A0A090K6G0_HUMAN Loading...

MHC class II antigen

AlphaFold DB (A0A1X9I6I7), UniProt , Accession A0A090K6G0, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB3, Length 89 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
1R83.3Confident95.6Very high283 Ų28395 Ų95100%1.06845%0.445SS*.  0129.20176.6178.8176.7-178.4-0.2107.1
2F91.4Very high95.6Very high131 Ų13193 Ų9358%0.57543%0.434SS*.  trans-83.6142.3176.9170.3-88.1000110.6E4 H27 N28F2-E4 HydrophobicContact CD1-CG 4.45Å; F2-E4 HydrophobicContact CE1-CB 4.33Å; F2-E4 HydrophobicContact CE1-CG 3.37Å; F2-E4 HydrophobicContact CE2-CG 4.23Å; F2-E4 HydrophobicContact CZ-CG 3.23Å; F2-E4 VanDerWaalsContact CZ-OE1 3.24Å; F2-E4 WeakPolarHBondContact CZ-OE1 3.07Å; F2-H27 AromaticContact CD2-CE1 3.62Å; F2-H27 AromaticContact CE2-CE1 3.2Å; F2-H27 WeakPolarHBondContact CE2-CE1 3.3Å; F2-H27 AromaticContact CE2-ND1 3.43Å; F2-H27 WeakPolarHBondContact CE2-ND1 3.38Å; F2-N28 WeakPolarHBondContact CA-OD1 3.5Å
3L96.1Very high95.5Very high85 Ų8591.8 Ų91.845%0.44543%0.427SS..  trans-139.9127.2176.6179.469.4000110.4N28L3-N28 PolarHBondContact N-OD1 2.85Å; L3-N28 PolarHBondContact O-N 3.01Å
4E96.2Very high95.1Very high81 Ų8195.2 Ų95.238%0.37945%0.45SS..EExtended strand (participates in β ladder)trans-111.4136.9167.2-72.3-7015900109.1F2 F26 H27F2-E4 HydrophobicContact CD1-CG 4.45Å; F2-E4 HydrophobicContact CE1-CB 4.33Å; F2-E4 HydrophobicContact CE1-CG 3.37Å; F2-E4 HydrophobicContact CE2-CG 4.23Å; F2-E4 HydrophobicContact CZ-CG 3.23Å; F2-E4 VanDerWaalsContact CZ-OE1 3.24Å; F2-E4 WeakPolarHBondContact CZ-OE1 3.07Å; E4-F26 WeakPolarHBondContact CA-O 3.18Å; E4-F26 VanDerWaalsContact OE2-O 3.11Å; E4-H27 IonicContact OE1-CE1 3.88Å; E4-H27 IonicContact OE1-CG 2.95Å; E4-H27 IonicContact OE1-ND1 3.9Å; E4-H27 PolarHBondContact OE1-ND1 3.37Å
5L97.8Very high94.6Very high80 Ų8091.2 Ų91.242%0.41944%0.444SS..EExtended strand (participates in β ladder)trans-138134.4177.6179.569.2000110.7K7 F26L5-K7 HydrophobicContact CD2-CD 4.39Å; L5-K7 HydrophobicContact CD2-CG 4.09Å; L5-K7 HydrophobicContact CG-CG 4.23Å; L5-F26 HydrophobicContact CB-CB 4.22Å; L5-F26 HydrophobicContact CD2-CD2 4.47Å; L5-F26 PolarHBondContact N-O 2.6Å; L5-F26 PolarHBondContact O-N 3.48Å
6L97.5Very high94.6Very high92 Ų9289.2 Ų89.248%0.48244%0.438SS..EExtended strand (participates in β ladder)trans-106.7131.3167.718070.7000108.8E23 R24 H25L6-E23 HydrophobicContact CD1-CG 3.58Å; L6-R24 WeakPolarHBondContact CA-O 3.43Å; L6-H25 WeakPolarHBondContact CD1-CE1 3.43Å
7K98.1Very high94.5Very high92 Ų9292.7 Ų92.740%0.445%0.454SS..EExtended strand (participates in β ladder)trans-119.9124.8169-68.8-171.1174.7-176.30110.5L5 E9 E23 R24 F26L5-K7 HydrophobicContact CD2-CD 4.39Å; L5-K7 HydrophobicContact CD2-CG 4.09Å; L5-K7 HydrophobicContact CG-CG 4.23Å; K7-E9 HydrophobicContact CB-CG 4.1Å; K7-E23 CarbonylContact O-C 3.56Å; K7-E23 WeakPolarHBondContact O-CA 3.4Å; K7-R24 HydrophobicContact CB-CB 4.46Å; K7-R24 PolarHBondContact N-O 3.29Å; K7-R24 PolarHBondContact O-N 3.03Å; K7-F26 HydrophobicContact CB-CE2 4.22Å; K7-F26 HydrophobicContact CD-CE2 3.92Å; K7-F26 HydrophobicContact CD-CZ 4.36Å; K7-F26 HydrophobicContact CG-CE2 4Å
8S97.9Very high94.6Very high52 Ų5295.8 Ų95.836%0.36446%0.459SS..EExtended strand (participates in β ladder)trans-103.6104.5167.5-57.90000108L22S8-L22 CarbonylContact C-O 3.59Å; S8-L22 WeakPolarHBondContact CA-O 3.43Å
9E98.3Very high94.7Very high42 Ų4291.2 Ų91.220%0.19644%0.438CS..EExtended strand (participates in β ladder)trans-110.1143.7-174.5-54.8177.2-15600110.5K7 H11 L22 R24K7-E9 HydrophobicContact CB-CG 4.1Å; E9-H11 IonicContact OE2-CE1 3.89Å; E9-H11 IonicContact OE2-NE2 3.01Å; E9-H11 PolarHBondContact OE2-NE2 3.32Å; E9-L22 HydrophobicContact CB-CB 4.28Å; E9-L22 PolarHBondContact N-O 2.87Å; E9-L22 PolarHBondContact O-N 3.5Å; E9-R24 WeakPolarHBondContact OE1-CD 3.31Å; E9-R24 IonicContact OE1-CZ 2.7Å; E9-R24 IonicContact OE1-NH1 3.23Å; E9-R24 PolarHBondContact OE1-NH1 3.17Å; E9-R24 IonicContact OE2-NH1 3.8Å
10C98.1Very high94.9Very high35 Ų3590.1 Ų90.124%0.23643%0.429CS..EExtended strand (participates in β ladder)trans-123.3119.9173.9-64.20000109.1F12 R20 Y73 C74C10-F12 HydrophobicContact CB-CD2 4.26Å; C10-F12 HydrophobicContact CB-CE2 3.37Å; C10-F12 HydrophobicContact CB-CZ 3.55Å; C10-F12 WeakPolarHBondContact O-CD2 3.42Å; C10-R20 WeakPolarHBondContact CA-O 3.44Å; C10-Y73 VanDerWaalsContact SG-CD1 3.55Å; C10-C74 HydrophobicContact CB-CB 3.61Å; C10-C74 WeakPolarHBondContact CB-SG 3.41Å; C10-C74 WeakPolarHBondContact SG-CA 3.18Å; C10-C74 WeakPolarHBondContact SG-CB 3.38Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.35Å
11H97.3Very high95.1Very high72 Ų7285.9 Ų85.933%0.33341%0.409SS..EExtended strand (participates in β ladder)trans-107.5115-179.1-70-137.8000108.2E9 F13 V19 R20E9-H11 IonicContact OE2-CE1 3.89Å; E9-H11 IonicContact OE2-NE2 3.01Å; E9-H11 PolarHBondContact OE2-NE2 3.32Å; H11-F13 HydrophobicContact CB-CE2 4.23Å; H11-V19 WeakPolarHBondContact O-CA 3.12Å; H11-R20 HydrophobicContact CB-CB 4.3Å; H11-R20 PolarHBondContact N-O 3.3Å; H11-R20 PolarHBondContact O-N 2.72Å
12F95.3Very high95.8Very high71 Ų7172.8 Ų72.831%0.31136%0.36SS..EExtended strand (participates in β ladder)trans-105.4133-173.3-62.4-86.2000110.4C10 G15 T16 V19 C74 Y78C10-F12 HydrophobicContact CB-CD2 4.26Å; C10-F12 HydrophobicContact CB-CE2 3.37Å; C10-F12 HydrophobicContact CB-CZ 3.55Å; C10-F12 WeakPolarHBondContact O-CD2 3.42Å; F12-G15 WeakPolarHBondContact CB-O 3.42Å; F12-T16 HydrophobicContact CD1-CG2 4.37Å; F12-V19 HydrophobicContact CD1-CB 4.44Å; F12-V19 HydrophobicContact CD1-CG1 3.98Å; F12-V19 HydrophobicContact CD1-CG2 3.69Å; F12-V19 HydrophobicContact CE1-CG1 3.79Å; F12-V19 HydrophobicContact CE1-CG2 4.02Å; F12-V19 HydrophobicContact CZ-CG1 4.47Å; F12-C74 HydrophobicContact CE1-CB 4.17Å; F12-C74 HydrophobicContact CZ-CB 3.96Å; F12-C74 WeakPolarHBondContact CZ-O 3.26Å; F12-Y78 AromaticContact CD1-CD2 3.77Å; F12-Y78 HydrophobicContact CD1-CD2 3.77Å; F12-Y78 HydrophobicContact CD1-CE2 4.37Å; F12-Y78 HydrophobicContact CD1-CG 4.21Å; F12-Y78 HydrophobicContact CD2-CD2 4.1Å; F12-Y78 AromaticContact CE1-CD2 3.71Å; F12-Y78 HydrophobicContact CE1-CD2 3.71Å; F12-Y78 AromaticContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE2-CD2 4.02Å; F12-Y78 AromaticContact CG-CD2 3.99Å; F12-Y78 HydrophobicContact CG-CD2 3.99Å; F12-Y78 HydrophobicContact CG-CE2 4.33Å; F12-Y78 AromaticContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CG 4.18Å
