A0A087XLC7_POEFO Loading...

2-hydroxyacylsphingosine 1-beta-galactosyltransferase

Catalyzes the transfer of galactose to ceramide, a key enzymatic step in the biosynthesis of galactocerebrosides, which are abundant sphingolipids of the myelin membrane of the central nervous system and peripheral nervous system. Galactosylates both hydroxy- and non-hydroxy fatty acid-containing ceramides and diglycerides.

AlphaFold DB , UniProt , Accession A0A087XLC7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 545 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
1M46.5Very low58.9Low243 Ų243114.5 Ų114.5100%1.19763%0.627SS**  099.40-85.2164.363.400107.9
2L49.2Very low58.7Low177 Ų177109 Ų10993%0.92760%0.603SS**PPolyproline II helixtrans-83.2118.6176.3-75152000107.2
3L52.1Low58.4Low115 Ų115111.9 Ų111.960%0.60261%0.606SS**PPolyproline II helixtrans-61.3135.2172-83.5148.5000108.7S5 L7L3-S5 PolarHBondContact O-N 3.46Å; L3-L7 HydrophobicContact CD2-CD2 3.68Å
4P72.6Confident57.7Low76 Ų76112.7 Ų112.749%0.49461%0.609SS.*PPolyproline II helixtrans-60.9137.6-178.821.6-28.9000110.2S6 L7P4-S6 PolarHBondContact O-N 3.43Å; P4-L7 HydrophobicContact CG-CB 4.33Å; P4-L7 WeakPolarHBondContact O-CB 3.36Å; P4-L7 PolarHBondContact O-N 3.03Å
5S63.8Low57.2Low90 Ų90112.9 Ų112.963%0.62962%0.616SS**Hα-helixtrans-53.7-27-176.711.50000113.5L3 L7 L8 L9L3-S5 PolarHBondContact O-N 3.46Å; S5-L7 VanDerWaalsContact C-N 3.34Å; S5-L8 PolarHBondContact O-N 3.08Å; S5-L9 PolarHBondContact O-N 2.83Å
6S62.9Low56.4Low77 Ų77118 Ų11854%0.53862%0.623SS.*Hα-helixtrans-64.9-34.9173.7-23.40000112.9P4 I10P4-S6 PolarHBondContact O-N 3.43Å; S6-I10 WeakPolarHBondContact O-CD1 3.38Å; S6-I10 VanDerWaalsContact O-CG1 3.28Å; S6-I10 WeakPolarHBondContact O-CG1 3.28Å; S6-I10 PolarHBondContact O-N 2.86Å; S6-I10 VanDerWaalsContact O-N 3.08Å
7L60.8Low55.6Low80 Ų80116.5 Ų116.542%0.41962%0.624SS.*Hα-helixtrans-73.7-34.5178.8-132.392.3000111.6L3 P4 S5 I10 L11L3-L7 HydrophobicContact CD2-CD2 3.68Å; P4-L7 HydrophobicContact CG-CB 4.33Å; P4-L7 WeakPolarHBondContact O-CB 3.36Å; P4-L7 PolarHBondContact O-N 3.03Å; S5-L7 VanDerWaalsContact C-N 3.34Å; L7-I10 PolarHBondContact O-N 3.43Å; L7-L11 VanDerWaalsContact O-CB 3.3Å; L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 WeakPolarHBondContact O-CD1 3.43Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 3.17Å
8L60.1Low55.1Low110 Ų110115.4 Ų115.458%0.57663%0.625SS**Hα-helixtrans-66.3-38.5173.5-86.5156.2000111.8S5 S12S5-L8 PolarHBondContact O-N 3.08Å; L8-S12 WeakPolarHBondContact O-CB 3.49Å; L8-S12 PolarHBondContact O-N 3.33Å; L8-S12 PolarHBondContact O-OG 3.32Å
9L61.7Low54.7Low101 Ų101115.1 Ų115.153%0.52963%0.632SS.*Hα-helixtrans-64-46.7172.4-95.6148.4000111.6S5 L11 S12 F13S5-L9 PolarHBondContact O-N 2.83Å; L9-L11 PolarHBondContact O-N 3.17Å; L9-S12 WeakPolarHBondContact CA-OG 3.41Å; L9-S12 PolarHBondContact O-N 3.49Å; L9-S12 PolarHBondContact O-OG 2.91Å; L9-F13 HydrophobicContact CD2-CE2 4.19Å; L9-F13 VanDerWaalsContact O-CD2 3.32Å; L9-F13 WeakPolarHBondContact O-CD2 3.3Å; L9-F13 PolarHBondContact O-N 3.37Å
10I61.4Low54.3Low99 Ų99113.7 Ų113.751%0.50864%0.637SS.*Hα-helixtrans-65.4-40.2178.2-66.5164.6000111.5S6 L7 S12 F13 L14S6-I10 WeakPolarHBondContact O-CD1 3.38Å; S6-I10 VanDerWaalsContact O-CG1 3.28Å; S6-I10 WeakPolarHBondContact O-CG1 3.28Å; S6-I10 PolarHBondContact O-N 2.86Å; S6-I10 VanDerWaalsContact O-N 3.08Å; L7-I10 PolarHBondContact O-N 3.43Å; I10-S12 VanDerWaalsContact C-N 3.34Å; I10-F13 PolarHBondContact O-N 2.66Å; I10-L14 HydrophobicContact CG2-CD1 3.8Å; I10-L14 WeakPolarHBondContact O-CB 3.46Å; I10-L14 PolarHBondContact O-N 2.86Å
11L56.5Low54.2Low91 Ų91112.6 Ų112.648%0.47663%0.633SS.*Hα-helixtrans-63.4-38.6172.4-85.9155.7000111.7L7 L9 L14 T15L7-L11 VanDerWaalsContact O-CB 3.3Å; L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 WeakPolarHBondContact O-CD1 3.43Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 3.17Å; L9-L11 PolarHBondContact O-N 3.17Å; L11-L14 PolarHBondContact O-N 3.02Å; L11-T15 WeakPolarHBondContact O-CG2 3.26Å; L11-T15 PolarHBondContact O-N 2.89Å; L11-T15 PolarHBondContact O-OG1 3.3Å
12S56.9Low55.2Low49 Ų49109.3 Ų109.334%0.34361%0.607SS.*Hα-helixtrans-66.2-35.3175.671.10000112.9L8 L9 I10 T15 W16L8-S12 WeakPolarHBondContact O-CB 3.49Å; L8-S12 PolarHBondContact O-N 3.33Å; L8-S12 PolarHBondContact O-OG 3.32Å; L9-S12 WeakPolarHBondContact CA-OG 3.41Å; L9-S12 PolarHBondContact O-N 3.49Å; L9-S12 PolarHBondContact O-OG 2.91Å; I10-S12 VanDerWaalsContact C-N 3.34Å; S12-T15 WeakPolarHBondContact CA-OG1 3.45Å; S12-T15 PolarHBondContact O-OG1 3.46Å; S12-T15 VanDerWaalsContact O-OG1 3.07Å; S12-W16 VanDerWaalsContact O-CB 3.26Å; S12-W16 WeakPolarHBondContact O-CB 3.32Å; S12-W16 PolarHBondContact O-N 3.07Å
13F54.8Low57Low147 Ų147104 Ų10465%0.64559%0.589SS**Hα-helixtrans-74-31.8173-86.4-76.9000113L9 I10 W16L9-F13 HydrophobicContact CD2-CE2 4.19Å; L9-F13 VanDerWaalsContact O-CD2 3.32Å; L9-F13 WeakPolarHBondContact O-CD2 3.3Å; L9-F13 PolarHBondContact O-N 3.37Å; I10-F13 PolarHBondContact O-N 2.66Å; F13-W16 CarbonylContact O-C 3.46Å; F13-W16 PolarHBondContact O-N 2.96Å
14L49.4Very low59Low123 Ų12398.7 Ų98.764%0.64456%0.562SS**Hα-helixtrans-74-31.7173.8-82.2156.2000112.7I10 L11I10-L14 HydrophobicContact CG2-CD1 3.8Å; I10-L14 WeakPolarHBondContact O-CB 3.46Å; I10-L14 PolarHBondContact O-N 2.86Å; L11-L14 PolarHBondContact O-N 3.02Å
15T49.5Very low60.2Low116 Ų11697.3 Ų97.371%0.71255%0.548SS*.Hα-helixtrans-80.5-17.9171.954.50000113.1L11 S12 S17L11-T15 WeakPolarHBondContact O-CG2 3.26Å; L11-T15 PolarHBondContact O-N 2.89Å; L11-T15 PolarHBondContact O-OG1 3.3Å; S12-T15 WeakPolarHBondContact CA-OG1 3.45Å; S12-T15 PolarHBondContact O-OG1 3.46Å; S12-T15 VanDerWaalsContact O-OG1 3.07Å; T15-S17 VanDerWaalsContact C-N 3.29Å; T15-S17 PolarHBondContact O-N 3.02Å
16W44.3Very low61.9Low194 Ų19493 Ų9374%0.73552%0.518SS*.  trans-96.258.6171.3-147.6-15.9000109.4S12 F13 P18S12-W16 VanDerWaalsContact O-CB 3.26Å; S12-W16 WeakPolarHBondContact O-CB 3.32Å; S12-W16 PolarHBondContact O-N 3.07Å; F13-W16 CarbonylContact O-C 3.46Å; F13-W16 PolarHBondContact O-N 2.96Å; W16-P18 WeakPolarHBondContact O-CD 3.39Å
17S42.7Very low63.5Low92 Ų9289.4 Ų89.464%0.64349%0.493SS*.  trans-68.1106.9147.7-64.20000104.4T15 S19T15-S17 VanDerWaalsContact C-N 3.29Å; T15-S17 PolarHBondContact O-N 3.02Å; S17-S19 PolarHBondContact O-N 3.2Å
18P47.3Very low65.3Low97 Ų9785.7 Ų85.763%0.6347%0.473SS*.  trans-51.2124.415923.4-29.4000103.9W16 A20W16-P18 WeakPolarHBondContact O-CD 3.39Å; P18-A20 PolarHBondContact O-N 3.28Å
19S46.3Very low66.9Low109 Ų10980.7 Ų80.776%0.76245%0.447SS*.  trans-46.3105165.9-66.20000104.4S17 T21S17-S19 PolarHBondContact O-N 3.2Å; S19-T21 PolarHBondContact O-N 3.09Å
20A46.6Very low68.3Low88 Ų8876 Ų7673%0.72742%0.423SS*.  trans-6693-177.100000103.8P18 R22P18-A20 PolarHBondContact O-N 3.28Å; A20-R22 PolarHBondContact O-N 3.48Å
21T53.9Low69.8Low91 Ų9171.3 Ų71.356%0.55840%0.399SS*.  trans-64.2101.6173.141.80000103S19 A23S19-T21 PolarHBondContact O-N 3.09Å; T21-A23 PolarHBondContact O-N 3.31Å
22R67.1Low71.4Confident174 Ų17467.6 Ų67.666%0.65738%0.38SS*.  trans-65.396.7179-165.5174.1174.4171.9-1.6105.3A20 G24A20-R22 PolarHBondContact O-N 3.48Å; R22-G24 PolarHBondContact O-N 3.43Å
23A87.4Confident72.9Confident66 Ų6665.6 Ų65.655%0.54537%0.365SS..  trans-55.9107.8175.100000107.4T21 G52T21-A23 PolarHBondContact O-N 3.31Å; A23-G52 WeakPolarHBondContact CB-O 3.49Å
24G94.3Very high74.4Confident3 Ų360.6 Ų60.63%0.03134%0.343CS..  trans-97.2140.5-178.900000110.7R22 H53 E54 D136R22-G24 PolarHBondContact O-N 3.43Å; G24-H53 PolarHBondContact N-ND1 2.95Å; G24-H53 WeakPolarHBondContact O-CA 3.49Å; G24-H53 WeakPolarHBondContact O-CB 3.49Å; G24-H53 PolarHBondContact O-ND1 3.4Å; G24-E54 PolarHBondContact O-N 3.04Å; G24-E54 VanDerWaalsContact O-N 3.09Å; G24-D136 WeakPolarHBondContact CA-OD2 3.49Å
25K97.1Very high76.1Confident47 Ų4757.7 Ų57.720%0.20433%0.326CS..EExtended strand (participates in β ladder)trans-92110.9173.2-164179-172.9171.60110E54 H56 A133 F135 D136K25-E54 CarbonylContact C-O 3.59Å; K25-E54 WeakPolarHBondContact CA-O 3.44Å; K25-E54 WeakPolarHBondContact CE-OE2 3.4Å; K25-E54 HydrophobicContact CG-CB 4.21Å; K25-E54 HydrophobicContact CG-CG 4.3Å; K25-H56 WeakPolarHBondContact CE-NE2 3.41Å; K25-A133 WeakPolarHBondContact CD-O 3.37Å; K25-A133 PolarHBondContact NZ-O 3.2Å; K25-F135 HydrophobicContact CB-CD1 4.48Å; K25-F135 HydrophobicContact CD-CD1 4.12Å; K25-F135 HydrophobicContact CD-CE1 4.21Å; K25-F135 HydrophobicContact CG-CD1 3.78Å; K25-F135 HydrophobicContact CG-CE1 4.05Å; K25-D136 PolarHBondContact N-OD2 3.27Å; K25-D136 PolarHBondContact O-N 3.37Å
26I98.1Very high77.9Confident0 Ų054.1 Ų54.10%031%0.306CS..EExtended strand (participates in β ladder)trans-113.3130.2-168.3-56.8165.9000109L48 H53 E54 T55 H56 L137 L139 I451 L455I26-L48 HydrophobicContact CD1-CD1 3.93Å; I26-L48 HydrophobicContact CD1-CD2 3.92Å; I26-L48 HydrophobicContact CD1-CG 4.49Å; I26-H53 HydrophobicContact CD1-CB 4.01Å; I26-E54 PolarHBondContact N-O 2.81Å; I26-T55 CarbonylContact O-C 3.56Å; I26-T55 WeakPolarHBondContact O-CA 3.47Å; I26-H56 PolarHBondContact O-N 3.26Å; I26-L137 WeakPolarHBondContact CA-O 3.5Å; I26-L137 HydrophobicContact CG1-CB 4.36Å; I26-L139 HydrophobicContact CG2-CD1 4.09Å; I26-L139 HydrophobicContact CG2-CG 3.87Å; I26-I451 HydrophobicContact CD1-CG2 3.62Å; I26-L455 HydrophobicContact CD1-CD1 4.48Å
27I98.1Very high80.1Confident0 Ų046.1 Ų46.10%028%0.276CS..EExtended strand (participates in β ladder)trans-108.6138.6171.1-173.3167.8000110.8H56 L58 L130 F135 L137 L138 L139I27-H56 CarbonylContact C-O 3.15Å; I27-H56 WeakPolarHBondContact CA-O 3.36Å; I27-H56 HydrophobicContact CB-CB 4.44Å; I27-H56 HydrophobicContact CG1-CB 4.31Å; I27-L58 HydrophobicContact CD1-CB 4.25Å; I27-L130 HydrophobicContact CD1-CD2 3.59Å; I27-F135 HydrophobicContact CB-CD1 3.65Å; I27-F135 HydrophobicContact CB-CD2 4.06Å; I27-F135 HydrophobicContact CB-CE1 3.74Å; I27-F135 HydrophobicContact CB-CE2 4.11Å; I27-F135 HydrophobicContact CB-CG 3.83Å; I27-F135 HydrophobicContact CB-CZ 3.98Å; I27-F135 HydrophobicContact CD1-CD2 4.17Å; I27-F135 HydrophobicContact CD1-CE1 4.35Å; I27-F135 HydrophobicContact CD1-CE2 3.58Å; I27-F135 HydrophobicContact CD1-CZ 3.7Å; I27-F135 HydrophobicContact CG1-CE1 4.44Å; I27-F135 HydrophobicContact CG1-CE2 4.42Å; I27-F135 HydrophobicContact CG1-CZ 4.27Å; I27-F135 HydrophobicContact CG2-CB 3.97Å; I27-F135 HydrophobicContact CG2-CD1 3.95Å; I27-F135 HydrophobicContact CG2-CD2 3.76Å; I27-F135 HydrophobicContact CG2-CE1 4.44Å; I27-F135 HydrophobicContact CG2-CE2 4.24Å; I27-F135 HydrophobicContact CG2-CG 3.6Å; I27-L137 PolarHBondContact N-O 3.49Å; I27-L138 HydrophobicContact CG2-CB 3.9Å; I27-L138 HydrophobicContact CG2-CD1 3.77Å; I27-L138 HydrophobicContact CG2-CG 3.74Å; I27-L138 CarbonylContact O-C 3.51Å; I27-L138 VanDerWaalsContact O-CA 3.28Å; I27-L138 WeakPolarHBondContact O-CA 3.36Å; I27-L139 PolarHBondContact O-N 3.06Å
28V97.3Very high82.4Confident2 Ų241.7 Ų41.71%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-118.8137.3176.1-170.80000108.7P30 F41 T55 H56 F57 L58 L139V28-P30 WeakPolarHBondContact O-CD 2.99Å; V28-F41 HydrophobicContact CG1-CB 4.39Å; V28-F41 HydrophobicContact CG1-CD1 3.43Å; V28-F41 VanDerWaalsContact CG1-CD1 3.43Å; V28-F41 HydrophobicContact CG1-CD2 4.05Å; V28-F41 HydrophobicContact CG1-CE1 3.55Å; V28-F41 HydrophobicContact CG1-CE2 4.15Å; V28-F41 HydrophobicContact CG1-CG 3.7Å; V28-F41 HydrophobicContact CG1-CZ 3.91Å; V28-T55 HydrophobicContact CG2-CG2 4.15Å; V28-H56 PolarHBondContact N-O 3.32Å; V28-F57 HydrophobicContact CB-CD1 3.81Å; V28-F57 HydrophobicContact CB-CE1 4.13Å; V28-F57 HydrophobicContact CG2-CD1 4.03Å; V28-F57 HydrophobicContact CG2-CE1 3.96Å; V28-L58 PolarHBondContact O-N 3.28Å; V28-L139 HydrophobicContact CG1-CB 4.3Å; V28-L139 HydrophobicContact CG2-CB 4.13Å; V28-L139 HydrophobicContact CG2-CD1 4.11Å; V28-L139 HydrophobicContact CG2-CG 4.41Å
29V94.1Very high84.5Confident5 Ų542.8 Ų42.83%0.0324%0.238CC..EExtended strand (participates in β ladder)trans-107.987.1171.9-170.30000108.2L58 L138 L139 E144 I150V29-L58 HydrophobicContact CG1-CD2 4.48Å; V29-L58 HydrophobicContact CG2-CB 4.31Å; V29-L58 HydrophobicContact CG2-CD2 4.17Å; V29-L138 HydrophobicContact CG2-CD1 4.35Å; V29-L138 HydrophobicContact CG2-CD2 4.37Å; V29-L139 PolarHBondContact N-O 3.36Å; V29-E144 HydrophobicContact CG1-CG 3.76Å; V29-I150 HydrophobicContact CG2-CD1 4.18Å
30P92.4Very high86.8Confident2 Ų237.6 Ų37.61%0.01320%0.202CC..  trans-71.9149.5-179.730.2-36.1000111.3V28 L38 F41 L58 V59V28-P30 WeakPolarHBondContact O-CD 2.99Å; P30-L38 HydrophobicContact CB-CD1 4.21Å; P30-L38 HydrophobicContact CG-CD1 4.21Å; P30-F41 HydrophobicContact CB-CD2 3.89Å; P30-F41 HydrophobicContact CB-CE2 4.25Å; P30-L58 WeakPolarHBondContact CD-O 3.48Å; P30-V59 HydrophobicContact CG-CG1 3.8Å
31P91.4Very high89.1Confident1 Ų133.4 Ų33.41%0.00617%0.167CC..  trans-57.4139.4175.1-26.936.4000113M33 H37 R63 Y113 D141 N143 E144P31-M33 VanDerWaalsContact C-N 3.34Å; P31-M33 PolarHBondContact O-N 2.69Å; P31-H37 HydrophobicContact CG-CB 4.15Å; P31-R63 PolarHBondContact O-NH1 2.99Å; P31-Y113 HydrophobicContact CB-CE1 3.97Å; P31-D141 WeakPolarHBondContact CD-OD2 3.42Å; P31-D141 HydrophobicContact CG-CB 3.94Å; P31-D141 VanDerWaalsContact CG-CG 3.49Å; P31-D141 WeakPolarHBondContact CG-OD2 3.12Å; P31-N143 HydrophobicContact CG-CB 4.39Å; P31-E144 HydrophobicContact CB-CB 4.39Å; P31-E144 HydrophobicContact CG-CB 4.17Å
32I90.5Very high91.1Very high14 Ų1430.4 Ų30.47%0.07215%0.146CC..SBendtrans-73.7-17.9-170.865.3-176.7000115.5Y76 I79 F80 Y113 N116I32-Y76 WeakPolarHBondContact CG2-OH 3.48Å; I32-I79 HydrophobicContact CD1-CD1 4.04Å; I32-I79 HydrophobicContact CD1-CG1 4.21Å; I32-F80 HydrophobicContact CD1-CD2 4Å; I32-F80 HydrophobicContact CD1-CE2 4.37Å; I32-F80 HydrophobicContact CG1-CD2 4.31Å; I32-Y113 HydrophobicContact CD1-CD1 4.18Å; I32-Y113 HydrophobicContact CG1-CD1 3.99Å; I32-Y113 HydrophobicContact CG1-CE1 3.86Å; I32-N116 HydrophobicContact CD1-CB 3.53Å; I32-N116 VanDerWaalsContact CG2-ND2 3.3Å; I32-N116 WeakPolarHBondContact CG2-ND2 3.41Å
33M88Confident92.5Very high7 Ų724.5 Ų24.53%0.03413%0.129CC..SBendtrans-106.9-33.5-170.6-83.3169.3-82.700114P31 F80 F88 L89 I109 H112 Y113P31-M33 VanDerWaalsContact C-N 3.34Å; P31-M33 PolarHBondContact O-N 2.69Å; M33-F80 HydrophobicContact CG-CD2 4.18Å; M33-F80 HydrophobicContact CG-CE2 4.01Å; M33-F80 HydrophobicContact SD-CE2 4.07Å; M33-F88 HydrophobicContact CG-CD1 4.48Å; M33-F88 HydrophobicContact SD-CD1 3.64Å; M33-F88 HydrophobicContact SD-CE1 3.53Å; M33-F88 VanDerWaalsContact SD-CE1 3.53Å; M33-L89 HydrophobicContact CB-CD1 4.04Å; M33-L89 HydrophobicContact CB-CD2 4.14Å; M33-L89 HydrophobicContact CB-CG 4.16Å; M33-L89 HydrophobicContact CG-CD2 4.43Å; M33-L89 HydrophobicContact CG-CG 4.46Å; M33-L89 WeakPolarHBondContact O-CD1 3.49Å; M33-L89 HydrophobicContact SD-CD2 4.26Å; M33-I109 HydrophobicContact CE-CG2 3.79Å; M33-I109 HydrophobicContact SD-CG1 4.49Å; M33-I109 HydrophobicContact SD-CG2 4.17Å; M33-H112 HydrophobicContact CE-CB 4.15Å; M33-Y113 HydrophobicContact CE-CD1 3.95Å; M33-Y113 HydrophobicContact CE-CD2 4.05Å; M33-Y113 HydrophobicContact CE-CE1 3.68Å; M33-Y113 HydrophobicContact CE-CE2 3.8Å; M33-Y113 HydrophobicContact CE-CG 4.13Å
34F85.9Confident92.9Very high42 Ų4221.4 Ų21.418%0.18410%0.104CC..  trans-105.1112.7-167.6-60.7-77.5000112.8S36 H37 R63 L89 Y113F34-S36 VanDerWaalsContact C-N 3.31Å; F34-S36 PolarHBondContact O-N 2.88Å; F34-H37 HydrophobicContact CB-CB 4.49Å; F34-H37 VanDerWaalsContact CB-CD2 3.47Å; F34-H37 WeakPolarHBondContact CB-CD2 3.43Å; F34-H37 PolarHBondContact O-N 2.99Å; F34-R63 PolarHBondContact O-NH2 3.01Å; F34-L89 HydrophobicContact CD1-CD1 3.78Å; F34-L89 HydrophobicContact CD1-CD2 4.46Å; F34-L89 HydrophobicContact CE1-CD1 3.74Å; F34-L89 HydrophobicContact CE1-CD2 3.64Å; F34-L89 HydrophobicContact CE1-CG 4.36Å; F34-L89 HydrophobicContact CE2-CD2 4.43Å; F34-L89 HydrophobicContact CG-CD1 4.48Å; F34-L89 HydrophobicContact CZ-CD1 4.41Å; F34-L89 HydrophobicContact CZ-CD2 3.62Å; F34-Y113 WeakPolarHBondContact CD2-OH 3.48Å; F34-Y113 WeakPolarHBondContact CE2-OH 3.34Å
35E86.1Confident93Very high61 Ų6121.3 Ų21.329%0.28510%0.103SC..Hα-helixtrans-65.8-30.8177.1-76.2-56.2118.800113.5H37 L38 Y39 R63E35-H37 PolarHBondContact O-N 3.47Å; E35-L38 WeakPolarHBondContact O-CB 3.48Å; E35-L38 PolarHBondContact O-N 3.03Å; E35-L38 VanDerWaalsContact O-N 3.08Å; E35-Y39 HydrophobicContact CB-CE2 4.47Å; E35-Y39 WeakPolarHBondContact O-CD2 3.29Å; E35-Y39 PolarHBondContact O-N 3.29Å; E35-R63 IonicContact OE1-CZ 3.38Å; E35-R63 IonicContact OE1-NE 3.22Å; E35-R63 PolarHBondContact OE1-NE 3.47Å; E35-R63 IonicContact OE1-NH2 2.61Å; E35-R63 PolarHBondContact OE1-NH2 2.98Å
