-F185 VanDerWaalsContact O-N 3.17Å; F185-T188 PolarHBondContact O-OG1 2.86Å; F185-T188 VanDerWaalsContact O-OG1 3.07Å; F185-F216 HydrophobicContact CB-CE1 3.74Å; F185-F216 HydrophobicContact CB-CZ 4.39Å; F185-F216 AromaticContact CD1-CD1 3.82Å; F185-F216 HydrophobicContact CD1-CD1 3.82Å; F185-F216 AromaticContact CD1-CE1 3.3Å; F185-F216 HydrophobicContact CD1-CE1 3.3Å; F185-F216 AromaticContact CD1-CZ 3.72Å; F185-F216 HydrophobicContact CD1-CZ 3.72Å; F185-F216 AromaticContact CD2-CE1 3.79Å; F185-F216 HydrophobicContact CD2-CE1 3.79Å; F185-F216 AromaticContact CD2-CZ 3.57Å; F185-F216 HydrophobicContact CD2-CZ 3.57Å; F185-F216 HydrophobicContact CE1-CD1 4.18Å; F185-F216 AromaticContact CE1-CE1 3.77Å; F185-F216 HydrophobicContact CE1-CE1 3.77Å; F185-F216 HydrophobicContact CE1-CE2 4.25Å; F185-F216 AromaticContact CE1-CZ 3.78Å; F185-F216 HydrophobicContact CE1-CZ 3.78Å; F185-F216 HydrophobicContact CE2-CE1 4.23Å; F185-F216 HydrophobicContact CE2-CE2 4.34Å; F185-F216 AromaticContact CE2-CZ 3.66Å; F185-F216 HydrophobicContact CE2-CZ 3.66Å; F185-F216 HydrophobicContact CG-CD1 4.24Å; F185-F216 AromaticContact CG-CE1 3.31Å; F185-F216 HydrophobicContact CG-CE1 3.31Å; F185-F216 AromaticContact CG-CZ 3.61Å; F185-F216 HydrophobicContact CG-CZ 3.61Å; F185-F216 HydrophobicContact CZ-CE1 4.21Å; F185-F216 HydrophobicContact CZ-CE2 4.13Å; F185-F216 AromaticContact CZ-CZ 3.75Å; F185-F216 HydrophobicContact CZ-CZ 3.75Å
186V66.9Low64.5Low79 Ų79114.5 Ų114.548%0.47960%0.604SS.*Hα-helixtrans-84-18.6171.6-177.50000112L182 A183 Y184 V228L182-V186 WeakPolarHBondContact O-CG2 3.44Å; L182-V186 PolarHBondContact O-N 2.85Å; L182-V186 VanDerWaalsContact O-N 3.14Å; A183-V186 PolarHBondContact O-N 3.47Å; Y184-V186 VanDerWaalsContact C-N 3.3Å; Y184-V186 PolarHBondContact O-N 3Å; V186-V228 HydrophobicContact CB-CG2 4.24Å; V186-V228 HydrophobicContact CG1-CB 3.67Å; V186-V228 HydrophobicContact CG1-CG1 4.39Å; V186-V228 HydrophobicContact CG1-CG2 3.53Å
187H59.2Low61.8Low131 Ų131112.7 Ų112.761%0.60661%0.61SS**SBendtrans-88.32.6171.1-85.9-68.4000114.5A183 Y184 P189A183-H187 WeakPolarHBondContact O-CB 3.38Å; A183-H187 PolarHBondContact O-CD2 3.33Å; A183-H187 VanDerWaalsContact O-CD2 3.25Å; A183-H187 PolarHBondContact O-N 2.81Å; Y184-H187 CarbonylContact O-C 3.53Å; Y184-H187 WeakPolarHBondContact O-CA 3.5Å; Y184-H187 PolarHBondContact O-N 3.24Å; H187-P189 WeakPolarHBondContact O-CD 3.39Å
188T56.3Low59.2Low70 Ų70110.1 Ų110.143%0.42961%0.611SS.*  trans-105.770.7168.352.60000112.3Y184 F185 E190Y184-T188 HydrophobicContact CE1-CG2 4.31Å; Y184-T188 HydrophobicContact CE2-CG2 4.43Å; Y184-T188 PolarHBondContact O-N 2.8Å; F185-T188 PolarHBondContact O-OG1 2.86Å; F185-T188 VanDerWaalsContact O-OG1 3.07Å; T188-E190 PolarHBondContact O-N 3.33Å
189P49.8Very low56.9Low103 Ų103112.6 Ų112.667%0.66963%0.625SS**  trans-72.1119.316631.5-32000110H187 Q191H187-P189 WeakPolarHBondContact O-CD 3.39Å; P189-Q191 PolarHBondContact O-N 2.82Å
190E52.5Low54.6Low155 Ų155119.3 Ų119.372%0.72466%0.655SS**  trans4764.8150.8-56.8-172.6152.900118.2T188 S192T188-E190 PolarHBondContact O-N 3.33Å; E190-S192 PolarHBondContact O-N 3.45Å
191Q43Very low52.4Low210 Ų210123 Ų12398%0.98167%0.669SS**THydrogen-bonded Turntrans-8114.5149.9-83.1176.1-17.800112.9P189P189-Q191 PolarHBondContact O-N 2.82Å
192S42.8Very low50Low117 Ų117121.2 Ų121.282%0.81868%0.683SS**THydrogen-bonded Turntrans-116.18.9177.358.60000113.5E190E190-S192 PolarHBondContact O-N 3.45Å
193G45.2Very low48.1Very low57 Ų57126.3 Ų126.359%0.58871%0.71SS**SBendtrans-1112.8-171.700000116.1
194Q39.8Very low46Very low185 Ų185129.6 Ų129.686%0.86473%0.726SS**  trans-127.989.6-171-154.917050.500112.9
195S31.5Very low44.7Very low120 Ų120129.5 Ų129.584%0.83974%0.736SS**  trans-145.865.6169.366.40000111.1S197S195-S197 PolarHBondContact O-N 3.41Å
196D39.3Very low43.4Very low149 Ų149131.5 Ų131.580%0.79775%0.754SS**  trans-65114.4168.5-80-55.9000110.3
197S33.6Very low42.2Very low111 Ų111135.7 Ų135.778%0.77677%0.766SS**  trans173.6135.9130.9-83.50000116S195S195-S197 PolarHBondContact O-N 3.41Å
198S34.7Very low41.6Very low123 Ų123134.4 Ų134.486%0.8677%0.769SS**  trans86.6139.4154.478.60000120
199N37Very low40.9Very low151 Ų151136.7 Ų136.781%0.80779%0.785SS**  trans-80.8148.2-177.3-64.1-41.9000112.6
200Q37.2Very low40.8Very low195 Ų195136.4 Ų136.491%0.91179%0.792SS**  -164163.8112.9-109160114.400115.1
201Q40Very low40.6Very low194 Ų194136 Ų13691%0.90780%0.795SS**  trans-51.7142.1177-145.187.6-0.500113.2
202G31.5Very low41Very low69 Ų69129.9 Ų129.971%0.71179%0.788SS**  trans179.297.7169.500000113
203D42.9Very low41.2Very low162 Ų162132.5 Ų132.587%0.86679%0.787SS**  trans-83.6117.1171.9-179.422.9000109.9
204T35.3Very low41.4Very low110 Ų110135.1 Ų135.168%0.67579%0.787SS**  trans-147.7125.8170.849.50000110.8V206T204-V206 PolarHBondContact O-N 3.44Å
205D48.2Very low42.5Very low152 Ų152128.6 Ų128.681%0.81376%0.761SS**  trans-65.888.7170.8174.732.1000111.3K207D205-K207 PolarHBondContact O-N 2.86Å
206V45.3Very low43.8Very low118 Ų118126.5 Ų126.572%0.71574%0.737SS**  trans-87.883.4171.7-174.90000109.3T204T204-V206 PolarHBondContact O-N 3.44Å
207K41.6Very low44.9Very low168 Ų168127 Ų12773%0.7374%0.735SS**  trans-40.7126.4164.3177.6-179.9179.4177.20110.8D205D205-K207 PolarHBondContact O-N 2.86Å
208P45.2Very low46.5Very low104 Ų104126.4 Ų126.468%0.67572%0.723SS**  trans-62.6140.8-176.825-34.2000111.3A210P208-A210 PolarHBondContact O-N 2.83Å; P208-A210 VanDerWaalsContact O-N 3.16Å
209P41.5Very low48.3Very low117 Ų117124.3 Ų124.376%0.7671%0.707SS**  trans-66.7115.9-177.926.4-33.7000110.6N211P209-N211 PolarHBondContact O-N 3.49Å
210A49.6Very low49.9Very low98 Ų98120 Ų12081%0.8168%0.682SS**  trans-7769.1178.500000111.5P208P208-A210 PolarHBondContact O-N 2.83Å; P208-A210 VanDerWaalsContact O-N 3.16Å
211N47.2Very low51.3Low146 Ų146116.9 Ų116.978%0.78168%0.676SS**  trans-138.5125.6169.9-95.3-34.5000109.8P209 H213P209-N211 PolarHBondContact O-N 3.49Å; N211-H213 PolarHBondContact O-N 3.08Å
212G52.5Low52.8Low81 Ų81111.8 Ų111.884%0.83566%0.658SS**  trans-75.748.1-17700000114.3L214G212-L214 VanDerWaalsContact C-N 3.3Å; G212-L214 PolarHBondContact O-N 3.1Å
213H47Very low54.7Low172 Ų172111.9 Ų111.980%0.79665%0.647SS**  trans-73.987.5172.2-170.6-56.5000109.1N211 S215N211-H213 PolarHBondContact O-N 3.08Å; H213-S215 PolarHBondContact O-N 3.22Å
214L48.3Very low56.2Low113 Ų113105.4 Ų105.459%0.59262%0.619SS**  trans-45.7131.8167.2-66.4178.7000109.3G212 D218G212-L214 VanDerWaalsContact C-N 3.3Å; G212-L214 PolarHBondContact O-N 3.1Å; L214-D218 HydrophobicContact CB-CB 4.06Å; L214-D218 HydrophobicContact CD2-CB 4.1Å
215S62.3Low58.6Low47 Ų47100.3 Ų100.333%0.32959%0.587SS.*  trans-65.8159.5172.976.90000109.1H213 Q217 D218 C219H213-S215 PolarHBondContact O-N 3.22Å; S215-Q217 PolarHBondContact O-N 2.78Å; S215-Q217 PolarHBondContact OG-N 3.17Å; S215-D218 WeakPolarHBondContact CA-OD2 3.46Å; S215-D218 WeakPolarHBondContact CB-OD2 3.4Å; S215-D218 PolarHBondContact N-OD2 2.83Å; S215-D218 WeakPolarHBondContact O-CB 3.41Å; S215-D218 PolarHBondContact O-N 2.84Å; S215-D218 VanDerWaalsContact OG-CG 3.27Å; S215-D218 PolarHBondContact OG-N 2.85Å; S215-D218 PolarHBondContact OG-OD2 3.1Å; S215-C219 PolarHBondContact O-N 2.93Å