13F93.9Very high96.2Very high78 Ų7867 Ų6734%0.34234%0.335SS..EExtended strand (participates in β ladder)trans-125.6129.5175.8-54.3-90.5000109.1H11 R18H11-F13 HydrophobicContact CB-CE2 4.23Å; F13-R18 HydrophobicContact CB-CB 4.26Å; F13-R18 HydrophobicContact CD2-CB 4.47Å; F13-R18 HydrophobicContact CD2-CG 4.46Å; F13-R18 PolarHBondContact N-O 3.19Å; F13-R18 PolarHBondContact O-N 2.89Å
14N90.9Very high96.3Very high139 Ų13965.5 Ų65.574%0.74332%0.323SS*.THydrogen-bonded Turntrans50.257.7-176.2-59.3-18.1000112T16 E17N14-T16 PolarHBondContact O-N 2.77Å; N14-E17 HydrophobicContact CB-CB 4.42Å
15G87.8Confident96.4Very high35 Ų3562.7 Ų62.736%0.36131%0.31SS..THydrogen-bonded Turntrans69.6-124.7-171.300000111F12F12-G15 WeakPolarHBondContact CB-O 3.42Å
16T93.4Very high96.4Very high59 Ų5960 Ų6036%0.36230%0.295SS..THydrogen-bonded Turntrans-105.89.6-178.556.30000113.9F12 N14 R75 Y78F12-T16 HydrophobicContact CD1-CG2 4.37Å; N14-T16 PolarHBondContact O-N 2.77Å; T16-R75 HydrophobicContact CG2-CG 4.5Å; T16-R75 PolarHBondContact O-NE 3.14Å; T16-R75 VanDerWaalsContact O-NE 3.12Å; T16-Y78 HydrophobicContact CG2-CD1 3.3Å; T16-Y78 HydrophobicContact CG2-CE1 3.7Å; T16-Y78 HydrophobicContact CG2-CG 3.79Å
17E92.6Very high96.4Very high149 Ų14958.1 Ų58.170%0.69628%0.284SS*.THydrogen-bonded Turntrans-57.6-53.6178.9-174.1-176.6-175.900110.5N14N14-E17 HydrophobicContact CB-CB 4.42Å
18R96.6Very high96.3Very high148 Ų14856.9 Ų56.956%0.55828%0.281SS*.EExtended strand (participates in β ladder)trans-120.8124.6172-167.8-177.778.2-174.34.6110.2F13F13-R18 HydrophobicContact CB-CB 4.26Å; F13-R18 HydrophobicContact CD2-CB 4.47Å; F13-R18 HydrophobicContact CD2-CG 4.46Å; F13-R18 PolarHBondContact N-O 3.19Å; F13-R18 PolarHBondContact O-N 2.89Å
19V97.9Very high96.1Very high8 Ų862.4 Ų62.45%0.04830%0.302CS..EExtended strand (participates in β ladder)trans-129.7132.5-178.5-176.10000108.8H11 F12 V70 C74 R75H11-V19 WeakPolarHBondContact O-CA 3.12Å; F12-V19 HydrophobicContact CD1-CB 4.44Å; F12-V19 HydrophobicContact CD1-CG1 3.98Å; F12-V19 HydrophobicContact CD1-CG2 3.69Å; F12-V19 HydrophobicContact CE1-CG1 3.79Å; F12-V19 HydrophobicContact CE1-CG2 4.02Å; F12-V19 HydrophobicContact CZ-CG1 4.47Å; V19-V70 HydrophobicContact CB-CG1 3.75Å; V19-V70 HydrophobicContact CG1-CG1 3.93Å; V19-V70 WeakPolarHBondContact O-CG1 3.49Å; V19-C74 HydrophobicContact CG1-CB 3.47Å; V19-C74 VanDerWaalsContact CG1-CB 3.47Å; V19-R75 HydrophobicContact CG2-CG 3.93Å
20R98.3Very high96Very high70 Ų7066.1 Ų66.126%0.26432%0.319SS..EExtended strand (participates in β ladder)trans-117.8127.2175-179.8-176.3-178.5-171.70.5109.7C10 H11 L22 D36 S37 D38C10-R20 WeakPolarHBondContact CA-O 3.44Å; H11-R20 HydrophobicContact CB-CB 4.3Å; H11-R20 PolarHBondContact N-O 3.3Å; H11-R20 PolarHBondContact O-N 2.72Å; R20-L22 HydrophobicContact CG-CG 4.42Å; R20-D36 IonicContact CZ-OD1 3.4Å; R20-D36 IonicContact CZ-OD2 3.87Å; R20-D36 IonicContact NE-OD1 3.63Å; R20-D36 PolarHBondContact NE-OD1 3.26Å; R20-D36 IonicContact NE-OD2 3.51Å; R20-D36 PolarHBondContact NE-OD2 2.91Å; R20-D36 IonicContact NH2-OD1 2.62Å; R20-D36 IonicContact NH2-OD2 3.65Å; R20-D36 PolarHBondContact NH2-OD2 3.42Å; R20-S37 WeakPolarHBondContact CA-OG 2.87Å; R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.35Å; R20-D38 IonicContact NE-OD2 3.65Å
21F98.6Very high96Very high1 Ų165.7 Ų65.70%0.00431%0.313CS..EExtended strand (participates in β ladder)trans-99.3131.5174.2173.1-104.9000109.9E23 F35 S37 K66 Q69 V70 Y73F21-E23 HydrophobicContact CE1-CB 4.04Å; F21-E23 HydrophobicContact CZ-CB 4.05Å; F21-F35 AromaticContact CD1-CD1 3.92Å; F21-F35 HydrophobicContact CD1-CD1 3.92Å; F21-F35 HydrophobicContact CD1-CE1 4.08Å; F21-F35 HydrophobicContact CE1-CD1 4.06Å; F21-F35 HydrophobicContact CE1-CE1 4.48Å; F21-S37 PolarHBondContact N-OG 3.34Å; F21-S37 PolarHBondContact O-N 3.16Å; F21-S37 PolarHBondContact O-OG 3.12Å; F21-K66 HydrophobicContact CE1-CD 4.46Å; F21-Q69 HydrophobicContact CB-CB 4.47Å; F21-Q69 HydrophobicContact CD1-CB 3.58Å; F21-Q69 HydrophobicContact CD1-CG 4.23Å; F21-Q69 HydrophobicContact CD2-CB 3.9Å; F21-Q69 HydrophobicContact CE1-CB 3.65Å; F21-Q69 HydrophobicContact CE1-CG 3.81Å; F21-Q69 HydrophobicContact CE2-CB 3.95Å; F21-Q69 HydrophobicContact CE2-CG 4.41Å; F21-Q69 HydrophobicContact CG-CB 3.71Å; F21-Q69 HydrophobicContact CZ-CB 3.83Å; F21-Q69 HydrophobicContact CZ-CG 3.9Å; F21-V70 HydrophobicContact CB-CG2 4.07Å; F21-Y73 HydrophobicContact CD2-CD1 4.28Å; F21-Y73 HydrophobicContact CE2-CD1 4.06Å; F21-Y73 HydrophobicContact CE2-CE1 4.44Å
22L98.6Very high96.1Very high8 Ų863.6 Ų63.64%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-125.1126.2175.1-66.8165.9000109.3S8 E9 R20 R24 R34 F35 D36S8-L22 CarbonylContact C-O 3.59Å; S8-L22 WeakPolarHBondContact CA-O 3.43Å; E9-L22 HydrophobicContact CB-CB 4.28Å; E9-L22 PolarHBondContact N-O 2.87Å; E9-L22 PolarHBondContact O-N 3.5Å; R20-L22 HydrophobicContact CG-CG 4.42Å; L22-R24 HydrophobicContact CB-CG 4.26Å; L22-R34 HydrophobicContact CD2-CG 4.39Å; L22-F35 WeakPolarHBondContact CA-O 3.18Å; L22-D36 HydrophobicContact CD2-CB 3.83Å
23E98.6Very high96.2Very high10 Ų1060.2 Ų60.25%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-108.7121.1164.3-173.4177.7101.400108.4L6 K7 F21 H25 R34 F35 Y42 K66L6-E23 HydrophobicContact CD1-CG 3.58Å; K7-E23 CarbonylContact O-C 3.56Å; K7-E23 WeakPolarHBondContact O-CA 3.4Å; F21-E23 HydrophobicContact CE1-CB 4.04Å; F21-E23 HydrophobicContact CZ-CB 4.05Å; E23-H25 IonicContact OE1-CE1 3.23Å; E23-H25 IonicContact OE1-NE2 3.92Å; E23-H25 PolarHBondContact OE1-NE2 2.82Å; E23-R34 CarbonylContact O-C 3.46Å; E23-R34 WeakPolarHBondContact O-CA 3.17Å; E23-F35 HydrophobicContact CB-CB 4.13Å; E23-F35 PolarHBondContact N-O 2.94Å; E23-F35 PolarHBondContact O-N 3.41Å; E23-Y42 WeakPolarHBondContact OE1-CE1 3.41Å; E23-Y42 PolarHBondContact OE1-OH 2.97Å; E23-K66 IonicContact OE1-NZ 2.95Å; E23-K66 WeakPolarHBondContact OE2-CE 3.5Å; E23-K66 IonicContact OE2-NZ 3.35Å; E23-K66 PolarHBondContact OE2-NZ 3.41Å
24R98.6Very high96.5Very high53 Ų5360 Ų6020%0.229%0.285CS..EExtended strand (participates in β ladder)trans-126.4129.9-171.7-59.3173.769.9-161.62.8110.2L6 K7 E9 L22 F26 E31 R34L6-R24 WeakPolarHBondContact CA-O 3.43Å; K7-R24 HydrophobicContact CB-CB 4.46Å; K7-R24 PolarHBondContact N-O 3.29Å; K7-R24 PolarHBondContact O-N 3.03Å; E9-R24 WeakPolarHBondContact OE1-CD 3.31Å; E9-R24 IonicContact OE1-CZ 2.7Å; E9-R24 IonicContact OE1-NH1 3.23Å; E9-R24 PolarHBondContact OE1-NH1 3.17Å; E9-R24 IonicContact OE2-NH1 3.8Å; L22-R24 HydrophobicContact CB-CG 4.26Å; R24-F26 HydrophobicContact CB-CD2 4.39Å; R24-F26 HydrophobicContact CB-CE2 3.52Å; R24-F26 HydrophobicContact CB-CZ 3.96Å; R24-E31 WeakPolarHBondContact CG-OE1 3.32Å; R24-E31 IonicContact CZ-OE1 2.79Å; R24-E31 IonicContact CZ-OE2 3.77Å; R24-E31 VanDerWaalsContact NE-CD 3.29Å; R24-E31 IonicContact NE-OE1 2.91Å; R24-E31 PolarHBondContact NE-OE1 2.99Å; R24-E31 IonicContact NE-OE2 3.48Å; R24-E31 PolarHBondContact NE-OE2 3.02Å; R24-E31 IonicContact NH2-OE1 3.23Å; R24-E31 IonicContact NH2-OE2 2.68Å; R24-E31 PolarHBondContact NH2-OE2 3.47Å; R24-R34 HydrophobicContact CG-CB 4.44Å; R24-R34 HydrophobicContact CG-CG 4.1Å