36S86.8Confident93Very high41 Ų4121 Ų2129%0.28711%0.105SC..Hα-helixtrans-57.6-36.2175.447.50000112.8F34 Y39 I40F34-S36 VanDerWaalsContact C-N 3.31Å; F34-S36 PolarHBondContact O-N 2.88Å; S36-Y39 PolarHBondContact O-N 2.93Å; S36-I40 PolarHBondContact O-N 2.97Å
37H90.4Very high93Very high26 Ų2621.7 Ų21.712%0.1211%0.11CC..Hα-helixtrans-70.6-38.5177.7-67.4-131.1000110.7P31 F34 E35 Y39 I40 F41 D141 T163P31-H37 HydrophobicContact CG-CB 4.15Å; F34-H37 HydrophobicContact CB-CB 4.49Å; F34-H37 VanDerWaalsContact CB-CD2 3.47Å; F34-H37 WeakPolarHBondContact CB-CD2 3.43Å; F34-H37 PolarHBondContact O-N 2.99Å; E35-H37 PolarHBondContact O-N 3.47Å; H37-Y39 VanDerWaalsContact C-N 3.32Å; H37-Y39 PolarHBondContact O-N 2.99Å; H37-I40 WeakPolarHBondContact O-CB 3.3Å; H37-I40 PolarHBondContact O-N 3.35Å; H37-F41 VanDerWaalsContact O-CD2 3.23Å; H37-F41 WeakPolarHBondContact O-CD2 3.43Å; H37-F41 PolarHBondContact O-N 3.02Å; H37-D141 IonicContact ND1-OD2 3.95Å; H37-D141 PolarHBondContact ND1-OD2 3.46Å; H37-T163 HydrophobicContact CB-CG2 4.5Å; H37-T163 PolarHBondContact CE1-OG1 3.17Å; H37-T163 WeakPolarHBondContact ND1-CB 3.31Å; H37-T163 PolarHBondContact ND1-OG1 2.68Å
38L91.6Very high92.9Very high0 Ų021.7 Ų21.70%011%0.11CC..Hα-helixtrans-65.2-35.1176.8-17761.9000112P30 E35 I40 F41 K42 F57 V65P30-L38 HydrophobicContact CB-CD1 4.21Å; P30-L38 HydrophobicContact CG-CD1 4.21Å; E35-L38 WeakPolarHBondContact O-CB 3.48Å; E35-L38 PolarHBondContact O-N 3.03Å; E35-L38 VanDerWaalsContact O-N 3.08Å; L38-I40 VanDerWaalsContact C-N 3.31Å; L38-I40 PolarHBondContact O-N 3.46Å; L38-F41 PolarHBondContact O-N 3.41Å; L38-K42 HydrophobicContact CD1-CG 4.49Å; L38-K42 HydrophobicContact CG-CD 4.18Å; L38-K42 HydrophobicContact CG-CG 4.38Å; L38-K42 WeakPolarHBondContact O-CG 3.44Å; L38-K42 PolarHBondContact O-N 3.15Å; L38-F57 HydrophobicContact CD1-CD2 4.16Å; L38-F57 HydrophobicContact CD1-CE2 4.25Å; L38-V65 HydrophobicContact CD2-CG1 4.39Å; L38-V65 HydrophobicContact CD2-CG2 3.91Å
39Y91.8Very high92.9Very high119 Ų11925.3 Ų25.347%0.46713%0.127SC..Hα-helixtrans-61.9-37.5174.6-69.5-51000113E35 S36 H37 K42 T43E35-Y39 HydrophobicContact CB-CE2 4.47Å; E35-Y39 WeakPolarHBondContact O-CD2 3.29Å; E35-Y39 PolarHBondContact O-N 3.29Å; S36-Y39 PolarHBondContact O-N 2.93Å; H37-Y39 VanDerWaalsContact C-N 3.32Å; H37-Y39 PolarHBondContact O-N 2.99Å; Y39-K42 HydrophobicContact CD1-CD 4.36Å; Y39-K42 PolarHBondContact O-N 2.98Å; Y39-T43 WeakPolarHBondContact O-CB 3.32Å; Y39-T43 PolarHBondContact O-N 3.41Å; Y39-T43 PolarHBondContact O-OG1 2.68Å
40I93.9Very high92.9Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-60.5-49.3174.7-64.7173000109.8S36 H37 L38 K42 T43 L44 F161 T163 I267 L268S36-I40 PolarHBondContact O-N 2.97Å; H37-I40 WeakPolarHBondContact O-CB 3.3Å; H37-I40 PolarHBondContact O-N 3.35Å; L38-I40 VanDerWaalsContact C-N 3.31Å; L38-I40 PolarHBondContact O-N 3.46Å; I40-K42 PolarHBondContact O-N 3.41Å; I40-T43 WeakPolarHBondContact O-CB 3.3Å; I40-T43 PolarHBondContact O-N 2.98Å; I40-L44 PolarHBondContact O-N 2.85Å; I40-F161 HydrophobicContact CG2-CD1 4.45Å; I40-F161 HydrophobicContact CG2-CE1 3.43Å; I40-F161 VanDerWaalsContact CG2-CE1 3.43Å; I40-F161 HydrophobicContact CG2-CZ 3.9Å; I40-T163 HydrophobicContact CD1-CG2 3.95Å; I40-T163 HydrophobicContact CG2-CG2 4.27Å; I40-I267 HydrophobicContact CG2-CB 4.27Å; I40-I267 HydrophobicContact CG2-CG1 4.38Å; I40-I267 HydrophobicContact CG2-CG2 3.85Å; I40-L268 HydrophobicContact CG1-CD1 4.05Å; I40-L268 HydrophobicContact CG1-CD2 4.38Å; I40-L268 HydrophobicContact CG1-CG 4.12Å
41F95.3Very high93Very high0 Ų036.7 Ų36.70%018%0.18CC..Hα-helixtrans-67.7-35.6179.5-68.5-59.5000113.5V28 P30 H37 L38 T43 L44 A45 F57 D141 F161 T163V28-F41 HydrophobicContact CG1-CB 4.39Å; V28-F41 HydrophobicContact CG1-CD1 3.43Å; V28-F41 VanDerWaalsContact CG1-CD1 3.43Å; V28-F41 HydrophobicContact CG1-CD2 4.05Å; V28-F41 HydrophobicContact CG1-CE1 3.55Å; V28-F41 HydrophobicContact CG1-CE2 4.15Å; V28-F41 HydrophobicContact CG1-CG 3.7Å; V28-F41 HydrophobicContact CG1-CZ 3.91Å; P30-F41 HydrophobicContact CB-CD2 3.89Å; P30-F41 HydrophobicContact CB-CE2 4.25Å; H37-F41 VanDerWaalsContact O-CD2 3.23Å; H37-F41 WeakPolarHBondContact O-CD2 3.43Å; H37-F41 PolarHBondContact O-N 3.02Å; L38-F41 PolarHBondContact O-N 3.41Å; F41-T43 VanDerWaalsContact C-N 3.33Å; F41-T43 PolarHBondContact O-N 2.86Å; F41-L44 HydrophobicContact CD1-CD2 4.45Å; F41-L44 PolarHBondContact O-N 3.49Å; F41-A45 VanDerWaalsContact O-CB 3.31Å; F41-A45 WeakPolarHBondContact O-CB 3.44Å; F41-A45 PolarHBondContact O-N 2.9Å; F41-F57 HydrophobicContact CB-CE1 3.99Å; F41-F57 HydrophobicContact CB-CZ 4.01Å; F41-F57 WeakPolarHBondContact O-CZ 3.49Å; F41-D141 HydrophobicContact CE2-CB 4.24Å; F41-D141 HydrophobicContact CZ-CB 4.04Å; F41-F161 HydrophobicContact CE1-CB 3.97Å; F41-F161 AromaticContact CE1-CD1 3.67Å; F41-F161 HydrophobicContact CE1-CD1 3.67Å; F41-F161 HydrophobicContact CE1-CE1 4.34Å; F41-F161 AromaticContact CE1-CG 3.83Å; F41-F161 HydrophobicContact CE1-CG 3.83Å; F41-F161 HydrophobicContact CZ-CB 4.37Å; F41-F161 HydrophobicContact CZ-CD1 4.05Å; F41-F161 HydrophobicContact CZ-CG 4.45Å; F41-T163 HydrophobicContact CE2-CG2 3.91Å; F41-T163 HydrophobicContact CZ-CG2 3.9Å
42K95.6Very high93.2Very high29 Ų2938.7 Ų38.713%0.12620%0.201CC..Hα-helixtrans-61.5-41.7172.4-76.1171.8173.9165.90111.9L38 Y39 I40 A45 T46 F57 Y71L38-K42 HydrophobicContact CD1-CG 4.49Å; L38-K42 HydrophobicContact CG-CD 4.18Å; L38-K42 HydrophobicContact CG-CG 4.38Å; L38-K42 WeakPolarHBondContact O-CG 3.44Å; L38-K42 PolarHBondContact O-N 3.15Å; Y39-K42 HydrophobicContact CD1-CD 4.36Å; Y39-K42 PolarHBondContact O-N 2.98Å; I40-K42 PolarHBondContact O-N 3.41Å; K42-A45 PolarHBondContact O-N 2.97Å; K42-T46 PolarHBondContact O-N 3.31Å; K42-T46 PolarHBondContact O-OG1 2.88Å; K42-F57 HydrophobicContact CG-CE2 3.92Å; K42-F57 HydrophobicContact CG-CZ 4.45Å; K42-Y71 HydrophobicContact CB-CE1 4.47Å; K42-Y71 HydrophobicContact CG-CE1 3.89Å
43T95.7Very high93.4Very high49 Ų4938.7 Ų38.730%0.30120%0.201SC..Hα-helixtrans-63.2-46175.9-56.90000110.6Y39 I40 F41 T46 A47 I267 L268 V444Y39-T43 WeakPolarHBondContact O-CB 3.32Å; Y39-T43 PolarHBondContact O-N 3.41Å; Y39-T43 PolarHBondContact O-OG1 2.68Å; I40-T43 WeakPolarHBondContact O-CB 3.3Å; I40-T43 PolarHBondContact O-N 2.98Å; F41-T43 VanDerWaalsContact C-N 3.33Å; F41-T43 PolarHBondContact O-N 2.86Å; T43-T46 PolarHBondContact O-N 3.41Å; T43-A47 PolarHBondContact O-N 3.35Å; T43-I267 HydrophobicContact CG2-CG2 4.11Å; T43-L268 HydrophobicContact CG2-CD2 4.44Å; T43-L268 VanDerWaalsContact OG1-CD2 3.22Å; T43-L268 WeakPolarHBondContact OG1-CD2 3.33Å; T43-V444 HydrophobicContact CG2-CG2 3.91Å
44L96.8Very high93.9Very high1 Ų142 Ų421%0.00522%0.216CC..Hα-helixtrans-62.4-45.8175.9-178.666.1000112.3I40 F41 T46 A47 L48 L139 F161 A447 V448 I451I40-L44 PolarHBondContact O-N 2.85Å; F41-L44 HydrophobicContact CD1-CD2 4.45Å; F41-L44 PolarHBondContact O-N 3.49Å; L44-T46 VanDerWaalsContact C-N 3.27Å; L44-T46 PolarHBondContact O-N 2.86Å; L44-A47 PolarHBondContact O-N 2.91Å; L44-A47 VanDerWaalsContact O-N 3.12Å; L44-L48 HydrophobicContact CD1-CD1 4.37Å; L44-L48 HydrophobicContact CD1-CG 4.3Å; L44-L48 HydrophobicContact CD2-CD1 4.27Å; L44-L48 HydrophobicContact CG-CD1 3.83Å; L44-L48 HydrophobicContact CG-CG 4.21Å; L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 WeakPolarHBondContact O-CG 3.35Å; L44-L48 PolarHBondContact O-N 2.83Å; L44-L139 HydrophobicContact CD2-CD1 3.65Å; L44-F161 HydrophobicContact CD1-CE2 4.36Å; L44-F161 HydrophobicContact CD2-CD2 3.89Å; L44-F161 HydrophobicContact CD2-CE2 3.58Å; L44-F161 HydrophobicContact CD2-CZ 4.23Å; L44-F161 HydrophobicContact CG-CE2 4.49Å; L44-A447 HydrophobicContact CD1-CB 3.86Å; L44-V448 HydrophobicContact CD1-CG2 4.03Å; L44-I451 HydrophobicContact CD1-CD1 4.12Å; L44-I451 HydrophobicContact CD2-CD1 4.07Å; L44-I451 HydrophobicContact CG-CD1 4.5Å
45A97.1Very high94.4Very high1 Ų140.1 Ų40.11%0.00821%0.208CC..Hα-helixtrans-60-38.4179.200000112F41 K42 A47 L48 H49 T55 F57 Y71F41-A45 VanDerWaalsContact O-CB 3.31Å; F41-A45 WeakPolarHBondContact O-CB 3.44Å; F41-A45 PolarHBondContact O-N 2.9Å; K42-A45 PolarHBondContact O-N 2.97Å; A45-A47 PolarHBondContact O-N 3.26Å; A45-L48 PolarHBondContact O-N 3.47Å; A45-H49 VanDerWaalsContact O-CB 3.24Å; A45-H49 WeakPolarHBondContact O-CB 3.27Å; A45-H49 PolarHBondContact O-N 3.32Å; A45-T55 HydrophobicContact CB-CG2 3.76Å; A45-F57 HydrophobicContact CB-CE1 4.13Å; A45-F57 HydrophobicContact CB-CZ 3.66Å; A45-Y71 HydrophobicContact CB-CD1 4.14Å
46T96.9Very high95Very high42 Ų4237.6 Ų37.626%0.25820%0.196SC..Hα-helixtrans-60.2-45.2174.5-55.60000111.4K42 T43 L44 H49 Q50K42-T46 PolarHBondContact O-N 3.31Å; K42-T46 PolarHBondContact O-OG1 2.88Å; T43-T46 PolarHBondContact O-N 3.41Å; L44-T46 VanDerWaalsContact C-N 3.27Å; L44-T46 PolarHBondContact O-N 2.86Å; T46-H49 PolarHBondContact O-N 2.92Å; T46-Q50 WeakPolarHBondContact O-CG 3.49Å; T46-Q50 PolarHBondContact O-N 3.42Å
47A96.4Very high95.5Very high13 Ų1335.7 Ų35.711%0.10718%0.182CC..Hα-helixtrans-72.1-37.7178.600000112.9T43 L44 A45 H49 Q50 E51 V444 V448T43-A47 PolarHBondContact O-N 3.35Å; L44-A47 PolarHBondContact O-N 2.91Å; L44-A47 VanDerWaalsContact O-N 3.12Å; A45-A47 PolarHBondContact O-N 3.26Å; A47-H49 VanDerWaalsContact C-N 3.32Å; A47-H49 PolarHBondContact O-N 2.87Å; A47-Q50 WeakPolarHBondContact O-CB 3.46Å; A47-Q50 PolarHBondContact O-N 3.39Å; A47-E51 PolarHBondContact O-N 3.22Å; A47-V444 HydrophobicContact CB-CG1 3.28Å; A47-V448 HydrophobicContact CB-CG2 3.78Å
48L97.1Very high95.8Very high0 Ų034.6 Ų34.60%018%0.177CC..Hα-helixtrans-61.3-42.1173.5-77.4173.4000111.5I26 L44 A45 Q50 E51 G52 H53 V448 I451I26-L48 HydrophobicContact CD1-CD1 3.93Å; I26-L48 HydrophobicContact CD1-CD2 3.92Å; I26-L48 HydrophobicContact CD1-CG 4.49Å; L44-L48 HydrophobicContact CD1-CD1 4.37Å; L44-L48 HydrophobicContact CD1-CG 4.3Å; L44-L48 HydrophobicContact CD2-CD1 4.27Å; L44-L48 HydrophobicContact CG-CD1 3.83Å; L44-L48 HydrophobicContact CG-CG 4.21Å; L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 WeakPolarHBondContact O-CG 3.35Å; L44-L48 PolarHBondContact O-N 2.83Å; A45-L48 PolarHBondContact O-N 3.47Å; L48-Q50 VanDerWaalsContact C-N 3.32Å; L48-Q50 PolarHBondContact O-N 3.26Å; L48-E51 CarbonylContact O-C 3.53Å; L48-E51 PolarHBondContact O-N 2.86Å; L48-E51 VanDerWaalsContact O-N 3.14Å; L48-G52 PolarHBondContact O-N 3.25Å; L48-H53 HydrophobicContact CB-CB 4.02Å; L48-H53 HydrophobicContact CD2-CB 4.37Å; L48-H53 WeakPolarHBondContact O-CB 3.4Å; L48-H53 PolarHBondContact O-N 2.9Å; L48-V448 HydrophobicContact CD2-CB 4.46Å; L48-V448 HydrophobicContact CD2-CG1 4.23Å; L48-V448 HydrophobicContact CD2-CG2 4.02Å; L48-V448 HydrophobicContact CG-CG2 4.18Å; L48-I451 HydrophobicContact CD1-CD1 4.29Å; L48-I451 HydrophobicContact CD2-CB 4.4Å; L48-I451 HydrophobicContact CD2-CD1 4.11Å; L48-I451 HydrophobicContact CD2-CG2 3.92Å
49H96.6Very high96Very high78 Ų7834.7 Ų34.736%0.36118%0.178SC..Hα-helixtrans-61.9-38.4176.2179.782.5000112.4A45 T46 A47 E51 G52 P69 H70A45-H49 VanDerWaalsContact O-CB 3.24Å; A45-H49 WeakPolarHBondContact O-CB 3.27Å; A45-H49 PolarHBondContact O-N 3.32Å; T46-H49 PolarHBondContact O-N 2.92Å; A47-H49 VanDerWaalsContact C-N 3.32Å; A47-H49 PolarHBondContact O-N 2.87Å; H49-E51 PolarHBondContact O-N 3.27Å; H49-G52 PolarHBondContact O-N 2.96Å; H49-P69 PolarHBondContact CE1-O 2.99Å; H49-P69 PolarHBondContact ND1-O 3.47Å; H49-H70 HydrophobicContact CB-CB 4.18Å; H49-H70 AromaticContact CD2-ND1 3.25Å; H49-H70 PolarHBondContact CD2-ND1 3.5Å; H49-H70 AromaticContact CG-ND1 3.75Å; H49-H70 AromaticContact NE2-ND1 3.75Å
50Q95.3Very high96.1Very high145 Ų14529.5 Ų29.568%0.67816%0.159SC*.Hα-helixtrans-63.1-30.2175.3-71.5168.5-6.900112.8T46 A47 L48 G52T46-Q50 WeakPolarHBondContact O-CG 3.49Å; T46-Q50 PolarHBondContact O-N 3.42Å; A47-Q50 WeakPolarHBondContact O-CB 3.46Å; A47-Q50 PolarHBondContact O-N 3.39Å; L48-Q50 VanDerWaalsContact C-N 3.32Å; L48-Q50 PolarHBondContact O-N 3.26Å; Q50-G52 VanDerWaalsContact C-N 3.28Å
51E94Very high96.1Very high101 Ų10135 Ų3547%0.47219%0.185SC..THydrogen-bonded Turntrans-87.27173.3-66.5-63146.800113.3A47 L48 H49 V448A47-E51 PolarHBondContact O-N 3.22Å; L48-E51 CarbonylContact O-C 3.53Å; L48-E51 PolarHBondContact O-N 2.86Å; L48-E51 VanDerWaalsContact O-N 3.14Å; H49-E51 PolarHBondContact O-N 3.27Å; E51-V448 HydrophobicContact CB-CG1 4.24Å; E51-V448 HydrophobicContact CG-CG1 3.58Å
52G94.7Very high95.9Very high44 Ų4436.6 Ų36.645%0.45420%0.202SC..THydrogen-bonded Turntrans84.59.5176.700000115.5A23 L48 H49 Q50A23-G52 WeakPolarHBondContact CB-O 3.49Å; L48-G52 PolarHBondContact O-N 3.25Å; H49-G52 PolarHBondContact O-N 2.96Å; Q50-G52 VanDerWaalsContact C-N 3.28Å
53H96.3Very high95.8Very high14 Ų1435.8 Ų35.87%0.06520%0.198CC..  trans-78.8143175.2-65.3-75.3000112.2G24 I26 L48G24-H53 PolarHBondContact N-ND1 2.95Å; G24-H53 WeakPolarHBondContact O-CA 3.49Å; G24-H53 WeakPolarHBondContact O-CB 3.49Å; G24-H53 PolarHBondContact O-ND1 3.4Å; I26-H53 HydrophobicContact CD1-CB 4.01Å; L48-H53 HydrophobicContact CB-CB 4.02Å; L48-H53 HydrophobicContact CD2-CB 4.37Å; L48-H53 WeakPolarHBondContact O-CB 3.4Å; L48-H53 PolarHBondContact O-N 2.9Å
54E97.2Very high95.6Very high77 Ų7740.6 Ų40.636%0.3622%0.217SC..EExtended strand (participates in β ladder)trans-93.3115.8173.5-174.2-17417800108.9G24 K25 I26 H56 H72G24-E54 PolarHBondContact O-N 3.04Å; G24-E54 VanDerWaalsContact O-N 3.09Å; K25-E54 CarbonylContact C-O 3.59Å; K25-E54 WeakPolarHBondContact CA-O 3.44Å; K25-E54 WeakPolarHBondContact CE-OE2 3.4Å; K25-E54 HydrophobicContact CG-CB 4.21Å; K25-E54 HydrophobicContact CG-CG 4.3Å; I26-E54 PolarHBondContact N-O 2.81Å; E54-H56 IonicContact OE1-CE1 2.88Å; E54-H56 PolarHBondContact OE1-CE1 3.33Å; E54-H56 IonicContact OE1-NE2 2.94Å; E54-H56 PolarHBondContact OE1-NE2 3.04Å; E54-H72 IonicContact OE1-CD2 3.77Å
55T97.9Very high95.4Very high2 Ų241 Ų411%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-106.4134.3-177.7-55.70000111.5I26 V28 A45 F57 Y71 H72I26-T55 CarbonylContact O-C 3.56Å; I26-T55 WeakPolarHBondContact O-CA 3.47Å; V28-T55 HydrophobicContact CG2-CG2 4.15Å; A45-T55 HydrophobicContact CB-CG2 3.76Å; T55-F57 HydrophobicContact CG2-CD1 4.22Å; T55-F57 HydrophobicContact CG2-CE1 3.75Å; T55-Y71 CarbonylContact O-C 3.59Å; T55-Y71 VanDerWaalsContact O-CA 3.26Å; T55-Y71 WeakPolarHBondContact O-CA 3.41Å; T55-H72 PolarHBondContact O-N 2.94Å
56H97.9Very high95.2Very high8 Ų844.6 Ų44.64%0.03724%0.243CC..EExtended strand (participates in β ladder)trans-121137.4174.4-66.7-107.7000111.4K25 I26 I27 V28 E54 H72 Q74 F135K25-H56 WeakPolarHBondContact CE-NE2 3.41Å; I26-H56 PolarHBondContact O-N 3.26Å; I27-H56 CarbonylContact C-O 3.15Å; I27-H56 WeakPolarHBondContact CA-O 3.36Å; I27-H56 HydrophobicContact CB-CB 4.44Å; I27-H56 HydrophobicContact CG1-CB 4.31Å; V28-H56 PolarHBondContact N-O 3.32Å; E54-H56 IonicContact OE1-CE1 2.88Å; E54-H56 PolarHBondContact OE1-CE1 3.33Å; E54-H56 IonicContact OE1-NE2 2.94Å; E54-H56 PolarHBondContact OE1-NE2 3.04Å; H56-H72 CarbonylContact C-O 3.59Å; H56-H72 VanDerWaalsContact CA-O 3.3Å; H56-H72 WeakPolarHBondContact CA-O 3.2Å; H56-H72 AromaticContact CE1-CD2 3.99Å; H56-H72 AromaticContact CE1-CG 3.91Å; H56-H72 WeakPolarHBondContact ND1-CB 3.43Å; H56-Q74 HydrophobicContact CB-CG 4.2Å; H56-Q74 PolarHBondContact ND1-NE2 3.02Å; H56-F135 HydrophobicContact CB-CE1 3.88Å; H56-F135 HydrophobicContact CB-CZ 4.24Å; H56-F135 AromaticContact CD2-CE1 3.56Å; H56-F135 AromaticContact CG-CE1 3.66Å
57F97.6Very high94.9Very high0 Ų048.8 Ų48.80%027%0.271CS..EExtended strand (participates in β ladder)trans-104.4126.3169.6-59.8-26.7000110.5V28 L38 F41 K42 A45 T55 V59 Y71 H72 L73 Q74V28-F57 HydrophobicContact CB-CD1 3.81Å; V28-F57 HydrophobicContact CB-CE1 4.13Å; V28-F57 HydrophobicContact CG2-CD1 4.03Å; V28-F57 HydrophobicContact CG2-CE1 3.96Å; L38-F57 HydrophobicContact CD1-CD2 4.16Å; L38-F57 HydrophobicContact CD1-CE2 4.25Å; F41-F57 HydrophobicContact CB-CE1 3.99Å; F41-F57 HydrophobicContact CB-CZ 4.01Å; F41-F57 WeakPolarHBondContact O-CZ 3.49Å; K42-F57 HydrophobicContact CG-CE2 3.92Å; K42-F57 HydrophobicContact CG-CZ 4.45Å; A45-F57 HydrophobicContact CB-CE1 4.13Å; A45-F57 HydrophobicContact CB-CZ 3.66Å; T55-F57 HydrophobicContact CG2-CD1 4.22Å; T55-F57 HydrophobicContact CG2-CE1 3.75Å; F57-V59 HydrophobicContact CB-CG1 3.97Å; F57-V59 PolarHBondContact O-N 3.21Å; F57-Y71 HydrophobicContact CD2-CD1 4.46Å; F57-Y71 AromaticContact CD2-CD2 3.85Å; F57-Y71 HydrophobicContact CD2-CD2 3.85Å; F57-Y71 HydrophobicContact CD2-CE2 4.28Å; F57-Y71 AromaticContact CD2-CG 3.96Å; F57-Y71 HydrophobicContact CD2-CG 3.96Å; F57-Y71 AromaticContact CE2-CD1 3.66Å; F57-Y71 HydrophobicContact CE2-CD1 3.66Å; F57-Y71 AromaticContact CE2-CD2 3.88Å; F57-Y71 HydrophobicContact CE2-CD2 3.88Å; F57-Y71 HydrophobicContact CE2-CE1 4.02Å; F57-Y71 HydrophobicContact CE2-CE2 4.25Å; F57-Y71 AromaticContact CE2-CG 3.58Å; F57-Y71 HydrophobicContact CE2-CG 3.58Å; F57-Y71 HydrophobicContact CZ-CD1 4.15Å; F57-Y71 HydrophobicContact CZ-CG 4.17Å; F57-H72 PolarHBondContact N-O 3.19Å; F57-L73 HydrophobicContact CB-CD2 4.11Å; F57-L73 HydrophobicContact CD2-CD2 4.26Å; F57-Q74 PolarHBondContact O-N 2.98Å