216F59.9Low60.4Low76 Ų7694.7 Ų94.733%0.33356%0.555SS.*THydrogen-bonded Turntrans-54.9-28.8174.6180-91.8000112.6Y181 F185 C219 F220Y181-F216 HydrophobicContact CE1-CE2 4.04Å; Y181-F216 AromaticContact CE1-CZ 3.58Å; Y181-F216 HydrophobicContact CE1-CZ 3.58Å; Y181-F216 AromaticContact CZ-CZ 3.85Å; Y181-F216 WeakPolarHBondContact OH-CE2 3.38Å; F185-F216 HydrophobicContact CB-CE1 3.74Å; F185-F216 HydrophobicContact CB-CZ 4.39Å; F185-F216 AromaticContact CD1-CD1 3.82Å; F185-F216 HydrophobicContact CD1-CD1 3.82Å; F185-F216 AromaticContact CD1-CE1 3.3Å; F185-F216 HydrophobicContact CD1-CE1 3.3Å; F185-F216 AromaticContact CD1-CZ 3.72Å; F185-F216 HydrophobicContact CD1-CZ 3.72Å; F185-F216 AromaticContact CD2-CE1 3.79Å; F185-F216 HydrophobicContact CD2-CE1 3.79Å; F185-F216 AromaticContact CD2-CZ 3.57Å; F185-F216 HydrophobicContact CD2-CZ 3.57Å; F185-F216 HydrophobicContact CE1-CD1 4.18Å; F185-F216 AromaticContact CE1-CE1 3.77Å; F185-F216 HydrophobicContact CE1-CE1 3.77Å; F185-F216 HydrophobicContact CE1-CE2 4.25Å; F185-F216 AromaticContact CE1-CZ 3.78Å; F185-F216 HydrophobicContact CE1-CZ 3.78Å; F185-F216 HydrophobicContact CE2-CE1 4.23Å; F185-F216 HydrophobicContact CE2-CE2 4.34Å; F185-F216 AromaticContact CE2-CZ 3.66Å; F185-F216 HydrophobicContact CE2-CZ 3.66Å; F185-F216 HydrophobicContact CG-CD1 4.24Å; F185-F216 AromaticContact CG-CE1 3.31Å; F185-F216 HydrophobicContact CG-CE1 3.31Å; F185-F216 AromaticContact CG-CZ 3.61Å; F185-F216 HydrophobicContact CG-CZ 3.61Å; F185-F216 HydrophobicContact CZ-CE1 4.21Å; F185-F216 HydrophobicContact CZ-CE2 4.13Å; F185-F216 AromaticContact CZ-CZ 3.75Å; F185-F216 HydrophobicContact CZ-CZ 3.75Å; F216-C219 WeakPolarHBondContact O-CB 3.42Å; F216-F220 HydrophobicContact CD1-CE2 4.41Å; F216-F220 HydrophobicContact CD2-CE2 4.32Å; F216-F220 HydrophobicContact CE1-CD2 4.12Å; F216-F220 AromaticContact CE1-CE2 3.84Å; F216-F220 HydrophobicContact CE1-CE2 3.84Å; F216-F220 AromaticContact CE2-CE2 3.75Å; F216-F220 HydrophobicContact CE2-CE2 3.75Å; F216-F220 HydrophobicContact CZ-CD2 4.25Å; F216-F220 AromaticContact CZ-CE2 3.5Å; F216-F220 HydrophobicContact CZ-CE2 3.5Å; F216-F220 HydrophobicContact CZ-CZ 4.31Å; F216-F220 VanDerWaalsContact O-CD2 3.3Å; F216-F220 WeakPolarHBondContact O-CD2 3.45Å
217Q61.8Low62.2Low160 Ų16092.9 Ų92.975%0.74854%0.541SS*.THydrogen-bonded Turntrans-74.5-32.9177.7-61.8179.50.800112.4S215 C219 F220S215-Q217 PolarHBondContact O-N 2.78Å; S215-Q217 PolarHBondContact OG-N 3.17Å; Q217-C219 PolarHBondContact O-N 3.12Å; Q217-F220 PolarHBondContact O-N 3.42Å
218D67.3Low64.1Low99 Ų9987.3 Ų87.353%0.52952%0.521SS..THydrogen-bonded Turntrans-68.2-24.6176.8-59.9-58.3000112.5L214 S215 F220L214-D218 HydrophobicContact CB-CB 4.06Å; L214-D218 HydrophobicContact CD2-CB 4.1Å; S215-D218 WeakPolarHBondContact CA-OD2 3.46Å; S215-D218 WeakPolarHBondContact CB-OD2 3.4Å; S215-D218 PolarHBondContact N-OD2 2.83Å; S215-D218 WeakPolarHBondContact O-CB 3.41Å; S215-D218 PolarHBondContact O-N 2.84Å; S215-D218 VanDerWaalsContact OG-CG 3.27Å; S215-D218 PolarHBondContact OG-N 2.85Å; S215-D218 PolarHBondContact OG-OD2 3.1Å; D218-F220 PolarHBondContact O-N 2.81Å
219C73Confident65.9Low78 Ų7885.4 Ų85.453%0.52751%0.514SS..THydrogen-bonded Turntrans-66.4-17.5174-64.50000113.6S215 F216 Q217S215-C219 PolarHBondContact O-N 2.93Å; F216-C219 WeakPolarHBondContact O-CB 3.42Å; Q217-C219 PolarHBondContact O-N 3.12Å
220F71.1Confident68.1Low62 Ų6282.1 Ų82.127%0.27249%0.489SS..  trans-124.299.1-173.7-63.3-73.4000113L178 Y181 L182 F216 Q217 D218 T222L178-F220 HydrophobicContact CD1-CE1 4.12Å; Y181-F220 HydrophobicContact CD1-CZ 4.43Å; Y181-F220 HydrophobicContact CE1-CE2 4.32Å; Y181-F220 AromaticContact CE1-CZ 3.92Å; Y181-F220 HydrophobicContact CE1-CZ 3.92Å; L182-F220 HydrophobicContact CD2-CB 4.07Å; L182-F220 HydrophobicContact CD2-CD1 3.71Å; L182-F220 HydrophobicContact CD2-CD2 4.27Å; L182-F220 HydrophobicContact CD2-CE1 4.23Å; L182-F220 HydrophobicContact CD2-CG 3.73Å; F216-F220 HydrophobicContact CD1-CE2 4.41Å; F216-F220 HydrophobicContact CD2-CE2 4.32Å; F216-F220 HydrophobicContact CE1-CD2 4.12Å; F216-F220 AromaticContact CE1-CE2 3.84Å; F216-F220 HydrophobicContact CE1-CE2 3.84Å; F216-F220 AromaticContact CE2-CE2 3.75Å; F216-F220 HydrophobicContact CE2-CE2 3.75Å; F216-F220 HydrophobicContact CZ-CD2 4.25Å; F216-F220 AromaticContact CZ-CE2 3.5Å; F216-F220 HydrophobicContact CZ-CE2 3.5Å; F216-F220 HydrophobicContact CZ-CZ 4.31Å; F216-F220 VanDerWaalsContact O-CD2 3.3Å; F216-F220 WeakPolarHBondContact O-CD2 3.45Å; Q217-F220 PolarHBondContact O-N 3.42Å; D218-F220 PolarHBondContact O-N 2.81Å; F220-T222 VanDerWaalsContact C-N 3.33Å; F220-T222 PolarHBondContact O-N 3.37Å
221V65.6Low69.8Low129 Ų12979.4 Ų79.478%0.78246%0.46SS*.  trans-71.785.4174.9-1730000110.8
222T70.9Confident71.6Confident87 Ų8775.4 Ų75.453%0.53444%0.441SS..  trans-62.9160.4170.572.60000111.1K53 F220 G224K53-T222 PolarHBondContact NZ-O 2.87Å; F220-T222 VanDerWaalsContact C-N 3.33Å; F220-T222 PolarHBondContact O-N 3.37Å; T222-G224 PolarHBondContact O-N 3.5Å; T222-G224 PolarHBondContact OG1-N 3Å
223S71.6Confident73.3Confident70 Ų7079 Ų7949%0.4943%0.429SS..  trans-55.7-36.3173.4165.30000112.2K53 V225K53-S223 VanDerWaalsContact CD-O 3.28Å; K53-S223 WeakPolarHBondContact CD-O 3.35Å; K53-S223 VanDerWaalsContact CE-O 3.26Å; K53-S223 WeakPolarHBondContact CE-O 3.06Å; K53-S223 WeakPolarHBondContact CG-O 3.37Å; S223-V225 PolarHBondContact O-N 3.16Å; S223-V225 WeakPolarHBondContact OG-CG2 3.23Å
224G74.4Confident75.1Confident26 Ų2672 Ų7227%0.26840%0.398SS..SBendtrans69.47.1179.800000115.1R57 T222R57-G224 VanDerWaalsContact CD-O 3.26Å; R57-G224 WeakPolarHBondContact CD-O 3.15Å; R57-G224 PolarHBondContact NE-O 2.82Å; T222-G224 PolarHBondContact O-N 3.5Å; T222-G224 PolarHBondContact OG1-N 3Å
225V85.5Confident77Confident3 Ų367.6 Ų67.62%0.01838%0.377CS..SBendtrans-89.1-44.1175.6178.90000110.8L36 E56 K60 S223L36-V225 HydrophobicContact CD2-CG1 4.18Å; E56-V225 HydrophobicContact CB-CG1 4.28Å; E56-V225 HydrophobicContact CB-CG2 3.5Å; E56-V225 HydrophobicContact CG-CG2 4.46Å; K60-V225 HydrophobicContact CB-CG1 4.16Å; K60-V225 HydrophobicContact CD-CG1 4.11Å; K60-V225 VanDerWaalsContact CD-O 3.27Å; K60-V225 WeakPolarHBondContact CD-O 3.31Å; K60-V225 WeakPolarHBondContact CE-O 3.49Å; K60-V225 HydrophobicContact CG-CG1 4.48Å; K60-V225 PolarHBondContact NZ-O 3.17Å; S223-V225 PolarHBondContact O-N 3.16Å; S223-V225 WeakPolarHBondContact OG-CG2 3.23Å