25H98.4Very high96.8Very high22 Ų2253.4 Ų53.410%0.10225%0.25CC..EExtended strand (participates in β ladder)trans-111.3127.1-177.4-63.3-102.7000109.7L6 E23 E31 Y32 A33 Y42 W56L6-H25 WeakPolarHBondContact CD1-CE1 3.43Å; E23-H25 IonicContact OE1-CE1 3.23Å; E23-H25 IonicContact OE1-NE2 3.92Å; E23-H25 PolarHBondContact OE1-NE2 2.82Å; H25-E31 CarbonylContact O-C 3.51Å; H25-E31 VanDerWaalsContact O-CA 3.31Å; H25-E31 WeakPolarHBondContact O-CA 3.4Å; H25-Y32 HydrophobicContact CB-CD1 4.25Å; H25-Y32 HydrophobicContact CB-CD2 4.42Å; H25-Y32 HydrophobicContact CB-CE1 3.68Å; H25-Y32 HydrophobicContact CB-CE2 3.86Å; H25-Y32 VanDerWaalsContact CB-CZ 3.47Å; H25-Y32 WeakPolarHBondContact O-CD1 3.02Å; H25-Y32 PolarHBondContact O-N 3.01Å; H25-A33 PolarHBondContact N-O 3.27Å; H25-Y42 AromaticContact NE2-CE1 3.94Å; H25-W56 AromaticContact CD2-CH2 3.84Å; H25-W56 AromaticContact CD2-CZ3 3.83Å; H25-W56 AromaticContact CE1-CH2 3.49Å; H25-W56 VanDerWaalsContact CE1-CH2 3.49Å; H25-W56 WeakPolarHBondContact CE1-CH2 3.48Å; H25-W56 AromaticContact CG-CH2 3.82Å; H25-W56 AromaticContact ND1-CH2 3.64Å; H25-W56 AromaticContact NE2-CH2 3.65Å; H25-W56 AromaticContact NE2-CZ3 3.78Å
26F98.3Very high97.4Very high24 Ų2452.5 Ų52.511%0.10524%0.237CC..EExtended strand (participates in β ladder)trans-124.7131.6-175-58.5-101.3000111.8E4 L5 K7 R24 E30 E31E4-F26 WeakPolarHBondContact CA-O 3.18Å; E4-F26 VanDerWaalsContact OE2-O 3.11Å; L5-F26 HydrophobicContact CB-CB 4.22Å; L5-F26 HydrophobicContact CD2-CD2 4.47Å; L5-F26 PolarHBondContact N-O 2.6Å; L5-F26 PolarHBondContact O-N 3.48Å; K7-F26 HydrophobicContact CB-CE2 4.22Å; K7-F26 HydrophobicContact CD-CE2 3.92Å; K7-F26 HydrophobicContact CD-CZ 4.36Å; K7-F26 HydrophobicContact CG-CE2 4Å; R24-F26 HydrophobicContact CB-CD2 4.39Å; R24-F26 HydrophobicContact CB-CE2 3.52Å; R24-F26 HydrophobicContact CB-CZ 3.96Å; F26-E30 CarbonylContact C-O 3.56Å; F26-E30 VanDerWaalsContact CA-O 3.22Å; F26-E30 WeakPolarHBondContact CA-O 3.38Å; F26-E31 HydrophobicContact CD1-CB 3.77Å; F26-E31 HydrophobicContact CE1-CB 3.66Å; F26-E31 HydrophobicContact CE1-CG 4.24Å; F26-E31 HydrophobicContact CZ-CB 4.33Å; F26-E31 HydrophobicContact CZ-CG 4.44Å
27H96.8Very high97.6Very high52 Ų5251 Ų5124%0.24123%0.228CC..EExtended strand (participates in β ladder)trans-113.2118.1171.7177.593.9000108.4F2 E4 Q29 E30 Y32 L48F2-H27 AromaticContact CD2-CE1 3.62Å; F2-H27 AromaticContact CE2-CE1 3.2Å; F2-H27 WeakPolarHBondContact CE2-CE1 3.3Å; F2-H27 AromaticContact CE2-ND1 3.43Å; F2-H27 WeakPolarHBondContact CE2-ND1 3.38Å; E4-H27 IonicContact OE1-CE1 3.88Å; E4-H27 IonicContact OE1-CG 2.95Å; E4-H27 IonicContact OE1-ND1 3.9Å; E4-H27 PolarHBondContact OE1-ND1 3.37Å; H27-Q29 VanDerWaalsContact C-N 3.27Å; H27-Q29 PolarHBondContact O-N 2.91Å; H27-E30 PolarHBondContact N-O 2.95Å; H27-E30 WeakPolarHBondContact O-CB 3.45Å; H27-E30 PolarHBondContact O-N 3.12Å; H27-Y32 HydrophobicContact CB-CD1 3.7Å; H27-Y32 HydrophobicContact CB-CE1 4.02Å; H27-L48 HydrophobicContact CB-CD2 4.1Å
28N95.5Very high97.8Very high66 Ų6648.9 Ų48.935%0.35322%0.222SC..THydrogen-bonded Turntrans49.545-178.4-64.4-43.5000113.7F2 L3 E30F2-N28 WeakPolarHBondContact CA-OD1 3.5Å; L3-N28 PolarHBondContact N-OD1 2.85Å; L3-N28 PolarHBondContact O-N 3.01Å; N28-E30 PolarHBondContact O-N 3.47Å
29Q93.9Very high97.9Very high168 Ų16845.6 Ų45.679%0.78522%0.218SC*.THydrogen-bonded Turntrans74.7-4.1-177.7-47.71747.200115.4H27H27-Q29 VanDerWaalsContact C-N 3.27Å; H27-Q29 PolarHBondContact O-N 2.91Å
30E96.9Very high97.9Very high121 Ų12145.7 Ų45.757%0.56522%0.221SC*.EExtended strand (participates in β ladder)trans-94.6123.3174.9-59.1-168.9163.100110.7F26 H27 N28 Y32F26-E30 CarbonylContact C-O 3.56Å; F26-E30 VanDerWaalsContact CA-O 3.22Å; F26-E30 WeakPolarHBondContact CA-O 3.38Å; H27-E30 PolarHBondContact N-O 2.95Å; H27-E30 WeakPolarHBondContact O-CB 3.45Å; H27-E30 PolarHBondContact O-N 3.12Å; N28-E30 PolarHBondContact O-N 3.47Å; E30-Y32 PolarHBondContact O-N 3.45Å
31E98.4Very high97.9Very high25 Ų2545 Ų4512%0.11722%0.221CC..EExtended strand (participates in β ladder)trans-68.4121.3173.1-172.7177.3-174.300109.6R24 H25 F26 R34 V45 R46R24-E31 WeakPolarHBondContact CG-OE1 3.32Å; R24-E31 IonicContact CZ-OE1 2.79Å; R24-E31 IonicContact CZ-OE2 3.77Å; R24-E31 VanDerWaalsContact NE-CD 3.29Å; R24-E31 IonicContact NE-OE1 2.91Å; R24-E31 PolarHBondContact NE-OE1 2.99Å; R24-E31 IonicContact NE-OE2 3.48Å; R24-E31 PolarHBondContact NE-OE2 3.02Å; R24-E31 IonicContact NH2-OE1 3.23Å; R24-E31 IonicContact NH2-OE2 2.68Å; R24-E31 PolarHBondContact NH2-OE2 3.47Å; H25-E31 CarbonylContact O-C 3.51Å; H25-E31 VanDerWaalsContact O-CA 3.31Å; H25-E31 WeakPolarHBondContact O-CA 3.4Å; F26-E31 HydrophobicContact CD1-CB 3.77Å; F26-E31 HydrophobicContact CE1-CB 3.66Å; F26-E31 HydrophobicContact CE1-CG 4.24Å; F26-E31 HydrophobicContact CZ-CB 4.33Å; F26-E31 HydrophobicContact CZ-CG 4.44Å; E31-R34 WeakPolarHBondContact OE1-CB 3.36Å; E31-R34 WeakPolarHBondContact OE1-CD 3.36Å; E31-R34 IonicContact OE1-CZ 3.58Å; E31-R34 IonicContact OE1-NE 2.67Å; E31-R34 PolarHBondContact OE1-NE 3.38Å; E31-R34 IonicContact OE1-NH1 2.86Å; E31-R34 IonicContact OE1-NH2 3.72Å; E31-V45 HydrophobicContact CB-CG1 4.36Å; E31-V45 HydrophobicContact CG-CB 4.26Å; E31-V45 HydrophobicContact CG-CG1 4.36Å; E31-V45 HydrophobicContact CG-CG2 3.96Å; E31-V45 WeakPolarHBondContact O-CB 3.47Å; E31-V45 WeakPolarHBondContact O-CG1 3.43Å; E31-R46 WeakPolarHBondContact O-CG 2.99Å
32Y98.4Very high97.9Very high28 Ų2845.2 Ų45.211%0.1122%0.221CC..EExtended strand (participates in β ladder)trans-106.8-31.3-17966.6-95.8000113.3H25 H27 E30 V45 R46 D52 W56H25-Y32 HydrophobicContact CB-CD1 4.25Å; H25-Y32 HydrophobicContact CB-CD2 4.42Å; H25-Y32 HydrophobicContact CB-CE1 3.68Å; H25-Y32 HydrophobicContact CB-CE2 3.86Å; H25-Y32 VanDerWaalsContact CB-CZ 3.47Å; H25-Y32 WeakPolarHBondContact O-CD1 3.02Å; H25-Y32 PolarHBondContact O-N 3.01Å; H27-Y32 HydrophobicContact CB-CD1 3.7Å; H27-Y32 HydrophobicContact CB-CE1 4.02Å; E30-Y32 PolarHBondContact O-N 3.45Å; Y32-V45 PolarHBondContact O-N 3.07Å; Y32-R46 PolarHBondContact O-N 3.1Å; Y32-D52 WeakPolarHBondContact CE2-OD2 3.49Å; Y32-W56 HydrophobicContact CE2-CH2 4.44Å
33A98.6Very high97.9Very high0 Ų051.8 Ų51.80%025%0.246CC..EExtended strand (participates in β ladder)trans-147153.2177.400000111.7H25 R43 W56H25-A33 PolarHBondContact N-O 3.27Å; A33-R43 WeakPolarHBondContact CA-O 3.39Å; A33-W56 HydrophobicContact CB-CH2 4.43Å; A33-W56 HydrophobicContact CB-CZ3 3.74Å