58L96.5Very high94.9Very high3 Ų349.9 Ų49.92%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-84.2105.5168.2-176.361.8000109.2I27 V28 V29 P30 Q74 Y76 V120 L130 I150I27-L58 HydrophobicContact CD1-CB 4.25Å; V28-L58 PolarHBondContact O-N 3.28Å; V29-L58 HydrophobicContact CG1-CD2 4.48Å; V29-L58 HydrophobicContact CG2-CB 4.31Å; V29-L58 HydrophobicContact CG2-CD2 4.17Å; P30-L58 WeakPolarHBondContact CD-O 3.48Å; L58-Q74 CarbonylContact C-O 3.59Å; L58-Q74 WeakPolarHBondContact CA-O 3.3Å; L58-Q74 HydrophobicContact CD1-CB 3.95Å; L58-Y76 HydrophobicContact CD1-CD1 3.68Å; L58-Y76 HydrophobicContact CD1-CE1 4.38Å; L58-Y76 HydrophobicContact CG-CD1 3.84Å; L58-Y76 HydrophobicContact CG-CE1 4.04Å; L58-V120 HydrophobicContact CD2-CG1 4.2Å; L58-L130 HydrophobicContact CD1-CD1 4.25Å; L58-L130 HydrophobicContact CD1-CD2 4.32Å; L58-L130 HydrophobicContact CD2-CD1 4.03Å; L58-I150 HydrophobicContact CD2-CD1 3.63Å
59V95.4Very high94.8Very high2 Ų254.5 Ų54.51%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-132.1151.5-174-66.10000111.2P30 F57 V65 L73 Q74 R75 Y76P30-V59 HydrophobicContact CG-CG1 3.8Å; F57-V59 HydrophobicContact CB-CG1 3.97Å; F57-V59 PolarHBondContact O-N 3.21Å; V59-V65 HydrophobicContact CG1-CG2 4.39Å; V59-V65 HydrophobicContact CG2-CG2 4.37Å; V59-L73 HydrophobicContact CG2-CB 4.48Å; V59-L73 HydrophobicContact CG2-CD2 4.16Å; V59-Q74 PolarHBondContact N-O 3.01Å; V59-R75 VanDerWaalsContact O-CA 3.26Å; V59-R75 WeakPolarHBondContact O-CA 3.46Å; V59-Y76 VanDerWaalsContact C-CD1 3.46Å; V59-Y76 VanDerWaalsContact O-CD1 3.26Å; V59-Y76 WeakPolarHBondContact O-CD1 3.34Å; V59-Y76 PolarHBondContact O-N 3.3Å
60S94.2Very high94.7Very high10 Ų1053.4 Ų53.47%0.0730%0.302CS..EExtended strand (participates in β ladder)trans-59.9146173.5-1790000111.2G62 R63 R75 Y76 G78 F80S60-G62 PolarHBondContact O-N 2.93Å; S60-G62 PolarHBondContact OG-N 3.35Å; S60-R63 WeakPolarHBondContact O-CB 3.4Å; S60-R63 PolarHBondContact O-N 3.48Å; S60-R75 PolarHBondContact O-NH1 3.38Å; S60-Y76 CarbonylContact C-O 3.56Å; S60-Y76 WeakPolarHBondContact CA-O 3.28Å; S60-Y76 VanDerWaalsContact N-CE1 3.32Å; S60-G78 VanDerWaalsContact OG-CA 3.3Å; S60-G78 WeakPolarHBondContact OG-CA 3.26Å; S60-G78 PolarHBondContact OG-N 3.27Å; S60-F80 WeakPolarHBondContact CB-O 3.46Å; S60-F80 PolarHBondContact OG-O 3.38Å
61E93.6Very high94.8Very high116 Ų11647.3 Ų47.354%0.54227%0.273SS..THydrogen-bonded Turntrans-52.6-40.9172.5-76171.2-174.100112.8R63 R75 Y76E61-R63 PolarHBondContact O-N 3.43Å; E61-R75 HydrophobicContact CG-CB 3.73Å; E61-R75 PolarHBondContact O-NH1 2.86Å; E61-R75 VanDerWaalsContact O-NH1 3.11Å; E61-Y76 PolarHBondContact N-O 2.8Å
62G90.4Very high95Very high34 Ų3447 Ų4735%0.35127%0.272SS..THydrogen-bonded Turntrans-76.5-5.817900000114.6S60 N81 S82S60-G62 PolarHBondContact O-N 2.93Å; S60-G62 PolarHBondContact OG-N 3.35Å; G62-N81 VanDerWaalsContact O-CA 3.26Å; G62-N81 WeakPolarHBondContact O-CA 3.33Å; G62-N81 WeakPolarHBondContact O-CB 3.38Å; G62-S82 PolarHBondContact O-N 2.94Å
63R93.4Very high95.1Very high11 Ų1147.2 Ų47.24%0.04226%0.262CS..SBendtrans-84.4120.3177.6-167177.5-173.8170.68.4110.1P31 F34 E35 S60 E61 V65 R75P31-R63 PolarHBondContact O-NH1 2.99Å; F34-R63 PolarHBondContact O-NH2 3.01Å; E35-R63 IonicContact OE1-CZ 3.38Å; E35-R63 IonicContact OE1-NE 3.22Å; E35-R63 PolarHBondContact OE1-NE 3.47Å; E35-R63 IonicContact OE1-NH2 2.61Å; E35-R63 PolarHBondContact OE1-NH2 2.98Å; S60-R63 WeakPolarHBondContact O-CB 3.4Å; S60-R63 PolarHBondContact O-N 3.48Å; E61-R63 PolarHBondContact O-N 3.43Å; R63-V65 HydrophobicContact CG-CG2 4.19Å; R63-V65 PolarHBondContact O-N 3.4Å; R63-R75 PolarHBondContact O-NH1 2.96Å; R63-R75 VanDerWaalsContact O-NH1 3.09Å
64E91.9Very high95.1Very high150 Ų15047.7 Ų47.770%0.70126%0.264SS*.  trans-74.2112.6174.6-66.7-176.8177.700109.9S82E64-S82 WeakPolarHBondContact CB-OG 3.29Å; E64-S82 PolarHBondContact N-OG 3.34Å
65V93.4Very high95Very high10 Ų1047.9 Ų47.96%0.06126%0.262CS..  trans-127.8118.1173.8-174.40000106.6L38 V59 R63 Y71 L73L38-V65 HydrophobicContact CD2-CG1 4.39Å; L38-V65 HydrophobicContact CD2-CG2 3.91Å; V59-V65 HydrophobicContact CG1-CG2 4.39Å; V59-V65 HydrophobicContact CG2-CG2 4.37Å; R63-V65 HydrophobicContact CG-CG2 4.19Å; R63-V65 PolarHBondContact O-N 3.4Å; V65-Y71 HydrophobicContact CG1-CE2 3.84Å; V65-L73 HydrophobicContact CB-CD1 4.07Å; V65-L73 HydrophobicContact CB-CD2 4.21Å; V65-L73 HydrophobicContact CG1-CD1 4.48Å; V65-L73 HydrophobicContact CG1-CD2 3.97Å
66P91.9Very high94.9Very high77 Ų7748.1 Ų48.150%0.526%0.262SS..  trans-56.1140.5179.2-26.334.6000111.1Y71P66-Y71 WeakPolarHBondContact O-CE2 3.35Å; P66-Y71 PolarHBondContact O-OH 3.34Å
67P91.4Very high94.7Very high130 Ų13050.5 Ų50.584%0.84428%0.279SS*.  trans-63.5143.9173.827.5-33.4000110.1
68S95.6Very high94.2Very high35 Ų3551.7 Ų51.725%0.24529%0.291CS..BIsolated β-bridgetrans-148.9145.5179.3-178.70000109.6H70 Y71S68-H70 PolarHBondContact O-N 3.01Å; S68-H70 PolarHBondContact OG-CD2 3.14Å; S68-H70 VanDerWaalsContact OG-CD2 3.31Å; S68-H70 PolarHBondContact OG-N 2.91Å; S68-Y71 VanDerWaalsContact CB-CE1 3.41Å; S68-Y71 VanDerWaalsContact CB-CZ 3.42Å; S68-Y71 VanDerWaalsContact O-O 3.06Å
69P94.6Very high94Very high98 Ų9854.5 Ų54.564%0.63631%0.306SS*.THydrogen-bonded Turntrans-68.6-12.4169.929.7-35.5000113H49H49-P69 PolarHBondContact CE1-O 2.99Å; H49-P69 PolarHBondContact ND1-O 3.47Å
70H96.4Very high93.8Very high55 Ų5555.7 Ų55.726%0.25531%0.311SS..THydrogen-bonded Turntrans-87.1-12.5-173.9-54.1-40.7000114.3H49 S68H49-H70 HydrophobicContact CB-CB 4.18Å; H49-H70 AromaticContact CD2-ND1 3.25Å; H49-H70 PolarHBondContact CD2-ND1 3.5Å; H49-H70 AromaticContact CG-ND1 3.75Å; H49-H70 AromaticContact NE2-ND1 3.75Å; S68-H70 PolarHBondContact O-N 3.01Å; S68-H70 PolarHBondContact OG-CD2 3.14Å; S68-H70 VanDerWaalsContact OG-CD2 3.31Å; S68-H70 PolarHBondContact OG-N 2.91Å
71Y96.9Very high93.7Very high16 Ų1658.3 Ų58.36%0.06332%0.324CS..BIsolated β-bridgetrans-154.7156.1178.754.5-101.2000112.1K42 A45 T55 F57 V65 P66 S68 L73K42-Y71 HydrophobicContact CB-CE1 4.47Å; K42-Y71 HydrophobicContact CG-CE1 3.89Å; A45-Y71 HydrophobicContact CB-CD1 4.14Å; T55-Y71 CarbonylContact O-C 3.59Å; T55-Y71 VanDerWaalsContact O-CA 3.26Å; T55-Y71 WeakPolarHBondContact O-CA 3.41Å; F57-Y71 HydrophobicContact CD2-CD1 4.46Å; F57-Y71 AromaticContact CD2-CD2 3.85Å; F57-Y71 HydrophobicContact CD2-CD2 3.85Å; F57-Y71 HydrophobicContact CD2-CE2 4.28Å; F57-Y71 AromaticContact CD2-CG 3.96Å; F57-Y71 HydrophobicContact CD2-CG 3.96Å; F57-Y71 AromaticContact CE2-CD1 3.66Å; F57-Y71 HydrophobicContact CE2-CD1 3.66Å; F57-Y71 AromaticContact CE2-CD2 3.88Å; F57-Y71 HydrophobicContact CE2-CD2 3.88Å; F57-Y71 HydrophobicContact CE2-CE1 4.02Å; F57-Y71 HydrophobicContact CE2-CE2 4.25Å; F57-Y71 AromaticContact CE2-CG 3.58Å; F57-Y71 HydrophobicContact CE2-CG 3.58Å; F57-Y71 HydrophobicContact CZ-CD1 4.15Å; F57-Y71 HydrophobicContact CZ-CG 4.17Å; V65-Y71 HydrophobicContact CG1-CE2 3.84Å; P66-Y71 WeakPolarHBondContact O-CE2 3.35Å; P66-Y71 PolarHBondContact O-OH 3.34Å; S68-Y71 VanDerWaalsContact CB-CE1 3.41Å; S68-Y71 VanDerWaalsContact CB-CZ 3.42Å; S68-Y71 VanDerWaalsContact O-O 3.06Å; Y71-L73 HydrophobicContact CD2-CD2 3.94Å; Y71-L73 HydrophobicContact CE2-CD2 4.01Å
72H97.1Very high93.5Very high95 Ų9554.2 Ų54.244%0.4431%0.308SS..EExtended strand (participates in β ladder)trans-108158.3172.5-59.8-78.1000110.7E54 T55 H56 F57E54-H72 IonicContact OE1-CD2 3.77Å; T55-H72 PolarHBondContact O-N 2.94Å; H56-H72 CarbonylContact C-O 3.59Å; H56-H72 VanDerWaalsContact CA-O 3.3Å; H56-H72 WeakPolarHBondContact CA-O 3.2Å; H56-H72 AromaticContact CE1-CD2 3.99Å; H56-H72 AromaticContact CE1-CG 3.91Å; H56-H72 WeakPolarHBondContact ND1-CB 3.43Å; F57-H72 PolarHBondContact N-O 3.19Å
73L96.6Very high93.5Very high48 Ų4856.7 Ų56.725%0.25132%0.317SS..EExtended strand (participates in β ladder)trans-111.2125.4179.9-57.8-179.6000110.1F57 V59 V65 Y71 R75F57-L73 HydrophobicContact CB-CD2 4.11Å; F57-L73 HydrophobicContact CD2-CD2 4.26Å; V59-L73 HydrophobicContact CG2-CB 4.48Å; V59-L73 HydrophobicContact CG2-CD2 4.16Å; V65-L73 HydrophobicContact CB-CD1 4.07Å; V65-L73 HydrophobicContact CB-CD2 4.21Å; V65-L73 HydrophobicContact CG1-CD1 4.48Å; V65-L73 HydrophobicContact CG1-CD2 3.97Å; Y71-L73 HydrophobicContact CD2-CD2 3.94Å; Y71-L73 HydrophobicContact CE2-CD2 4.01Å; L73-R75 HydrophobicContact CB-CG 4.48Å
74Q96.3Very high93.5Very high25 Ų2558.8 Ų58.812%0.11733%0.331CS..EExtended strand (participates in β ladder)trans-100115.9164.3-64.6-63.1-1700107.2H56 F57 L58 V59 L130 F135H56-Q74 HydrophobicContact CB-CG 4.2Å; H56-Q74 PolarHBondContact ND1-NE2 3.02Å; F57-Q74 PolarHBondContact O-N 2.98Å; L58-Q74 CarbonylContact C-O 3.59Å; L58-Q74 WeakPolarHBondContact CA-O 3.3Å; L58-Q74 HydrophobicContact CD1-CB 3.95Å; V59-Q74 PolarHBondContact N-O 3.01Å; Q74-L130 HydrophobicContact CB-CD2 4.2Å; Q74-L130 HydrophobicContact CG-CD2 4.14Å; Q74-F135 HydrophobicContact CG-CZ 4.43Å
75R95.6Very high93.5Very high81 Ų8152 Ų5231%0.30630%0.3SS..EExtended strand (participates in β ladder)trans-101.1146.7-173.3-68.7-170.8176.9-85.45112.4V59 S60 E61 R63 L73 R129V59-R75 VanDerWaalsContact O-CA 3.26Å; V59-R75 WeakPolarHBondContact O-CA 3.46Å; S60-R75 PolarHBondContact O-NH1 3.38Å; E61-R75 HydrophobicContact CG-CB 3.73Å; E61-R75 PolarHBondContact O-NH1 2.86Å; E61-R75 VanDerWaalsContact O-NH1 3.11Å; R63-R75 PolarHBondContact O-NH1 2.96Å; R63-R75 VanDerWaalsContact O-NH1 3.09Å; L73-R75 HydrophobicContact CB-CG 4.48Å; R75-R129 PolarHBondContact O-NH2 3.37Å
76Y95.4Very high93.3Very high6 Ų653.3 Ų53.32%0.02431%0.307CS..EExtended strand (participates in β ladder)trans-140.1154.6174.568.9-89.9000110.6I32 L58 V59 S60 E61 G78 N116 V120I32-Y76 WeakPolarHBondContact CG2-OH 3.48Å; L58-Y76 HydrophobicContact CD1-CD1 3.68Å; L58-Y76 HydrophobicContact CD1-CE1 4.38Å; L58-Y76 HydrophobicContact CG-CD1 3.84Å; L58-Y76 HydrophobicContact CG-CE1 4.04Å; V59-Y76 VanDerWaalsContact C-CD1 3.46Å; V59-Y76 VanDerWaalsContact O-CD1 3.26Å; V59-Y76 WeakPolarHBondContact O-CD1 3.34Å; V59-Y76 PolarHBondContact O-N 3.3Å; S60-Y76 CarbonylContact C-O 3.56Å; S60-Y76 WeakPolarHBondContact CA-O 3.28Å; S60-Y76 VanDerWaalsContact N-CE1 3.32Å; E61-Y76 PolarHBondContact N-O 2.8Å; Y76-G78 VanDerWaalsContact CE2-CA 3.41Å; Y76-G78 PolarHBondContact O-N 2.89Å; Y76-N116 VanDerWaalsContact CE2-OD1 3.28Å; Y76-N116 WeakPolarHBondContact CE2-OD1 3.29Å; Y76-N116 VanDerWaalsContact OH-CG 3.32Å; Y76-N116 PolarHBondContact OH-ND2 2.81Å; Y76-N116 PolarHBondContact OH-OD1 3.44Å; Y76-V120 HydrophobicContact CD1-CG2 4.19Å; Y76-V120 HydrophobicContact CD2-CG2 3.42Å; Y76-V120 VanDerWaalsContact CD2-CG2 3.42Å; Y76-V120 HydrophobicContact CE1-CG2 4.09Å; Y76-V120 HydrophobicContact CE2-CG2 3.3Å; Y76-V120 HydrophobicContact CG-CG2 3.88Å
77P93.6Very high93.3Very high58 Ų5854.2 Ų54.238%0.37731%0.307SS..  trans-69.397.7172.927.8-32.5000108.6N123P77-N123 VanDerWaalsContact CG-ND2 3.26Å; P77-N123 WeakPolarHBondContact CG-ND2 3.48Å
78G87.9Confident93.4Very high26 Ų2649.3 Ų49.327%0.26827%0.273SS..  trans-95.4168.4-177.700000112.7S60 Y76 F80S60-G78 VanDerWaalsContact OG-CA 3.3Å; S60-G78 WeakPolarHBondContact OG-CA 3.26Å; S60-G78 PolarHBondContact OG-N 3.27Å; Y76-G78 VanDerWaalsContact CE2-CA 3.41Å; Y76-G78 PolarHBondContact O-N 2.89Å; G78-F80 VanDerWaalsContact C-N 3.28Å; G78-F80 PolarHBondContact O-N 3.27Å
79I92.2Very high93.1Very high62 Ų6248.2 Ų48.232%0.31826%0.264SS..SBendtrans-76.6-15.6-18064.4172.1000113.3I32 H112 Q115 N116 A119I32-I79 HydrophobicContact CD1-CD1 4.04Å; I32-I79 HydrophobicContact CD1-CG1 4.21Å; I79-H112 HydrophobicContact CD1-CB 4.13Å; I79-H112 VanDerWaalsContact CD1-O 3.29Å; I79-H112 WeakPolarHBondContact CD1-O 3.11Å; I79-Q115 HydrophobicContact CD1-CB 4.33Å; I79-N116 HydrophobicContact CD1-CB 3.88Å; I79-N116 HydrophobicContact CG1-CB 4.09Å; I79-A119 HydrophobicContact CG2-CB 4.37Å
80F91.9Very high92.9Very high27 Ų2744.7 Ų44.712%0.11824%0.239CC..  trans-130.6150.1-178.9-70.7-48.4000112.7I32 M33 S60 G78 A85 F88 H112I32-F80 HydrophobicContact CD1-CD2 4Å; I32-F80 HydrophobicContact CD1-CE2 4.37Å; I32-F80 HydrophobicContact CG1-CD2 4.31Å; M33-F80 HydrophobicContact CG-CD2 4.18Å; M33-F80 HydrophobicContact CG-CE2 4.01Å; M33-F80 HydrophobicContact SD-CE2 4.07Å; S60-F80 WeakPolarHBondContact CB-O 3.46Å; S60-F80 PolarHBondContact OG-O 3.38Å; G78-F80 VanDerWaalsContact C-N 3.28Å; G78-F80 PolarHBondContact O-N 3.27Å; F80-A85 HydrophobicContact CB-CB 3.99Å; F80-A85 HydrophobicContact CD2-CB 4.41Å; F80-A85 HydrophobicContact CG-CB 4.18Å; F80-F88 HydrophobicContact CE1-CB 4.1Å; F80-F88 HydrophobicContact CE1-CG 4.3Å; F80-F88 HydrophobicContact CE2-CD1 4.37Å; F80-F88 HydrophobicContact CZ-CB 4Å; F80-F88 AromaticContact CZ-CD1 3.98Å; F80-F88 HydrophobicContact CZ-CD1 3.98Å; F80-F88 HydrophobicContact CZ-CD2 4.09Å; F80-F88 HydrophobicContact CZ-CE1 4.47Å; F80-F88 AromaticContact CZ-CG 3.76Å; F80-F88 HydrophobicContact CZ-CG 3.76Å; F80-H112 HydrophobicContact CE2-CB 4.18Å; F80-H112 AromaticContact CE2-CD2 3.82Å; F80-H112 AromaticContact CZ-CD2 3.4Å; F80-H112 WeakPolarHBondContact CZ-CD2 3.49Å
81N92.3Very high92.6Very high64 Ų6444.2 Ų44.234%0.34224%0.242SC..  trans-107.4175158.967.644.7000109.2G62 T83 T84 A85G62-N81 VanDerWaalsContact O-CA 3.26Å; G62-N81 WeakPolarHBondContact O-CA 3.33Å; G62-N81 WeakPolarHBondContact O-CB 3.38Å; N81-T83 VanDerWaalsContact C-N 3.27Å; N81-T83 PolarHBondContact O-N 2.91Å; N81-T83 WeakPolarHBondContact OD1-CA 3.21Å; N81-T83 WeakPolarHBondContact OD1-CB 3.42Å; N81-T83 PolarHBondContact OD1-N 3.47Å; N81-T84 PolarHBondContact N-OG1 3.49Å; N81-T84 PolarHBondContact O-N 2.91Å; N81-T84 PolarHBondContact O-OG1 2.91Å; N81-T84 PolarHBondContact OD1-N 3.5Å; N81-T84 PolarHBondContact OD1-OG1 3.37Å; N81-A85 WeakPolarHBondContact O-CB 3.44Å; N81-A85 PolarHBondContact O-N 2.9Å
82S89.3Confident92.4Very high30 Ų3044.5 Ų44.521%0.2124%0.243CC..Hα-helixtrans-53.6-44.1-178.6-630000113.1G62 E64 D86G62-S82 PolarHBondContact O-N 2.94Å; E64-S82 WeakPolarHBondContact CB-OG 3.29Å; E64-S82 PolarHBondContact N-OG 3.34Å; S82-D86 WeakPolarHBondContact O-CB 3.49Å; S82-D86 PolarHBondContact O-N 2.97Å; S82-D86 VanDerWaalsContact O-N 3.11Å
83T90.7Very high91.9Very high87 Ų8740.2 Ų40.253%0.53422%0.224SC..Hα-helixtrans-71.6-42.8-177.5-53.60000112N81 D86 N87N81-T83 VanDerWaalsContact C-N 3.27Å; N81-T83 PolarHBondContact O-N 2.91Å; N81-T83 WeakPolarHBondContact OD1-CA 3.21Å; N81-T83 WeakPolarHBondContact OD1-CB 3.42Å; N81-T83 PolarHBondContact OD1-N 3.47Å; T83-D86 PolarHBondContact O-N 3.23Å; T83-N87 WeakPolarHBondContact O-CB 3.44Å; T83-N87 PolarHBondContact O-N 3.44Å; T83-N87 PolarHBondContact O-ND2 2.92Å
84T93.1Very high91.5Very high55 Ų5539.7 Ų39.734%0.33723%0.225SC..Hα-helixtrans-73.1-35-178.756.50000112N81 F88N81-T84 PolarHBondContact N-OG1 3.49Å; N81-T84 PolarHBondContact O-N 2.91Å; N81-T84 PolarHBondContact O-OG1 2.91Å; N81-T84 PolarHBondContact OD1-N 3.5Å; N81-T84 PolarHBondContact OD1-OG1 3.37Å; T84-F88 VanDerWaalsContact O-CB 3.25Å; T84-F88 WeakPolarHBondContact O-CB 3.49Å; T84-F88 PolarHBondContact O-N 2.92Å
85A91.2Very high91.2Very high6 Ų640.9 Ų40.95%0.0523%0.232CC..Hα-helixtrans-61.8-47.3170.400000111.5F80 N81 F88 L89F80-A85 HydrophobicContact CB-CB 3.99Å; F80-A85 HydrophobicContact CD2-CB 4.41Å; F80-A85 HydrophobicContact CG-CB 4.18Å; N81-A85 WeakPolarHBondContact O-CB 3.44Å; N81-A85 PolarHBondContact O-N 2.9Å; A85-F88 PolarHBondContact O-N 3.35Å; A85-L89 PolarHBondContact O-N 3.33Å
86D89.9Confident90.8Very high38 Ų3837.5 Ų37.520%0.20322%0.219CC..Hα-helixtrans-63-47.9177.8-17663000111.5S82 T83 F88 L89 Q90 K301S82-D86 WeakPolarHBondContact O-CB 3.49Å; S82-D86 PolarHBondContact O-N 2.97Å; S82-D86 VanDerWaalsContact O-N 3.11Å; T83-D86 PolarHBondContact O-N 3.23Å; D86-F88 VanDerWaalsContact C-N 3.3Å; D86-F88 PolarHBondContact O-N 3.38Å; D86-L89 PolarHBondContact O-N 3.08Å; D86-Q90 WeakPolarHBondContact O-CG 3.41Å; D86-Q90 PolarHBondContact O-N 3.08Å; D86-Q90 PolarHBondContact OD1-NE2 2.92Å; D86-K301 WeakPolarHBondContact OD1-CE 3.47Å; D86-K301 IonicContact OD1-NZ 2.78Å; D86-K301 PolarHBondContact OD1-NZ 3.2Å; D86-K301 WeakPolarHBondContact OD2-CE 3.36Å; D86-K301 IonicContact OD2-NZ 3.33Å; D86-K301 PolarHBondContact OD2-NZ 2.87Å