226W86Confident78.2Confident35 Ų3571.2 Ų71.213%0.13339%0.389CS..SBendtrans-115.9135.4171.1-58.495.3000108.9F29 T32 W33 K60 L64 E230 L231 V234F29-W226 AromaticContact CD2-CH2 3.96Å; F29-W226 HydrophobicContact CD2-CH2 3.96Å; F29-W226 AromaticContact CD2-CZ2 3.98Å; F29-W226 HydrophobicContact CD2-CZ2 3.98Å; F29-W226 AromaticContact CE2-CE2 3.98Å; F29-W226 HydrophobicContact CE2-CH2 4.15Å; F29-W226 AromaticContact CE2-CZ2 3.72Å; F29-W226 HydrophobicContact CE2-CZ2 3.72Å; T32-W226 HydrophobicContact CG2-CH2 3.83Å; T32-W226 HydrophobicContact CG2-CZ2 3.76Å; W33-W226 AromaticContact CE3-NE1 4Å; W33-W226 AromaticContact CZ3-NE1 3.82Å; K60-W226 HydrophobicContact CD-CD2 3.75Å; K60-W226 HydrophobicContact CD-CE3 3.74Å; K60-W226 HydrophobicContact CD-CG 4.45Å; K60-W226 HydrophobicContact CD-CH2 3.91Å; K60-W226 HydrophobicContact CD-CZ2 3.92Å; K60-W226 HydrophobicContact CD-CZ3 3.8Å; K60-W226 HydrophobicContact CG-CD2 4.42Å; K60-W226 HydrophobicContact CG-CE3 4.48Å; K60-W226 HydrophobicContact CG-CH2 3.75Å; K60-W226 HydrophobicContact CG-CZ2 3.65Å; K60-W226 HydrophobicContact CG-CZ3 4.15Å; L64-W226 HydrophobicContact CD1-CH2 4.12Å; L64-W226 HydrophobicContact CD1-CZ3 4.06Å; L64-W226 HydrophobicContact CD2-CH2 4.12Å; L64-W226 HydrophobicContact CD2-CZ3 4.46Å; L64-W226 HydrophobicContact CG-CH2 4.34Å; W226-E230 HydrophobicContact CE3-CB 4.29Å; W226-L231 HydrophobicContact CB-CB 4.47Å; W226-V234 HydrophobicContact CE3-CG2 4.19Å; W226-V234 HydrophobicContact CH2-CG2 3.99Å; W226-V234 HydrophobicContact CZ3-CB 4.44Å; W226-V234 HydrophobicContact CZ3-CG1 4.23Å; W226-V234 HydrophobicContact CZ3-CG2 3.52Å
227N84.7Confident79.5Confident79 Ų7970.8 Ų70.842%0.42239%0.393SS..  trans-89.9163.6157.161.464.9000109.7A229 E230 L231N227-A229 PolarHBondContact O-N 2.87Å; N227-A229 PolarHBondContact OD1-N 3.26Å; N227-E230 PolarHBondContact ND2-OE1 2.95Å; N227-E230 PolarHBondContact O-N 3Å; N227-E230 WeakPolarHBondContact OD1-CB 3.46Å; N227-E230 WeakPolarHBondContact OD1-CG 3.36Å; N227-E230 PolarHBondContact OD1-N 3.49Å; N227-L231 WeakPolarHBondContact O-CB 3.48Å; N227-L231 PolarHBondContact O-N 2.73Å
228V81.4Confident80.8Confident52 Ų5265.4 Ų65.432%0.31537%0.372SS..Hα-helixtrans-64.8-38.4-175.1171.80000111.8V186 E230 L231 V232V186-V228 HydrophobicContact CB-CG2 4.24Å; V186-V228 HydrophobicContact CG1-CB 3.67Å; V186-V228 HydrophobicContact CG1-CG1 4.39Å; V186-V228 HydrophobicContact CG1-CG2 3.53Å; V228-E230 PolarHBondContact O-N 2.94Å; V228-L231 PolarHBondContact O-N 3.34Å; V228-V232 HydrophobicContact CG1-CG2 4.09Å; V228-V232 WeakPolarHBondContact O-CB 3.5Å; V228-V232 VanDerWaalsContact O-CG2 3.29Å; V228-V232 WeakPolarHBondContact O-CG2 3.21Å; V228-V232 PolarHBondContact O-N 2.88Å
229A82.9Confident81.9Confident64 Ų6461.1 Ų61.153%0.52935%0.349SS..Hα-helixtrans-66-3717900000113N227 R233N227-A229 PolarHBondContact O-N 2.87Å; N227-A229 PolarHBondContact OD1-N 3.26Å; A229-R233 VanDerWaalsContact O-CB 3.28Å; A229-R233 WeakPolarHBondContact O-CB 3.3Å; A229-R233 PolarHBondContact O-N 2.91Å
230E86Confident82.5Confident48 Ų4857.8 Ų57.822%0.22433%0.327CS..Hα-helixtrans-63.7-52168.2-81.5172.8-152.700111.3K60 W226 N227 V228 V232 R233 V234K60-E230 IonicContact NZ-OE1 2.69Å; K60-E230 IonicContact NZ-OE2 2.67Å; K60-E230 PolarHBondContact NZ-OE2 3.24Å; W226-E230 HydrophobicContact CE3-CB 4.29Å; N227-E230 PolarHBondContact ND2-OE1 2.95Å; N227-E230 PolarHBondContact O-N 3Å; N227-E230 WeakPolarHBondContact OD1-CB 3.46Å; N227-E230 WeakPolarHBondContact OD1-CG 3.36Å; N227-E230 PolarHBondContact OD1-N 3.49Å; V228-E230 PolarHBondContact O-N 2.94Å; E230-V232 PolarHBondContact O-N 2.96Å; E230-R233 WeakPolarHBondContact O-CB 3.29Å; E230-R233 PolarHBondContact O-N 3.27Å; E230-R233 VanDerWaalsContact O-N 3.11Å; E230-V234 WeakPolarHBondContact O-CG2 3.35Å; E230-V234 PolarHBondContact O-N 2.71Å
231L85.6Confident82.6Confident40 Ų4059.7 Ų59.721%0.20934%0.344CS..Hα-helixtrans-59.5-46.2-175.1-17865.7000111.6F29 P144 W226 N227 V228 R233 S235F29-L231 HydrophobicContact CD2-CD1 4.34Å; F29-L231 HydrophobicContact CE2-CD1 3.76Å; F29-L231 HydrophobicContact CZ-CD1 4.03Å; P144-L231 HydrophobicContact CB-CD1 4.3Å; P144-L231 HydrophobicContact CG-CD1 4.33Å; P144-L231 HydrophobicContact CG-CD2 4.02Å; W226-L231 HydrophobicContact CB-CB 4.47Å; N227-L231 WeakPolarHBondContact O-CB 3.48Å; N227-L231 PolarHBondContact O-N 2.73Å; V228-L231 PolarHBondContact O-N 3.34Å; L231-R233 PolarHBondContact O-N 2.73Å; L231-S235 WeakPolarHBondContact O-CB 3.31Å; L231-S235 PolarHBondContact O-N 3.29Å; L231-S235 PolarHBondContact O-OG 2.6Å
232V85.9Confident82.1Confident62 Ų6257.3 Ų57.338%0.37634%0.338SS..Hα-helixtrans-59.2-45.5174.6170.80000110.7V228 E230 S235 Q236V228-V232 HydrophobicContact CG1-CG2 4.09Å; V228-V232 WeakPolarHBondContact O-CB 3.5Å; V228-V232 VanDerWaalsContact O-CG2 3.29Å; V228-V232 WeakPolarHBondContact O-CG2 3.21Å; V228-V232 PolarHBondContact O-N 2.88Å; E230-V232 PolarHBondContact O-N 2.96Å; V232-S235 PolarHBondContact O-OG 3.17Å; V232-S235 VanDerWaalsContact O-OG 3.1Å; V232-Q236 VanDerWaalsContact O-CG 3.27Å; V232-Q236 WeakPolarHBondContact O-CG 3.35Å; V232-Q236 PolarHBondContact O-N 2.85Å
233R87.8Confident80.6Confident157 Ų15759.8 Ų59.859%0.59235%0.353SS*.Hα-helixtrans-61-52.5179-166.5-167.6-45.5159.29.1112.3A229 E230 L231 Q236 T237A229-R233 VanDerWaalsContact O-CB 3.28Å; A229-R233 WeakPolarHBondContact O-CB 3.3Å; A229-R233 PolarHBondContact O-N 2.91Å; E230-R233 WeakPolarHBondContact O-CB 3.29Å; E230-R233 PolarHBondContact O-N 3.27Å; E230-R233 VanDerWaalsContact O-N 3.11Å; L231-R233 PolarHBondContact O-N 2.73Å; R233-Q236 PolarHBondContact O-N 3.3Å; R233-T237 PolarHBondContact O-N 2.93Å; R233-T237 PolarHBondContact O-OG1 3.47Å
234V85.9Confident79.3Confident24 Ų2458.6 Ų58.615%0.14535%0.352CS..Hα-helixtrans-75.8-29.5-175.1-58.20000113.5F29 L64 W226 E230 Q236 T237F29-V234 HydrophobicContact CB-CB 4.28Å; F29-V234 HydrophobicContact CB-CG2 4Å; F29-V234 WeakPolarHBondContact CB-O 3.45Å; F29-V234 HydrophobicContact CD2-CG2 3.63Å; F29-V234 HydrophobicContact CG-CG2 4.17Å; L64-V234 HydrophobicContact CD2-CG1 4.18Å; W226-V234 HydrophobicContact CE3-CG2 4.19Å; W226-V234 HydrophobicContact CH2-CG2 3.99Å; W226-V234 HydrophobicContact CZ3-CB 4.44Å; W226-V234 HydrophobicContact CZ3-CG1 4.23Å; W226-V234 HydrophobicContact CZ3-CG2 3.52Å; E230-V234 WeakPolarHBondContact O-CG2 3.35Å; E230-V234 PolarHBondContact O-N 2.71Å; V234-Q236 PolarHBondContact O-N 3.43Å; V234-T237 PolarHBondContact O-N 3.47Å
235S87.6Confident77.4Confident21 Ų2163 Ų6315%0.14738%0.376CS..Hα-helixtrans-70-22.9176.960.10000112.3R27 G142 L231 V232R27-S235 WeakPolarHBondContact CB-O 3.25Å; R27-S235 WeakPolarHBondContact CD-O 3.23Å; R27-S235 WeakPolarHBondContact CG-O 3.42Å; G142-S235 WeakPolarHBondContact O-CB 3.46Å; L231-S235 WeakPolarHBondContact O-CB 3.31Å; L231-S235 PolarHBondContact O-N 3.29Å; L231-S235 PolarHBondContact O-OG 2.6Å; V232-S235 PolarHBondContact O-OG 3.17Å; V232-S235 VanDerWaalsContact O-OG 3.1Å
236Q88.1Confident74.9Confident123 Ų12370.3 Ų70.358%0.57542%0.415SS*.Hα-helixtrans-84.4-34.2174.6-69.2174.47.700113R27 V232 R233 V234R27-Q236 PolarHBondContact NH1-O 2.9Å; V232-Q236 VanDerWaalsContact O-CG 3.27Å; V232-Q236 WeakPolarHBondContact O-CG 3.35Å; V232-Q236 PolarHBondContact O-N 2.85Å; R233-Q236 PolarHBondContact O-N 3.3Å; V234-Q236 PolarHBondContact O-N 3.43Å
237T87.3Confident72.3Confident68 Ų6877.8 Ų77.842%0.41745%0.448SS..SBendtrans-61.7128.9-177.5-44.20000112.4R27 A28 R233 V234R27-T237 CarbonylContact C-O 3.59Å; R27-T237 WeakPolarHBondContact CA-O 3.22Å; A28-T237 HydrophobicContact CB-CG2 4.45Å; A28-T237 PolarHBondContact N-O 3.35Å; R233-T237 PolarHBondContact O-N 2.93Å; R233-T237 PolarHBondContact O-OG1 3.47Å; V234-T237 PolarHBondContact O-N 3.47Å