34R98.7Very high97.9Very high74 Ų7453.2 Ų53.228%0.27926%0.259SS..EExtended strand (participates in β ladder)trans-150.8138.3-178.3164.6175.842.1-162.5-12.5112.5L22 E23 R24 E31 Y42 R43 V45L22-R34 HydrophobicContact CD2-CG 4.39Å; E23-R34 CarbonylContact O-C 3.46Å; E23-R34 WeakPolarHBondContact O-CA 3.17Å; R24-R34 HydrophobicContact CG-CB 4.44Å; R24-R34 HydrophobicContact CG-CG 4.1Å; E31-R34 WeakPolarHBondContact OE1-CB 3.36Å; E31-R34 WeakPolarHBondContact OE1-CD 3.36Å; E31-R34 IonicContact OE1-CZ 3.58Å; E31-R34 IonicContact OE1-NE 2.67Å; E31-R34 PolarHBondContact OE1-NE 3.38Å; E31-R34 IonicContact OE1-NH1 2.86Å; E31-R34 IonicContact OE1-NH2 3.72Å; R34-Y42 CarbonylContact O-C 3.5Å; R34-Y42 VanDerWaalsContact O-CA 3.3Å; R34-Y42 WeakPolarHBondContact O-CA 3.34Å; R34-R43 PolarHBondContact N-O 2.91Å; R34-R43 PolarHBondContact O-N 2.8Å; R34-V45 HydrophobicContact CB-CG2 4.17Å
35F98.8Very high97.9Very high0 Ų053 Ų530%026%0.263CS..EExtended strand (participates in β ladder)trans-94.8137.8158.1-178.8-88.6000109.7F21 L22 E23 G40 Y42 L63 K66 R67F21-F35 AromaticContact CD1-CD1 3.92Å; F21-F35 HydrophobicContact CD1-CD1 3.92Å; F21-F35 HydrophobicContact CD1-CE1 4.08Å; F21-F35 HydrophobicContact CE1-CD1 4.06Å; F21-F35 HydrophobicContact CE1-CE1 4.48Å; L22-F35 WeakPolarHBondContact CA-O 3.18Å; E23-F35 HydrophobicContact CB-CB 4.13Å; E23-F35 PolarHBondContact N-O 2.94Å; E23-F35 PolarHBondContact O-N 3.41Å; F35-G40 VanDerWaalsContact CE2-C 3.46Å; F35-Y42 HydrophobicContact CB-CD1 3.67Å; F35-Y42 HydrophobicContact CB-CD2 4.23Å; F35-Y42 HydrophobicContact CB-CE1 3.54Å; F35-Y42 HydrophobicContact CB-CE2 4.09Å; F35-Y42 HydrophobicContact CB-CG 4.03Å; F35-Y42 AromaticContact CD2-CD2 3.87Å; F35-Y42 HydrophobicContact CD2-CD2 3.87Å; F35-Y42 AromaticContact CD2-CE2 3.89Å; F35-Y42 HydrophobicContact CD2-CE2 3.89Å; F35-Y42 HydrophobicContact CD2-CG 4.32Å; F35-Y42 HydrophobicContact CG-CE2 4.35Å; F35-L63 HydrophobicContact CD2-CD2 4.34Å; F35-L63 HydrophobicContact CE2-CD2 4.05Å; F35-K66 HydrophobicContact CD1-CB 4.01Å; F35-K66 HydrophobicContact CD2-CB 3.89Å; F35-K66 HydrophobicContact CE1-CB 3.78Å; F35-K66 HydrophobicContact CE2-CB 3.64Å; F35-K66 HydrophobicContact CG-CB 4.07Å; F35-K66 HydrophobicContact CZ-CB 3.59Å; F35-R67 HydrophobicContact CE2-CG 4.46Å; F35-R67 HydrophobicContact CZ-CG 3.9Å
36D98.6Very high97.9Very high17 Ų1758.8 Ų58.89%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-130.6121.2177.4-175.3-8.4000109.1R20 L22 D38 V39 G40R20-D36 IonicContact CZ-OD1 3.4Å; R20-D36 IonicContact CZ-OD2 3.87Å; R20-D36 IonicContact NE-OD1 3.63Å; R20-D36 PolarHBondContact NE-OD1 3.26Å; R20-D36 IonicContact NE-OD2 3.51Å; R20-D36 PolarHBondContact NE-OD2 2.91Å; R20-D36 IonicContact NH2-OD1 2.62Å; R20-D36 IonicContact NH2-OD2 3.65Å; R20-D36 PolarHBondContact NH2-OD2 3.42Å; L22-D36 HydrophobicContact CD2-CB 3.83Å; D36-D38 PolarHBondContact O-N 2.62Å; D36-D38 PolarHBondContact OD1-N 2.86Å; D36-D38 VanDerWaalsContact OD1-N 3.14Å; D36-V39 HydrophobicContact CB-CB 4.22Å; D36-V39 HydrophobicContact CB-CG2 4.01Å; D36-V39 CarbonylContact O-C 3.58Å; D36-V39 PolarHBondContact O-N 3.44Å; D36-G40 PolarHBondContact O-N 3.23Å
37S98.3Very high97.8Very high26 Ų2663.6 Ų63.618%0.18231%0.307CS..THydrogen-bonded Turntrans-60.8-28-178610000113.4R20 F21 V39 V70R20-S37 WeakPolarHBondContact CA-OG 2.87Å; F21-S37 PolarHBondContact N-OG 3.34Å; F21-S37 PolarHBondContact O-N 3.16Å; F21-S37 PolarHBondContact O-OG 3.12Å; S37-V39 PolarHBondContact O-N 2.7Å; S37-V70 VanDerWaalsContact CB-CG2 3.44Å
38D97.8Very high97.8Very high105 Ų10566 Ų6656%0.56132%0.321SS*.THydrogen-bonded Turntrans-71.9-22178-67.4-3.8000111.6R20 D36R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.35Å; R20-D38 IonicContact NE-OD2 3.65Å; D36-D38 PolarHBondContact O-N 2.62Å; D36-D38 PolarHBondContact OD1-N 2.86Å; D36-D38 VanDerWaalsContact OD1-N 3.14Å
39V98.3Very high97.9Very high80 Ų8062.9 Ų62.949%0.48530%0.304SS..THydrogen-bonded Turntrans-98.4-36.8177.1-175.80000111.1D36 S37 E41D36-V39 HydrophobicContact CB-CB 4.22Å; D36-V39 HydrophobicContact CB-CG2 4.01Å; D36-V39 CarbonylContact O-C 3.58Å; D36-V39 PolarHBondContact O-N 3.44Å; S37-V39 PolarHBondContact O-N 2.7Å; V39-E41 HydrophobicContact CG1-CG 3.96Å
40G98.1Very high98.1Very high10 Ų1061 Ų6110%0.10329%0.29CS..THydrogen-bonded Turntrans83.313.7176.500000115.4F35 D36 R67F35-G40 VanDerWaalsContact CE2-C 3.46Å; D36-G40 PolarHBondContact O-N 3.23Å; G40-R67 VanDerWaalsContact O-CZ 3.31Å; G40-R67 PolarHBondContact O-NE 2.95Å; G40-R67 PolarHBondContact O-NH2 3.41Å
41E98.5Very high98.2Very high56 Ų5659.1 Ų59.126%0.26229%0.289SS..EExtended strand (participates in β ladder)trans-154.5166.7177.960.3179.3-157.200112V39 R43 N57 L63V39-E41 HydrophobicContact CG1-CG 3.96Å; E41-R43 IonicContact OE1-CZ 2.65Å; E41-R43 IonicContact OE1-NE 3.41Å; E41-R43 PolarHBondContact OE1-NE 2.03Å; E41-R43 IonicContact OE1-NH1 2.97Å; E41-R43 IonicContact OE1-NH2 3.91Å; E41-R43 PolarHBondContact OE1-NH2 2.96Å; E41-N57 WeakPolarHBondContact CB-OD1 3.46Å; E41-L63 HydrophobicContact CB-CD2 4.23Å
42Y98.6Very high98.2Very high4 Ų460.6 Ų60.62%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-76.4138.3173.5-72.8-92.6000111E23 H25 R34 F35 W56 N57 L62 L63 K66E23-Y42 WeakPolarHBondContact OE1-CE1 3.41Å; E23-Y42 PolarHBondContact OE1-OH 2.97Å; H25-Y42 AromaticContact NE2-CE1 3.94Å; R34-Y42 CarbonylContact O-C 3.5Å; R34-Y42 VanDerWaalsContact O-CA 3.3Å; R34-Y42 WeakPolarHBondContact O-CA 3.34Å; F35-Y42 HydrophobicContact CB-CD1 3.67Å; F35-Y42 HydrophobicContact CB-CD2 4.23Å; F35-Y42 HydrophobicContact CB-CE1 3.54Å; F35-Y42 HydrophobicContact CB-CE2 4.09Å; F35-Y42 HydrophobicContact CB-CG 4.03Å; F35-Y42 AromaticContact CD2-CD2 3.87Å; F35-Y42 HydrophobicContact CD2-CD2 3.87Å; F35-Y42 AromaticContact CD2-CE2 3.89Å; F35-Y42 HydrophobicContact CD2-CE2 3.89Å; F35-Y42 HydrophobicContact CD2-CG 4.32Å; F35-Y42 HydrophobicContact CG-CE2 4.35Å; Y42-W56 HydrophobicContact CD1-CD2 4.24Å; Y42-W56 AromaticContact CD1-CE3 3.27Å; Y42-W56 HydrophobicContact CD1-CE3 3.27Å; Y42-W56 AromaticContact CD1-CZ3 3.73Å; Y42-W56 HydrophobicContact CD1-CZ3 3.73Å; Y42-W56 HydrophobicContact CD2-CB 3.62Å; Y42-W56 HydrophobicContact CD2-CE3 4.33Å; Y42-W56 HydrophobicContact CD2-CG 4.47Å; Y42-W56 HydrophobicContact CE1-CD2 4.24Å; Y42-W56 AromaticContact CE1-CE3 3.54Å; Y42-W56 HydrophobicContact CE1-CE3 3.54Å; Y42-W56 AromaticContact CE1-CZ3 3.89Å; Y42-W56 HydrophobicContact CE1-CZ3 3.89Å; Y42-W56 HydrophobicContact CE2-CB 3.9Å; Y42-W56 HydrophobicContact CE2-CG 4.49Å; Y42-W56 HydrophobicContact CG-CB 4.02Å; Y42-W56 HydrophobicContact CG-CD2 4.45Å; Y42-W56 AromaticContact CG-CE3 3.7Å; Y42-W56 HydrophobicContact CG-CE3 3.7Å; Y42-N57 WeakPolarHBondContact CB-OD1 3.47Å; Y42-N57 PolarHBondContact N-OD1 2.9Å; Y42-N57 PolarHBondContact O-ND2 2.65Å; Y42-L62 HydrophobicContact CE2-CD2 4.4Å; Y42-L63 HydrophobicContact CD2-CD2 4.06Å; Y42-L63 HydrophobicContact CE2-CD2 4.47Å; Y42-K66 HydrophobicContact CE2-CG 4.08Å; Y42-K66 WeakPolarHBondContact OH-CD 3.38Å; Y42-K66 WeakPolarHBondContact OH-CE 3.29Å; Y42-K66 WeakPolarHBondContact OH-CG 3.37Å