87N91.6Very high90.4Very high97 Ų9738.3 Ų38.352%0.51922%0.223SC..Hα-helixtrans-58.3-42.2176.1-73.9-16.6000112.1T83 Q90 S91T83-N87 WeakPolarHBondContact O-CB 3.44Å; T83-N87 PolarHBondContact O-N 3.44Å; T83-N87 PolarHBondContact O-ND2 2.92Å; N87-Q90 PolarHBondContact O-N 3.04Å; N87-S91 WeakPolarHBondContact O-CB 3.38Å; N87-S91 PolarHBondContact O-N 3.36Å
88F92.5Very high90.1Very high26 Ų2639.9 Ų39.911%0.11424%0.236CC..Hα-helixtrans-59.7-51.6175.6176.9-100.2000110.6M33 F80 T84 A85 D86 Q90 S91 K92 I109 H112M33-F88 HydrophobicContact CG-CD1 4.48Å; M33-F88 HydrophobicContact SD-CD1 3.64Å; M33-F88 HydrophobicContact SD-CE1 3.53Å; M33-F88 VanDerWaalsContact SD-CE1 3.53Å; F80-F88 HydrophobicContact CE1-CB 4.1Å; F80-F88 HydrophobicContact CE1-CG 4.3Å; F80-F88 HydrophobicContact CE2-CD1 4.37Å; F80-F88 HydrophobicContact CZ-CB 4Å; F80-F88 AromaticContact CZ-CD1 3.98Å; F80-F88 HydrophobicContact CZ-CD1 3.98Å; F80-F88 HydrophobicContact CZ-CD2 4.09Å; F80-F88 HydrophobicContact CZ-CE1 4.47Å; F80-F88 AromaticContact CZ-CG 3.76Å; F80-F88 HydrophobicContact CZ-CG 3.76Å; T84-F88 VanDerWaalsContact O-CB 3.25Å; T84-F88 WeakPolarHBondContact O-CB 3.49Å; T84-F88 PolarHBondContact O-N 2.92Å; A85-F88 PolarHBondContact O-N 3.35Å; D86-F88 VanDerWaalsContact C-N 3.3Å; D86-F88 PolarHBondContact O-N 3.38Å; F88-Q90 PolarHBondContact O-N 3.04Å; F88-S91 WeakPolarHBondContact O-CB 3.49Å; F88-S91 PolarHBondContact O-N 2.93Å; F88-S91 VanDerWaalsContact O-N 3.16Å; F88-S91 PolarHBondContact O-OG 3Å; F88-K92 HydrophobicContact CE1-CG 4.3Å; F88-K92 HydrophobicContact CZ-CD 4.38Å; F88-K92 HydrophobicContact CZ-CG 4.46Å; F88-K92 WeakPolarHBondContact O-CG 3.21Å; F88-K92 PolarHBondContact O-N 2.9Å; F88-I109 HydrophobicContact CE1-CG1 3.95Å; F88-H112 AromaticContact CE2-CE1 3.42Å; F88-H112 VanDerWaalsContact CE2-CE1 3.42Å; F88-H112 WeakPolarHBondContact CE2-CE1 3.21Å; F88-H112 AromaticContact CE2-ND1 3.83Å; F88-H112 AromaticContact CE2-NE2 3.69Å; F88-H112 AromaticContact CZ-CE1 3.56Å; F88-H112 AromaticContact CZ-CG 3.93Å; F88-H112 AromaticContact CZ-ND1 3.46Å; F88-H112 WeakPolarHBondContact CZ-ND1 3.37Å
89L89.9Confident89.9Confident12 Ų1241.1 Ų41.16%0.06325%0.248CC..Hα-helixtrans-60.2-45.9177.5-73.5-178.1000112.7M33 F34 A85 D86 S91 K92 V93 I109M33-L89 HydrophobicContact CB-CD1 4.04Å; M33-L89 HydrophobicContact CB-CD2 4.14Å; M33-L89 HydrophobicContact CB-CG 4.16Å; M33-L89 HydrophobicContact CG-CD2 4.43Å; M33-L89 HydrophobicContact CG-CG 4.46Å; M33-L89 WeakPolarHBondContact O-CD1 3.49Å; M33-L89 HydrophobicContact SD-CD2 4.26Å; F34-L89 HydrophobicContact CD1-CD1 3.78Å; F34-L89 HydrophobicContact CD1-CD2 4.46Å; F34-L89 HydrophobicContact CE1-CD1 3.74Å; F34-L89 HydrophobicContact CE1-CD2 3.64Å; F34-L89 HydrophobicContact CE1-CG 4.36Å; F34-L89 HydrophobicContact CE2-CD2 4.43Å; F34-L89 HydrophobicContact CG-CD1 4.48Å; F34-L89 HydrophobicContact CZ-CD1 4.41Å; F34-L89 HydrophobicContact CZ-CD2 3.62Å; A85-L89 PolarHBondContact O-N 3.33Å; D86-L89 PolarHBondContact O-N 3.08Å; L89-S91 PolarHBondContact O-N 3.34Å; L89-K92 WeakPolarHBondContact O-CB 3.23Å; L89-K92 PolarHBondContact O-N 3.26Å; L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 3.47Å; L89-I109 HydrophobicContact CD2-CD1 4.42Å
90Q89.9Confident89.6Confident25 Ų2544.5 Ų44.512%0.11726%0.257CS..Hα-helixtrans-60.9-35177.5-64.1-41.2-52.300111.5D86 N87 F88 K92 V93 S94 G299 K301D86-Q90 WeakPolarHBondContact O-CG 3.41Å; D86-Q90 PolarHBondContact O-N 3.08Å; D86-Q90 PolarHBondContact OD1-NE2 2.92Å; N87-Q90 PolarHBondContact O-N 3.04Å; F88-Q90 PolarHBondContact O-N 3.04Å; Q90-K92 VanDerWaalsContact C-N 3.35Å; Q90-K92 PolarHBondContact O-N 3.02Å; Q90-V93 PolarHBondContact O-N 3.3Å; Q90-S94 VanDerWaalsContact O-CB 3.31Å; Q90-S94 WeakPolarHBondContact O-CB 3.37Å; Q90-S94 PolarHBondContact O-N 2.95Å; Q90-G299 PolarHBondContact NE2-O 2.91Å; Q90-K301 HydrophobicContact CG-CB 4.44Å
91S91.9Very high89.2Confident45 Ų4548 Ų4832%0.31528%0.277SS..Hα-helixtrans-63.4-39.2174.3820000112.3N87 F88 L89 S94 N95N87-S91 WeakPolarHBondContact O-CB 3.38Å; N87-S91 PolarHBondContact O-N 3.36Å; F88-S91 WeakPolarHBondContact O-CB 3.49Å; F88-S91 PolarHBondContact O-N 2.93Å; F88-S91 VanDerWaalsContact O-N 3.16Å; F88-S91 PolarHBondContact O-OG 3Å; L89-S91 PolarHBondContact O-N 3.34Å; S91-S94 PolarHBondContact O-N 3.17Å; S91-N95 WeakPolarHBondContact O-CB 3.5Å; S91-N95 PolarHBondContact O-N 3.37Å; S91-N95 PolarHBondContact O-ND2 3.32Å; S91-N95 PolarHBondContact O-OD1 3.5Å
92K91.4Very high88.8Confident21 Ų2147.2 Ų47.29%0.09127%0.274CS..Hα-helixtrans-65.5-45.4176.1-56.1-48.8169.3-1670111.6F88 L89 Q90 S94 N95 I96 E105 D108 I109F88-K92 HydrophobicContact CE1-CG 4.3Å; F88-K92 HydrophobicContact CZ-CD 4.38Å; F88-K92 HydrophobicContact CZ-CG 4.46Å; F88-K92 WeakPolarHBondContact O-CG 3.21Å; F88-K92 PolarHBondContact O-N 2.9Å; L89-K92 WeakPolarHBondContact O-CB 3.23Å; L89-K92 PolarHBondContact O-N 3.26Å; Q90-K92 VanDerWaalsContact C-N 3.35Å; Q90-K92 PolarHBondContact O-N 3.02Å; K92-S94 VanDerWaalsContact C-N 3.35Å; K92-S94 PolarHBondContact O-N 3.4Å; K92-N95 PolarHBondContact O-N 2.8Å; K92-I96 WeakPolarHBondContact O-CD1 3.32Å; K92-I96 VanDerWaalsContact O-CG1 3.26Å; K92-I96 WeakPolarHBondContact O-CG1 3.37Å; K92-I96 PolarHBondContact O-N 3.14Å; K92-E105 HydrophobicContact CB-CB 4.3Å; K92-E105 HydrophobicContact CD-CB 4.18Å; K92-E105 HydrophobicContact CD-CG 4.4Å; K92-E105 WeakPolarHBondContact CD-OE2 3.5Å; K92-E105 IonicContact NZ-OE2 3.36Å; K92-E105 PolarHBondContact NZ-OE2 2.96Å; K92-D108 WeakPolarHBondContact CE-OD2 3.25Å; K92-D108 IonicContact NZ-OD2 3.88Å; K92-D108 PolarHBondContact NZ-OD2 3.33Å; K92-I109 HydrophobicContact CG-CG1 4.48Å
93V86.9Confident88.5Confident5 Ų551.2 Ų51.23%0.0329%0.288CS..Hα-helixtrans-59.9-46.9176.11760000110.6L89 Q90 N95 I96 F97 V300 F383L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 3.47Å; Q90-V93 PolarHBondContact O-N 3.3Å; V93-N95 PolarHBondContact O-N 3.11Å; V93-I96 PolarHBondContact O-N 3.3Å; V93-F97 HydrophobicContact CG1-CD2 3.7Å; V93-F97 HydrophobicContact CG1-CE2 3.41Å; V93-F97 VanDerWaalsContact CG1-CE2 3.41Å; V93-F97 WeakPolarHBondContact O-CD2 3.43Å; V93-F97 PolarHBondContact O-N 2.98Å; V93-V300 HydrophobicContact CG1-CG1 4.38Å; V93-F383 HydrophobicContact CG1-CE1 4.43Å; V93-F383 HydrophobicContact CG2-CD1 4.29Å; V93-F383 HydrophobicContact CG2-CE1 3.52Å; V93-F383 HydrophobicContact CG2-CZ 3.8Å
94S88.6Confident88.3Confident38 Ų3850.5 Ų50.527%0.26628%0.281SS..Hα-helixtrans-60.6-43.1176.6-176.30000112.7Q90 S91 K92 I96 F97 S98Q90-S94 VanDerWaalsContact O-CB 3.31Å; Q90-S94 WeakPolarHBondContact O-CB 3.37Å; Q90-S94 PolarHBondContact O-N 2.95Å; S91-S94 PolarHBondContact O-N 3.17Å; K92-S94 VanDerWaalsContact C-N 3.35Å; K92-S94 PolarHBondContact O-N 3.4Å; S94-I96 PolarHBondContact O-N 3.35Å; S94-F97 PolarHBondContact O-N 2.79Å; S94-S98 WeakPolarHBondContact O-CB 3.42Å; S94-S98 PolarHBondContact O-N 2.82Å; S94-S98 PolarHBondContact O-OG 2.91Å
95N89.9Confident88.1Confident49 Ų4948 Ų4826%0.26227%0.265SS..Hα-helixtrans-61.2-42.8176.1-74.4-14.5000112.2S91 K92 V93 S98 G99 R100 E105S91-N95 WeakPolarHBondContact O-CB 3.5Å; S91-N95 PolarHBondContact O-N 3.37Å; S91-N95 PolarHBondContact O-ND2 3.32Å; S91-N95 PolarHBondContact O-OD1 3.5Å; K92-N95 PolarHBondContact O-N 2.8Å; V93-N95 PolarHBondContact O-N 3.11Å; N95-S98 CarbonylContact O-C 3.56Å; N95-S98 PolarHBondContact O-N 3.33Å; N95-S98 VanDerWaalsContact O-N 3.17Å; N95-G99 PolarHBondContact O-N 3.36Å; N95-R100 HydrophobicContact CB-CB 4.13Å; N95-R100 WeakPolarHBondContact O-CB 3.46Å; N95-R100 PolarHBondContact O-N 3.18Å; N95-E105 HydrophobicContact CB-CG 4.32Å; N95-E105 PolarHBondContact ND2-OE2 3.18Å
96I86.6Confident87.9Confident10 Ų1051.2 Ų51.25%0.05128%0.281CS..Hα-helixtrans-62.3-44.8177-69.6164.2000110.3K92 V93 S94 S98 G99 T102 E105 F383 W404K92-I96 WeakPolarHBondContact O-CD1 3.32Å; K92-I96 VanDerWaalsContact O-CG1 3.26Å; K92-I96 WeakPolarHBondContact O-CG1 3.37Å; K92-I96 PolarHBondContact O-N 3.14Å; V93-I96 PolarHBondContact O-N 3.3Å; S94-I96 PolarHBondContact O-N 3.35Å; I96-S98 PolarHBondContact O-N 3.42Å; I96-G99 PolarHBondContact O-N 3.03Å; I96-G99 VanDerWaalsContact O-N 3.12Å; I96-T102 HydrophobicContact CD1-CG2 4.13Å; I96-E105 HydrophobicContact CD1-CB 4.38Å; I96-E105 HydrophobicContact CD1-CG 4.5Å; I96-E105 HydrophobicContact CG1-CB 4.44Å; I96-E105 HydrophobicContact CG1-CG 4.04Å; I96-F383 HydrophobicContact CD1-CB 3.85Å; I96-F383 HydrophobicContact CD1-CD1 4.48Å; I96-F383 HydrophobicContact CD1-CG 4.21Å; I96-W404 HydrophobicContact CG2-CZ2 4.3Å
97F86.6Confident87.8Confident24 Ų2453.1 Ų53.111%0.10529%0.288CS..Hα-helixtrans-64.1-30.6175.2-76.8-57.4000112.8V93 S94 G99 Y302 L303 L382 W404V93-F97 HydrophobicContact CG1-CD2 3.7Å; V93-F97 HydrophobicContact CG1-CE2 3.41Å; V93-F97 VanDerWaalsContact CG1-CE2 3.41Å; V93-F97 WeakPolarHBondContact O-CD2 3.43Å; V93-F97 PolarHBondContact O-N 2.98Å; S94-F97 PolarHBondContact O-N 2.79Å; F97-G99 PolarHBondContact O-N 3.09Å; F97-Y302 HydrophobicContact CB-CE1 4.36Å; F97-Y302 AromaticContact CD2-CD1 3.81Å; F97-Y302 HydrophobicContact CD2-CD1 3.81Å; F97-Y302 HydrophobicContact CD2-CE1 4Å; F97-Y302 HydrophobicContact CE2-CD1 4.3Å; F97-Y302 WeakPolarHBondContact CE2-O 3.38Å; F97-Y302 HydrophobicContact CG-CE1 4.49Å; F97-L303 HydrophobicContact CZ-CD2 4.08Å; F97-L382 HydrophobicContact CE1-CD2 3.89Å; F97-L382 HydrophobicContact CZ-CD1 3.86Å; F97-L382 HydrophobicContact CZ-CD2 3.7Å; F97-L382 HydrophobicContact CZ-CG 4.28Å; F97-W404 HydrophobicContact CD1-CD2 4.28Å; F97-W404 AromaticContact CD1-CE3 3.98Å; F97-W404 HydrophobicContact CD1-CE3 3.98Å; F97-W404 AromaticContact CD1-CH2 3.78Å; F97-W404 HydrophobicContact CD1-CH2 3.78Å; F97-W404 HydrophobicContact CD1-CZ2 4.06Å; F97-W404 AromaticContact CD1-CZ3 3.74Å; F97-W404 HydrophobicContact CD1-CZ3 3.74Å; F97-W404 HydrophobicContact CE1-CD2 4.09Å; F97-W404 HydrophobicContact CE1-CE3 4.1Å; F97-W404 HydrophobicContact CE1-CZ2 4.48Å; F97-W404 HydrophobicContact CE1-CZ3 4.32Å
98S87.2Confident87.7Confident91 Ų9150.7 Ų50.764%0.63628%0.275SS*.THydrogen-bonded Turntrans-79.46.2175.9-550000113.8S94 N95 I96S94-S98 WeakPolarHBondContact O-CB 3.42Å; S94-S98 PolarHBondContact O-N 2.82Å; S94-S98 PolarHBondContact O-OG 2.91Å; N95-S98 CarbonylContact O-C 3.56Å; N95-S98 PolarHBondContact O-N 3.33Å; N95-S98 VanDerWaalsContact O-N 3.17Å; I96-S98 PolarHBondContact O-N 3.42Å
99G84.2Confident87.6Confident52 Ų5250.3 Ų50.354%0.53627%0.274SS..THydrogen-bonded Turntrans94.93.5174.400000115.4N95 I96 F97N95-G99 PolarHBondContact O-N 3.36Å; I96-G99 PolarHBondContact O-N 3.03Å; I96-G99 VanDerWaalsContact O-N 3.12Å; F97-G99 PolarHBondContact O-N 3.09Å
100R86.1Confident87.6Confident132 Ų13252.1 Ų52.150%0.49828%0.283SS..  trans-67.9145.7175.9-167.3158.7168.2151.7-7.4110.9N95 T102 E105N95-R100 HydrophobicContact CB-CB 4.13Å; N95-R100 WeakPolarHBondContact O-CB 3.46Å; N95-R100 PolarHBondContact O-N 3.18Å; R100-T102 PolarHBondContact O-N 2.84Å; R100-E105 WeakPolarHBondContact CD-OE1 3.38Å; R100-E105 IonicContact CZ-OE1 2.62Å; R100-E105 IonicContact NE-OE1 2.77Å; R100-E105 PolarHBondContact NE-OE1 3Å; R100-E105 IonicContact NH2-OE1 3.2Å
101L84.2Confident87.7Confident101 Ų10153.5 Ų53.553%0.52929%0.292SS..  trans-66.8121.4-177.1-63.1167.7000110.6F103 L104L101-F103 HydrophobicContact CB-CD1 3.82Å; L101-F103 HydrophobicContact CB-CE1 3.6Å; L101-F103 HydrophobicContact CB-CZ 4.35Å; L101-F103 HydrophobicContact CD1-CE1 3.61Å; L101-F103 HydrophobicContact CD1-CZ 3.98Å; L101-F103 HydrophobicContact CD2-CE1 4.43Å; L101-F103 HydrophobicContact CG-CE1 4.06Å; L101-F103 PolarHBondContact O-N 3.01Å; L101-L104 HydrophobicContact CB-CD1 4.11Å; L101-L104 HydrophobicContact CB-CG 4.23Å; L101-L104 HydrophobicContact CD1-CD1 4.31Å; L101-L104 WeakPolarHBondContact O-CB 3.43Å; L101-L104 PolarHBondContact O-N 3.46Å
102T83.4Confident87.9Confident48 Ų4853 Ų5329%0.29428%0.284SS..Hα-helixtrans-55.7-36.4-175.7-52.40000113.4I96 R100 L104 E105 L106 F383I96-T102 HydrophobicContact CD1-CG2 4.13Å; R100-T102 PolarHBondContact O-N 2.84Å; T102-L104 VanDerWaalsContact C-N 3.29Å; T102-L104 PolarHBondContact O-N 3.31Å; T102-E105 PolarHBondContact O-N 2.98Å; T102-L106 PolarHBondContact O-N 3.32Å; T102-F383 HydrophobicContact CG2-CB 4.07Å
103F82.7Confident88Confident113 Ų11352.2 Ų52.250%0.49628%0.28SS..Hα-helixtrans-64.7-32.9-179.775.8-95.5000112.6L101 L106 F107L101-F103 HydrophobicContact CB-CD1 3.82Å; L101-F103 HydrophobicContact CB-CE1 3.6Å; L101-F103 HydrophobicContact CB-CZ 4.35Å; L101-F103 HydrophobicContact CD1-CE1 3.61Å; L101-F103 HydrophobicContact CD1-CZ 3.98Å; L101-F103 HydrophobicContact CD2-CE1 4.43Å; L101-F103 HydrophobicContact CG-CE1 4.06Å; L101-F103 PolarHBondContact O-N 3.01Å; F103-L106 PolarHBondContact O-N 3.42Å; F103-F107 AromaticContact CD2-CD2 3.94Å; F103-F107 HydrophobicContact CD2-CD2 3.94Å; F103-F107 AromaticContact CD2-CE2 3.93Å; F103-F107 HydrophobicContact CD2-CE2 3.93Å; F103-F107 WeakPolarHBondContact O-CD2 3.44Å; F103-F107 PolarHBondContact O-N 3.02Å
104L86.8Confident88.4Confident73 Ų7352.6 Ų52.638%0.38228%0.284SS..Hα-helixtrans-67.3-42.2177.6-66.5176000111.1L101 T102 L106 F107 D108L101-L104 HydrophobicContact CB-CD1 4.11Å; L101-L104 HydrophobicContact CB-CG 4.23Å; L101-L104 HydrophobicContact CD1-CD1 4.31Å; L101-L104 WeakPolarHBondContact O-CB 3.43Å; L101-L104 PolarHBondContact O-N 3.46Å; T102-L104 VanDerWaalsContact C-N 3.29Å; T102-L104 PolarHBondContact O-N 3.31Å; L104-L106 VanDerWaalsContact C-N 3.31Å; L104-L106 PolarHBondContact O-N 3.26Å; L104-F107 PolarHBondContact O-N 3.21Å; L104-D108 PolarHBondContact O-N 3.34Å; L104-D108 VanDerWaalsContact O-N 3.13Å
105E89.6Confident88.7Confident1 Ų155.3 Ų55.31%0.00529%0.292CS..Hα-helixtrans-67.2-35.1176.8-59.3-47.710300111.7K92 N95 I96 R100 T102 D108 I109K92-E105 HydrophobicContact CB-CB 4.3Å; K92-E105 HydrophobicContact CD-CB 4.18Å; K92-E105 HydrophobicContact CD-CG 4.4Å; K92-E105 WeakPolarHBondContact CD-OE2 3.5Å; K92-E105 IonicContact NZ-OE2 3.36Å; K92-E105 PolarHBondContact NZ-OE2 2.96Å; N95-E105 HydrophobicContact CB-CG 4.32Å; N95-E105 PolarHBondContact ND2-OE2 3.18Å; I96-E105 HydrophobicContact CD1-CB 4.38Å; I96-E105 HydrophobicContact CD1-CG 4.5Å; I96-E105 HydrophobicContact CG1-CB 4.44Å; I96-E105 HydrophobicContact CG1-CG 4.04Å; R100-E105 WeakPolarHBondContact CD-OE1 3.38Å; R100-E105 IonicContact CZ-OE1 2.62Å; R100-E105 IonicContact NE-OE1 2.77Å; R100-E105 PolarHBondContact NE-OE1 3Å; R100-E105 IonicContact NH2-OE1 3.2Å; T102-E105 PolarHBondContact O-N 2.98Å; E105-D108 PolarHBondContact O-N 3.15Å; E105-I109 WeakPolarHBondContact O-CG1 3.45Å; E105-I109 PolarHBondContact O-N 2.71Å; E105-I109 VanDerWaalsContact O-N 3.14Å
106L85.5Confident89Confident75 Ų7553.1 Ų53.139%0.39328%0.28SS..Hα-helixtrans-68-39.2174.8-173.960.8000112.2T102 F103 L104 D108 I109 L110T102-L106 PolarHBondContact O-N 3.32Å; F103-L106 PolarHBondContact O-N 3.42Å; L104-L106 VanDerWaalsContact C-N 3.31Å; L104-L106 PolarHBondContact O-N 3.26Å; L106-D108 VanDerWaalsContact C-N 3.3Å; L106-D108 PolarHBondContact O-N 3.11Å; L106-I109 WeakPolarHBondContact O-CB 3.27Å; L106-I109 PolarHBondContact O-N 2.87Å; L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 2.8Å
107F87.7Confident89.5Confident77 Ų7752.7 Ų52.734%0.33828%0.278SS..Hα-helixtrans-61.4-39.5173.8-85.1-63.8000112.2F103 L104 I109 L110 D111 I213F103-F107 AromaticContact CD2-CD2 3.94Å; F103-F107 HydrophobicContact CD2-CD2 3.94Å; F103-F107 AromaticContact CD2-CE2 3.93Å; F103-F107 HydrophobicContact CD2-CE2 3.93Å; F103-F107 WeakPolarHBondContact O-CD2 3.44Å; F103-F107 PolarHBondContact O-N 3.02Å; L104-F107 PolarHBondContact O-N 3.21Å; F107-I109 VanDerWaalsContact C-N 3.34Å; F107-I109 PolarHBondContact O-N 2.89Å; F107-L110 HydrophobicContact CD1-CD1 4.41Å; F107-L110 WeakPolarHBondContact O-CB 3.43Å; F107-L110 PolarHBondContact O-N 2.84Å; F107-D111 PolarHBondContact O-N 2.75Å; F107-I213 HydrophobicContact CE1-CG2 4.48Å
108D90.4Very high90Very high47 Ų4753.6 Ų53.625%0.25128%0.284SS..Hα-helixtrans-65-37.7177-166.420.3000112K92 L104 E105 L106 D111 H112K92-D108 WeakPolarHBondContact CE-OD2 3.25Å; K92-D108 IonicContact NZ-OD2 3.88Å; K92-D108 PolarHBondContact NZ-OD2 3.33Å; L104-D108 PolarHBondContact O-N 3.34Å; L104-D108 VanDerWaalsContact O-N 3.13Å; E105-D108 PolarHBondContact O-N 3.15Å; L106-D108 VanDerWaalsContact C-N 3.3Å; L106-D108 PolarHBondContact O-N 3.11Å; D108-D111 PolarHBondContact O-N 2.99Å; D108-H112 PolarHBondContact O-N 2.75Å; D108-H112 VanDerWaalsContact O-N 3.14Å; D108-H112 PolarHBondContact O-ND1 3.37Å; D108-H112 IonicContact OD1-CE1 2.58Å; D108-H112 PolarHBondContact OD1-CE1 2.72Å; D108-H112 VanDerWaalsContact OD1-CE1 3.22Å; D108-H112 IonicContact OD1-ND1 3.19Å; D108-H112 PolarHBondContact OD1-ND1 2.98Å