238P88.8Confident69.7Low46 Ų4677.9 Ų77.930%0.29946%0.456SS..BIsolated β-bridgetrans-77.2154.7173.633.5-36.1000112.2P24 V26P24-P238 WeakPolarHBondContact O-CB 3.13Å; V26-P238 CarbonylContact O-C 3.53Å; V26-P238 WeakPolarHBondContact O-CA 3.17Å
239V89.4Confident67.6Low10 Ų1084.1 Ų84.16%0.06149%0.486CS..SBendtrans-75.9-27.7179.974.90000112.7L23 V26 A28 K71 Q72 A75L23-V239 HydrophobicContact CD1-CG1 3.96Å; L23-V239 HydrophobicContact CG-CG1 4.44Å; L23-V239 WeakPolarHBondContact O-CG1 3.16Å; V26-V239 HydrophobicContact CB-CG1 3.8Å; V26-V239 HydrophobicContact CG1-CB 4.39Å; V26-V239 HydrophobicContact CG1-CG1 3.87Å; V26-V239 WeakPolarHBondContact O-CG1 3.19Å; V26-V239 PolarHBondContact O-N 2.96Å; A28-V239 HydrophobicContact CB-CB 4.44Å; K71-V239 HydrophobicContact CB-CG2 3.68Å; Q72-V239 HydrophobicContact CG-CG2 4.36Å; Q72-V239 WeakPolarHBondContact CG-O 3.49Å; Q72-V239 PolarHBondContact NE2-O 2.88Å; A75-V239 HydrophobicContact CB-CG1 3.77Å; A75-V239 HydrophobicContact CB-CG2 4.25Å
240A86.4Confident65.5Low8 Ų884.9 Ų84.97%0.06649%0.492CS..SBendtrans-119.2122.3165.100000109.3L23 P24 Q72 A242L23-A240 HydrophobicContact CD2-CB 4.08Å; L23-A240 HydrophobicContact CG-CB 3.86Å; P24-A240 WeakPolarHBondContact CA-O 3.37Å; Q72-A240 HydrophobicContact CG-CB 4.13Å; A240-A242 PolarHBondContact O-N 3.44Å
241T73.4Confident63.2Low102 Ų10289.3 Ų89.363%0.62652%0.518SS*.  trans-65127.1162.844.90000108.7T243T241-T243 VanDerWaalsContact C-N 3.31Å; T241-T243 PolarHBondContact O-N 2.94Å
242A53.9Low60.9Low78 Ų7895.4 Ų95.465%0.64555%0.549SS*.  trans-7282.417900000111.3P24 A240 G244P24-A242 HydrophobicContact CB-CB 4.23Å; P24-A242 HydrophobicContact CG-CB 4.49Å; A240-A242 PolarHBondContact O-N 3.44Å; A242-G244 PolarHBondContact O-N 2.98Å
243T40.9Very low58.4Low140 Ų14099.8 Ų99.886%0.85957%0.571SS**  trans-76.468167.348.30000110.2T241T241-T243 VanDerWaalsContact C-N 3.31Å; T241-T243 PolarHBondContact O-N 2.94Å
244G43.1Very low55.7Low45 Ų4596.9 Ų96.946%0.46458%0.575SS.*SBendtrans-130.3163.316600000109.3A242 N246A242-G244 PolarHBondContact O-N 2.98Å; G244-N246 PolarHBondContact O-N 3.19Å
245P35.4Very low53.6Low118 Ų118102 Ų10277%0.76661%0.608SS**  trans-64.2122.8-17825.8-33.5000111.1F247P245-F247 PolarHBondContact O-N 3.23Å
246N31.7Very low51.1Low157 Ų157104 Ų10484%0.8463%0.632SS**  trans-66.698.8170.9-90.9-40000109.9G244 S248G244-N246 PolarHBondContact O-N 3.19Å; N246-S248 PolarHBondContact O-N 2.85Å
247F32.1Very low48.5Very low191 Ų191107.6 Ų107.684%0.83864%0.642SS**  trans-78.897.8153-92.2-86.7000108.1P245 L249P245-F247 PolarHBondContact O-N 3.23Å; F247-L249 PolarHBondContact O-N 3.41Å
248S29Very low46Very low82 Ų82114.4 Ų114.457%0.57366%0.661SS**  trans-59.6115.7168.1-690000109.2N246 A250N246-S248 PolarHBondContact O-N 2.85Å; S248-A250 PolarHBondContact O-N 3.25Å
249L39.3Very low43.2Very low183 Ų183118.8 Ų118.896%0.95868%0.682SS**THydrogen-bonded Turntrans-76.332.9179.3-156.985.8000112.5F247F247-L249 PolarHBondContact O-N 3.41Å
250A38Very low40.5Very low80 Ų80124.2 Ų124.266%0.66171%0.71SS**THydrogen-bonded Turntrans-112.1-24.2-170.800000113.4S248 L252S248-A250 PolarHBondContact O-N 3.25Å; A250-L252 VanDerWaalsContact C-N 3.33Å; A250-L252 PolarHBondContact O-N 3.25Å
251D37.2Very low37.8Very low141 Ų141130 Ų13075%0.75474%0.739SS**SBendtrans-94.928.6-173.9-59.1-55.8000113.4
252L38.5Very low35.9Very low167 Ų167133 Ų13387%0.87475%0.747SS**  trans-131.755.9177.4-130.695.6000112.9A250A250-L252 VanDerWaalsContact C-N 3.33Å; A250-L252 PolarHBondContact O-N 3.25Å
253D33.4Very low34.8Very low155 Ų155135.2 Ų135.283%0.82975%0.752SS**  trans-110.8133.7158.4-156.3-8.5000109
254S31.3Very low34.4Very low96 Ų96134 Ų13467%0.67174%0.744SS**  trans-128.9114.7-162.5-680000113.7
255P41.4Very low34Very low131 Ų131140.3 Ų140.385%0.85177%0.766SS**  trans-91101.5159.532.7-25.8000109.5
256G34.5Very low33.8Very low63 Ų63137.9 Ų137.965%0.64976%0.763SS**  trans-82.5158.2179.400000113.9
257Y33.7Very low33.9Very low198 Ų198141.2 Ų141.278%0.77676%0.764SS**  trans-152.9139.4162.9-116-68.9000113.2
258Y34.4Very low33.9Very low212 Ų212142.9 Ų142.983%0.83176%0.764SS**  trans68.6165.1172.1-62.1-63.3000119
259N30.6Very low34.2Very low137 Ų137144 Ų14473%0.73377%0.772SS**  trans-159.2164.2-144.7-178.113.9000110.6
260I31.8Very low34Very low125 Ų125143.3 Ų143.364%0.64177%0.768SS**  trans94.2138.2154-130.673.3000119.8
261N30.7Very low33.7Very low129 Ų129145.9 Ų145.969%0.6978%0.775SS**  trans68.1154.6162.5-68.4-14.6000120.2
262Q33.2Very low33.4Very low166 Ų166144.9 Ų144.978%0.77678%0.78SS**  cis-169.9165.8-42.2-130.4-174.231.700110.4
263V31.1Very low33.1Very low124 Ų124143.3 Ų143.375%0.75278%0.777SS**  trans78.4150.7157.3173.10000119.7
264T32.1Very low34.1Very low114 Ų114141.2 Ų141.270%0.69977%0.772SS**  trans-76.2155.9-161.3530000118.9
265L35.4Very low34Very low178 Ų178142.5 Ų142.593%0.93278%0.781SS**  158145.4128.4-84.5159.3000110.1
266G30.5Very low33.6Very low67 Ų67143 Ų14369%0.69178%0.781SS**  cis-176.9165-6.500000113.1
267R34.5Very low33.4Very low227 Ų227145.9 Ų145.986%0.85779%0.792SS**  trans-25.6145174.3-69.7172.5169.9-102.34.4116.3
268R32.1Very low33.7Very low226 Ų226141.3 Ų141.385%0.85379%0.789SS**  -172.2167.771.6-134.5164.1-67.2-149.62.7113.5
269S35.1Very low33.7Very low106 Ų106137.6 Ų137.674%0.74178%0.783SS**  trans-139.7142.6167.8172.40000109.7
270I34.7Very low33.8Very low167 Ų167139.7 Ų139.786%0.85679%0.786SS**  trans-158.9152.4162.941.3171.9000110.5
271T32.1Very low34.2Very low135 Ų135145.3 Ų145.383%0.82880%0.799SS**  trans-122.3136.8178.247.60000111.6
272S29.4Very low34.4Very low120 Ų120149 Ų14984%0.83981%0.809SS**  trans-163.4136.5156.548.80000113.9
273T33.4Very low34.2Very low134 Ų134145.5 Ų145.582%0.82280%0.803SS**  trans-103.3-166.2161.455.10000107.7
274P53.7Low34.4Very low110 Ų110146.6 Ų146.671%0.71480%0.803SS**  cis-137.2-173.9-4.543.6-26.3000115
275S29.5Very low34.6Very low124 Ų124147.6 Ų147.687%0.86780%0.804SS**  trans-164.8163.4143.270000112
276T33Very low34.7Very low140 Ų140145.1 Ų145.186%0.85979%0.791SS**  trans-134.7148.5-168.7500000113.6
277S31.3Very low35.4Very low124 Ų124146.2 Ų146.287%0.86779%0.789SS**  trans-152.6161.3157.569.10000111.6
278S39.3Very low35.6Very low102 Ų102143.5 Ų143.571%0.71379%0.786SS**  trans-164.3144.9-177.759.90000113.3
279N33.5Very low36Very low134 Ų134140.5 Ų140.572%0.71778%0.783SS**  trans164142.8132.4-95.2-74.7000116.8
280K32.9Very low36.1Very low181 Ų181142.8 Ų142.879%0.78778%0.782SS**  trans60.6103.4141.7-67.2172.7-177177.80124.7
281R41.6Very low36.1Very low244 Ų244139.1 Ų139.192%0.92177%0.771SS**  44.3151112.7-72.6-173.3173.3-175.7-2.3123.9
282K33.2Very low37.5Very low207 Ų207138 Ų13890%0.977%0.766SS**  trans93.7149.9167.5-75.7-165.1171.1-1680115.8
283S30.2Very low37.9Very low92 Ų92137.7 Ų137.764%0.64376%0.759SS**  cis-175.3158.1-14.8-176.10000111.2
284I34.9Very low38Very low146 Ų146138.2 Ų138.275%0.74976%0.757SS**  trans70.2125.5161-116.442.6000115.5