43R98.6Very high98.2Very high147 Ų14759.5 Ų59.556%0.55529%0.294SS*.EExtended strand (participates in β ladder)trans-126.7133.8173.7-68.3-67.6-173.7169.3-0.6109.8A33 R34 E41 V45A33-R43 WeakPolarHBondContact CA-O 3.39Å; R34-R43 PolarHBondContact N-O 2.91Å; R34-R43 PolarHBondContact O-N 2.8Å; E41-R43 IonicContact OE1-CZ 2.65Å; E41-R43 IonicContact OE1-NE 3.41Å; E41-R43 PolarHBondContact OE1-NE 2.03Å; E41-R43 IonicContact OE1-NH1 2.97Å; E41-R43 IonicContact OE1-NH2 3.91Å; E41-R43 PolarHBondContact OE1-NH2 2.96Å; R43-V45 PolarHBondContact O-N 3.39Å
44A98.3Very high98.2Very high40 Ų4066.1 Ų66.133%0.33133%0.325SS..EExtended strand (participates in β ladder)trans-68.1125.4168.200000109.4R50 A53A44-R50 HydrophobicContact CB-CB 4.35Å; A44-R50 HydrophobicContact CB-CG 3.76Å; A44-A53 HydrophobicContact CB-CB 4.28Å
45V98.1Very high98.2Very high47 Ų4769 Ų6929%0.28534%0.337SS..SBendtrans-88.5-28.2172.9-179.80000110.3E31 Y32 R34 R43E31-V45 HydrophobicContact CB-CG1 4.36Å; E31-V45 HydrophobicContact CG-CB 4.26Å; E31-V45 HydrophobicContact CG-CG1 4.36Å; E31-V45 HydrophobicContact CG-CG2 3.96Å; E31-V45 WeakPolarHBondContact O-CB 3.47Å; E31-V45 WeakPolarHBondContact O-CG1 3.43Å; Y32-V45 PolarHBondContact O-N 3.07Å; R34-V45 HydrophobicContact CB-CG2 4.17Å; R43-V45 PolarHBondContact O-N 3.39Å
46R97.6Very high98.2Very high145 Ų14570.9 Ų70.955%0.54734%0.344SS..SBendtrans-131.1162.2173.8-63-63.9-171.7-1484.1110.1E31 Y32 L48 G49E31-R46 WeakPolarHBondContact O-CG 2.99Å; Y32-R46 PolarHBondContact O-N 3.1Å; R46-L48 PolarHBondContact O-N 3.25Å; R46-G49 PolarHBondContact O-N 3.26Å
47E97.2Very high98.2Very high124 Ų12472.1 Ų72.158%0.57935%0.351SS*.G310 helixtrans-51.8-39.2175.8-63.9-57.1119.900112.8G49 R50E47-G49 PolarHBondContact O-N 2.98Å; E47-R50 PolarHBondContact O-N 3.03Å; E47-R50 VanDerWaalsContact O-N 3.14Å; E47-R50 IonicContact OE1-CZ 2.65Å; E47-R50 VanDerWaalsContact OE1-CZ 3.23Å; E47-R50 IonicContact OE1-NE 2.93Å; E47-R50 PolarHBondContact OE1-NE 2.99Å; E47-R50 IonicContact OE1-NH2 2.61Å; E47-R50 PolarHBondContact OE1-NH2 3.06Å; E47-R50 IonicContact OE2-CZ 3.34Å; E47-R50 IonicContact OE2-NE 2.97Å; E47-R50 PolarHBondContact OE2-NE 2.84Å; E47-R50 IonicContact OE2-NH1 3.77Å; E47-R50 PolarHBondContact OE2-NH1 3.37Å; E47-R50 IonicContact OE2-NH2 2.9Å; E47-R50 PolarHBondContact OE2-NH2 3.33Å
48L96.4Very high98.2Very high103 Ų10374.9 Ų74.954%0.53937%0.37SS..G310 helixtrans-54.4-35.2177.8-17864.6000112.9H27 R46 P51H27-L48 HydrophobicContact CB-CD2 4.1Å; R46-L48 PolarHBondContact O-N 3.25Å; L48-P51 WeakPolarHBondContact O-CD 3.22Å
49G98.2Very high98.2Very high0 Ų073 Ų730%036%0.358CS..G310 helixtrans-88.81-176.500000115.4R46 E47 D52 A53R46-G49 PolarHBondContact O-N 3.26Å; E47-G49 PolarHBondContact O-N 2.98Å; G49-D52 PolarHBondContact O-N 3.42Å; G49-A53 WeakPolarHBondContact O-CB 3.43Å; G49-A53 PolarHBondContact O-N 3.2Å
50R98.6Very high98.2Very high128 Ų12876.9 Ų76.948%0.48337%0.368SS..Hα-helixtrans-60.3-49.1178.4-71.5-176.6-176.5-173.56.8112.7A44 E47 D52 A53 E54A44-R50 HydrophobicContact CB-CB 4.35Å; A44-R50 HydrophobicContact CB-CG 3.76Å; E47-R50 PolarHBondContact O-N 3.03Å; E47-R50 VanDerWaalsContact O-N 3.14Å; E47-R50 IonicContact OE1-CZ 2.65Å; E47-R50 VanDerWaalsContact OE1-CZ 3.23Å; E47-R50 IonicContact OE1-NE 2.93Å; E47-R50 PolarHBondContact OE1-NE 2.99Å; E47-R50 IonicContact OE1-NH2 2.61Å; E47-R50 PolarHBondContact OE1-NH2 3.06Å; E47-R50 IonicContact OE2-CZ 3.34Å; E47-R50 IonicContact OE2-NE 2.97Å; E47-R50 PolarHBondContact OE2-NE 2.84Å; E47-R50 IonicContact OE2-NH1 3.77Å; E47-R50 PolarHBondContact OE2-NH1 3.37Å; E47-R50 IonicContact OE2-NH2 2.9Å; E47-R50 PolarHBondContact OE2-NH2 3.33Å; R50-D52 VanDerWaalsContact C-N 3.29Å; R50-D52 PolarHBondContact O-N 3.14Å; R50-A53 PolarHBondContact O-N 2.95Å; R50-E54 WeakPolarHBondContact O-CG 3.15Å; R50-E54 PolarHBondContact O-N 3.34Å
51P98.4Very high98.2Very high83 Ų8382.9 Ų82.954%0.53940%0.398SS..Hα-helixtrans-59.7-41.2179.5-2334.9000112.4L48 Y55L48-P51 WeakPolarHBondContact O-CD 3.22Å; P51-Y55 VanDerWaalsContact O-CB 3.28Å; P51-Y55 WeakPolarHBondContact O-CB 3.31Å; P51-Y55 PolarHBondContact O-N 2.94Å
52D98.3Very high98.2Very high55 Ų5582 Ų8229%0.29440%0.395SS..Hα-helixtrans-67.3-45.8179.7-64-41.1000111.7Y32 G49 R50 E54 Y55 W56Y32-D52 WeakPolarHBondContact CE2-OD2 3.49Å; G49-D52 PolarHBondContact O-N 3.42Å; R50-D52 VanDerWaalsContact C-N 3.29Å; R50-D52 PolarHBondContact O-N 3.14Å; D52-E54 PolarHBondContact O-N 2.84Å; D52-Y55 PolarHBondContact O-N 3.36Å; D52-W56 HydrophobicContact CB-CD2 4.2Å; D52-W56 HydrophobicContact CB-CE3 4.04Å; D52-W56 HydrophobicContact CB-CH2 3.71Å; D52-W56 HydrophobicContact CB-CZ2 3.83Å; D52-W56 HydrophobicContact CB-CZ3 3.82Å; D52-W56 WeakPolarHBondContact O-CB 3.37Å; D52-W56 PolarHBondContact O-N 2.9Å
53A98.6Very high98.1Very high6 Ų682.5 Ų82.55%0.0540%0.397CS..Hα-helixtrans-61.4-43.8177.800000111.8A44 G49 R50 N57A44-A53 HydrophobicContact CB-CB 4.28Å; G49-A53 WeakPolarHBondContact O-CB 3.43Å; G49-A53 PolarHBondContact O-N 3.2Å; R50-A53 PolarHBondContact O-N 2.95Å; A53-N57 WeakPolarHBondContact O-CB 3.47Å; A53-N57 PolarHBondContact O-N 3.36Å; A53-N57 PolarHBondContact O-ND2 3.24Å; A53-N57 VanDerWaalsContact O-ND2 3.08Å
54E98.5Very high98.1Very high138 Ų13881.6 Ų81.665%0.64540%0.4SS*.Hα-helixtrans-62.1-47.2175.6-73173.4-17200111.5R50 D52 N57 S58R50-E54 WeakPolarHBondContact O-CG 3.15Å; R50-E54 PolarHBondContact O-N 3.34Å; D52-E54 PolarHBondContact O-N 2.84Å; E54-N57 PolarHBondContact O-N 2.65Å; E54-S58 PolarHBondContact O-N 3.34Å
55Y98.6Very high98.1Very high134 Ų13484.9 Ų84.953%0.52541%0.408SS..Hα-helixtrans-63.8-46.7179.7176.4-114.8000112.3P51 D52 S58 Q59P51-Y55 VanDerWaalsContact O-CB 3.28Å; P51-Y55 WeakPolarHBondContact O-CB 3.31Å; P51-Y55 PolarHBondContact O-N 2.94Å; D52-Y55 PolarHBondContact O-N 3.36Å; Y55-S58 PolarHBondContact O-N 3.27Å; Y55-S58 PolarHBondContact O-OG 3.42Å; Y55-Q59 VanDerWaalsContact CZ-NE2 3.25Å; Y55-Q59 PolarHBondContact O-NE2 2.91Å