109I90.3Very high90.4Very high17 Ų1750.9 Ų50.99%0.08727%0.267CS..Hα-helixtrans-59.6-47170.6-69.8166.2000110.7M33 F88 L89 K92 E105 L106 F107 D111 H112 Y113M33-I109 HydrophobicContact CE-CG2 3.79Å; M33-I109 HydrophobicContact SD-CG1 4.49Å; M33-I109 HydrophobicContact SD-CG2 4.17Å; F88-I109 HydrophobicContact CE1-CG1 3.95Å; L89-I109 HydrophobicContact CD2-CD1 4.42Å; K92-I109 HydrophobicContact CG-CG1 4.48Å; E105-I109 WeakPolarHBondContact O-CG1 3.45Å; E105-I109 PolarHBondContact O-N 2.71Å; E105-I109 VanDerWaalsContact O-N 3.14Å; L106-I109 WeakPolarHBondContact O-CB 3.27Å; L106-I109 PolarHBondContact O-N 2.87Å; F107-I109 VanDerWaalsContact C-N 3.34Å; F107-I109 PolarHBondContact O-N 2.89Å; I109-D111 VanDerWaalsContact C-N 3.3Å; I109-D111 PolarHBondContact O-N 3.04Å; I109-H112 PolarHBondContact O-N 3.27Å; I109-Y113 HydrophobicContact CG2-CD2 4.08Å; I109-Y113 HydrophobicContact CG2-CE2 3.58Å; I109-Y113 WeakPolarHBondContact O-CD2 3.36Å; I109-Y113 PolarHBondContact O-N 3.05Å
110L90.4Very high91Very high50 Ų5048.6 Ų48.626%0.26224%0.243SC..Hα-helixtrans-63.1-35.4178.1-66.5175.2000112.6L106 F107 Y113 S114 V214L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 2.8Å; F107-L110 HydrophobicContact CD1-CD1 4.41Å; F107-L110 WeakPolarHBondContact O-CB 3.43Å; F107-L110 PolarHBondContact O-N 2.84Å; L110-Y113 HydrophobicContact CD2-CD2 4.39Å; L110-Y113 PolarHBondContact O-N 2.99Å; L110-S114 PolarHBondContact O-N 2.93Å; L110-V214 HydrophobicContact CD1-CG2 4.4Å
111D92.3Very high91.5Very high55 Ų5542.9 Ų42.929%0.29422%0.222SC..Hα-helixtrans-63-43.9174.7-84.1-37.6000111.8F107 D108 I109 Y113 S114 Q115 K217F107-D111 PolarHBondContact O-N 2.75Å; D108-D111 PolarHBondContact O-N 2.99Å; I109-D111 VanDerWaalsContact C-N 3.3Å; I109-D111 PolarHBondContact O-N 3.04Å; D111-Y113 VanDerWaalsContact C-N 3.33Å; D111-Y113 PolarHBondContact O-N 3.19Å; D111-S114 PolarHBondContact O-N 3.12Å; D111-S114 VanDerWaalsContact O-N 3.1Å; D111-S114 PolarHBondContact O-OG 3.48Å; D111-Q115 WeakPolarHBondContact O-CG 3.23Å; D111-Q115 PolarHBondContact O-N 2.89Å; D111-K217 WeakPolarHBondContact OD1-CE 3.4Å; D111-K217 IonicContact OD1-NZ 3.19Å; D111-K217 PolarHBondContact OD1-NZ 3Å; D111-K217 IonicContact OD2-NZ 3.69Å
112H94.4Very high92Very high33 Ų3340 Ų4015%0.15322%0.217CC..Hα-helixtrans-64.5-34.6177.7-75.276000112.7M33 I79 F80 F88 D108 I109 S114 Q115 N116M33-H112 HydrophobicContact CE-CB 4.15Å; I79-H112 HydrophobicContact CD1-CB 4.13Å; I79-H112 VanDerWaalsContact CD1-O 3.29Å; I79-H112 WeakPolarHBondContact CD1-O 3.11Å; F80-H112 HydrophobicContact CE2-CB 4.18Å; F80-H112 AromaticContact CE2-CD2 3.82Å; F80-H112 AromaticContact CZ-CD2 3.4Å; F80-H112 WeakPolarHBondContact CZ-CD2 3.49Å; F88-H112 AromaticContact CE2-CE1 3.42Å; F88-H112 VanDerWaalsContact CE2-CE1 3.42Å; F88-H112 WeakPolarHBondContact CE2-CE1 3.21Å; F88-H112 AromaticContact CE2-ND1 3.83Å; F88-H112 AromaticContact CE2-NE2 3.69Å; F88-H112 AromaticContact CZ-CE1 3.56Å; F88-H112 AromaticContact CZ-CG 3.93Å; F88-H112 AromaticContact CZ-ND1 3.46Å; F88-H112 WeakPolarHBondContact CZ-ND1 3.37Å; D108-H112 PolarHBondContact O-N 2.75Å; D108-H112 VanDerWaalsContact O-N 3.14Å; D108-H112 PolarHBondContact O-ND1 3.37Å; D108-H112 IonicContact OD1-CE1 2.58Å; D108-H112 PolarHBondContact OD1-CE1 2.72Å; D108-H112 VanDerWaalsContact OD1-CE1 3.22Å; D108-H112 IonicContact OD1-ND1 3.19Å; D108-H112 PolarHBondContact OD1-ND1 2.98Å; I109-H112 PolarHBondContact O-N 3.27Å; H112-S114 VanDerWaalsContact C-N 3.35Å; H112-S114 PolarHBondContact O-N 2.9Å; H112-Q115 PolarHBondContact O-N 3.3Å; H112-N116 WeakPolarHBondContact O-CB 3.49Å; H112-N116 PolarHBondContact O-N 3.47Å
113Y94.3Very high92.7Very high5 Ų539.5 Ų39.52%0.0221%0.213CC..Hα-helixtrans-60.9-43.1170.7-73.8-56.3000112.1P31 I32 M33 F34 I109 L110 D111 N116 C117 N143 E144P31-Y113 HydrophobicContact CB-CE1 3.97Å; I32-Y113 HydrophobicContact CD1-CD1 4.18Å; I32-Y113 HydrophobicContact CG1-CD1 3.99Å; I32-Y113 HydrophobicContact CG1-CE1 3.86Å; M33-Y113 HydrophobicContact CE-CD1 3.95Å; M33-Y113 HydrophobicContact CE-CD2 4.05Å; M33-Y113 HydrophobicContact CE-CE1 3.68Å; M33-Y113 HydrophobicContact CE-CE2 3.8Å; M33-Y113 HydrophobicContact CE-CG 4.13Å; F34-Y113 WeakPolarHBondContact CD2-OH 3.48Å; F34-Y113 WeakPolarHBondContact CE2-OH 3.34Å; I109-Y113 HydrophobicContact CG2-CD2 4.08Å; I109-Y113 HydrophobicContact CG2-CE2 3.58Å; I109-Y113 WeakPolarHBondContact O-CD2 3.36Å; I109-Y113 PolarHBondContact O-N 3.05Å; L110-Y113 HydrophobicContact CD2-CD2 4.39Å; L110-Y113 PolarHBondContact O-N 2.99Å; D111-Y113 VanDerWaalsContact C-N 3.33Å; D111-Y113 PolarHBondContact O-N 3.19Å; Y113-N116 PolarHBondContact O-N 2.97Å; Y113-C117 PolarHBondContact O-N 3.35Å; Y113-N143 WeakPolarHBondContact CD2-O 3.21Å; Y113-N143 WeakPolarHBondContact CE2-O 3.43Å; Y113-E144 VanDerWaalsContact CD1-OE2 3.29Å; Y113-E144 WeakPolarHBondContact CD1-OE2 3.48Å
114S95.1Very high93.3Very high14 Ų1436.2 Ų36.210%0.09821%0.21CC..Hα-helixtrans-67.1-38.8177.675.50000112.8L110 D111 H112 C117 D118 I221L110-S114 PolarHBondContact O-N 2.93Å; D111-S114 PolarHBondContact O-N 3.12Å; D111-S114 VanDerWaalsContact O-N 3.1Å; D111-S114 PolarHBondContact O-OG 3.48Å; H112-S114 VanDerWaalsContact C-N 3.35Å; H112-S114 PolarHBondContact O-N 2.9Å; S114-C117 WeakPolarHBondContact O-CB 3.46Å; S114-C117 PolarHBondContact O-N 3.03Å; S114-D118 PolarHBondContact O-N 3.2Å; S114-I221 WeakPolarHBondContact O-CD1 3.48Å
115Q95.4Very high93.8Very high95 Ų9540 Ų4044%0.44423%0.226SC..Hα-helixtrans-65.3-41.9175.8-68.5171.726.100111.8I79 D111 H112 C117 D118 A119I79-Q115 HydrophobicContact CD1-CB 4.33Å; D111-Q115 WeakPolarHBondContact O-CG 3.23Å; D111-Q115 PolarHBondContact O-N 2.89Å; H112-Q115 PolarHBondContact O-N 3.3Å; Q115-C117 VanDerWaalsContact C-N 3.27Å; Q115-C117 PolarHBondContact O-N 3.44Å; Q115-D118 WeakPolarHBondContact O-CB 3.36Å; Q115-D118 PolarHBondContact O-N 3.48Å; Q115-A119 PolarHBondContact O-N 2.84Å
116N95.6Very high94.1Very high3 Ų340.2 Ų40.22%0.01623%0.227CC..Hα-helixtrans-60.5-40.3173.8-179.173.4000111.2I32 Y76 I79 H112 Y113 A119 V120 E144I32-N116 HydrophobicContact CD1-CB 3.53Å; I32-N116 VanDerWaalsContact CG2-ND2 3.3Å; I32-N116 WeakPolarHBondContact CG2-ND2 3.41Å; Y76-N116 VanDerWaalsContact CE2-OD1 3.28Å; Y76-N116 WeakPolarHBondContact CE2-OD1 3.29Å; Y76-N116 VanDerWaalsContact OH-CG 3.32Å; Y76-N116 PolarHBondContact OH-ND2 2.81Å; Y76-N116 PolarHBondContact OH-OD1 3.44Å; I79-N116 HydrophobicContact CD1-CB 3.88Å; I79-N116 HydrophobicContact CG1-CB 4.09Å; H112-N116 WeakPolarHBondContact O-CB 3.49Å; H112-N116 PolarHBondContact O-N 3.47Å; Y113-N116 PolarHBondContact O-N 2.97Å; N116-A119 PolarHBondContact O-N 3.38Å; N116-V120 WeakPolarHBondContact O-CG2 3.23Å; N116-V120 PolarHBondContact O-N 3.23Å; N116-E144 PolarHBondContact ND2-OE2 3.38Å
117C96.8Very high94.7Very high0 Ų037.1 Ų37.10%021%0.211CC..Hα-helixtrans-63.4-42.3176-166.10000112.9Y113 S114 Q115 A119 V120 V121 C146 Y218 I221Y113-C117 PolarHBondContact O-N 3.35Å; S114-C117 WeakPolarHBondContact O-CB 3.46Å; S114-C117 PolarHBondContact O-N 3.03Å; Q115-C117 VanDerWaalsContact C-N 3.27Å; Q115-C117 PolarHBondContact O-N 3.44Å; C117-A119 VanDerWaalsContact C-N 3.29Å; C117-A119 PolarHBondContact O-N 3.27Å; C117-V120 PolarHBondContact O-N 3.28Å; C117-V121 WeakPolarHBondContact O-CB 3.42Å; C117-V121 WeakPolarHBondContact O-CG2 3.09Å; C117-V121 PolarHBondContact O-N 3.41Å; C117-C146 WeakPolarHBondContact CA-SG 3.36Å; C117-C146 HydrophobicContact CB-CB 3.45Å; C117-C146 VanDerWaalsContact CB-CB 3.45Å; C117-C146 WeakPolarHBondContact CB-SG 3.33Å; C117-C146 WeakPolarHBondContact SG-CA 3.2Å; C117-C146 WeakPolarHBondContact SG-CB 3.35Å; C117-C146 CovalentContact SG-SG 2.05Å; C117-C146 PolarHBondContact SG-SG 2.84Å; C117-Y218 HydrophobicContact CB-CD1 4.33Å; C117-Y218 HydrophobicContact CB-CE1 3.91Å; C117-I221 HydrophobicContact CB-CD1 4.15Å
118D96.8Very high95.1Very high44 Ų4437.5 Ų37.524%0.23522%0.217CC..Hα-helixtrans-59.1-40.3174.6-173.551.2000111.9S114 Q115 G122 I221 K224 H225S114-D118 PolarHBondContact O-N 3.2Å; Q115-D118 WeakPolarHBondContact O-CB 3.36Å; Q115-D118 PolarHBondContact O-N 3.48Å; D118-G122 WeakPolarHBondContact O-CA 3.45Å; D118-G122 PolarHBondContact O-N 2.92Å; D118-I221 HydrophobicContact CB-CD1 4.18Å; D118-I221 HydrophobicContact CB-CG1 4.17Å; D118-I221 HydrophobicContact CB-CG2 4.48Å; D118-K224 WeakPolarHBondContact OD1-CD 3.48Å; D118-K224 IonicContact OD1-NZ 2.92Å; D118-K224 PolarHBondContact OD1-NZ 3.43Å; D118-K224 IonicContact OD2-NZ 2.66Å; D118-K224 PolarHBondContact OD2-NZ 2.86Å; D118-H225 PolarHBondContact O-NE2 3.5Å; D118-H225 IonicContact OD1-CD2 3.9Å; D118-H225 IonicContact OD1-CE1 3.5Å; D118-H225 IonicContact OD1-NE2 3.72Å; D118-H225 PolarHBondContact OD1-NE2 3.11Å
119A95.7Very high95.5Very high34 Ų3439 Ų3928%0.28122%0.219SC..Hα-helixtrans-66.1-42.6176.500000112.9I79 Q115 N116 C117 N123I79-A119 HydrophobicContact CG2-CB 4.37Å; Q115-A119 PolarHBondContact O-N 2.84Å; N116-A119 PolarHBondContact O-N 3.38Å; C117-A119 VanDerWaalsContact C-N 3.29Å; C117-A119 PolarHBondContact O-N 3.27Å; A119-N123 PolarHBondContact O-N 2.86Å
120V96.7Very high95.8Very high3 Ų338.2 Ų38.22%0.01822%0.215CC..Hα-helixtrans-66.3-54177.8175.40000110.8L58 Y76 N116 C117 G122 N123 V126 M127 I150L58-V120 HydrophobicContact CD2-CG1 4.2Å; Y76-V120 HydrophobicContact CD1-CG2 4.19Å; Y76-V120 HydrophobicContact CD2-CG2 3.42Å; Y76-V120 VanDerWaalsContact CD2-CG2 3.42Å; Y76-V120 HydrophobicContact CE1-CG2 4.09Å; Y76-V120 HydrophobicContact CE2-CG2 3.3Å; Y76-V120 HydrophobicContact CG-CG2 3.88Å; N116-V120 WeakPolarHBondContact O-CG2 3.23Å; N116-V120 PolarHBondContact O-N 3.23Å; C117-V120 PolarHBondContact O-N 3.28Å; V120-G122 VanDerWaalsContact C-N 3.3Å; V120-G122 PolarHBondContact O-N 3Å; V120-N123 PolarHBondContact O-N 2.94Å; V120-N123 VanDerWaalsContact O-N 3.16Å; V120-V126 HydrophobicContact CG1-CG1 4.43Å; V120-M127 HydrophobicContact CG1-SD 4.41Å; V120-I150 HydrophobicContact CG1-CD1 3.93Å; V120-I150 HydrophobicContact CG1-CG1 4.47Å
121V96.8Very high96.1Very high12 Ų1240.9 Ų40.97%0.07322%0.224CC..Hα-helixtrans-67.3-33.6-175.3175.50000111.3C117 N123 V149 I153 I221 H225 V227C117-V121 WeakPolarHBondContact O-CB 3.42Å; C117-V121 WeakPolarHBondContact O-CG2 3.09Å; C117-V121 PolarHBondContact O-N 3.41Å; V121-N123 PolarHBondContact O-N 2.83Å; V121-V149 HydrophobicContact CG2-CG1 3.92Å; V121-I153 HydrophobicContact CG1-CD1 3.8Å; V121-I153 HydrophobicContact CG2-CD1 4.15Å; V121-I221 HydrophobicContact CB-CG2 4.35Å; V121-H225 HydrophobicContact CG1-CB 3.81Å; V121-V227 HydrophobicContact CG1-CG2 4.37Å
122G96Very high96.3Very high40 Ų4045.3 Ų45.341%0.41224%0.243SC..THydrogen-bonded Turntrans-71.8-12.2176.100000114.8D118 V120 G124 H225D118-G122 WeakPolarHBondContact O-CA 3.45Å; D118-G122 PolarHBondContact O-N 2.92Å; V120-G122 VanDerWaalsContact C-N 3.3Å; V120-G122 PolarHBondContact O-N 3Å; G122-G124 PolarHBondContact O-N 3.22Å; G122-H225 WeakPolarHBondContact CA-CE1 3.22Å
123N97.1Very high96.4Very high39 Ų3944.5 Ų44.521%0.20924%0.242CC..  trans-91.2100.9177.9-170.7-48000111.1P77 A119 V120 V121 E125 V126 M127P77-N123 VanDerWaalsContact CG-ND2 3.26Å; P77-N123 WeakPolarHBondContact CG-ND2 3.48Å; A119-N123 PolarHBondContact O-N 2.86Å; V120-N123 PolarHBondContact O-N 2.94Å; V120-N123 VanDerWaalsContact O-N 3.16Å; V121-N123 PolarHBondContact O-N 2.83Å; N123-E125 VanDerWaalsContact C-N 3.33Å; N123-E125 PolarHBondContact O-N 3.4Å; N123-E125 WeakPolarHBondContact OD1-CB 3.44Å; N123-E125 PolarHBondContact OD1-N 3.13Å; N123-E125 VanDerWaalsContact OD1-N 3.11Å; N123-V126 HydrophobicContact CB-CB 4.04Å; N123-V126 HydrophobicContact CB-CG2 4.02Å; N123-V126 PolarHBondContact O-N 2.97Å; N123-V126 WeakPolarHBondContact OD1-CG2 3.45Å; N123-V126 PolarHBondContact OD1-N 3.42Å; N123-M127 WeakPolarHBondContact O-CG 3.44Å; N123-M127 PolarHBondContact O-N 3.22Å
124G95.9Very high96.5Very high43 Ų4352.4 Ų52.444%0.44328%0.277SS..Hα-helixtrans-61-35.4-178.900000114.3G122 M127 N128G122-G124 PolarHBondContact O-N 3.22Å; G124-M127 PolarHBondContact O-N 3.46Å; G124-N128 VanDerWaalsContact O-CB 3.29Å; G124-N128 WeakPolarHBondContact O-CB 3.42Å; G124-N128 PolarHBondContact O-N 2.79Å; G124-N128 PolarHBondContact O-ND2 2.94Å
125E96.8Very high96.6Very high152 Ų15252.7 Ų52.771%0.7128%0.276SS*.Hα-helixtrans-66.5-47177.8-175.8-175.8166.300111.2N123 M127 N128 R129N123-E125 VanDerWaalsContact C-N 3.33Å; N123-E125 PolarHBondContact O-N 3.4Å; N123-E125 WeakPolarHBondContact OD1-CB 3.44Å; N123-E125 PolarHBondContact OD1-N 3.13Å; N123-E125 VanDerWaalsContact OD1-N 3.11Å; E125-M127 PolarHBondContact O-N 3.25Å; E125-N128 PolarHBondContact O-N 2.94Å; E125-R129 WeakPolarHBondContact O-CB 3.39Å; E125-R129 PolarHBondContact O-N 3.27Å
126V97Very high96.7Very high6 Ų651.5 Ų51.54%0.03627%0.273CS..Hα-helixtrans-58.9-49.7175.1172.10000110.1V120 N123 N128 R129 L130V120-V126 HydrophobicContact CG1-CG1 4.43Å; N123-V126 HydrophobicContact CB-CB 4.04Å; N123-V126 HydrophobicContact CB-CG2 4.02Å; N123-V126 PolarHBondContact O-N 2.97Å; N123-V126 WeakPolarHBondContact OD1-CG2 3.45Å; N123-V126 PolarHBondContact OD1-N 3.42Å; V126-N128 PolarHBondContact O-N 3.49Å; V126-R129 PolarHBondContact O-N 3.38Å; V126-L130 HydrophobicContact CG1-CD1 4.03Å; V126-L130 HydrophobicContact CG1-CG 4.4Å; V126-L130 VanDerWaalsContact O-CG 3.29Å; V126-L130 WeakPolarHBondContact O-CG 3.07Å; V126-L130 PolarHBondContact O-N 3.36Å
127M96.9Very high96.8Very high10 Ų1051.4 Ų51.45%0.04927%0.272CS..Hα-helixtrans-65.5-36.6-178.5-69.1-50-56.800113.1V120 N123 G124 E125 L130 K131 I153 L154V120-M127 HydrophobicContact CG1-SD 4.41Å; N123-M127 WeakPolarHBondContact O-CG 3.44Å; N123-M127 PolarHBondContact O-N 3.22Å; G124-M127 PolarHBondContact O-N 3.46Å; E125-M127 PolarHBondContact O-N 3.25Å; M127-L130 PolarHBondContact O-N 3.07Å; M127-L130 HydrophobicContact SD-CD1 4.19Å; M127-K131 WeakPolarHBondContact O-CG 2.97Å; M127-K131 PolarHBondContact O-N 2.92Å; M127-K131 VanDerWaalsContact O-N 3.08Å; M127-I153 HydrophobicContact CE-CB 3.85Å; M127-I153 HydrophobicContact CE-CD1 3.87Å; M127-I153 HydrophobicContact CE-CG1 4.48Å; M127-I153 HydrophobicContact CE-CG2 3.46Å; M127-I153 VanDerWaalsContact CE-CG2 3.46Å; M127-L154 HydrophobicContact CE-CD2 4.34Å
128N97.1Very high96.8Very high86 Ų8651.4 Ų51.446%0.4627%0.272SS..Hα-helixtrans-66.4-46.3175.5-73.3-17.9000111.4G124 E125 V126 L130 K131 E132G124-N128 VanDerWaalsContact O-CB 3.29Å; G124-N128 WeakPolarHBondContact O-CB 3.42Å; G124-N128 PolarHBondContact O-N 2.79Å; G124-N128 PolarHBondContact O-ND2 2.94Å; E125-N128 PolarHBondContact O-N 2.94Å; V126-N128 PolarHBondContact O-N 3.49Å; N128-L130 VanDerWaalsContact C-N 3.3Å; N128-L130 PolarHBondContact O-N 3.42Å; N128-K131 WeakPolarHBondContact O-CB 3.21Å; N128-K131 PolarHBondContact O-N 3.37Å; N128-K131 VanDerWaalsContact O-N 3.09Å; N128-E132 WeakPolarHBondContact O-CG 3.49Å; N128-E132 PolarHBondContact O-N 3.47Å
129R97.4Very high96.8Very high77 Ų7749.3 Ų49.329%0.29126%0.261SS..Hα-helixtrans-59.9-39.5175.8-179.2173.151.9110.219.5112.4R75 E125 V126 E132 A133R75-R129 PolarHBondContact O-NH2 3.37Å; E125-R129 WeakPolarHBondContact O-CB 3.39Å; E125-R129 PolarHBondContact O-N 3.27Å; V126-R129 PolarHBondContact O-N 3.38Å; R129-E132 PolarHBondContact O-N 2.98Å; R129-A133 WeakPolarHBondContact O-CB 3.33Å; R129-A133 PolarHBondContact O-N 3.43Å
130L97.8Very high96.8Very high1 Ų147.7 Ų47.71%0.00525%0.248CC..Hα-helixtrans-65.9-36.2175.6-69.9178.8000112.5I27 L58 Q74 V126 M127 N128 F135 I150 L154I27-L130 HydrophobicContact CD1-CD2 3.59Å; L58-L130 HydrophobicContact CD1-CD1 4.25Å; L58-L130 HydrophobicContact CD1-CD2 4.32Å; L58-L130 HydrophobicContact CD2-CD1 4.03Å; Q74-L130 HydrophobicContact CB-CD2 4.2Å; Q74-L130 HydrophobicContact CG-CD2 4.14Å; V126-L130 HydrophobicContact CG1-CD1 4.03Å; V126-L130 HydrophobicContact CG1-CG 4.4Å; V126-L130 VanDerWaalsContact O-CG 3.29Å; V126-L130 WeakPolarHBondContact O-CG 3.07Å; V126-L130 PolarHBondContact O-N 3.36Å; M127-L130 PolarHBondContact O-N 3.07Å; M127-L130 HydrophobicContact SD-CD1 4.19Å; N128-L130 VanDerWaalsContact C-N 3.3Å; N128-L130 PolarHBondContact O-N 3.42Å; L130-F135 HydrophobicContact CD2-CE2 4.04Å; L130-I150 HydrophobicContact CD1-CG2 4.35Å; L130-L154 HydrophobicContact CB-CD1 4.26Å; L130-L154 HydrophobicContact CB-CD2 3.86Å
131K96.8Very high96.6Very high106 Ų10647.5 Ų47.546%0.46125%0.247SC..Hα-helixtrans-67-43.9173.6-72.2171.5-176.7174.50111.9M127 N128 A133 K134 L154M127-K131 WeakPolarHBondContact O-CG 2.97Å; M127-K131 PolarHBondContact O-N 2.92Å; M127-K131 VanDerWaalsContact O-N 3.08Å; N128-K131 WeakPolarHBondContact O-CB 3.21Å; N128-K131 PolarHBondContact O-N 3.37Å; N128-K131 VanDerWaalsContact O-N 3.09Å; K131-A133 PolarHBondContact O-N 3.22Å; K131-K134 PolarHBondContact O-N 3.44Å; K131-L154 HydrophobicContact CB-CD2 4.28Å; K131-L154 HydrophobicContact CG-CD2 3.53Å