285D36.8Very low37Very low136 Ų136139.4 Ų139.473%0.72776%0.758SS**  82.6149.971.6-114.430.7000113
286D37.5Very low37.3Very low125 Ų125138.3 Ų138.367%0.66875%0.745SS**  cis-160.6175.513.5177-126.4000112.9
287S44.3Very low37.3Very low90 Ų90139.5 Ų139.563%0.62974%0.739SS**  trans74.4158.1158.8-81.50000117.7
288E38.6Very low37.4Very low171 Ų171143.2 Ų143.280%0.79974%0.735SS**  cis-153.3177.91.9-125.2-172127.700106.5
289M40.5Very low37Very low162 Ų162143.6 Ų143.680%0.79874%0.738SS**  cis-167.3169.1-3.850.8167.1179.500107.6
290E36.9Very low36.9Very low154 Ų154140.8 Ų140.872%0.7274%0.741SS**  cis-165.4113.4-40174.848.8-159.100111
291S36.3Very low36.8Very low90 Ų90144.2 Ų144.263%0.62975%0.749SS**  trans58.8-175.4147.4-90.80000123
292P59.8Low36.6Very low111 Ų111137.6 Ų137.672%0.72174%0.74SS**  cis-114.6-157.6-16.539.4-27.4000111.1
293V39.4Very low37.5Very low115 Ų115133.4 Ų133.470%0.69773%0.734SS**  cis-154.2167.24-93.70000105.4
294D34.8Very low37.6Very low144 Ų144133.5 Ų133.577%0.7774%0.74SS**  cis-162.8-172.7-20.5-81.3-18.8000104.9
295D33.1Very low37.5Very low136 Ų136131.9 Ų131.973%0.72775%0.749SS**  cis-157.3167.310.2-164.117.2000112.7
296V35.7Very low37.2Very low100 Ų100129.2 Ų129.261%0.60675%0.753SS**  trans38.5105.6149.6160.40000122.9
297F33.7Very low36.9Very low165 Ų165128.9 Ų128.972%0.72476%0.761SS**  43.5157.9128.8-66-83.2000123.9
298Y32.4Very low36.3Very low202 Ų202130.6 Ų130.679%0.79277%0.773SS**  cis-149.2154.511.8-129.3-64000112.3
299S31.4Very low36.1Very low111 Ų111127.2 Ų127.278%0.77677%0.768SS**  trans-65.9164.2166.4-47.50000113.3
300G30.1Very low35.7Very low75 Ų75128 Ų12877%0.77377%0.77SS**  cis136.9122-0.200000112.5
301R30.9Very low35.4Very low253 Ų253126 Ų12696%0.95577%0.773SS**  trans-162.3147.4173.7-140.5179.7-172.1-1641.6115
302S37.7Very low35.5Very low105 Ų105127 Ų12773%0.73478%0.78SS**  trans-97.6-175.3172.2-40.50000110.8
303P53.1Low34.1Very low118 Ų118125.3 Ų125.377%0.76678%0.782SS**  cis-144.4175.93.144.3-25.8000118.7
304A31.9Very low34.3Very low95 Ų95131.7 Ų131.779%0.78579%0.794SS**  trans80.7143.3140.500000124.2
305A32Very low35Very low112 Ų112130.4 Ų130.493%0.92679%0.793SS**  trans71.4135.415400000120.9
306G31.2Very low35.4Very low80 Ų80130.4 Ų130.483%0.82579%0.793SS**  trans149.789.8173.500000113.2
307S31.7Very low35.5Very low118 Ų118132.5 Ų132.583%0.82580%0.801SS**  trans-99.6170.3177.9-72.60000113.1
308S31.5Very low35.8Very low125 Ų125132.1 Ų132.187%0.87481%0.812SS**  trans87.8170.9164.9830000117.7
309S33.9Very low36Very low100 Ų100130.1 Ų130.170%0.69982%0.815SS**  trans-163.5179-152.457.70000111.9
310Q32.8Very low36.2Very low179 Ų179129.4 Ų129.484%0.83682%0.815SS**  trans90.9111.2169.2-53.5-178.65300118.6
311S29.1Very low36.2Very low112 Ų112129.5 Ų129.578%0.78382%0.817SS**  -151.3138.9121.244.80000106.6
312S40.4Very low36.4Very low112 Ų112125.6 Ų125.678%0.78381%0.814SS**  cis79.712815.390.40000116.3
313G28.9Very low36.1Very low74 Ų74126.2 Ų126.276%0.76382%0.818SS**  trans119.3104.1173.400000115.8
314W43.2Very low35.3Very low250 Ų250126.1 Ų126.195%0.94782%0.821SS**  trans-112139.3152.5-82.487.8000108
315P50.4Low35.9Very low117 Ų117128 Ų12876%0.7683%0.825SS**  trans-125.1172.3147.133.6-20.1000112
316N41.4Very low35.8Very low135 Ų135126.4 Ų126.472%0.72282%0.819SS**  trans-104.5-179.8-168-63.2-14.2000114.3
317D36.8Very low36Very low145 Ų145127.4 Ų127.478%0.77581%0.813SS**  trans76.3113.7145.9-57.2-41.5000120.3
318V41.8Very low36.1Very low157 Ų157130.4 Ų130.495%0.95281%0.814SS**  -157.2146.2124.3-93.20000109.8
319D36.2Very low36.2Very low160 Ų160133.8 Ų133.886%0.85681%0.813SS**  trans-98.6140.4173.1-179.8-79.6000110.7
320A35.6Very low36.2Very low95 Ų95138.9 Ų138.979%0.78582%0.822SS**  trans-166.7140.7162.200000114.3
321G29.6Very low36.1Very low78 Ų78137.7 Ų137.780%0.80482%0.821SS**  trans101.399.1131.800000118.7
322L35.6Very low36.1Very low171 Ų171136 Ų13690%0.89582%0.821SS**  trans-73.6152.3164.8-66.5163.2000112.4
323S31.1Very low35.9Very low117 Ų117139.3 Ų139.382%0.81882%0.821SS**  trans128.8134.1138.3-55.10000116.4
324S36.9Very low35.9Very low117 Ų117145.5 Ų145.582%0.81883%0.827SS**  trans-95.2162155.4-46.50000109.5
325P44.8Very low35.2Very low135 Ų135140 Ų14088%0.87782%0.817SS**  -152.9-177.892.140.4-23000114.5
326G29.8Very low34.1Very low77 Ų77143.4 Ų143.479%0.79482%0.82SS**  trans140.194.9157.500000116.5
327S33.7Very low33.5Very low101 Ų101141.2 Ų141.271%0.70682%0.815SS**  trans-66.5163.917158.90000114.1
328H35.8Very low33.2Very low181 Ų181138.8 Ų138.884%0.83882%0.815SS**  -159.2168.8120.2-105.8-73.6000113
329K33.2Very low32.7Very low196 Ų196139.1 Ų139.185%0.85281%0.811SS**  trans-88.4165.1-170.4-63.4167.5-176.6171.80110.1
330K32.6Very low32.3Very low207 Ų207136.1 Ų136.190%0.980%0.802SS**  -169.1158.156.1-172.5178.2175-175.10113.5
331L31.6Very low32Very low155 Ų155136 Ų13681%0.81280%0.796SS**  trans-81.1150.4177.4174.668.8000113.4
332G28Very low32.1Very low76 Ų76140.9 Ų140.978%0.78480%0.798SS**  trans-168.2113.9163.100000113.9
333K36.7Very low31.8Very low182 Ų182138.4 Ų138.479%0.79179%0.79SS**  trans-116.6146.7161.8-70.7-174.8175.6-1730108.2
334F28.3Very low31.8Very low203 Ų203144.3 Ų144.389%0.8979%0.794SS**  -177.3161121.4-110.9-74.1000111.6
335D29Very low31.7Very low135 Ų135143.6 Ų143.672%0.72279%0.789SS**  trans-96.7165.4-171.6-49.2-100.5000113.6
336F28.1Very low31.8Very low188 Ų188143.3 Ų143.383%0.82579%0.788SS**  143.599.5110.8-156.5-103.7000117.5
337S28.6Very low32.2Very low90 Ų90150.6 Ų150.663%0.62979%0.791SS**  trans65.9159.5133.1-530000125
338A30.2Very low32.2Very low93 Ų93154.7 Ų154.777%0.76980%0.801SS**  trans83.5137.1164.500000117.8
339L30.8Very low31.9Very low164 Ų164150.2 Ų150.286%0.85980%0.795SS**  cis-159.5154.40.5-127.7171.4000113.3
340S29Very low31.8Very low97 Ų97150.3 Ų150.368%0.67880%0.796SS**  trans74.7147.7160.4-142.20000117.8
341S27.9Very low31.6Very low94 Ų94146.3 Ų146.366%0.65779%0.789SS**  cis-149.4142.519.9-58.50000115.4
342Q32.4Very low31.4Very low180 Ų180146 Ų14684%0.84178%0.784SS**  trans53.2147.1137.5-65.9-174.81200121.6
343T29.1Very low31.6Very low118 Ų118150.3 Ų150.372%0.72478%0.783SS**  cis-148.4134.7-3.724.30000107.9
344R32.3Very low32.1Very low241 Ų241147.3 Ų147.391%0.90978%0.782SS**  81.4125.174.1-155.1-176.5-163.2-163.26.5115.7
345S34.7Very low32.6Very low103 Ų103144.9 Ų144.972%0.7278%0.778SS**  trans-118.9161174.21520000111
346P45.6Very low33.3Very low129 Ų129144.4 Ų144.484%0.83878%0.782SS**  trans-131.2-179.6148.937.7-24.3000114
347R38.5Very low33.4Very low229 Ų229143.7 Ų143.786%0.86478%0.783SS**  trans-146.3139-166.7176.2-165.5-161.6175.66.9109.6
348M33.8Very low33.7Very low188 Ų188147.7 Ų147.793%0.92680%0.797SS**  trans-167.6-176.2153.1-92.3-35.5163.200111.4
349A30.1Very low33.7Very low86 Ų86148.1 Ų148.171%0.71180%0.8SS**  trans-137.5-174-15700000115.8
350F29.8Very low33.6Very low198 Ų198143.6 Ų143.687%0.86879%0.793SS**  trans97.3161.3168.4-78.9-83.3000120.9
351T28.8Very low33.8Very low124 Ų124145.8 Ų145.876%0.76180%0.802SS**  trans6888.4169.456.40000121.9
352H28.9Very low34.2Very low149 Ų149152.3 Ų152.369%0.6981%0.812SS**  47.1134.7107.6-81.6-113.9000123.8