56W98.6Very high98.1Very high40 Ų4084.1 Ų84.115%0.15240%0.401CS..Hα-helixtrans-66.4-37.7178.2-62.2-29.8000112.3H25 Y32 A33 Y42 D52 S58 Q59 L62H25-W56 AromaticContact CD2-CH2 3.84Å; H25-W56 AromaticContact CD2-CZ3 3.83Å; H25-W56 AromaticContact CE1-CH2 3.49Å; H25-W56 VanDerWaalsContact CE1-CH2 3.49Å; H25-W56 WeakPolarHBondContact CE1-CH2 3.48Å; H25-W56 AromaticContact CG-CH2 3.82Å; H25-W56 AromaticContact ND1-CH2 3.64Å; H25-W56 AromaticContact NE2-CH2 3.65Å; H25-W56 AromaticContact NE2-CZ3 3.78Å; Y32-W56 HydrophobicContact CE2-CH2 4.44Å; A33-W56 HydrophobicContact CB-CH2 4.43Å; A33-W56 HydrophobicContact CB-CZ3 3.74Å; Y42-W56 HydrophobicContact CD1-CD2 4.24Å; Y42-W56 AromaticContact CD1-CE3 3.27Å; Y42-W56 HydrophobicContact CD1-CE3 3.27Å; Y42-W56 AromaticContact CD1-CZ3 3.73Å; Y42-W56 HydrophobicContact CD1-CZ3 3.73Å; Y42-W56 HydrophobicContact CD2-CB 3.62Å; Y42-W56 HydrophobicContact CD2-CE3 4.33Å; Y42-W56 HydrophobicContact CD2-CG 4.47Å; Y42-W56 HydrophobicContact CE1-CD2 4.24Å; Y42-W56 AromaticContact CE1-CE3 3.54Å; Y42-W56 HydrophobicContact CE1-CE3 3.54Å; Y42-W56 AromaticContact CE1-CZ3 3.89Å; Y42-W56 HydrophobicContact CE1-CZ3 3.89Å; Y42-W56 HydrophobicContact CE2-CB 3.9Å; Y42-W56 HydrophobicContact CE2-CG 4.49Å; Y42-W56 HydrophobicContact CG-CB 4.02Å; Y42-W56 HydrophobicContact CG-CD2 4.45Å; Y42-W56 AromaticContact CG-CE3 3.7Å; Y42-W56 HydrophobicContact CG-CE3 3.7Å; D52-W56 HydrophobicContact CB-CD2 4.2Å; D52-W56 HydrophobicContact CB-CE3 4.04Å; D52-W56 HydrophobicContact CB-CH2 3.71Å; D52-W56 HydrophobicContact CB-CZ2 3.83Å; D52-W56 HydrophobicContact CB-CZ3 3.82Å; D52-W56 WeakPolarHBondContact O-CB 3.37Å; D52-W56 PolarHBondContact O-N 2.9Å; W56-S58 PolarHBondContact O-N 2.87Å; W56-Q59 PolarHBondContact O-N 2.84Å; W56-Q59 VanDerWaalsContact O-N 3.16Å; W56-L62 HydrophobicContact CB-CD2 3.92Å; W56-L62 HydrophobicContact CG-CD2 4.11Å
57N98.6Very high98.1Very high44 Ų4483 Ų8324%0.23540%0.397CS..Hα-helixtrans-69.1-24.4176.3-71.7-22.8000112.9E41 Y42 A53 E54 Q59 L63E41-N57 WeakPolarHBondContact CB-OD1 3.46Å; Y42-N57 WeakPolarHBondContact CB-OD1 3.47Å; Y42-N57 PolarHBondContact N-OD1 2.9Å; Y42-N57 PolarHBondContact O-ND2 2.65Å; A53-N57 WeakPolarHBondContact O-CB 3.47Å; A53-N57 PolarHBondContact O-N 3.36Å; A53-N57 PolarHBondContact O-ND2 3.24Å; A53-N57 VanDerWaalsContact O-ND2 3.08Å; E54-N57 PolarHBondContact O-N 2.65Å; N57-Q59 PolarHBondContact O-N 3.44Å; N57-L63 HydrophobicContact CB-CD1 4.36Å; N57-L63 VanDerWaalsContact O-CD1 3.28Å; N57-L63 WeakPolarHBondContact O-CD1 3.46Å; N57-L63 WeakPolarHBondContact OD1-CD2 3.46Å
58S98.4Very high98.2Very high83 Ų8378.1 Ų78.158%0.5838%0.38SS*.Hα-helixtrans-71.1-20.6174.279.40000113E54 Y55 W56 K60E54-S58 PolarHBondContact O-N 3.34Å; Y55-S58 PolarHBondContact O-N 3.27Å; Y55-S58 PolarHBondContact O-OG 3.42Å; W56-S58 PolarHBondContact O-N 2.87Å; S58-K60 PolarHBondContact O-N 3.1Å
59Q98.6Very high98.3Very high67 Ų6775 Ų7531%0.31336%0.362SS..  trans-90.795.2-179.8-67.9175.180.800110.9Y55 W56 N57 D61 L62 L63Y55-Q59 VanDerWaalsContact CZ-NE2 3.25Å; Y55-Q59 PolarHBondContact O-NE2 2.91Å; W56-Q59 PolarHBondContact O-N 2.84Å; W56-Q59 VanDerWaalsContact O-N 3.16Å; N57-Q59 PolarHBondContact O-N 3.44Å; Q59-D61 PolarHBondContact O-N 2.98Å; Q59-L62 HydrophobicContact CB-CB 3.81Å; Q59-L62 HydrophobicContact CB-CD2 4.38Å; Q59-L62 WeakPolarHBondContact O-CB 3.36Å; Q59-L62 PolarHBondContact O-N 2.81Å; Q59-L63 PolarHBondContact O-N 2.95Å
60K97.6Very high98.3Very high161 Ų16175.8 Ų75.870%0.737%0.367SS*.Hα-helixtrans-58.8-45.4-175.8-65.1-173.7179.6-178.80113.3S58 L62 L63 E64S58-K60 PolarHBondContact O-N 3.1Å; K60-L62 VanDerWaalsContact C-N 3.26Å; K60-L62 PolarHBondContact O-N 2.92Å; K60-L63 PolarHBondContact O-N 3.22Å; K60-L63 VanDerWaalsContact O-N 3.15Å; K60-E64 PolarHBondContact O-N 2.61Å
61D98.2Very high98.2Very high136 Ų13673.9 Ų73.973%0.72737%0.367SS*.Hα-helixtrans-61.7-37.7-179.6-57.4-10.7000111.5Q59 Q65Q59-D61 PolarHBondContact O-N 2.98Å; D61-Q65 WeakPolarHBondContact O-CB 3.46Å; D61-Q65 PolarHBondContact O-N 2.82Å
62L97.9Very high98.2Very high37 Ų3775.5 Ų75.519%0.19437%0.371CS..Hα-helixtrans-65-48.6174.8179.365.6000110.6Y42 W56 Q59 K60 E64 Q65 K66Y42-L62 HydrophobicContact CE2-CD2 4.4Å; W56-L62 HydrophobicContact CB-CD2 3.92Å; W56-L62 HydrophobicContact CG-CD2 4.11Å; Q59-L62 HydrophobicContact CB-CB 3.81Å; Q59-L62 HydrophobicContact CB-CD2 4.38Å; Q59-L62 WeakPolarHBondContact O-CB 3.36Å; Q59-L62 PolarHBondContact O-N 2.81Å; K60-L62 VanDerWaalsContact C-N 3.26Å; K60-L62 PolarHBondContact O-N 2.92Å; L62-E64 PolarHBondContact O-N 2.97Å; L62-Q65 WeakPolarHBondContact O-CB 3.35Å; L62-Q65 PolarHBondContact O-N 2.77Å; L62-K66 HydrophobicContact CD1-CG 4.28Å; L62-K66 HydrophobicContact CG-CG 4.45Å; L62-K66 VanDerWaalsContact O-CG 3.26Å; L62-K66 WeakPolarHBondContact O-CG 3.34Å; L62-K66 PolarHBondContact O-N 2.98Å
63L97.8Very high98.1Very high14 Ų1477.1 Ų77.17%0.07337%0.373CS..Hα-helixtrans-59.9-44.2178.6-81.5-177.9000112.6F35 E41 Y42 N57 Q59 K60 K66 R67F35-L63 HydrophobicContact CD2-CD2 4.34Å; F35-L63 HydrophobicContact CE2-CD2 4.05Å; E41-L63 HydrophobicContact CB-CD2 4.23Å; Y42-L63 HydrophobicContact CD2-CD2 4.06Å; Y42-L63 HydrophobicContact CE2-CD2 4.47Å; N57-L63 HydrophobicContact CB-CD1 4.36Å; N57-L63 VanDerWaalsContact O-CD1 3.28Å; N57-L63 WeakPolarHBondContact O-CD1 3.46Å; N57-L63 WeakPolarHBondContact OD1-CD2 3.46Å; Q59-L63 PolarHBondContact O-N 2.95Å; K60-L63 PolarHBondContact O-N 3.22Å; K60-L63 VanDerWaalsContact O-N 3.15Å; L63-K66 PolarHBondContact O-N 2.84Å; L63-R67 VanDerWaalsContact O-CG 3.23Å; L63-R67 WeakPolarHBondContact O-CG 3.5Å; L63-R67 PolarHBondContact O-N 3.18Å
64E97.9Very high98.1Very high128 Ų12876.9 Ų76.960%0.59837%0.371SS*.Hα-helixtrans-62.2-44176-72.3-175.2178.800111.4K60 L62 K66 R67 G68K60-E64 PolarHBondContact O-N 2.61Å; L62-E64 PolarHBondContact O-N 2.97Å; E64-K66 VanDerWaalsContact C-N 3.32Å; E64-K66 PolarHBondContact O-N 2.93Å; E64-R67 PolarHBondContact O-N 3.21Å; E64-G68 PolarHBondContact O-N 2.8Å
65Q98.1Very high98Very high110 Ų11073.8 Ų73.851%0.51435%0.353SS..Hα-helixtrans-59-42.6174.9-173.9-169.159.300112D61 L62 G68 Q69D61-Q65 WeakPolarHBondContact O-CB 3.46Å; D61-Q65 PolarHBondContact O-N 2.82Å; L62-Q65 WeakPolarHBondContact O-CB 3.35Å; L62-Q65 PolarHBondContact O-N 2.77Å; Q65-G68 PolarHBondContact O-N 2.93Å; Q65-Q69 WeakPolarHBondContact O-CG 3.23Å; Q65-Q69 PolarHBondContact O-N 2.82Å; Q65-Q69 PolarHBondContact O-NE2 3.28Å