132E97Very high96.2Very high149 Ų14947.2 Ų47.270%0.69625%0.245SC*.Hα-helixtrans-65.2-29179.5-72.6172.4-17500112.8N128 R129 K134N128-E132 WeakPolarHBondContact O-CG 3.49Å; N128-E132 PolarHBondContact O-N 3.47Å; R129-E132 PolarHBondContact O-N 2.98Å; E132-K134 PolarHBondContact O-N 2.8Å
133A96.2Very high95.7Very high16 Ų1647.9 Ų47.913%0.13224%0.239CC..THydrogen-bonded Turntrans-66.8-19.5-179.600000114.5K25 R129 K131 F135K25-A133 WeakPolarHBondContact CD-O 3.37Å; K25-A133 PolarHBondContact NZ-O 3.2Å; R129-A133 WeakPolarHBondContact O-CB 3.33Å; R129-A133 PolarHBondContact O-N 3.43Å; K131-A133 PolarHBondContact O-N 3.22Å; A133-F135 HydrophobicContact CB-CD2 4.14Å; A133-F135 HydrophobicContact CB-CE1 4.3Å; A133-F135 HydrophobicContact CB-CE2 3.42Å; A133-F135 VanDerWaalsContact CB-CE2 3.42Å; A133-F135 HydrophobicContact CB-CZ 3.51Å
134K95.7Very high95.4Very high170 Ų17046 Ų4674%0.73923%0.229SC*.  trans49.667.5176.1-64179.6-176.5179.70113.8K131 E132K131-K134 PolarHBondContact O-N 3.44Å; E132-K134 PolarHBondContact O-N 2.8Å
135F97.6Very high95.2Very high20 Ų2045 Ų459%0.08821%0.213CC..  trans-73.1146.7175.2-60.8-72.5000112.2K25 I27 H56 Q74 L130 A133 L154 V156K25-F135 HydrophobicContact CB-CD1 4.48Å; K25-F135 HydrophobicContact CD-CD1 4.12Å; K25-F135 HydrophobicContact CD-CE1 4.21Å; K25-F135 HydrophobicContact CG-CD1 3.78Å; K25-F135 HydrophobicContact CG-CE1 4.05Å; I27-F135 HydrophobicContact CB-CD1 3.65Å; I27-F135 HydrophobicContact CB-CD2 4.06Å; I27-F135 HydrophobicContact CB-CE1 3.74Å; I27-F135 HydrophobicContact CB-CE2 4.11Å; I27-F135 HydrophobicContact CB-CG 3.83Å; I27-F135 HydrophobicContact CB-CZ 3.98Å; I27-F135 HydrophobicContact CD1-CD2 4.17Å; I27-F135 HydrophobicContact CD1-CE1 4.35Å; I27-F135 HydrophobicContact CD1-CE2 3.58Å; I27-F135 HydrophobicContact CD1-CZ 3.7Å; I27-F135 HydrophobicContact CG1-CE1 4.44Å; I27-F135 HydrophobicContact CG1-CE2 4.42Å; I27-F135 HydrophobicContact CG1-CZ 4.27Å; I27-F135 HydrophobicContact CG2-CB 3.97Å; I27-F135 HydrophobicContact CG2-CD1 3.95Å; I27-F135 HydrophobicContact CG2-CD2 3.76Å; I27-F135 HydrophobicContact CG2-CE1 4.44Å; I27-F135 HydrophobicContact CG2-CE2 4.24Å; I27-F135 HydrophobicContact CG2-CG 3.6Å; H56-F135 HydrophobicContact CB-CE1 3.88Å; H56-F135 HydrophobicContact CB-CZ 4.24Å; H56-F135 AromaticContact CD2-CE1 3.56Å; H56-F135 AromaticContact CG-CE1 3.66Å; Q74-F135 HydrophobicContact CG-CZ 4.43Å; L130-F135 HydrophobicContact CD2-CE2 4.04Å; A133-F135 HydrophobicContact CB-CD2 4.14Å; A133-F135 HydrophobicContact CB-CE1 4.3Å; A133-F135 HydrophobicContact CB-CE2 3.42Å; A133-F135 VanDerWaalsContact CB-CE2 3.42Å; A133-F135 HydrophobicContact CB-CZ 3.51Å; F135-L154 HydrophobicContact CD2-CD1 4.32Å; F135-V156 HydrophobicContact CB-CG2 4.35Å; F135-V156 VanDerWaalsContact O-CG2 3.23Å; F135-V156 WeakPolarHBondContact O-CG2 3.4Å
136D96.7Very high95.2Very high71 Ų7137.8 Ų37.838%0.3818%0.18SC..SBendtrans-89.8-29.5175.7-62.3-65.2000112.5G24 K25 V156 L455G24-D136 WeakPolarHBondContact CA-OD2 3.49Å; K25-D136 PolarHBondContact N-OD2 3.27Å; K25-D136 PolarHBondContact O-N 3.37Å; D136-V156 VanDerWaalsContact C-CG2 3.47Å; D136-L455 HydrophobicContact CB-CD2 3.77Å
137L97.4Very high95.2Very high0 Ų037.5 Ų37.50%018%0.178CC..EExtended strand (participates in β ladder)trans-149.2142.6-178.5-176.471.1000111I26 I27 L139 Q157 I451 I454 L455I26-L137 WeakPolarHBondContact CA-O 3.5Å; I26-L137 HydrophobicContact CG1-CB 4.36Å; I27-L137 PolarHBondContact N-O 3.49Å; L137-L139 HydrophobicContact CD2-CD2 3.84Å; L137-L139 HydrophobicContact CG-CD2 4.28Å; L137-Q157 WeakPolarHBondContact CA-O 3.43Å; L137-Q157 HydrophobicContact CD1-CB 4.43Å; L137-I451 HydrophobicContact CD2-CG2 3.83Å; L137-I454 HydrophobicContact CD1-CG2 3.99Å; L137-L455 HydrophobicContact CB-CD2 3.97Å
138L97.8Very high95.2Very high0 Ų037.1 Ų37.10%018%0.176CC..EExtended strand (participates in β ladder)trans-112.1129.4168.4-168.9152.6000110.7I27 V29 V140 G147 I150 A151 V156 Q157 Y158 A159I27-L138 HydrophobicContact CG2-CB 3.9Å; I27-L138 HydrophobicContact CG2-CD1 3.77Å; I27-L138 HydrophobicContact CG2-CG 3.74Å; I27-L138 CarbonylContact O-C 3.51Å; I27-L138 VanDerWaalsContact O-CA 3.28Å; I27-L138 WeakPolarHBondContact O-CA 3.36Å; V29-L138 HydrophobicContact CG2-CD1 4.35Å; V29-L138 HydrophobicContact CG2-CD2 4.37Å; L138-V140 HydrophobicContact CD2-CB 4.35Å; L138-V140 HydrophobicContact CD2-CG2 3.24Å; L138-G147 WeakPolarHBondContact CD2-O 3.41Å; L138-I150 HydrophobicContact CD1-CB 4.3Å; L138-I150 HydrophobicContact CD1-CG2 3.83Å; L138-A151 HydrophobicContact CB-CB 4.25Å; L138-A151 HydrophobicContact CD1-CB 4.04Å; L138-A151 HydrophobicContact CD2-CB 4.33Å; L138-A151 HydrophobicContact CG-CB 4.44Å; L138-V156 HydrophobicContact CB-CG1 3.87Å; L138-V156 HydrophobicContact CD1-CG1 4.48Å; L138-Q157 PolarHBondContact N-O 3.45Å; L138-Y158 CarbonylContact O-C 3.53Å; L138-Y158 WeakPolarHBondContact O-CA 3.25Å; L138-Y158 VanDerWaalsContact O-CB 3.23Å; L138-Y158 WeakPolarHBondContact O-CB 3.47Å; L138-A159 PolarHBondContact O-N 3.44Å
139L97.3Very high95.2Very high0 Ų033 Ų330%015%0.154CC..EExtended strand (participates in β ladder)trans-95.7121.6171.2-58.2-176.4000110I26 I27 V28 V29 L44 L137 A159 M244 I451I26-L139 HydrophobicContact CG2-CD1 4.09Å; I26-L139 HydrophobicContact CG2-CG 3.87Å; I27-L139 PolarHBondContact O-N 3.06Å; V28-L139 HydrophobicContact CG1-CB 4.3Å; V28-L139 HydrophobicContact CG2-CB 4.13Å; V28-L139 HydrophobicContact CG2-CD1 4.11Å; V28-L139 HydrophobicContact CG2-CG 4.41Å; V29-L139 PolarHBondContact N-O 3.36Å; L44-L139 HydrophobicContact CD2-CD1 3.65Å; L137-L139 HydrophobicContact CD2-CD2 3.84Å; L137-L139 HydrophobicContact CG-CD2 4.28Å; L139-A159 WeakPolarHBondContact CA-O 3.41Å; L139-A159 HydrophobicContact CD2-CB 4.11Å; L139-M244 HydrophobicContact CD2-CE 3.95Å; L139-I451 HydrophobicContact CD1-CD1 3.87Å; L139-I451 HydrophobicContact CD2-CD1 4.33Å; L139-I451 HydrophobicContact CD2-CG1 4.28Å
140V94.8Very high95.2Very high0 Ų029.3 Ų29.30%014%0.14CC..EExtended strand (participates in β ladder)trans-105.2123.5-177.9-174.10000109.8L138 F148 Y158 A159 V160 F161L138-V140 HydrophobicContact CD2-CB 4.35Å; L138-V140 HydrophobicContact CD2-CG2 3.24Å; V140-F148 HydrophobicContact CB-CD1 4.46Å; V140-F148 HydrophobicContact CB-CE1 4.14Å; V140-F148 HydrophobicContact CB-CZ 4.2Å; V140-F148 HydrophobicContact CG1-CD1 4.15Å; V140-F148 HydrophobicContact CG1-CD2 3.74Å; V140-F148 HydrophobicContact CG1-CE1 3.94Å; V140-F148 HydrophobicContact CG1-CE2 3.54Å; V140-F148 HydrophobicContact CG1-CG 4.05Å; V140-F148 HydrophobicContact CG1-CZ 3.64Å; V140-F148 HydrophobicContact CG2-CD1 4.09Å; V140-F148 HydrophobicContact CG2-CE1 4.18Å; V140-F148 HydrophobicContact CG2-CG 4.48Å; V140-Y158 HydrophobicContact CG2-CD2 4.37Å; V140-A159 PolarHBondContact N-O 3.03Å; V140-V160 CarbonylContact O-C 3.55Å; V140-V160 WeakPolarHBondContact O-CA 3.47Å; V140-F161 PolarHBondContact O-N 3.34Å
141D92.1Very high95.2Very high0 Ų029.3 Ų29.30%014%0.14CC..  trans-81.6123.2160.6-169.5-40.1000107.9P31 H37 F41 N143 E144 F161 T163P31-D141 WeakPolarHBondContact CD-OD2 3.42Å; P31-D141 HydrophobicContact CG-CB 3.94Å; P31-D141 VanDerWaalsContact CG-CG 3.49Å; P31-D141 WeakPolarHBondContact CG-OD2 3.12Å; H37-D141 IonicContact ND1-OD2 3.95Å; H37-D141 PolarHBondContact ND1-OD2 3.46Å; F41-D141 HydrophobicContact CE2-CB 4.24Å; F41-D141 HydrophobicContact CZ-CB 4.04Å; D141-N143 PolarHBondContact O-N 2.93Å; D141-N143 VanDerWaalsContact O-N 3.16Å; D141-N143 VanDerWaalsContact OD1-CB 3.31Å; D141-N143 WeakPolarHBondContact OD1-CB 3.5Å; D141-N143 PolarHBondContact OD1-N 3.45Å; D141-N143 PolarHBondContact OD1-ND2 2.96Å; D141-E144 CarbonylContact O-C 3.56Å; D141-E144 WeakPolarHBondContact O-CA 3.3Å; D141-E144 PolarHBondContact O-N 3.36Å; D141-F161 WeakPolarHBondContact CA-O 3.3Å; D141-T163 VanDerWaalsContact CG-OG1 3.26Å; D141-T163 PolarHBondContact OD1-OG1 3.14Å; D141-T163 WeakPolarHBondContact OD2-CB 3.48Å; D141-T163 VanDerWaalsContact OD2-CG2 3.23Å; D141-T163 WeakPolarHBondContact OD2-CG2 3.28Å; D141-T163 PolarHBondContact OD2-OG1 2.98Å
142P89.1Confident95.3Very high5 Ų526 Ų263%0.03213%0.126CC..THydrogen-bonded Turntrans-71.1-11.1-175.432.9-35.6000112.8E144 M145 V160 W166P142-E144 VanDerWaalsContact C-N 3.28Å; P142-M145 VanDerWaalsContact O-CG 3.25Å; P142-M145 WeakPolarHBondContact O-CG 3.47Å; P142-V160 HydrophobicContact CB-CG1 4.23Å; P142-V160 HydrophobicContact CG-CG1 3.94Å; P142-W166 HydrophobicContact CB-CZ3 3.98Å; P142-W166 HydrophobicContact CG-CE3 4.35Å; P142-W166 HydrophobicContact CG-CZ3 4.22Å
143N85.3Confident95.3Very high54 Ų5420.5 Ų20.529%0.28910%0.101SC..THydrogen-bonded Turntrans-71.3-25.9166.2-61.1-65.6000112.1P31 Y113 D141P31-N143 HydrophobicContact CG-CB 4.39Å; Y113-N143 WeakPolarHBondContact CD2-O 3.21Å; Y113-N143 WeakPolarHBondContact CE2-O 3.43Å; D141-N143 PolarHBondContact O-N 2.93Å; D141-N143 VanDerWaalsContact O-N 3.16Å; D141-N143 VanDerWaalsContact OD1-CB 3.31Å; D141-N143 WeakPolarHBondContact OD1-CB 3.5Å; D141-N143 PolarHBondContact OD1-N 3.45Å; D141-N143 PolarHBondContact OD1-ND2 2.96Å
144E90.4Very high95.3Very high0 Ų021.4 Ų21.40%010%0.104CC..SBendtrans-112.775.8174.1179.448.8-87.200109.6V29 P31 Y113 N116 D141 P142 C146 G147V29-E144 HydrophobicContact CG1-CG 3.76Å; P31-E144 HydrophobicContact CB-CB 4.39Å; P31-E144 HydrophobicContact CG-CB 4.17Å; Y113-E144 VanDerWaalsContact CD1-OE2 3.29Å; Y113-E144 WeakPolarHBondContact CD1-OE2 3.48Å; N116-E144 PolarHBondContact ND2-OE2 3.38Å; D141-E144 CarbonylContact O-C 3.56Å; D141-E144 WeakPolarHBondContact O-CA 3.3Å; D141-E144 PolarHBondContact O-N 3.36Å; P142-E144 VanDerWaalsContact C-N 3.28Å; E144-C146 PolarHBondContact O-N 2.97Å; E144-C146 WeakPolarHBondContact OE1-CB 2.96Å; E144-C146 PolarHBondContact OE1-N 3.39Å; E144-C146 VanDerWaalsContact OE1-N 3.15Å; E144-G147 PolarHBondContact O-N 3.38Å
145M92.7Very high95.3Very high22 Ų2216.7 Ų16.711%0.10810%0.103CC..THydrogen-bonded Turntrans-63.3-11.6-174.5-66.7-173177.800114P142 G147 F148 V214 L215 Y218 M233P142-M145 VanDerWaalsContact O-CG 3.25Å; P142-M145 WeakPolarHBondContact O-CG 3.47Å; M145-G147 PolarHBondContact O-N 2.97Å; M145-G147 VanDerWaalsContact O-N 3.14Å; M145-F148 HydrophobicContact CB-CD2 4.19Å; M145-F148 HydrophobicContact CG-CE2 4.46Å; M145-F148 WeakPolarHBondContact O-CD2 3.29Å; M145-F148 PolarHBondContact O-N 3.36Å; M145-F148 VanDerWaalsContact O-N 3.11Å; M145-V214 HydrophobicContact CE-CG1 3.99Å; M145-V214 HydrophobicContact SD-CG1 3.8Å; M145-L215 HydrophobicContact SD-CD2 4.06Å; M145-Y218 HydrophobicContact CB-CD1 4.46Å; M145-Y218 HydrophobicContact CB-CD2 4.36Å; M145-Y218 HydrophobicContact CB-CE1 3.93Å; M145-Y218 HydrophobicContact CB-CE2 3.82Å; M145-Y218 HydrophobicContact CG-CE2 4.36Å; M145-Y218 HydrophobicContact SD-CD2 4.32Å; M145-Y218 HydrophobicContact SD-CE2 3.87Å; M145-M233 HydrophobicContact CB-CE 3.78Å; M145-M233 HydrophobicContact CG-CE 4.45Å; M145-M233 HydrophobicContact SD-CE 4.46Å
146C95.9Very high95.2Very high1 Ų116.6 Ų16.61%0.00710%0.104CC..Hα-helixtrans-59.8-26.3176.4-156.70000113C117 E144 F148 V149 I150C117-C146 WeakPolarHBondContact CA-SG 3.36Å; C117-C146 HydrophobicContact CB-CB 3.45Å; C117-C146 VanDerWaalsContact CB-CB 3.45Å; C117-C146 WeakPolarHBondContact CB-SG 3.33Å; C117-C146 WeakPolarHBondContact SG-CA 3.2Å; C117-C146 WeakPolarHBondContact SG-CB 3.35Å; C117-C146 CovalentContact SG-SG 2.05Å; C117-C146 PolarHBondContact SG-SG 2.84Å; E144-C146 PolarHBondContact O-N 2.97Å; E144-C146 WeakPolarHBondContact OE1-CB 2.96Å; E144-C146 PolarHBondContact OE1-N 3.39Å; E144-C146 VanDerWaalsContact OE1-N 3.15Å; C146-F148 PolarHBondContact O-N 2.82Å; C146-V149 PolarHBondContact O-N 3.36Å; C146-V149 VanDerWaalsContact O-N 3.08Å; C146-I150 HydrophobicContact CB-CD1 4.41Å; C146-I150 WeakPolarHBondContact O-CG1 3.45Å; C146-I150 PolarHBondContact O-N 2.96Å
147G96.5Very high95.1Very high0 Ų015.7 Ų15.70%010%0.098CC..Hα-helixtrans-54.4-37.217500000113.2L138 E144 M145 A151L138-G147 WeakPolarHBondContact CD2-O 3.41Å; E144-G147 PolarHBondContact O-N 3.38Å; M145-G147 PolarHBondContact O-N 2.97Å; M145-G147 VanDerWaalsContact O-N 3.14Å; G147-A151 VanDerWaalsContact O-CB 3.29Å; G147-A151 WeakPolarHBondContact O-CB 3.33Å; G147-A151 PolarHBondContact O-N 2.8Å
148F97.4Very high95.1Very high1 Ų116.7 Ų16.70%0.00410%0.102CC..Hα-helixtrans-65.7-44175.9-62.9-68.2000112.1V140 M145 C146 A151 H152 Y158 V160 M233 L236 V237 S240V140-F148 HydrophobicContact CB-CD1 4.46Å; V140-F148 HydrophobicContact CB-CE1 4.14Å; V140-F148 HydrophobicContact CB-CZ 4.2Å; V140-F148 HydrophobicContact CG1-CD1 4.15Å; V140-F148 HydrophobicContact CG1-CD2 3.74Å; V140-F148 HydrophobicContact CG1-CE1 3.94Å; V140-F148 HydrophobicContact CG1-CE2 3.54Å; V140-F148 HydrophobicContact CG1-CG 4.05Å; V140-F148 HydrophobicContact CG1-CZ 3.64Å; V140-F148 HydrophobicContact CG2-CD1 4.09Å; V140-F148 HydrophobicContact CG2-CE1 4.18Å; V140-F148 HydrophobicContact CG2-CG 4.48Å; M145-F148 HydrophobicContact CB-CD2 4.19Å; M145-F148 HydrophobicContact CG-CE2 4.46Å; M145-F148 WeakPolarHBondContact O-CD2 3.29Å; M145-F148 PolarHBondContact O-N 3.36Å; M145-F148 VanDerWaalsContact O-N 3.11Å; C146-F148 PolarHBondContact O-N 2.82Å; F148-A151 PolarHBondContact O-N 3.22Å; F148-H152 PolarHBondContact O-N 3.18Å; F148-Y158 AromaticContact CD1-CD2 3.8Å; F148-Y158 HydrophobicContact CD1-CD2 3.8Å; F148-Y158 AromaticContact CD1-CE2 3.59Å; F148-Y158 HydrophobicContact CD1-CE2 3.59Å; F148-Y158 HydrophobicContact CE1-CD2 4.01Å; F148-Y158 AromaticContact CE1-CE2 3.94Å; F148-Y158 HydrophobicContact CE1-CE2 3.94Å; F148-V160 HydrophobicContact CE1-CG2 3.71Å; F148-V160 HydrophobicContact CZ-CG2 3.64Å; F148-M233 HydrophobicContact CB-CE 3.61Å; F148-M233 HydrophobicContact CB-SD 4.34Å; F148-M233 HydrophobicContact CD2-CE 3.5Å; F148-M233 VanDerWaalsContact CD2-CE 3.5Å; F148-M233 HydrophobicContact CG-CE 3.9Å; F148-L236 HydrophobicContact CB-CB 4.2Å; F148-V237 HydrophobicContact CD2-CG2 4.01Å; F148-V237 HydrophobicContact CE2-CG1 4.39Å; F148-V237 HydrophobicContact CE2-CG2 3.96Å; F148-V237 HydrophobicContact CG-CG2 4.38Å; F148-V237 HydrophobicContact CZ-CB 4.5Å; F148-V237 HydrophobicContact CZ-CG1 4.06Å; F148-V237 HydrophobicContact CZ-CG2 4.29Å; F148-S240 WeakPolarHBondContact CE1-OG 3.42Å
149V97.9Very high95Very high0 Ų016.7 Ų16.70%010%0.102CC..Hα-helixtrans-64.6-45.3178.7178.50000110.5V121 C146 H152 I153 Y218 M222 M233V121-V149 HydrophobicContact CG2-CG1 3.92Å; C146-V149 PolarHBondContact O-N 3.36Å; C146-V149 VanDerWaalsContact O-N 3.08Å; V149-H152 WeakPolarHBondContact O-CB 3.35Å; V149-H152 PolarHBondContact O-N 2.85Å; V149-I153 HydrophobicContact CG1-CD1 3.94Å; V149-I153 WeakPolarHBondContact O-CG1 3.41Å; V149-I153 PolarHBondContact O-N 3.46Å; V149-Y218 HydrophobicContact CG2-CD1 4.24Å; V149-M222 HydrophobicContact CG1-CG 3.7Å; V149-M222 HydrophobicContact CG1-SD 4.24Å; V149-M222 HydrophobicContact CG2-CG 4.13Å; V149-M222 HydrophobicContact CG2-SD 4.18Å; V149-M233 HydrophobicContact CG2-SD 3.87Å
150I97.7Very high94.9Very high0 Ų016.7 Ų16.70%010%0.102CC..Hα-helixtrans-62.2-46.8177.5-66.6164.9000109.8V29 L58 V120 L130 L138 C146 H152 I153 L154V29-I150 HydrophobicContact CG2-CD1 4.18Å; L58-I150 HydrophobicContact CD2-CD1 3.63Å; V120-I150 HydrophobicContact CG1-CD1 3.93Å; V120-I150 HydrophobicContact CG1-CG1 4.47Å; L130-I150 HydrophobicContact CD1-CG2 4.35Å; L138-I150 HydrophobicContact CD1-CB 4.3Å; L138-I150 HydrophobicContact CD1-CG2 3.83Å; C146-I150 HydrophobicContact CB-CD1 4.41Å; C146-I150 WeakPolarHBondContact O-CG1 3.45Å; C146-I150 PolarHBondContact O-N 2.96Å; I150-H152 VanDerWaalsContact C-N 3.26Å; I150-H152 PolarHBondContact O-N 2.81Å; I150-I153 PolarHBondContact O-N 3.34Å; I150-I153 VanDerWaalsContact O-N 3.13Å; I150-L154 HydrophobicContact CG2-CD1 3.73Å; I150-L154 HydrophobicContact CG2-CG 4.1Å; I150-L154 VanDerWaalsContact O-CG 3.26Å; I150-L154 WeakPolarHBondContact O-CG 3.44Å; I150-L154 PolarHBondContact O-N 3.47Å
151A97.4Very high94.9Very high0 Ų016.7 Ų16.70%010%0.102CC..Hα-helixtrans-58.2-41179.400000112.2L138 G147 F148 L154 G155 V156 Y158L138-A151 HydrophobicContact CB-CB 4.25Å; L138-A151 HydrophobicContact CD1-CB 4.04Å; L138-A151 HydrophobicContact CD2-CB 4.33Å; L138-A151 HydrophobicContact CG-CB 4.44Å; G147-A151 VanDerWaalsContact O-CB 3.29Å; G147-A151 WeakPolarHBondContact O-CB 3.33Å; G147-A151 PolarHBondContact O-N 2.8Å; F148-A151 PolarHBondContact O-N 3.22Å; A151-L154 PolarHBondContact O-N 2.77Å; A151-G155 PolarHBondContact O-N 2.81Å; A151-V156 HydrophobicContact CB-CG1 4.02Å; A151-V156 PolarHBondContact O-N 2.72Å; A151-V156 VanDerWaalsContact O-N 3.13Å; A151-Y158 HydrophobicContact CB-CD1 3.39Å; A151-Y158 HydrophobicContact CB-CE1 4.1Å; A151-Y158 HydrophobicContact CB-CG 3.85Å