353H31.4Very low34.7Very low165 Ų165150 Ų15076%0.76481%0.813SS**  trans74.8159149.3-61.7-42.9000120.4
354P46.8Very low34.8Very low120 Ų120147.8 Ų147.878%0.77981%0.814SS**  cis-130.5178.6-21.132.1-12.4000115
355L38.7Very low34.6Very low152 Ų152140.4 Ų140.480%0.79681%0.812SS**  trans-80.5156.8164.5-70.3166.3000112
356P43.8Very low34.5Very low125 Ų125140.9 Ų140.981%0.81282%0.816SS**  trans-74.1143161.132.5-33.3000111.2
357M29.8Very low34.5Very low173 Ų173140.4 Ų140.485%0.85281%0.813SS**  trans-133.2138.4176.8-98.9-83.4171.500109.6
358L35.3Very low34.4Very low174 Ų174141 Ų14191%0.91182%0.815SS**  trans-142.9137.3163.5-139.178.7000109.3
359A30Very low34.2Very low101 Ų101136.3 Ų136.384%0.83581%0.806SS**  trans-85.6171.2175.900000111.1
360G29.4Very low34.3Very low69 Ų69137.3 Ų137.371%0.71181%0.808SS**  cis-139.9-160.2-3.600000109.5
361V33.3Very low34.4Very low144 Ų144133 Ų13387%0.87381%0.809SS**  cis-159.4157.435.1160.90000109.1
362R36.4Very low34.4Very low230 Ų230132.5 Ų132.587%0.86881%0.81SS**  trans-109.6147.3166.2-107-177.9174.9-173.2-0.5109
363P43.2Very low34.6Very low132 Ų132130 Ų13086%0.85782%0.815SS**  -135.117963.438.2-22.5000113.3
364G30.2Very low34.6Very low72 Ų72129.5 Ų129.574%0.74282%0.818SS**  cis169.6142.2-7.100000109.9
365G29.1Very low33.8Very low85 Ų85132.3 Ų132.388%0.87682%0.82SS**  trans167.5125.8-178.700000114.4
366S32.6Very low33.6Very low114 Ų114133.4 Ų133.480%0.79782%0.819SS**  trans-147.8142.5165.7-150.20000105.2
367P43.8Very low33.2Very low119 Ų119133 Ų13377%0.77382%0.816SS**  -146.9143.572.836.7-17.7000117.4
368R37.7Very low33.2Very low241 Ų241130 Ų13091%0.90981%0.812SS**  12.4108.2128.8-169.7-175.9-161.4163.14.4118.5
369A30.1Very low33.4Very low90 Ų90128 Ų12874%0.74481%0.809SS**  trans-160.6153.1150.200000107.6
370S30.6Very low33.5Very low107 Ų107128.6 Ų128.675%0.74881%0.808SS**  cis-177.1135.5-20.2-88.10000103.1S372S370-S372 PolarHBondContact O-N 3.5Å
371A32Very low33.9Very low108 Ų108133.3 Ų133.389%0.89382%0.815SS**  trans-79109.6-178.300000110.9A373A371-A373 PolarHBondContact O-N 2.69Å
372S29.9Very low34Very low112 Ų112134.6 Ų134.678%0.78382%0.815SS**  trans-83.692.6176.7-64.40000111.4S370 L374S370-S372 PolarHBondContact O-N 3.5Å; S372-L374 PolarHBondContact O-N 3.24Å
373A31.9Very low33.8Very low97 Ų97131.4 Ų131.480%0.80281%0.81SS**  trans-70.6120.1163.800000109.5A371 H375A371-A373 PolarHBondContact O-N 2.69Å; A373-H375 PolarHBondContact O-N 2.7Å
374L32Very low33.1Very low155 Ų155132.8 Ų132.881%0.81281%0.805SS**  trans-79.5106.2176.3-73.3174.8000110.2S372S372-L374 PolarHBondContact O-N 3.24Å
375H30.9Very low33.1Very low178 Ų178134.1 Ų134.182%0.82480%0.803SS**PPolyproline II helixtrans-89.1116.2179.6-159.1-56.4000110.1A373A373-H375 PolarHBondContact O-N 2.7Å
376F33.3Very low33.2Very low175 Ų175135.6 Ų135.677%0.76880%0.8SS**PPolyproline II helixtrans-79.1137.4171-71.2-88.7000110.2
377P36.5Very low33.8Very low117 Ų117136 Ų13676%0.7680%0.799SS**PPolyproline II helixtrans-88.6122.8172.732.3-30.9000111.1
378S29.8Very low33.3Very low110 Ų110141.1 Ų141.177%0.76981%0.805SS**PPolyproline II helixtrans-85.5129.5169-58.10000110.8
379P38.6Very low33.1Very low131 Ų131139.6 Ų139.685%0.85181%0.805SS**  trans-88113.7167.232.3-29.2000110.6
380S32.3Very low33.1Very low115 Ų115141.1 Ų141.180%0.80481%0.806SS**  trans-116.5107.1167.1-66.80000109.3
381I37Very low33.2Very low167 Ų167145 Ų14586%0.85681%0.811SS**  trans-139.1136.4167.1-98.3171.6000108.5
382I36.2Very low33.5Very low171 Ų171144.9 Ų144.988%0.87780%0.802SS**  trans-117.7112.6177.6-64171.7000107.7
383Q31.6Very low34.1Very low163 Ų163145.7 Ų145.776%0.76280%0.802SS**  trans-155.7107.8158.5-147.3160.9-11.700114.8
384Q29.7Very low34.4Very low161 Ų161147.7 Ų147.775%0.75280%0.798SS**  trans46.792.2139.6-61.7177-17.300121.1
385S30.2Very low34.7Very low100 Ų100151.6 Ų151.670%0.69980%0.802SS**  49.9121.4118.863.70000123.3
386S30.7Very low35Very low116 Ų116152.9 Ų152.981%0.81180%0.801SS**  trans77159.2134.2-63.80000119.8
387P44.5Very low35.1Very low122 Ų122152.2 Ų152.279%0.79280%0.8SS**  cis-118.9161.54.340.4-28.5000116
388Y34.7Very low35.1Very low227 Ų227155.4 Ų155.489%0.8981%0.805SS**PPolyproline II helixtrans-99.4151.1164.7-91.6-92000111.5
389F32.6Very low35.6Very low209 Ų209157.9 Ų157.992%0.91780%0.803SS**PPolyproline II helixtrans-71.8140.8173-128.3-96.9000111.2
390T30.4Very low35.6Very low122 Ų122157.9 Ų157.975%0.74880%0.803SS**PPolyproline II helixtrans-89.7139.6-174.253.10000113.2
391H33Very low36.4Very low188 Ų188155.5 Ų155.587%0.8780%0.797SS**  trans-107.6145155.7-114.8-96.7000109.8
392P38Very low36.6Very low106 Ų106155 Ų15569%0.68879%0.791SS**  trans-84166.6-173.234-36.3000113.6
393T41.3Very low37.2Very low130 Ų130151.8 Ų151.880%0.79878%0.776SS**  trans8077171.1-43.50000116.2
394I38.8Very low38.1Very low139 Ų139149 Ų14971%0.71377%0.772SS**  -171.9135.8119.5-91.9151000107.2Y396I394-Y396 HydrophobicContact CG2-CD2 3.48Å; I394-Y396 VanDerWaalsContact CG2-CD2 3.48Å; I394-Y396 HydrophobicContact CG2-CE2 3.51Å
395R39.7Very low38.9Very low237 Ų237147.8 Ų147.889%0.89477%0.77SS**  trans-102.2119.2172.4-76.8-175177.9172.3-0.3109.6
396Y35.4Very low39.7Very low204 Ų204150.2 Ų150.280%0.877%0.768SS**  trans-116.9133159.2-80.3-70.8000109.3I394I394-Y396 HydrophobicContact CG2-CD2 3.48Å; I394-Y396 VanDerWaalsContact CG2-CD2 3.48Å; I394-Y396 HydrophobicContact CG2-CE2 3.51Å
397H35.8Very low40.5Very low162 Ų162151.5 Ų151.575%0.7576%0.761SS**  trans-82.4113.2172.9-87.1-101.7000109.4
398H35.9Very low40.7Very low184 Ų184152.8 Ų152.885%0.85275%0.754SS**  trans-84.5115.7165.5-86.5-71.7000110.1
399H40.9Very low41.5Very low161 Ų161146.6 Ų146.675%0.74574%0.74SS**  trans-92.1130.3161.9-71.6-95.2000109
400P38.3Very low42.3Very low131 Ų131142.9 Ų142.985%0.85173%0.725SS**SBendtrans-81.8130.4176.931.5-32.3000111.3
401G50.5Low43Very low65 Ų65145.5 Ų145.567%0.6773%0.727SS**  trans95.575.816800000115.8
402Q40.9Very low43.9Very low156 Ų156141.5 Ų141.573%0.72972%0.715SS**  trans-138.5153.3152.9-80.4-53.7-56.600110.1
403D47.2Very low44.4Very low105 Ų105141.2 Ų141.256%0.56172%0.715SS**  trans-93.9115.5-174.8-137-39.7000109.8L405 K406D403-L405 PolarHBondContact O-N 2.63Å; D403-K406 PolarHBondContact O-N 2.67Å; D403-K406 VanDerWaalsContact O-N 3.07Å
404P51.3Low44.5Very low105 Ų105138.2 Ų138.268%0.68270%0.703SS**Hα-helixtrans-58.6-21.2-171.3-26.735000114.8K406P404-K406 VanDerWaalsContact C-N 3.35Å
405L46.4Very low44.4Very low135 Ų135139.8 Ų139.871%0.70771%0.713SS**Hα-helixtrans-72.6-22.8-179.5-66.4170.1000113.5D403D403-L405 PolarHBondContact O-N 2.63Å
406K47.8Very low44.3Very low151 Ų151131.9 Ų131.966%0.65771%0.705SS**Hα-helixtrans-73.1-39.9178.9-86.3-171.2172.2-179.80113D403 P404 F408 V409 Q410D403-K406 PolarHBondContact O-N 2.67Å; D403-K406 VanDerWaalsContact O-N 3.07Å; P404-K406 VanDerWaalsContact C-N 3.35Å; K406-F408 VanDerWaalsContact C-N 3.34Å; K406-F408 PolarHBondContact O-N 2.69Å; K406-V409 PolarHBondContact O-N 3.11Å; K406-Q410 WeakPolarHBondContact O-CB 3.49Å; K406-Q410 PolarHBondContact O-N 3.38Å