66K98.1Very high97.9Very high31 Ų3172.8 Ų72.814%0.13535%0.353CS..Hα-helixtrans-69.3-39.4-179.8-64.8-65.6167.8-178.80112.3F21 E23 F35 Y42 L62 L63 E64 G68 Q69F21-K66 HydrophobicContact CE1-CD 4.46Å; E23-K66 IonicContact OE1-NZ 2.95Å; E23-K66 WeakPolarHBondContact OE2-CE 3.5Å; E23-K66 IonicContact OE2-NZ 3.35Å; E23-K66 PolarHBondContact OE2-NZ 3.41Å; F35-K66 HydrophobicContact CD1-CB 4.01Å; F35-K66 HydrophobicContact CD2-CB 3.89Å; F35-K66 HydrophobicContact CE1-CB 3.78Å; F35-K66 HydrophobicContact CE2-CB 3.64Å; F35-K66 HydrophobicContact CG-CB 4.07Å; F35-K66 HydrophobicContact CZ-CB 3.59Å; Y42-K66 HydrophobicContact CE2-CG 4.08Å; Y42-K66 WeakPolarHBondContact OH-CD 3.38Å; Y42-K66 WeakPolarHBondContact OH-CE 3.29Å; Y42-K66 WeakPolarHBondContact OH-CG 3.37Å; L62-K66 HydrophobicContact CD1-CG 4.28Å; L62-K66 HydrophobicContact CG-CG 4.45Å; L62-K66 VanDerWaalsContact O-CG 3.26Å; L62-K66 WeakPolarHBondContact O-CG 3.34Å; L62-K66 PolarHBondContact O-N 2.98Å; L63-K66 PolarHBondContact O-N 2.84Å; E64-K66 VanDerWaalsContact C-N 3.32Å; E64-K66 PolarHBondContact O-N 2.93Å; K66-G68 PolarHBondContact O-N 2.78Å; K66-Q69 HydrophobicContact CD-CG 4.49Å; K66-Q69 WeakPolarHBondContact O-CB 3.45Å; K66-Q69 WeakPolarHBondContact O-CG 3.34Å; K66-Q69 PolarHBondContact O-N 2.82Å; K66-Q69 VanDerWaalsContact O-N 3.1Å
67R98.1Very high97.7Very high122 Ų12274.2 Ų74.246%0.4636%0.364SS..Hα-helixtrans-59.2-37.4172.3-70.9166.2-176.6171.60.1111.7F35 G40 L63 E64 Q69F35-R67 HydrophobicContact CE2-CG 4.46Å; F35-R67 HydrophobicContact CZ-CG 3.9Å; G40-R67 VanDerWaalsContact O-CZ 3.31Å; G40-R67 PolarHBondContact O-NE 2.95Å; G40-R67 PolarHBondContact O-NH2 3.41Å; L63-R67 VanDerWaalsContact O-CG 3.23Å; L63-R67 WeakPolarHBondContact O-CG 3.5Å; L63-R67 PolarHBondContact O-N 3.18Å; E64-R67 PolarHBondContact O-N 3.21Å; R67-Q69 VanDerWaalsContact C-N 3.29Å; R67-Q69 PolarHBondContact O-N 3.43Å
68G98.2Very high97.5Very high21 Ų2174.7 Ų74.722%0.21636%0.363CS..THydrogen-bonded Turntrans-72.6-10.1176.300000115.7E64 Q65 K66 V70 D71 N72E64-G68 PolarHBondContact O-N 2.8Å; Q65-G68 PolarHBondContact O-N 2.93Å; K66-G68 PolarHBondContact O-N 2.78Å; G68-V70 PolarHBondContact O-N 3.38Å; G68-D71 PolarHBondContact O-N 2.93Å; G68-N72 WeakPolarHBondContact O-CB 3.42Å; G68-N72 PolarHBondContact O-N 2.63Å; G68-N72 PolarHBondContact O-ND2 2.9Å
69Q98.3Very high97.2Very high36 Ų3672.6 Ų72.617%0.16835%0.354CS..Hα-helixtrans-67.6-20.3-176.6-65.7-62.3-53.100113.5F21 Q65 K66 R67 D71 Y73 C74F21-Q69 HydrophobicContact CB-CB 4.47Å; F21-Q69 HydrophobicContact CD1-CB 3.58Å; F21-Q69 HydrophobicContact CD1-CG 4.23Å; F21-Q69 HydrophobicContact CD2-CB 3.9Å; F21-Q69 HydrophobicContact CE1-CB 3.65Å; F21-Q69 HydrophobicContact CE1-CG 3.81Å; F21-Q69 HydrophobicContact CE2-CB 3.95Å; F21-Q69 HydrophobicContact CE2-CG 4.41Å; F21-Q69 HydrophobicContact CG-CB 3.71Å; F21-Q69 HydrophobicContact CZ-CB 3.83Å; F21-Q69 HydrophobicContact CZ-CG 3.9Å; Q65-Q69 WeakPolarHBondContact O-CG 3.23Å; Q65-Q69 PolarHBondContact O-N 2.82Å; Q65-Q69 PolarHBondContact O-NE2 3.28Å; K66-Q69 HydrophobicContact CD-CG 4.49Å; K66-Q69 WeakPolarHBondContact O-CB 3.45Å; K66-Q69 WeakPolarHBondContact O-CG 3.34Å; K66-Q69 PolarHBondContact O-N 2.82Å; K66-Q69 VanDerWaalsContact O-N 3.1Å; R67-Q69 VanDerWaalsContact C-N 3.29Å; R67-Q69 PolarHBondContact O-N 3.43Å; Q69-D71 VanDerWaalsContact C-N 3.27Å; Q69-D71 PolarHBondContact O-N 2.93Å; Q69-Y73 WeakPolarHBondContact O-CA 3.45Å; Q69-Y73 WeakPolarHBondContact O-CB 3.3Å; Q69-Y73 PolarHBondContact O-N 3.35Å; Q69-C74 PolarHBondContact O-N 2.96Å
70V98.4Very high96.8Very high18 Ų1872.5 Ų72.511%0.10936%0.358CS..Iπ-helixtrans-57.3-45.1174.3-1710000110.5V19 F21 S37 G68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.75Å; V19-V70 HydrophobicContact CG1-CG1 3.93Å; V19-V70 WeakPolarHBondContact O-CG1 3.49Å; F21-V70 HydrophobicContact CB-CG2 4.07Å; S37-V70 VanDerWaalsContact CB-CG2 3.44Å; G68-V70 PolarHBondContact O-N 3.38Å; V70-C74 WeakPolarHBondContact O-CB 3.48Å; V70-R75 VanDerWaalsContact CG1-NH1 3.31Å; V70-R75 PolarHBondContact O-N 2.95Å
71D98Very high96.4Very high88 Ų8865.6 Ų65.647%0.47133%0.333SS..Iπ-helixtrans-87.1-53.3178.7-68.7-56.8000111.9G68 Q69 Y73 R75 H76G68-D71 PolarHBondContact O-N 2.93Å; Q69-D71 VanDerWaalsContact C-N 3.27Å; Q69-D71 PolarHBondContact O-N 2.93Å; D71-Y73 VanDerWaalsContact C-N 3.26Å; D71-Y73 PolarHBondContact O-N 3.23Å; D71-R75 WeakPolarHBondContact OD1-CD 3.32Å; D71-R75 IonicContact OD1-CZ 3.44Å; D71-R75 IonicContact OD1-NE 3.85Å; D71-R75 IonicContact OD1-NH1 3.39Å; D71-R75 PolarHBondContact OD1-NH1 3.35Å; D71-R75 IonicContact OD2-NH1 3.68Å; D71-H76 PolarHBondContact O-N 2.99Å; D71-H76 VanDerWaalsContact O-N 3.1Å
72N97.1Very high95.8Very high117 Ų11762.3 Ų62.363%0.62631%0.313SS*.Iπ-helixtrans-69.7-24.1-168.7-65.3-20.8000113.3G68 H76G68-N72 WeakPolarHBondContact O-CB 3.42Å; G68-N72 PolarHBondContact O-N 2.63Å; G68-N72 PolarHBondContact O-ND2 2.9Å; N72-H76 WeakPolarHBondContact O-CB 3.2Å
73Y97.3Very high95.1Very high89 Ų8965.3 Ų65.335%0.34934%0.337SS..Iπ-helixtrans-116.8-57.6179.9-179.9-98.3000111.5C10 F21 Q69 D71 N77C10-Y73 VanDerWaalsContact SG-CD1 3.55Å; F21-Y73 HydrophobicContact CD2-CD1 4.28Å; F21-Y73 HydrophobicContact CE2-CD1 4.06Å; F21-Y73 HydrophobicContact CE2-CE1 4.44Å; Q69-Y73 WeakPolarHBondContact O-CA 3.45Å; Q69-Y73 WeakPolarHBondContact O-CB 3.3Å; Q69-Y73 PolarHBondContact O-N 3.35Å; D71-Y73 VanDerWaalsContact C-N 3.26Å; D71-Y73 PolarHBondContact O-N 3.23Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.24Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.43Å; Y73-N77 WeakPolarHBondContact O-CB 3.43Å; Y73-N77 PolarHBondContact O-N 3.32Å; Y73-N77 PolarHBondContact O-ND2 3.47Å
74C97.9Very high94.2Very high0 Ų071.9 Ų71.90%037%0.365CS..Iπ-helixtrans-68.8-59-172.7-62.50000112.8C10 F12 V19 Q69 V70 H76 N77 Y78C10-C74 HydrophobicContact CB-CB 3.61Å; C10-C74 WeakPolarHBondContact CB-SG 3.41Å; C10-C74 WeakPolarHBondContact SG-CA 3.18Å; C10-C74 WeakPolarHBondContact SG-CB 3.38Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.35Å; F12-C74 HydrophobicContact CE1-CB 4.17Å; F12-C74 HydrophobicContact CZ-CB 3.96Å; F12-C74 WeakPolarHBondContact CZ-O 3.26Å; V19-C74 HydrophobicContact CG1-CB 3.47Å; V19-C74 VanDerWaalsContact CG1-CB 3.47Å; Q69-C74 PolarHBondContact O-N 2.96Å; V70-C74 WeakPolarHBondContact O-CB 3.48Å; C74-H76 VanDerWaalsContact C-N 3.34Å; C74-H76 PolarHBondContact O-N 2.68Å; C74-N77 PolarHBondContact O-N 2.91Å; C74-Y78 VanDerWaalsContact O-CB 3.31Å; C74-Y78 WeakPolarHBondContact O-CB 3.47Å; C74-Y78 PolarHBondContact O-N 2.67Å
75R96.9Very high93.4Very high73 Ų7369.2 Ų69.228%0.27536%0.358SS..Iπ-helixtrans-64.2-40.6179.5-69.6-169.8-177.892.82.5112T16 V19 V70 D71 Y78 G79T16-R75 HydrophobicContact CG2-CG 4.5Å; T16-R75 PolarHBondContact O-NE 3.14Å; T16-R75 VanDerWaalsContact O-NE 3.12Å; V19-R75 HydrophobicContact CG2-CG 3.93Å; V70-R75 VanDerWaalsContact CG1-NH1 3.31Å; V70-R75 PolarHBondContact O-N 2.95Å; D71-R75 WeakPolarHBondContact OD1-CD 3.32Å; D71-R75 IonicContact OD1-CZ 3.44Å; D71-R75 IonicContact OD1-NE 3.85Å; D71-R75 IonicContact OD1-NH1 3.39Å; D71-R75 PolarHBondContact OD1-NH1 3.35Å; D71-R75 IonicContact OD2-NH1 3.68Å; R75-Y78 PolarHBondContact O-N 3.23Å; R75-G79 PolarHBondContact O-N 3.18Å