152H97.7Very high94.8Very high37 Ų3716.8 Ų16.817%0.17110%0.102CC..Hα-helixtrans-62.4-45.7175-17462.7000112.6F148 V149 I150 L154 G155 P229 L236F148-H152 PolarHBondContact O-N 3.18Å; V149-H152 WeakPolarHBondContact O-CB 3.35Å; V149-H152 PolarHBondContact O-N 2.85Å; I150-H152 VanDerWaalsContact C-N 3.26Å; I150-H152 PolarHBondContact O-N 2.81Å; H152-L154 VanDerWaalsContact C-N 3.31Å; H152-L154 PolarHBondContact O-N 3.01Å; H152-G155 PolarHBondContact O-N 2.8Å; H152-P229 PolarHBondContact NE2-O 3.15Å; H152-L236 HydrophobicContact CB-CD1 3.93Å; H152-L236 HydrophobicContact CB-CD2 3.94Å
153I97.3Very high94.8Very high33 Ų3316.7 Ų16.717%0.16910%0.102CC..Hα-helixtrans-64.3-36.3177.6-64.8162.8000111.9V121 M127 V149 I150 G155 V227V121-I153 HydrophobicContact CG1-CD1 3.8Å; V121-I153 HydrophobicContact CG2-CD1 4.15Å; M127-I153 HydrophobicContact CE-CB 3.85Å; M127-I153 HydrophobicContact CE-CD1 3.87Å; M127-I153 HydrophobicContact CE-CG1 4.48Å; M127-I153 HydrophobicContact CE-CG2 3.46Å; M127-I153 VanDerWaalsContact CE-CG2 3.46Å; V149-I153 HydrophobicContact CG1-CD1 3.94Å; V149-I153 WeakPolarHBondContact O-CG1 3.41Å; V149-I153 PolarHBondContact O-N 3.46Å; I150-I153 PolarHBondContact O-N 3.34Å; I150-I153 VanDerWaalsContact O-N 3.13Å; I153-G155 VanDerWaalsContact C-N 3.33Å; I153-V227 HydrophobicContact CD1-CG1 4.45Å; I153-V227 HydrophobicContact CD1-CG2 3.82Å; I153-V227 HydrophobicContact CG1-CB 4.46Å; I153-V227 HydrophobicContact CG1-CG1 3.69Å; I153-V227 HydrophobicContact CG1-CG2 3.92Å
154L96.9Very high94.6Very high36 Ų3614.5 Ų14.519%0.1889%0.092CC..Hα-helixtrans-79.6-15.3179.2-61.3-176.5000112.9M127 L130 K131 F135 I150 A151 H152 V156M127-L154 HydrophobicContact CE-CD2 4.34Å; L130-L154 HydrophobicContact CB-CD1 4.26Å; L130-L154 HydrophobicContact CB-CD2 3.86Å; K131-L154 HydrophobicContact CB-CD2 4.28Å; K131-L154 HydrophobicContact CG-CD2 3.53Å; F135-L154 HydrophobicContact CD2-CD1 4.32Å; I150-L154 HydrophobicContact CG2-CD1 3.73Å; I150-L154 HydrophobicContact CG2-CG 4.1Å; I150-L154 VanDerWaalsContact O-CG 3.26Å; I150-L154 WeakPolarHBondContact O-CG 3.44Å; I150-L154 PolarHBondContact O-N 3.47Å; A151-L154 PolarHBondContact O-N 2.77Å; H152-L154 VanDerWaalsContact C-N 3.31Å; H152-L154 PolarHBondContact O-N 3.01Å; L154-V156 HydrophobicContact CB-CB 4.36Å; L154-V156 HydrophobicContact CB-CG1 3.98Å; L154-V156 PolarHBondContact O-N 3.46Å
155G95.8Very high93.8Very high71 Ų7114.6 Ų14.673%0.7329%0.092SC*.THydrogen-bonded Turntrans65.525.1-173.700000113.3A151 H152 I153A151-G155 PolarHBondContact O-N 2.81Å; H152-G155 PolarHBondContact O-N 2.8Å; I153-G155 VanDerWaalsContact C-N 3.33Å
156V95.4Very high92.9Very high18 Ų1815.9 Ų15.911%0.10910%0.096CC..  trans-97.5148.3-176.769.60000110.7F135 D136 L138 A151 L154F135-V156 HydrophobicContact CB-CG2 4.35Å; F135-V156 VanDerWaalsContact O-CG2 3.23Å; F135-V156 WeakPolarHBondContact O-CG2 3.4Å; D136-V156 VanDerWaalsContact C-CG2 3.47Å; L138-V156 HydrophobicContact CB-CG1 3.87Å; L138-V156 HydrophobicContact CD1-CG1 4.48Å; A151-V156 HydrophobicContact CB-CG1 4.02Å; A151-V156 PolarHBondContact O-N 2.72Å; A151-V156 VanDerWaalsContact O-N 3.13Å; L154-V156 HydrophobicContact CB-CB 4.36Å; L154-V156 HydrophobicContact CB-CG1 3.98Å; L154-V156 PolarHBondContact O-N 3.46Å
157Q94.7Very high92.1Very high51 Ų5117 Ų1724%0.23810%0.1CC..EExtended strand (participates in β ladder)trans-68.6151.4171.9-54.7-168.3-16.800110L137 L138 R241 S458L137-Q157 WeakPolarHBondContact CA-O 3.43Å; L137-Q157 HydrophobicContact CD1-CB 4.43Å; L138-Q157 PolarHBondContact N-O 3.45Å; Q157-R241 HydrophobicContact CB-CG 4.35Å; Q157-S458 PolarHBondContact NE2-O 3.18Å; Q157-S458 PolarHBondContact OE1-O 2.91Å
158Y96.6Very high91.3Very high22 Ų2217 Ų179%0.08610%0.1CC..EExtended strand (participates in β ladder)trans-140.7150179.953.7-84.3000112.7L138 V140 F148 A151 L236 G239 R241L138-Y158 CarbonylContact O-C 3.53Å; L138-Y158 WeakPolarHBondContact O-CA 3.25Å; L138-Y158 VanDerWaalsContact O-CB 3.23Å; L138-Y158 WeakPolarHBondContact O-CB 3.47Å; V140-Y158 HydrophobicContact CG2-CD2 4.37Å; F148-Y158 AromaticContact CD1-CD2 3.8Å; F148-Y158 HydrophobicContact CD1-CD2 3.8Å; F148-Y158 AromaticContact CD1-CE2 3.59Å; F148-Y158 HydrophobicContact CD1-CE2 3.59Å; F148-Y158 HydrophobicContact CE1-CD2 4.01Å; F148-Y158 AromaticContact CE1-CE2 3.94Å; F148-Y158 HydrophobicContact CE1-CE2 3.94Å; A151-Y158 HydrophobicContact CB-CD1 3.39Å; A151-Y158 HydrophobicContact CB-CE1 4.1Å; A151-Y158 HydrophobicContact CB-CG 3.85Å; Y158-L236 VanDerWaalsContact CE2-O 3.25Å; Y158-L236 WeakPolarHBondContact CE2-O 3.35Å; Y158-L236 VanDerWaalsContact CZ-O 3.31Å; Y158-L236 PolarHBondContact OH-O 3.41Å; Y158-G239 WeakPolarHBondContact OH-CA 3.46Å; Y158-R241 WeakPolarHBondContact O-CB 3.49Å; Y158-R241 WeakPolarHBondContact O-CG 3.34Å; Y158-R241 PolarHBondContact O-N 2.65Å
159A95.9Very high90.5Very high0 Ų018.2 Ų18.20%011%0.11CC..EExtended strand (participates in β ladder)trans-125.1145.2173.100000109.1L138 L139 V140 L242 M244 I454L138-A159 PolarHBondContact O-N 3.44Å; L139-A159 WeakPolarHBondContact CA-O 3.41Å; L139-A159 HydrophobicContact CD2-CB 4.11Å; V140-A159 PolarHBondContact N-O 3.03Å; A159-L242 HydrophobicContact CB-CB 4.24Å; A159-M244 HydrophobicContact CB-CE 3.98Å; A159-I454 HydrophobicContact CB-CD1 3.74Å
160V95.1Very high89.8Confident0 Ų019.5 Ų19.50%012%0.116CC..EExtended strand (participates in β ladder)trans-84133.6175.9177.40000109.1V140 P142 F148 S240 L242 W243 M244V140-V160 CarbonylContact O-C 3.55Å; V140-V160 WeakPolarHBondContact O-CA 3.47Å; P142-V160 HydrophobicContact CB-CG1 4.23Å; P142-V160 HydrophobicContact CG-CG1 3.94Å; F148-V160 HydrophobicContact CE1-CG2 3.71Å; F148-V160 HydrophobicContact CZ-CG2 3.64Å; V160-S240 WeakPolarHBondContact CG2-OG 3.42Å; V160-L242 PolarHBondContact N-O 3.48Å; V160-W243 HydrophobicContact CB-CD2 3.96Å; V160-W243 HydrophobicContact CB-CE3 3.55Å; V160-W243 HydrophobicContact CB-CZ3 3.93Å; V160-W243 HydrophobicContact CG1-CD2 4.37Å; V160-W243 HydrophobicContact CG1-CE3 3.48Å; V160-W243 VanDerWaalsContact CG1-CE3 3.48Å; V160-W243 HydrophobicContact CG1-CZ3 3.65Å; V160-W243 HydrophobicContact CG2-CD2 4.06Å; V160-W243 HydrophobicContact CG2-CE3 3.77Å; V160-W243 HydrophobicContact CG2-CH2 3.99Å; V160-W243 HydrophobicContact CG2-CZ2 4.27Å; V160-W243 HydrophobicContact CG2-CZ3 3.71Å; V160-M244 WeakPolarHBondContact O-CB 3.46Å; V160-M244 PolarHBondContact O-N 2.99Å
161F94.4Very high89.3Confident0 Ų019.5 Ų19.50%012%0.116CC..EExtended strand (participates in β ladder)trans-121.491.6170.2-164.2-69.7000107.6I40 F41 L44 V140 D141 T163 M244 C246 I264 I267 A447I40-F161 HydrophobicContact CG2-CD1 4.45Å; I40-F161 HydrophobicContact CG2-CE1 3.43Å; I40-F161 VanDerWaalsContact CG2-CE1 3.43Å; I40-F161 HydrophobicContact CG2-CZ 3.9Å; F41-F161 HydrophobicContact CE1-CB 3.97Å; F41-F161 AromaticContact CE1-CD1 3.67Å; F41-F161 HydrophobicContact CE1-CD1 3.67Å; F41-F161 HydrophobicContact CE1-CE1 4.34Å; F41-F161 AromaticContact CE1-CG 3.83Å; F41-F161 HydrophobicContact CE1-CG 3.83Å; F41-F161 HydrophobicContact CZ-CB 4.37Å; F41-F161 HydrophobicContact CZ-CD1 4.05Å; F41-F161 HydrophobicContact CZ-CG 4.45Å; L44-F161 HydrophobicContact CD1-CE2 4.36Å; L44-F161 HydrophobicContact CD2-CD2 3.89Å; L44-F161 HydrophobicContact CD2-CE2 3.58Å; L44-F161 HydrophobicContact CD2-CZ 4.23Å; L44-F161 HydrophobicContact CG-CE2 4.49Å; V140-F161 PolarHBondContact O-N 3.34Å; D141-F161 WeakPolarHBondContact CA-O 3.3Å; F161-T163 HydrophobicContact CD1-CG2 4.07Å; F161-T163 HydrophobicContact CE1-CG2 4.32Å; F161-T163 PolarHBondContact O-N 2.93Å; F161-M244 CarbonylContact C-O 3.59Å; F161-M244 WeakPolarHBondContact CA-O 3.4Å; F161-M244 HydrophobicContact CB-CE 4.36Å; F161-M244 HydrophobicContact CD2-CB 4.23Å; F161-M244 HydrophobicContact CD2-CE 3.83Å; F161-M244 HydrophobicContact CD2-SD 4.12Å; F161-C246 WeakPolarHBondContact CE1-SG 3.24Å; F161-I264 HydrophobicContact CD1-CD1 4.38Å; F161-I264 HydrophobicContact CD2-CD1 3.85Å; F161-I264 HydrophobicContact CE1-CD1 3.81Å; F161-I264 HydrophobicContact CE2-CD1 3.22Å; F161-I264 HydrophobicContact CG-CD1 4.4Å; F161-I264 HydrophobicContact CZ-CD1 3.21Å; F161-I267 HydrophobicContact CZ-CD1 4.14Å; F161-I267 HydrophobicContact CZ-CG1 4.1Å; F161-A447 HydrophobicContact CE2-CB 4.04Å
162S91.8Very high88.7Confident1 Ų120.2 Ų20.21%0.00712%0.123CC..EExtended strand (participates in β ladder)trans-83.1111.6-176-175.30000110.6M244 C246S162-M244 PolarHBondContact N-O 3.36Å; S162-C246 WeakPolarHBondContact O-CA 3.25Å; S162-C246 WeakPolarHBondContact O-CB 3.19Å; S162-C246 PolarHBondContact O-N 3.33Å; S162-C246 PolarHBondContact O-SG 3.45Å
163T88Confident88.4Confident4 Ų418.7 Ų18.73%0.02512%0.117CC..  trans-87.1-10.4-176.349.90000114.4H37 I40 F41 D141 F161H37-T163 HydrophobicContact CB-CG2 4.5Å; H37-T163 PolarHBondContact CE1-OG1 3.17Å; H37-T163 WeakPolarHBondContact ND1-CB 3.31Å; H37-T163 PolarHBondContact ND1-OG1 2.68Å; I40-T163 HydrophobicContact CD1-CG2 3.95Å; I40-T163 HydrophobicContact CG2-CG2 4.27Å; F41-T163 HydrophobicContact CE2-CG2 3.91Å; F41-T163 HydrophobicContact CZ-CG2 3.9Å; D141-T163 VanDerWaalsContact CG-OG1 3.26Å; D141-T163 PolarHBondContact OD1-OG1 3.14Å; D141-T163 WeakPolarHBondContact OD2-CB 3.48Å; D141-T163 VanDerWaalsContact OD2-CG2 3.23Å; D141-T163 WeakPolarHBondContact OD2-CG2 3.28Å; D141-T163 PolarHBondContact OD2-OG1 2.98Å; F161-T163 HydrophobicContact CD1-CG2 4.07Å; F161-T163 HydrophobicContact CE1-CG2 4.32Å; F161-T163 PolarHBondContact O-N 2.93Å
164G81.1Confident88Confident8 Ų819.6 Ų19.68%0.08213%0.125CC..SBendtrans-106.5168.7178.700000113.4W166G164-W166 PolarHBondContact O-N 3.21Å
165L73.1Confident87.7Confident1 Ų119 Ų191%0.00513%0.125CC..SBendtrans-79.271.5177.2-172.381.6000110.3F183 T247 E252 L364 D385 D388 T389L165-F183 VanDerWaalsContact O-CD2 3.26Å; L165-F183 WeakPolarHBondContact O-CD2 3.29Å; L165-F183 WeakPolarHBondContact O-CE2 3.48Å; L165-T247 HydrophobicContact CD1-CG2 3.8Å; L165-E252 WeakPolarHBondContact CD1-OE1 3.36Å; L165-L364 HydrophobicContact CB-CD1 4.02Å; L165-L364 HydrophobicContact CB-CD2 4.1Å; L165-L364 HydrophobicContact CD1-CD1 3.7Å; L165-L364 HydrophobicContact CG-CD1 4.38Å; L165-D385 HydrophobicContact CB-CB 4.24Å; L165-D385 PolarHBondContact N-OD2 3.38Å; L165-D388 HydrophobicContact CD2-CB 3.88Å; L165-T389 VanDerWaalsContact CD2-CA 3.48Å; L165-T389 WeakPolarHBondContact CD2-OG1 3.26Å
166W75.1Confident87.6Confident49 Ų4917.4 Ų17.419%0.18610%0.102CC..  trans-141.1135.4-179.6179.645.6000111.1P142 G164 P168P142-W166 HydrophobicContact CB-CZ3 3.98Å; P142-W166 HydrophobicContact CG-CE3 4.35Å; P142-W166 HydrophobicContact CG-CZ3 4.22Å; G164-W166 PolarHBondContact O-N 3.21Å; W166-P168 HydrophobicContact CD2-CB 4.32Å; W166-P168 HydrophobicContact CD2-CG 3.81Å; W166-P168 HydrophobicContact CE3-CB 4.4Å; W166-P168 HydrophobicContact CE3-CG 3.72Å; W166-P168 HydrophobicContact CH2-CB 3.71Å; W166-P168 HydrophobicContact CH2-CG 3.9Å; W166-P168 HydrophobicContact CZ2-CB 3.62Å; W166-P168 HydrophobicContact CZ2-CG 4Å; W166-P168 HydrophobicContact CZ3-CB 4.13Å; W166-P168 HydrophobicContact CZ3-CG 3.78Å; W166-P168 WeakPolarHBondContact O-CD 3.26Å
167Y78.7Confident87.6Confident26 Ų2618.3 Ų18.310%0.10211%0.106CC..  trans-108.499.4168.8-164.9-68.9000108.7V171 A173 L245 R255 T257 V261Y167-V171 HydrophobicContact CD1-CG2 4.43Å; Y167-V171 HydrophobicContact CE1-CB 3.84Å; Y167-V171 HydrophobicContact CE1-CG1 3.76Å; Y167-V171 HydrophobicContact CE1-CG2 4.06Å; Y167-V171 WeakPolarHBondContact OH-CG1 3.3Å; Y167-A173 HydrophobicContact CE1-CB 3.92Å; Y167-A173 WeakPolarHBondContact OH-CB 3.4Å; Y167-L245 HydrophobicContact CD2-CD1 3.38Å; Y167-L245 HydrophobicContact CE2-CD1 3.62Å; Y167-L245 HydrophobicContact CG-CD1 4.14Å; Y167-R255 VanDerWaalsContact CB-NH1 3.29Å; Y167-T257 PolarHBondContact OH-OG1 2.98Å; Y167-V261 HydrophobicContact CE2-CG1 4.13Å
168P79.4Confident87.6Confident0 Ų018.9 Ų18.90%012%0.116CC..  trans-64.2141.3-178.3-18.432.1000110.6W166 E170 V171 W243W166-P168 HydrophobicContact CD2-CB 4.32Å; W166-P168 HydrophobicContact CD2-CG 3.81Å; W166-P168 HydrophobicContact CE3-CB 4.4Å; W166-P168 HydrophobicContact CE3-CG 3.72Å; W166-P168 HydrophobicContact CH2-CB 3.71Å; W166-P168 HydrophobicContact CH2-CG 3.9Å; W166-P168 HydrophobicContact CZ2-CB 3.62Å; W166-P168 HydrophobicContact CZ2-CG 4Å; W166-P168 HydrophobicContact CZ3-CB 4.13Å; W166-P168 HydrophobicContact CZ3-CG 3.78Å; W166-P168 WeakPolarHBondContact O-CD 3.26Å; P168-E170 WeakPolarHBondContact CA-OE2 3.35Å; P168-E170 HydrophobicContact CB-CB 4.48Å; P168-E170 WeakPolarHBondContact CB-OE2 3.39Å; P168-E170 PolarHBondContact O-N 2.97Å; P168-V171 HydrophobicContact CB-CG2 4.2Å; P168-V171 HydrophobicContact CG-CG2 4.41Å; P168-V171 WeakPolarHBondContact O-CB 3.36Å; P168-V171 WeakPolarHBondContact O-CG2 3.38Å; P168-V171 PolarHBondContact O-N 3.33Å; P168-W243 HydrophobicContact CB-CH2 4.2Å; P168-W243 HydrophobicContact CB-CZ3 3.87Å; P168-W243 HydrophobicContact CG-CE3 4.1Å; P168-W243 HydrophobicContact CG-CH2 4.42Å; P168-W243 HydrophobicContact CG-CZ3 3.61Å
169A80.1Confident87.5Confident25 Ų2522 Ų2221%0.20713%0.128CC..G310 helixtrans-80.3-10.3172.700000112.8V171 G172A169-V171 PolarHBondContact O-N 3.28Å; A169-G172 WeakPolarHBondContact O-CA 3.29Å; A169-G172 PolarHBondContact O-N 3.05Å
170E83.3Confident87.4Confident27 Ų2722.3 Ų22.313%0.12613%0.13CC..G310 helixtrans-63-16.3169.9-58.272.3-158.900111P168 G172 R207 V237 W243 Y468P168-E170 WeakPolarHBondContact CA-OE2 3.35Å; P168-E170 HydrophobicContact CB-CB 4.48Å; P168-E170 WeakPolarHBondContact CB-OE2 3.39Å; P168-E170 PolarHBondContact O-N 2.97Å; E170-G172 PolarHBondContact O-N 3.41Å; E170-R207 IonicContact OE1-NH1 3.94Å; E170-V237 HydrophobicContact CB-CB 4.41Å; E170-V237 HydrophobicContact CB-CG1 3.49Å; E170-V237 VanDerWaalsContact CB-CG1 3.49Å; E170-V237 HydrophobicContact CG-CB 4.47Å; E170-V237 HydrophobicContact CG-CG1 3.8Å; E170-W243 HydrophobicContact CB-CH2 4Å; E170-W243 HydrophobicContact CB-CZ2 4.19Å; E170-Y468 WeakPolarHBondContact O-CE1 3.35Å; E170-Y468 PolarHBondContact O-OH 3.19Å; E170-Y468 VanDerWaalsContact O-OH 3.04Å
171V86.8Confident87.4Confident0 Ų022.9 Ų22.90%013%0.134CC..G310 helixtrans-58.8-20.51641760000112.5Y167 P168 A169 A173 W243 L258 H260 V261 Y468Y167-V171 HydrophobicContact CD1-CG2 4.43Å; Y167-V171 HydrophobicContact CE1-CB 3.84Å; Y167-V171 HydrophobicContact CE1-CG1 3.76Å; Y167-V171 HydrophobicContact CE1-CG2 4.06Å; Y167-V171 WeakPolarHBondContact OH-CG1 3.3Å; P168-V171 HydrophobicContact CB-CG2 4.2Å; P168-V171 HydrophobicContact CG-CG2 4.41Å; P168-V171 WeakPolarHBondContact O-CB 3.36Å; P168-V171 WeakPolarHBondContact O-CG2 3.38Å; P168-V171 PolarHBondContact O-N 3.33Å; A169-V171 PolarHBondContact O-N 3.28Å; V171-A173 HydrophobicContact CG1-CB 4.08Å; V171-A173 PolarHBondContact O-N 3.39Å; V171-W243 HydrophobicContact CG2-CB 4.35Å; V171-W243 HydrophobicContact CG2-CD2 3.53Å; V171-W243 HydrophobicContact CG2-CE3 3.72Å; V171-W243 HydrophobicContact CG2-CG 3.83Å; V171-W243 HydrophobicContact CG2-CZ2 4.37Å; V171-W243 HydrophobicContact CG2-CZ3 4.24Å; V171-L258 WeakPolarHBondContact O-CD1 3.42Å; V171-H260 PolarHBondContact O-CE1 3.37Å; V171-H260 VanDerWaalsContact O-CE1 3.26Å; V171-H260 PolarHBondContact O-NE2 2.93Å; V171-V261 HydrophobicContact CG1-CG2 3.24Å; V171-Y468 PolarHBondContact O-OH 3.41Å
172G86.6Confident87.3Confident15 Ų1523.4 Ų23.416%0.15514%0.136CC..  trans74.7-0.7179.800000114.4A169 E170 L258A169-G172 WeakPolarHBondContact O-CA 3.29Å; A169-G172 PolarHBondContact O-N 3.05Å; E170-G172 PolarHBondContact O-N 3.41Å; G172-L258 VanDerWaalsContact C-CD1 3.49Å
173A90.4Very high87.1Confident6 Ų625.5 Ų25.55%0.0515%0.145CC..  trans-73140.8175.800000110.5Y167 V171 L258Y167-A173 HydrophobicContact CE1-CB 3.92Å; Y167-A173 WeakPolarHBondContact OH-CB 3.4Å; V171-A173 HydrophobicContact CG1-CB 4.08Å; V171-A173 PolarHBondContact O-N 3.39Å; A173-L258 HydrophobicContact CB-CD1 4.09Å; A173-L258 HydrophobicContact CB-CG 3.91Å
174P89.1Confident87Confident51 Ų5128.8 Ų28.833%0.33116%0.163SC..  trans-54.6142.7174.6-25.333.7000112.3R255 P256P174-R255 PolarHBondContact O-NH2 2.87Å; P174-P256 HydrophobicContact CB-CB 4.22Å; P174-P256 HydrophobicContact CB-CG 4.4Å; P174-P256 HydrophobicContact CG-CB 4.43Å
175A90.7Very high87.5Confident23 Ų2329.3 Ų29.319%0.1917%0.165CC..  trans-12280.8171.900000109.6L177A175-L177 PolarHBondContact O-N 3.4Å
176P94.1Very high88.4Confident38 Ų3832.5 Ų32.525%0.24718%0.182CC..  trans-64.4103.8178.8-23.836.8000111.1S178 Y179 V180 P256P176-S178 PolarHBondContact O-N 3.12Å; P176-Y179 HydrophobicContact CB-CD1 4.03Å; P176-Y179 HydrophobicContact CB-CE1 3.47Å; P176-Y179 VanDerWaalsContact CB-CE1 3.47Å; P176-Y179 HydrophobicContact CG-CE1 3.89Å; P176-Y179 PolarHBondContact O-N 2.88Å; P176-Y179 VanDerWaalsContact O-N 3.1Å; P176-V180 WeakPolarHBondContact O-CB 3.29Å; P176-V180 PolarHBondContact O-N 3.35Å; P176-P256 HydrophobicContact CG-CG 4.06Å