407E46.7Very low44.1Very low142 Ų142127.9 Ų127.966%0.66471%0.707SS**Hα-helixtrans-67.2-36.2-178.3-65.5-173.3162.300111.6Q410 F411E407-Q410 PolarHBondContact O-N 3.23Å; E407-F411 VanDerWaalsContact O-CB 3.26Å; E407-F411 WeakPolarHBondContact O-CB 3.2Å; E407-F411 PolarHBondContact O-N 3.06Å
408F47.9Very low43.9Very low150 Ų150124.1 Ų124.166%0.65871%0.712SS**Hα-helixtrans-63.2-43.6176.3-165.1-96.3000112.5K406 Q410 F411 V412K406-F408 VanDerWaalsContact C-N 3.34Å; K406-F408 PolarHBondContact O-N 2.69Å; F408-Q410 VanDerWaalsContact C-N 3.35Å; F408-F411 PolarHBondContact O-N 2.84Å; F408-V412 HydrophobicContact CD1-CG2 4.38Å; F408-V412 HydrophobicContact CE1-CG2 4.12Å; F408-V412 HydrophobicContact CZ-CG2 4.39Å; F408-V412 WeakPolarHBondContact O-CG2 3.49Å; F408-V412 PolarHBondContact O-N 2.84Å; F408-V412 VanDerWaalsContact O-N 3.15Å
409V52.5Low43.8Very low96 Ų96125 Ų12558%0.58272%0.716SS**Hα-helixtrans-67.9-35.6176.1177.80000111.4K406 C413K406-V409 PolarHBondContact O-N 3.11Å; V409-C413 WeakPolarHBondContact O-CB 3.42Å; V409-C413 PolarHBondContact O-SG 2.7Å
410Q50.3Low43.2Very low131 Ų131122.2 Ų122.261%0.61272%0.721SS**Hα-helixtrans-70.6-38.1177.1-168.561.171.400112.3K406 E407 F408 C413 A414K406-Q410 WeakPolarHBondContact O-CB 3.49Å; K406-Q410 PolarHBondContact O-N 3.38Å; E407-Q410 PolarHBondContact O-N 3.23Å; F408-Q410 VanDerWaalsContact C-N 3.35Å; Q410-C413 PolarHBondContact O-N 3.24Å; Q410-A414 WeakPolarHBondContact O-CB 3.27Å; Q410-A414 PolarHBondContact O-N 3.39Å
411F44.9Very low42.9Very low178 Ų178121.3 Ų121.378%0.78172%0.724SS**Hα-helixtrans-72.2-37.2-178.8-169-98.4000112.7E407 F408 C413E407-F411 VanDerWaalsContact O-CB 3.26Å; E407-F411 WeakPolarHBondContact O-CB 3.2Å; E407-F411 PolarHBondContact O-N 3.06Å; F408-F411 PolarHBondContact O-N 2.84Å; F411-C413 VanDerWaalsContact C-N 3.26Å; F411-C413 PolarHBondContact O-N 3.47Å
412V50.6Low41.9Very low104 Ų104122 Ų12263%0.6373%0.732SS**Hα-helixtrans-71.3-20.1176.8172.90000112.7F408F408-V412 HydrophobicContact CD1-CG2 4.38Å; F408-V412 HydrophobicContact CE1-CG2 4.12Å; F408-V412 HydrophobicContact CZ-CG2 4.39Å; F408-V412 WeakPolarHBondContact O-CG2 3.49Å; F408-V412 PolarHBondContact O-N 2.84Å; F408-V412 VanDerWaalsContact O-N 3.15Å
413C49.4Very low41.5Very low100 Ų100123.7 Ų123.768%0.67674%0.74SS**THydrogen-bonded Turntrans-110.211.7-175.7-67.30000114.4V409 Q410 F411V409-C413 WeakPolarHBondContact O-CB 3.42Å; V409-C413 PolarHBondContact O-SG 2.7Å; Q410-C413 PolarHBondContact O-N 3.24Å; F411-C413 VanDerWaalsContact C-N 3.26Å; F411-C413 PolarHBondContact O-N 3.47Å
414A43.7Very low41.5Very low67 Ų67123.6 Ų123.655%0.55475%0.745SS**  trans-128.459.7-171.800000114Q410Q410-A414 WeakPolarHBondContact O-CB 3.27Å; Q410-A414 PolarHBondContact O-N 3.39Å
415D37Very low40.5Very low172 Ų172126.6 Ų126.692%0.9276%0.755SS**  trans-136.5132.4156.8-159.2-4000110.1
416G36.1Very low39.7Very low70 Ų70124.1 Ų124.172%0.72276%0.762SS**  trans113.264.9-177.100000117.2
417S32.2Very low38.9Very low121 Ų121123.1 Ų123.185%0.84677%0.774SS**  trans-146.383.6157.858.50000113.9
418G31.3Very low38.2Very low82 Ų82119.8 Ų119.885%0.84578%0.778SS**  trans-99.3129.3160.900000110
419Q33.2Very low37.5Very low203 Ų203121.4 Ų121.495%0.94979%0.788SS**  trans-84.6139.1-175.3-64.3-177.35.200113.2
420A29.1Very low36.6Very low103 Ų103122 Ų12285%0.85180%0.796SS**  trans-148.6144.3151.800000108.7
421A32Very low35.8Very low111 Ų111125.4 Ų125.492%0.91781%0.809SS**  trans-101.6147.8-17200000113
422G30.2Very low35.4Very low81 Ų81125.6 Ų125.684%0.83582%0.815SS**  trans165.8109.4171.600000114.9
423Q32.6Very low34.7Very low191 Ų191126.1 Ų126.189%0.89382%0.82SS**  trans-110.8167.4157.8-104.1-163.5-7.500108.1
424P45.9Very low33.9Very low103 Ų103124.3 Ų124.367%0.66982%0.819SS**  cis-138.2178.823.342.2-24.5000117.2
425N31.8Very low33.7Very low168 Ų168126.2 Ų126.290%0.89883%0.827SS**  trans51.8127.1155-81.9-4.1000121.3
426G29Very low33.7Very low82 Ų82127.8 Ų127.885%0.84583%0.826SS**  trans178.6118.2163.400000113.1
427S31.3Very low34.1Very low130 Ų130131.8 Ų131.891%0.90983%0.831SS**  trans-89.6138.1-175.254.90000114.5
428G31.2Very low34.8Very low73 Ų73133.5 Ų133.575%0.75383%0.83SS**  trans112.3155.1137.500000120.1
429Q32.9Very low35.6Very low183 Ų183134.9 Ų134.986%0.85582%0.823SS**  trans57.491.9158.4-65.1-168.7-7.400121.1
430S34.9Very low36.3Very low108 Ų108130.6 Ų130.676%0.75581%0.813SS**  32.997.1117.761.80000120.3
431K33.4Very low37.1Very low204 Ų204131.2 Ų131.289%0.88781%0.809SS**  trans-163.4140.6134.4-121.2172.8-177.9174.80111.8
432M35.8Very low37.9Very low182 Ų182131.3 Ų131.390%0.89780%0.8SS**PPolyproline II helixtrans-79.7126.3165.7-73.8-69.5-169.100109.5
433P36.5Very low38.7Very low114 Ų114133.5 Ų133.574%0.7480%0.8SS**PPolyproline II helixtrans-77.5142.5166.132-32000110.5
434G32.5Very low39.4Very low63 Ų63131.2 Ų131.265%0.64980%0.798SS**PPolyproline II helixtrans-76.7165.9-179.900000113.9F436G434-F436 PolarHBondContact O-N 2.94Å
435S39.6Very low39.1Very low106 Ų106130.6 Ų130.674%0.74180%0.802SS**PPolyproline II helixtrans-59.2127.2178.2-175.50000112.7L437S435-L437 PolarHBondContact O-N 3.05Å
436F35.8Very low39.7Very low205 Ų205133.6 Ų133.690%0.89980%0.801SS**  trans-75.286.6167.7-83.7-90.4000110.2G434 L438G434-F436 PolarHBondContact O-N 2.94Å; F436-L438 PolarHBondContact O-N 3.22Å
437L45.9Very low40.2Very low154 Ų154135.6 Ų135.681%0.80680%0.799SS**  trans-77.7115.3163-68.7176.4000109.2S435S435-L437 PolarHBondContact O-N 3.05Å
438L45.8Very low40.9Very low158 Ų158135.3 Ų135.383%0.82779%0.791SS**PPolyproline II helixtrans-63.5134.9167.6-68.7169.9000109.4F436F436-L438 PolarHBondContact O-N 3.22Å
439P48.8Very low41.4Very low110 Ų110137.4 Ų137.471%0.71479%0.792SS**PPolyproline II helixtrans-67145.7173.828.8-34.1000110.3
440P47.3Very low42Very low114 Ų114136.2 Ų136.274%0.7479%0.79SS**PPolyproline II helixtrans-65.8148175.628.8-34.8000110.9
441P45.3Very low42.2Very low116 Ų116136.9 Ų136.975%0.75379%0.792SS**PPolyproline II helixtrans-64.1145.4177.527.3-34.6000111.2
442P50.2Low42.7Very low112 Ų112135.3 Ų135.373%0.72779%0.79SS**PPolyproline II helixtrans-65.7150-179.327.8-35000111.8V444P442-V444 PolarHBondContact O-N 3.21Å
443P46.7Very low43Very low128 Ų128132 Ų13283%0.83178%0.782SS**PPolyproline II helixtrans-67.7117.5-178.427.5-34.2000111.1A445P443-A445 PolarHBondContact O-N 2.96Å
444V47Very low43Very low142 Ų142133.8 Ų133.886%0.86179%0.785SS**PPolyproline II helixtrans-65118.9175.2-172.10000109.4P442 R446P442-V444 PolarHBondContact O-N 3.21Å; V444-R446 PolarHBondContact O-N 2.85Å
445A38.8Very low43.1Very low91 Ų91136.2 Ų136.275%0.75279%0.792SS**PPolyproline II helixtrans-62.9131.8-179.300000111.3P443P443-A445 PolarHBondContact O-N 2.96Å
446R45.2Very low43.2Very low230 Ų230140 Ų14087%0.86880%0.795SS**PPolyproline II helixtrans-75.9141.3170.2-74.9-178172.6172.8-1.5110V444 V448V444-R446 PolarHBondContact O-N 2.85Å; R446-V448 PolarHBondContact O-N 3.48Å
447P39.7Very low43.4Very low124 Ų124136.2 Ų136.281%0.80579%0.792SS**PPolyproline II helixtrans-56.8132.7168.4-24.334.4000111.4
448V45.8Very low42.6Very low125 Ų125135.9 Ų135.976%0.75879%0.791SS**PPolyproline II helixtrans-83.2127.3174.7177.50000108.9R446 L450R446-V448 PolarHBondContact O-N 3.48Å; V448-L450 PolarHBondContact O-N 3.24Å