76H95.6Very high92.3Very high113 Ų11370.6 Ų70.652%0.52337%0.374SS..Hα-helixtrans-54.8-56.2175.1179.273.8000112D71 N72 C74 Y78 G79 V80D71-H76 PolarHBondContact O-N 2.99Å; D71-H76 VanDerWaalsContact O-N 3.1Å; N72-H76 WeakPolarHBondContact O-CB 3.2Å; C74-H76 VanDerWaalsContact C-N 3.34Å; C74-H76 PolarHBondContact O-N 2.68Å; H76-Y78 VanDerWaalsContact C-N 3.32Å; H76-Y78 PolarHBondContact O-N 2.96Å; H76-G79 PolarHBondContact O-N 3.45Å; H76-V80 WeakPolarHBondContact O-CG2 3.36Å; H76-V80 PolarHBondContact O-N 2.96Å
77N95.1Very high91Very high70 Ų7074.1 Ų74.137%0.37439%0.39SS..Hα-helixtrans-68.3-32-178.1-71.4-34.4000112.8Y73 C74 V80 G81Y73-N77 WeakPolarHBondContact CD2-ND2 3.24Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.43Å; Y73-N77 WeakPolarHBondContact O-CB 3.43Å; Y73-N77 PolarHBondContact O-N 3.32Å; Y73-N77 PolarHBondContact O-ND2 3.47Å; C74-N77 PolarHBondContact O-N 2.91Å; N77-V80 PolarHBondContact O-N 3.43Å; N77-G81 PolarHBondContact O-N 3.37Å
78Y93.4Very high89.4Confident55 Ų5579.1 Ų79.122%0.21641%0.41CS..Hα-helixtrans-61.6-47.9173.6-173.9-84000111.1F12 T16 C74 R75 H76 V80 G81 E82F12-Y78 AromaticContact CD1-CD2 3.77Å; F12-Y78 HydrophobicContact CD1-CD2 3.77Å; F12-Y78 HydrophobicContact CD1-CE2 4.37Å; F12-Y78 HydrophobicContact CD1-CG 4.21Å; F12-Y78 HydrophobicContact CD2-CD2 4.1Å; F12-Y78 AromaticContact CE1-CD2 3.71Å; F12-Y78 HydrophobicContact CE1-CD2 3.71Å; F12-Y78 AromaticContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE2-CD2 4.02Å; F12-Y78 AromaticContact CG-CD2 3.99Å; F12-Y78 HydrophobicContact CG-CD2 3.99Å; F12-Y78 HydrophobicContact CG-CE2 4.33Å; F12-Y78 AromaticContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CG 4.18Å; T16-Y78 HydrophobicContact CG2-CD1 3.3Å; T16-Y78 HydrophobicContact CG2-CE1 3.7Å; T16-Y78 HydrophobicContact CG2-CG 3.79Å; C74-Y78 VanDerWaalsContact O-CB 3.31Å; C74-Y78 WeakPolarHBondContact O-CB 3.47Å; C74-Y78 PolarHBondContact O-N 2.67Å; R75-Y78 PolarHBondContact O-N 3.23Å; H76-Y78 VanDerWaalsContact C-N 3.32Å; H76-Y78 PolarHBondContact O-N 2.96Å; Y78-V80 PolarHBondContact O-N 3.08Å; Y78-G81 WeakPolarHBondContact O-CA 3.21Å; Y78-G81 PolarHBondContact O-N 2.91Å; Y78-G81 VanDerWaalsContact O-N 3.17Å; Y78-E82 HydrophobicContact CD1-CG 4.25Å; Y78-E82 HydrophobicContact CE1-CG 3.72Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.36Å; Y78-E82 VanDerWaalsContact CZ-OE1 3.28Å; Y78-E82 PolarHBondContact O-N 3.33Å; Y78-E82 PolarHBondContact OH-OE1 3.4Å
79G92.4Very high87.7Confident39 Ų3993.3 Ų93.340%0.40246%0.457SS..Hα-helixtrans-64-39.3177.400000113R75 H76 E82 S83R75-G79 PolarHBondContact O-N 3.18Å; H76-G79 PolarHBondContact O-N 3.45Å; G79-E82 PolarHBondContact O-N 2.83Å; G79-S83 PolarHBondContact O-N 3.31Å; G79-S83 VanDerWaalsContact O-N 3.16Å
80V91.6Very high87.2Confident65 Ų6596.2 Ų96.239%0.39447%0.471SS..Hα-helixtrans-60.1-50171.2175.10000109.4H76 N77 Y78 E82 S83 F84H76-V80 WeakPolarHBondContact O-CG2 3.36Å; H76-V80 PolarHBondContact O-N 2.96Å; N77-V80 PolarHBondContact O-N 3.43Å; Y78-V80 PolarHBondContact O-N 3.08Å; V80-E82 PolarHBondContact O-N 3.04Å; V80-S83 WeakPolarHBondContact O-CB 3.4Å; V80-S83 PolarHBondContact O-N 2.94Å; V80-S83 VanDerWaalsContact O-N 3.12Å; V80-S83 PolarHBondContact O-OG 3.16Å; V80-F84 VanDerWaalsContact C-CE1 3.45Å; V80-F84 HydrophobicContact CG1-CD1 4.38Å; V80-F84 HydrophobicContact CG1-CE1 3.96Å; V80-F84 WeakPolarHBondContact O-CD1 3.44Å; V80-F84 WeakPolarHBondContact O-CE1 3.28Å
81G88.3Confident86.6Confident16 Ų16100.3 Ų100.317%0.16549%0.49CS..Hα-helixtrans-48.5-53.5173.900000114.7N77 Y78 S83 F84 T85N77-G81 PolarHBondContact O-N 3.37Å; Y78-G81 WeakPolarHBondContact O-CA 3.21Å; Y78-G81 PolarHBondContact O-N 2.91Å; Y78-G81 VanDerWaalsContact O-N 3.17Å; G81-S83 PolarHBondContact O-N 3.03Å; G81-F84 PolarHBondContact O-N 3.44Å; G81-T85 WeakPolarHBondContact O-CB 3.49Å; G81-T85 WeakPolarHBondContact O-CG2 3.28Å; G81-T85 PolarHBondContact O-N 3.15Å; G81-T85 PolarHBondContact O-OG1 3.44Å
82E86Confident85.9Confident67 Ų67101 Ų10131%0.31349%0.491SS..Hα-helixtrans-62.6-31.5179.9-90-167166.800112.9Y78 G79 V80 F84 Q87Y78-E82 HydrophobicContact CD1-CG 4.25Å; Y78-E82 HydrophobicContact CE1-CG 3.72Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.36Å; Y78-E82 VanDerWaalsContact CZ-OE1 3.28Å; Y78-E82 PolarHBondContact O-N 3.33Å; Y78-E82 PolarHBondContact OH-OE1 3.4Å; G79-E82 PolarHBondContact O-N 2.83Å; V80-E82 PolarHBondContact O-N 3.04Å; E82-F84 PolarHBondContact O-N 3.21Å; E82-Q87 PolarHBondContact O-NE2 3.4Å
83S82.1Confident85.3Confident100 Ų100100.1 Ų100.170%0.69948%0.483SS*.Hα-helixtrans-65.7-24-179.875.20000113.9G79 V80 G81G79-S83 PolarHBondContact O-N 3.31Å; G79-S83 VanDerWaalsContact O-N 3.16Å; V80-S83 WeakPolarHBondContact O-CB 3.4Å; V80-S83 PolarHBondContact O-N 2.94Å; V80-S83 VanDerWaalsContact O-N 3.12Å; V80-S83 PolarHBondContact O-OG 3.16Å; G81-S83 PolarHBondContact O-N 3.03Å
84F80.3Confident84.5Confident151 Ų151100.8 Ų100.866%0.66249%0.492SS*.Hα-helixtrans-120.9-8.5-176.167.2-101.1000115V80 G81 E82V80-F84 VanDerWaalsContact C-CE1 3.45Å; V80-F84 HydrophobicContact CG1-CD1 4.38Å; V80-F84 HydrophobicContact CG1-CE1 3.96Å; V80-F84 WeakPolarHBondContact O-CD1 3.44Å; V80-F84 WeakPolarHBondContact O-CE1 3.28Å; G81-F84 PolarHBondContact O-N 3.44Å; E82-F84 PolarHBondContact O-N 3.21Å
85T79.6Confident83.6Confident72 Ų72107.5 Ų107.544%0.44252%0.524SS..SBendtrans-104.2156.7178.558.50000112G81 Q87G81-T85 WeakPolarHBondContact O-CB 3.49Å; G81-T85 WeakPolarHBondContact O-CG2 3.28Å; G81-T85 PolarHBondContact O-N 3.15Å; G81-T85 PolarHBondContact O-OG1 3.44Å; T85-Q87 PolarHBondContact O-N 2.65Å
86V76.3Confident82.7Confident140 Ų140109.9 Ų109.985%0.84854%0.542SS*.PPolyproline II helixtrans-61.7122.8170.7178.80000108.1R88V86-R88 PolarHBondContact O-N 3.24Å
87Q69.8Low81.7Confident104 Ų104109.7 Ų109.749%0.48654%0.544SS..PPolyproline II helixtrans-53.8127.3-179.8-67.8-73.9-42.900110.6E82 T85 R89E82-Q87 PolarHBondContact O-NE2 3.4Å; T85-Q87 PolarHBondContact O-N 2.65Å; Q87-R89 PolarHBondContact O-N 3.38Å
88R65.5Low80.6Confident228 Ų228113 Ų11386%0.8656%0.558SS**PPolyproline II helixtrans-69.9118.5175-73.8-179.4172.1-174.7-2.1107.8V86V86-R88 PolarHBondContact O-N 3.24Å
89R61.9Low79.4Confident319 Ų319118.3 Ų118.3100%1.20459%0.589SS**  trans-77.10173.4-69.8-174.9-179.6-172.7-0.1111.2Q87Q87-R89 PolarHBondContact O-N 3.38Å

Retrieved 89 of 89 residues in 19.3 ms (Link to these results)

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