449P40.9Very low42.1Very low117 Ų117133.6 Ų133.676%0.7679%0.788SS**PPolyproline II helixtrans-66.5128.5170.9-18.231.9000110.7
450L46.8Very low41.7Very low157 Ų157134 Ų13482%0.82279%0.788SS**PPolyproline II helixtrans-72.2145.7170.6-66.7173.5000110.5V448V448-L450 PolarHBondContact O-N 3.24Å
451P38.2Very low41.5Very low123 Ų123134.2 Ų134.280%0.79979%0.789SS**PPolyproline II helixtrans-72.2131.3176.829.7-33.8000111.1
452M44.6Very low41.6Very low171 Ų171134 Ų13484%0.84279%0.788SS**PPolyproline II helixtrans-88.5141.2164.9-72.9-68.5-68.400109.4
453P41Very low40.9Very low111 Ų111136.5 Ų136.572%0.72180%0.795SS**PPolyproline II helixtrans-70.8143.7179.129-34.4000112.2
454D37.2Very low40.2Very low153 Ų153134.1 Ų134.182%0.81879%0.794SS**PPolyproline II helixtrans-63.1154.2174.3-104.6-64.6000112.6
455S35Very low39.4Very low113 Ų113131.2 Ų131.279%0.7979%0.793SS**  trans-148.381.5172.8-74.90000111.4
456K40.6Very low39.2Very low186 Ų186135 Ų13581%0.80980%0.8SS**  trans-98.2122162.4-76-178.4178.8174.90109.9
457P40.5Very low38.7Very low126 Ų126129.7 Ų129.782%0.81880%0.798SS**  trans-77.7120.3151.331.1-28.1000108.7
458N30Very low38.5Very low147 Ų147129.3 Ų129.379%0.78680%0.798SS**  trans-117.4121165.2179.469.8000108
459S34.8Very low38.9Very low110 Ų110129.4 Ų129.477%0.76980%0.801SS**  trans-148.4108.6-176.457.50000111.6
460T39.5Very low38.6Very low118 Ų118128.7 Ų128.772%0.72481%0.805SS**  trans-127.4137.7162.2-19.60000106.8
461P43.2Very low38.1Very low118 Ų118126.8 Ų126.877%0.76681%0.805SS**  -125.9166.7117.71.519.8000112.1
462P47.3Very low38.6Very low111 Ų111126.8 Ų126.872%0.72181%0.805SS**  trans-92.5164.1-179.738.2-35.1000112.7
463D36.3Very low38Very low165 Ų165124.1 Ų124.188%0.88280%0.804SS**  -170.6149.1122.1-114.4-32.1000113.9
464G32.2Very low37.7Very low78 Ų78127 Ų12780%0.80480%0.801SS**  trans62.6151.1153.800000121.7
465G30.7Very low37.5Very low82 Ų82125.5 Ų125.585%0.84580%0.803SS**  trans121.983.1154.600000117.6
466L34.3Very low37.5Very low170 Ų170126.2 Ų126.289%0.8980%0.802SS**  trans-53.2157.7170.8-61.9160.8000115.2
467S33.7Very low37.8Very low119 Ų119123.8 Ų123.883%0.83281%0.806SS**  trans109.5117.2149-43.80000118.5
468S35.2Very low37.3Very low116 Ų116121.6 Ų121.681%0.81181%0.806SS**  trans-110.6176.4159.9-72.40000108.8
469P54.9Low37.6Very low126 Ų126119.3 Ų119.382%0.81881%0.808SS**  cis-130.4168.7-33.434.3-18.7000112.8
470A34.1Very low37.5Very low102 Ų102121.3 Ų121.384%0.84382%0.816SS**  trans-154.5135.7156.100000114
471S37Very low37.3Very low118 Ų118119.9 Ų119.983%0.82582%0.816SS**  trans-134.6148.4155.3-58.40000105.2
472P48.8Very low37.8Very low122 Ų122119.7 Ų119.779%0.79281%0.814SS**  -138.8-160.765.637.9-15.8000111
473S31.4Very low37Very low116 Ų116120.6 Ų120.681%0.81181%0.813SS**  cis-164.7171.730.8-127.90000113.8
474Y35.7Very low37Very low171 Ų171122.9 Ų122.967%0.67181%0.81SS**  trans-71.5153.9175.2-93.6-100000113.9M1M1-Y474 HydrophobicContact CE-CD1 3.5Å; M1-Y474 VanDerWaalsContact CE-CD1 3.5Å; M1-Y474 HydrophobicContact CE-CD2 3.92Å; M1-Y474 HydrophobicContact CE-CE1 3.46Å; M1-Y474 VanDerWaalsContact CE-CE1 3.46Å; M1-Y474 HydrophobicContact CE-CE2 3.89Å; M1-Y474 HydrophobicContact CE-CG 3.73Å; M1-Y474 HydrophobicContact CG-CE2 3.89Å; M1-Y474 HydrophobicContact SD-CE1 4.06Å; M1-Y474 HydrophobicContact SD-CE2 4.3Å
475S31.6Very low36.9Very low122 Ų122128.8 Ų128.885%0.85381%0.813SS**  -173.3135.6123.6-82.60000114.9
476T35.7Very low37.2Very low127 Ų127131.9 Ų131.978%0.77982%0.816SS**  trans-116.6144154.248.40000106.2
477P46.8Very low37Very low135 Ų135127 Ų12788%0.87781%0.807SS**  -153.1-178.573.541.5-22.3000115.7
478G29.8Very low37Very low81 Ų81130 Ų13084%0.83581%0.811SS**  trans158.7127.3164.900000112.5
479A35.4Very low36.7Very low99 Ų99127.9 Ų127.982%0.81881%0.808SS**  trans-134.8140.7178.600000111.3
480T33.9Very low35.8Very low152 Ų152127.3 Ų127.393%0.93381%0.807SS**  trans-162.8158.3161.211.20000110.7
481A35.4Very low35.9Very low88 Ų88132.6 Ų132.673%0.72781%0.805SS**  trans-148.3-167.1176.100000107.6
482P52.8Low35.8Very low113 Ų113132 Ų13273%0.73479%0.792SS**  cis-121-156.4-33.438.3-22.3000110.7
483N31.7Very low35Very low130 Ų130133.2 Ų133.270%0.69579%0.792SS**  trans119.9145.1171.8-74.1-72.1000111.6
484R36.2Very low35Very low214 Ų214134.3 Ų134.381%0.80879%0.789SS**  cis-148.3140.4-12.2-97154.7-170.1-173.4-3.4105.9
485F30.5Very low34.7Very low202 Ų202134.9 Ų134.989%0.88680%0.795SS**  68.4148.377.3-124.3-82.7000115.9
486V35.4Very low34.6Very low147 Ų147136.2 Ų136.289%0.89179%0.792SS**  trans87.9132.9-168.7-173.80000113.2
487G29.8Very low34.3Very low68 Ų68137 Ų13770%0.70179%0.792SS**  cis-175.6159.4-4.600000112.3
488I35.6Very low33.7Very low180 Ų180137.2 Ų137.292%0.92378%0.784SS**  trans-94.9145.7-173.2-65.9168.7000111.7
489G29Very low34.2Very low72 Ų72139.1 Ų139.174%0.74278%0.782SS**  trans-150.4146.7165.500000111.6
490S35.7Very low34Very low114 Ų114142.1 Ų142.180%0.79778%0.779SS**  trans-150.3153.2-178.8179.10000109.7
491R35.3Very low33.7Very low214 Ų214143.2 Ų143.281%0.80877%0.773SS**  trans172.4133.5143-94.2176.384169.88.5114.7
492D36.2Very low33.6Very low104 Ų104144.5 Ų144.556%0.55677%0.772SS**  trans54.9117.3134.6-44-17.4000124.1
493N31.2Very low32.5Very low149 Ų149146.9 Ų146.980%0.79777%0.774SS**  trans43.1128.4131-57.2-19.6000121.4
494N30.5Very low32.4Very low138 Ų138145.4 Ų145.474%0.73877%0.773SS**  -170.1148.375.4-119.47000115.8
495F30.1Very low32.3Very low183 Ų183146.7 Ų146.780%0.80378%0.778SS**  trans16.3127.5148.2-75.3-106.8000122.8
496L30.6Very low32.3Very low151 Ų151146.7 Ų146.779%0.79178%0.778SS**  -179.8132.3100-105.7164.7000116.8
497N28.7Very low32.3Very low144 Ų144151.3 Ų151.377%0.7780%0.797SS**  trans72.7152.5145.7-119.4-34000124.5
498I34.2Very low32.4Very low138 Ų138155.5 Ų155.571%0.70880%0.802SS**  trans-146132.7-172.4-74.3168.1000108.6Q500I498-Q500 HydrophobicContact CG2-CB 4.15Å
499P41.1Very low32.3Very low122 Ų122154.2 Ų154.279%0.79280%0.795SS**  -134.4130.7109.712.88.7000110.8
500Q31.1Very low32.4Very low161 Ų161158.8 Ų158.875%0.75280%0.798SS**  50.7100.463.3-162.9-177.926.900113.8I498I498-Q500 HydrophobicContact CG2-CB 4.15Å
501Q27.9Very low32.3Very low175 Ų175161.4 Ų161.482%0.81880%0.798SS**  trans-139.5107.8153.9-156.8-179.967.500110.4
502T31.6Very low32.1Very low116 Ų116158.1 Ų158.171%0.71280%0.798SS**  trans-88.9134.1164.6450000108.9
503Q30Very low31.8Very low163 Ų163161.7 Ų161.776%0.76281%0.814SS**  trans-130.6127.5155-72.5-157.617.200110.7
504S29.7Very low31.8Very low98 Ų98162.6 Ų162.669%0.68582%0.815SS**  trans-126.4130.3169.553.40000106.8
505W34.9Very low31.9Very low242 Ų242164.5 Ų164.592%0.91782%0.821SS**  trans-144.3138.5160.1-84.2111.1000109.9
506F29.8Very low32.1Very low202 Ų202163 Ų16389%0.88682%0.822SS**  trans-82.7149.4163.6-83.7-106.6000109.4
507L35.6Very low32.2Very low244 Ų244164.1 Ų164.1100%1.27783%0.825SS**  trans-151.90139.4-105.4168.8000108

Retrieved 507 of 507 residues in 367.2 ms (Link to these results)

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