177L94.6Very high89.3Confident37 Ų3731.2 Ų31.219%0.19418%0.178CC..THydrogen-bonded Turntrans-63.5-8.8-174.7-55.2179.2000114.1A175 Y179 E182 N199 T200 Y203A175-L177 PolarHBondContact O-N 3.4Å; L177-Y179 VanDerWaalsContact C-N 3.34Å; L177-E182 HydrophobicContact CD2-CG 4.18Å; L177-E182 WeakPolarHBondContact CD2-OE1 3.32Å; L177-N199 PolarHBondContact O-ND2 3.48Å; L177-T200 HydrophobicContact CD1-CG2 4.05Å; L177-Y203 HydrophobicContact CD1-CD1 3.72Å; L177-Y203 HydrophobicContact CD1-CD2 4.4Å; L177-Y203 HydrophobicContact CD1-CE1 4.27Å; L177-Y203 HydrophobicContact CD1-CG 3.78Å; L177-Y203 HydrophobicContact CD2-CD1 4.43Å; L177-Y203 HydrophobicContact CD2-CD2 3.63Å; L177-Y203 HydrophobicContact CD2-CE2 4.24Å; L177-Y203 HydrophobicContact CD2-CG 3.71Å; L177-Y203 HydrophobicContact CG-CG 4.37Å
178S94.4Very high90.1Very high63 Ų6331.9 Ų31.944%0.44119%0.185SC..THydrogen-bonded Turntrans-71.2-26.717553.80000113.6P176 R196P176-S178 PolarHBondContact O-N 3.12Å; S178-R196 WeakPolarHBondContact O-CD 3.22Å
179Y94.3Very high90.8Very high89 Ų8934.5 Ų34.535%0.34920%0.199SC..THydrogen-bonded Turntrans-146.2-9.7-178.869.5-96.6000114.3P176 L177 P181 D189 M191 P256P176-Y179 HydrophobicContact CB-CD1 4.03Å; P176-Y179 HydrophobicContact CB-CE1 3.47Å; P176-Y179 VanDerWaalsContact CB-CE1 3.47Å; P176-Y179 HydrophobicContact CG-CE1 3.89Å; P176-Y179 PolarHBondContact O-N 2.88Å; P176-Y179 VanDerWaalsContact O-N 3.1Å; L177-Y179 VanDerWaalsContact C-N 3.34Å; Y179-P181 WeakPolarHBondContact O-CD 3.38Å; Y179-D189 WeakPolarHBondContact O-CA 3.2Å; Y179-D189 WeakPolarHBondContact O-CB 3.39Å; Y179-M191 VanDerWaalsContact CA-CE 3.49Å; Y179-P256 WeakPolarHBondContact OH-CD 2.86Å; Y179-P256 WeakPolarHBondContact OH-CG 3.22Å
180V94.8Very high91.6Very high6 Ų643.1 Ų43.14%0.03623%0.227CC..  trans-93.2111.8172.7-179.90000108.2P176 N199 R255P176-V180 WeakPolarHBondContact O-CB 3.29Å; P176-V180 PolarHBondContact O-N 3.35Å; V180-N199 PolarHBondContact O-ND2 3.05Å; V180-R255 HydrophobicContact CG1-CB 4.41Å; V180-R255 HydrophobicContact CG2-CB 3.84Å
181P93.9Very high92.2Very high12 Ų1243.2 Ų43.28%0.07823%0.227CC..PPolyproline II helixtrans-72.5135.3175.430.1-33.7000110.1Y179 L187 F253Y179-P181 WeakPolarHBondContact O-CD 3.38Å; P181-L187 HydrophobicContact CB-CB 4.01Å; P181-L187 WeakPolarHBondContact CB-O 3.4Å; P181-F253 HydrophobicContact CG-CD2 3.58Å; P181-F253 HydrophobicContact CG-CE2 3.99Å; P181-F253 HydrophobicContact CG-CG 4.5Å
182E92.1Very high92.7Very high11 Ų1146 Ų465%0.05125%0.247CC..PPolyproline II helixtrans-73.4150.5172.6-70.6-61.3135.700110.8L177 S185 N199 V202 Y203 R207L177-E182 HydrophobicContact CD2-CG 4.18Å; L177-E182 WeakPolarHBondContact CD2-OE1 3.32Å; E182-S185 WeakPolarHBondContact O-CB 3.48Å; E182-S185 PolarHBondContact O-N 2.8Å; E182-S185 PolarHBondContact O-OG 2.9Å; E182-N199 PolarHBondContact N-OD1 3.22Å; E182-V202 HydrophobicContact CB-CB 4.43Å; E182-V202 HydrophobicContact CB-CG1 3.93Å; E182-Y203 HydrophobicContact CG-CD2 4.17Å; E182-Y203 HydrophobicContact CG-CG 4.46Å; E182-Y203 WeakPolarHBondContact OE1-CD2 3.28Å; E182-R207 IonicContact OE2-NH2 2.96Å; E182-R207 PolarHBondContact OE2-NH2 3.32Å
183F87.9Confident93.2Very high45 Ų4550.1 Ų50.120%0.19727%0.265CS..THydrogen-bonded Turntrans-54.5143.3173.3-177.6-113.8000110.2L165 S185 Q206 D385 D388L165-F183 VanDerWaalsContact O-CD2 3.26Å; L165-F183 WeakPolarHBondContact O-CD2 3.29Å; L165-F183 WeakPolarHBondContact O-CE2 3.48Å; F183-S185 PolarHBondContact O-N 2.85Å; F183-S185 VanDerWaalsContact O-N 3.13Å; F183-Q206 PolarHBondContact O-NE2 3.45Å; F183-D385 HydrophobicContact CE2-CB 3.8Å; F183-D385 HydrophobicContact CZ-CB 3.9Å; F183-D388 HydrophobicContact CD2-CB 4.24Å; F183-D388 HydrophobicContact CE2-CB 4.19Å
184N86.8Confident93.6Very high73 Ų7355.7 Ų55.739%0.3929%0.291SS..THydrogen-bonded Turntrans61.34.8-172.2-64.3-56.4000116.4L186 D388N184-L186 VanDerWaalsContact C-N 3.3Å; N184-D388 VanDerWaalsContact CA-OD2 3.23Å; N184-D388 WeakPolarHBondContact CA-OD2 3.47Å; N184-D388 VanDerWaalsContact N-CG 3.34Å; N184-D388 PolarHBondContact N-OD1 3.1Å; N184-D388 PolarHBondContact N-OD2 2.81Å
185S90.8Very high94Very high19 Ų1957 Ų5713%0.13329%0.293CS..SBendtrans-75.2-24.2173690000112.4E182 F183 L187E182-S185 WeakPolarHBondContact O-CB 3.48Å; E182-S185 PolarHBondContact O-N 2.8Å; E182-S185 PolarHBondContact O-OG 2.9Å; F183-S185 PolarHBondContact O-N 2.85Å; F183-S185 VanDerWaalsContact O-N 3.13Å; S185-L187 PolarHBondContact O-N 3.13Å; S185-L187 PolarHBondContact OG-N 3.02Å
186L92.2Very high94.3Very high67 Ų6760.6 Ų60.635%0.35130%0.301SS..  trans57.425-172.7-45.8-172.4000113.1N184 Y387N184-L186 VanDerWaalsContact C-N 3.3Å; L186-Y387 HydrophobicContact CD1-CD1 4.36Å; L186-Y387 VanDerWaalsContact CD2-CB 3.41Å; L186-Y387 HydrophobicContact CD2-CG 4.47Å
187L95.1Very high94.5Very high22 Ų2263.4 Ų63.412%0.11531%0.313CS..  trans-98.5166.4177.9-61.3175.3000111.1P181 S185 M191 Q195 N199P181-L187 HydrophobicContact CB-CB 4.01Å; P181-L187 WeakPolarHBondContact CB-O 3.4Å; S185-L187 PolarHBondContact O-N 3.13Å; S185-L187 PolarHBondContact OG-N 3.02Å; L187-M191 HydrophobicContact CB-CG 4.3Å; L187-M191 HydrophobicContact CB-SD 4.05Å; L187-M191 HydrophobicContact CD1-SD 3.79Å; L187-Q195 HydrophobicContact CD1-CB 4.14Å; L187-Q195 VanDerWaalsContact CD1-O 3.25Å; L187-Q195 WeakPolarHBondContact CD1-O 3.34Å; L187-Q195 HydrophobicContact CD2-CB 3.98Å; L187-Q195 HydrophobicContact CD2-CG 3.74Å; L187-N199 HydrophobicContact CD1-CB 3.76Å
188T95.5Very high94.6Very high41 Ų4164.1 Ų64.125%0.25233%0.325SS..  trans-108.6178.7176.374.70000110.9R190 M191 F253 T391 A395T188-R190 PolarHBondContact O-N 3.29Å; T188-R190 PolarHBondContact OG1-N 3.32Å; T188-R190 VanDerWaalsContact OG1-N 3.15Å; T188-R190 PolarHBondContact OG1-O 2.93Å; T188-M191 VanDerWaalsContact O-CG 3.28Å; T188-M191 WeakPolarHBondContact O-CG 3.35Å; T188-F253 HydrophobicContact CG2-CZ 4.01Å; T188-T391 HydrophobicContact CG2-CG2 4.33Å; T188-A395 HydrophobicContact CG2-CB 3.79Å
189D94.4Very high94.7Very high55 Ų5561.1 Ų61.129%0.29430%0.304SS..SBendtrans-68.7-5.7171.562-16.2000114.4Y179 F253Y179-D189 WeakPolarHBondContact O-CA 3.2Å; Y179-D189 WeakPolarHBondContact O-CB 3.39Å; D189-F253 HydrophobicContact CB-CB 4.06Å; D189-F253 HydrophobicContact CB-CD1 3.91Å; D189-F253 HydrophobicContact CB-CG 4.02Å
190R95.4Very high94.8Very high206 Ų20659.4 Ų59.478%0.77730%0.303SS*.SBendtrans-112111.2171.8-59.8-175.2-177.2-1700.4109.6T188T188-R190 PolarHBondContact O-N 3.29Å; T188-R190 PolarHBondContact OG1-N 3.32Å; T188-R190 VanDerWaalsContact OG1-N 3.15Å; T188-R190 PolarHBondContact OG1-O 2.93Å
191M96.5Very high94.8Very high28 Ų2861 Ų6114%0.13832%0.32CS..  trans-130.1137.8-175.1-68.7-179.6-86.600112.3Y179 L187 T188 Q195 R196 N199Y179-M191 VanDerWaalsContact CA-CE 3.49Å; L187-M191 HydrophobicContact CB-CG 4.3Å; L187-M191 HydrophobicContact CB-SD 4.05Å; L187-M191 HydrophobicContact CD1-SD 3.79Å; T188-M191 VanDerWaalsContact O-CG 3.28Å; T188-M191 WeakPolarHBondContact O-CG 3.35Å; M191-Q195 HydrophobicContact CB-CB 3.83Å; M191-Q195 HydrophobicContact CG-CB 4.07Å; M191-R196 HydrophobicContact CB-CG 3.71Å; M191-R196 HydrophobicContact SD-CG 4.37Å; M191-N199 HydrophobicContact SD-CB 3.92Å
192S97.6Very high94.8Very high59 Ų5962.3 Ų62.341%0.41333%0.328SS..  trans-69.6173.3164.571.20000111.6M194 Q195 R196S192-M194 VanDerWaalsContact C-N 3.34Å; S192-M194 PolarHBondContact O-N 2.78Å; S192-Q195 PolarHBondContact O-N 3.39Å; S192-Q195 WeakPolarHBondContact OG-CG 3.34Å; S192-Q195 PolarHBondContact OG-N 3.19Å; S192-Q195 PolarHBondContact OG-OE1 3.3Å; S192-Q195 VanDerWaalsContact OG-OE1 3.13Å; S192-R196 WeakPolarHBondContact O-CG 3.45Å; S192-R196 PolarHBondContact O-N 3.31Å
193L97.5Very high94.9Very high102 Ų10265 Ų6553%0.53434%0.338SS..Hα-helixtrans-58.1-45.6174.9-179.362.7000112.2Q195 R196 I197L193-Q195 VanDerWaalsContact C-N 3.33Å; L193-Q195 PolarHBondContact O-N 2.83Å; L193-R196 PolarHBondContact O-N 2.78Å; L193-I197 HydrophobicContact CG-CD1 4.26Å; L193-I197 WeakPolarHBondContact O-CG1 3.43Å; L193-I197 PolarHBondContact O-N 3.35Å
194M97.9Very high95.2Very high123 Ų12367.9 Ų67.961%0.60636%0.355SS*.Hα-helixtrans-65.3-38.8-179.9-66.4-58.1113.400111.8S192 I197 A198S192-M194 VanDerWaalsContact C-N 3.34Å; S192-M194 PolarHBondContact O-N 2.78Å; M194-I197 HydrophobicContact CE-CD1 3.67Å; M194-I197 PolarHBondContact O-N 2.96Å; M194-I197 HydrophobicContact SD-CD1 4.18Å; M194-A198 PolarHBondContact O-N 2.98Å
195Q97.6Very high95.5Very high77 Ų7767.6 Ų67.636%0.3636%0.363SS..Hα-helixtrans-64.8-38.9174.7-73170.1-47.600111.6L187 M191 S192 L193 I197 A198 N199L187-Q195 HydrophobicContact CD1-CB 4.14Å; L187-Q195 VanDerWaalsContact CD1-O 3.25Å; L187-Q195 WeakPolarHBondContact CD1-O 3.34Å; L187-Q195 HydrophobicContact CD2-CB 3.98Å; L187-Q195 HydrophobicContact CD2-CG 3.74Å; M191-Q195 HydrophobicContact CB-CB 3.83Å; M191-Q195 HydrophobicContact CG-CB 4.07Å; S192-Q195 PolarHBondContact O-N 3.39Å; S192-Q195 WeakPolarHBondContact OG-CG 3.34Å; S192-Q195 PolarHBondContact OG-N 3.19Å; S192-Q195 PolarHBondContact OG-OE1 3.3Å; S192-Q195 VanDerWaalsContact OG-OE1 3.13Å; L193-Q195 VanDerWaalsContact C-N 3.33Å; L193-Q195 PolarHBondContact O-N 2.83Å; Q195-I197 PolarHBondContact O-N 3.48Å; Q195-A198 PolarHBondContact O-N 3.26Å; Q195-N199 VanDerWaalsContact O-CB 3.31Å; Q195-N199 WeakPolarHBondContact O-CB 3.49Å; Q195-N199 PolarHBondContact O-N 3.09Å
196R97.8Very high95.4Very high99 Ų9968.6 Ų68.637%0.37437%0.366SS..Hα-helixtrans-65.4-36.6173.9-71.1-176.5-66.6166.10.3112.9S178 M191 S192 L193 T200S178-R196 WeakPolarHBondContact O-CD 3.22Å; M191-R196 HydrophobicContact CB-CG 3.71Å; M191-R196 HydrophobicContact SD-CG 4.37Å; S192-R196 WeakPolarHBondContact O-CG 3.45Å; S192-R196 PolarHBondContact O-N 3.31Å; L193-R196 PolarHBondContact O-N 2.78Å; R196-T200 WeakPolarHBondContact O-CB 3.39Å; R196-T200 PolarHBondContact O-N 3.08Å; R196-T200 PolarHBondContact O-OG1 3.35Å
197I97.6Very high95.3Very high97 Ų9767.8 Ų67.850%0.49736%0.358SS..Hα-helixtrans-63-47.8172.7-67.9167.9000110L193 M194 Q195 N199 T200 G201L193-I197 HydrophobicContact CG-CD1 4.26Å; L193-I197 WeakPolarHBondContact O-CG1 3.43Å; L193-I197 PolarHBondContact O-N 3.35Å; M194-I197 HydrophobicContact CE-CD1 3.67Å; M194-I197 PolarHBondContact O-N 2.96Å; M194-I197 HydrophobicContact SD-CD1 4.18Å; Q195-I197 PolarHBondContact O-N 3.48Å; I197-N199 PolarHBondContact O-N 2.89Å; I197-T200 WeakPolarHBondContact O-CB 3.16Å; I197-T200 PolarHBondContact O-N 3.44Å; I197-G201 PolarHBondContact O-N 3.39Å
198A96.6Very high95.3Very high53 Ų5372.4 Ų72.444%0.43838%0.377SS..Hα-helixtrans-60-46.7176.500000112M194 Q195 T200 G201 V202M194-A198 PolarHBondContact O-N 2.98Å; Q195-A198 PolarHBondContact O-N 3.26Å; A198-T200 VanDerWaalsContact C-N 3.27Å; A198-T200 PolarHBondContact O-N 3.31Å; A198-G201 WeakPolarHBondContact O-CA 3.34Å; A198-G201 PolarHBondContact O-N 3.1Å; A198-G201 VanDerWaalsContact O-N 3.07Å; A198-V202 WeakPolarHBondContact O-CG2 3.4Å; A198-V202 PolarHBondContact O-N 3.4Å
199N96.3Very high95.1Very high0 Ų071.1 Ų71.10%037%0.372CS..Hα-helixtrans-55.8-43175.7-166.343.3000111.7L177 V180 E182 L187 M191 Q195 I197 V202 Y203L177-N199 PolarHBondContact O-ND2 3.48Å; V180-N199 PolarHBondContact O-ND2 3.05Å; E182-N199 PolarHBondContact N-OD1 3.22Å; L187-N199 HydrophobicContact CD1-CB 3.76Å; M191-N199 HydrophobicContact SD-CB 3.92Å; Q195-N199 VanDerWaalsContact O-CB 3.31Å; Q195-N199 WeakPolarHBondContact O-CB 3.49Å; Q195-N199 PolarHBondContact O-N 3.09Å; I197-N199 PolarHBondContact O-N 2.89Å; N199-V202 PolarHBondContact O-N 2.93Å; N199-Y203 PolarHBondContact O-N 2.88Å
200T96.4Very high94.9Very high52 Ų5269.7 Ų69.732%0.31937%0.365SS..Hα-helixtrans-65.5-40.1176.6-55.50000111.9L177 R196 I197 A198 Y203 L204L177-T200 HydrophobicContact CD1-CG2 4.05Å; R196-T200 WeakPolarHBondContact O-CB 3.39Å; R196-T200 PolarHBondContact O-N 3.08Å; R196-T200 PolarHBondContact O-OG1 3.35Å; I197-T200 WeakPolarHBondContact O-CB 3.16Å; I197-T200 PolarHBondContact O-N 3.44Å; A198-T200 VanDerWaalsContact C-N 3.27Å; A198-T200 PolarHBondContact O-N 3.31Å; T200-Y203 WeakPolarHBondContact O-CB 3.21Å; T200-Y203 PolarHBondContact O-N 2.82Å; T200-L204 HydrophobicContact CG2-CD1 4.29Å; T200-L204 WeakPolarHBondContact O-CG 3.13Å; T200-L204 PolarHBondContact O-N 2.95Å
201G96.1Very high94.7Very high40 Ų4064.6 Ų64.641%0.41235%0.35SS..Hα-helixtrans-60.1-45.9173.600000112.4I197 A198 L204 A205I197-G201 PolarHBondContact O-N 3.39Å; A198-G201 WeakPolarHBondContact O-CA 3.34Å; A198-G201 PolarHBondContact O-N 3.1Å; A198-G201 VanDerWaalsContact O-N 3.07Å; G201-L204 PolarHBondContact O-N 2.88Å; G201-A205 WeakPolarHBondContact O-CB 3.41Å; G201-A205 PolarHBondContact O-N 2.77Å
202V93.6Very high94.5Very high40 Ų4070.2 Ų70.224%0.24237%0.371CS..Hα-helixtrans-62.2-45.4176.5176.50000111E182 A198 N199 L204 A205 Q206E182-V202 HydrophobicContact CB-CB 4.43Å; E182-V202 HydrophobicContact CB-CG1 3.93Å; A198-V202 WeakPolarHBondContact O-CG2 3.4Å; A198-V202 PolarHBondContact O-N 3.4Å; N199-V202 PolarHBondContact O-N 2.93Å; V202-L204 PolarHBondContact O-N 3.48Å; V202-A205 PolarHBondContact O-N 2.82Å; V202-Q206 HydrophobicContact CG1-CG 4.35Å; V202-Q206 WeakPolarHBondContact O-CB 3.03Å; V202-Q206 WeakPolarHBondContact O-CG 3.28Å; V202-Q206 PolarHBondContact O-N 3.27Å
203Y93.6Very high94.3Very high67 Ų6770.5 Ų70.526%0.26337%0.367SS..Hα-helixtrans-52.6-54174.9175.2-101.3000111.5L177 E182 N199 T200 A205 Q206 R207L177-Y203 HydrophobicContact CD1-CD1 3.72Å; L177-Y203 HydrophobicContact CD1-CD2 4.4Å; L177-Y203 HydrophobicContact CD1-CE1 4.27Å; L177-Y203 HydrophobicContact CD1-CG 3.78Å; L177-Y203 HydrophobicContact CD2-CD1 4.43Å; L177-Y203 HydrophobicContact CD2-CD2 3.63Å; L177-Y203 HydrophobicContact CD2-CE2 4.24Å; L177-Y203 HydrophobicContact CD2-CG 3.71Å; L177-Y203 HydrophobicContact CG-CG 4.37Å; E182-Y203 HydrophobicContact CG-CD2 4.17Å; E182-Y203 HydrophobicContact CG-CG 4.46Å; E182-Y203 WeakPolarHBondContact OE1-CD2 3.28Å; N199-Y203 PolarHBondContact O-N 2.88Å; T200-Y203 WeakPolarHBondContact O-CB 3.21Å; T200-Y203 PolarHBondContact O-N 2.82Å; Y203-A205 PolarHBondContact O-N 2.86Å; Y203-Q206 PolarHBondContact O-N 2.95Å; Y203-R207 HydrophobicContact CD1-CG 4.3Å; Y203-R207 HydrophobicContact CD2-CG 4.23Å; Y203-R207 HydrophobicContact CE1-CG 4Å; Y203-R207 HydrophobicContact CE2-CG 3.96Å; Y203-R207 HydrophobicContact CG-CG 4.42Å; Y203-R207 VanDerWaalsContact O-CG 3.23Å; Y203-R207 WeakPolarHBondContact O-CG 3.39Å; Y203-R207 PolarHBondContact O-N 3.34Å
204L94.4Very high94Very high105 Ų10566.4 Ų66.455%0.5535%0.346SS..Hα-helixtrans-63-43.7-177.2-67.7173.3000111.7T200 G201 V202 Q206 R207 F208T200-L204 HydrophobicContact CG2-CD1 4.29Å; T200-L204 WeakPolarHBondContact O-CG 3.13Å; T200-L204 PolarHBondContact O-N 2.95Å; G201-L204 PolarHBondContact O-N 2.88Å; V202-L204 PolarHBondContact O-N 3.48Å; L204-Q206 PolarHBondContact O-N 3.05Å; L204-R207 PolarHBondContact O-N 2.98Å; L204-F208 WeakPolarHBondContact O-CB 3.19Å; L204-F208 PolarHBondContact O-N 2.94Å
205A92.5Very high93.9Very high67 Ų6760.9 Ų60.955%0.55432%0.319SS*.Hα-helixtrans-61.5-42.8178.100000112G201 V202 Y203 F208 G209G201-A205 WeakPolarHBondContact O-CB 3.41Å; G201-A205 PolarHBondContact O-N 2.77Å; V202-A205 PolarHBondContact O-N 2.82Å; Y203-A205 PolarHBondContact O-N 2.86Å; A205-F208 PolarHBondContact O-N 3.32Å; A205-G209 PolarHBondContact O-N 2.77Å
206Q89.1Confident93.8Very high41 Ų4158.6 Ų58.619%0.19231%0.311CS..Hα-helixtrans-67.7-45.4177.9-74.3-174.1-1.200112.5F183 V202 Y203 L204 F208 G209 V210F183-Q206 PolarHBondContact O-NE2 3.45Å; V202-Q206 HydrophobicContact CG1-CG 4.35Å; V202-Q206 WeakPolarHBondContact O-CB 3.03Å; V202-Q206 WeakPolarHBondContact O-CG 3.28Å; V202-Q206 PolarHBondContact O-N 3.27Å; Y203-Q206 PolarHBondContact O-N 2.95Å; L204-Q206 PolarHBondContact O-N 3.05Å; Q206-F208 VanDerWaalsContact C-N 3.26Å; Q206-F208 PolarHBondContact O-N 3.37Å; Q206-G209 PolarHBondContact O-N 3.27Å; Q206-V210 WeakPolarHBondContact O-CG2 3.29Å; Q206-V210 PolarHBondContact O-N 2.71Å
207R90.9Very high93.7Very high50 Ų5055.1 Ų55.119%0.18930%0.298CS..Hα-helixtrans-58.9-42.8176.6-66-68.2163.9-113.7-25111.1E170 E182 Y203 L204 H211E170-R207 IonicContact OE1-NH1 3.94Å; E182-R207 IonicContact OE2-NH2 2.96Å; E182-R207 PolarHBondContact OE2-NH2 3.32Å; Y203-R207 HydrophobicContact CD1-CG 4.3Å; Y203-R207 HydrophobicContact CD2-CG 4.23Å; Y203-R207 HydrophobicContact CE1-CG 4Å; Y203-R207 HydrophobicContact CE2-CG 3.96Å; Y203-R207 HydrophobicContact CG-CG 4.42Å; Y203-R207 VanDerWaalsContact O-CG 3.23Å; Y203-R207 WeakPolarHBondContact O-CG 3.39Å; Y203-R207 PolarHBondContact O-N 3.34Å; L204-R207 PolarHBondContact O-N 2.98Å; R207-H211 VanDerWaalsContact O-CB 3.29Å; R207-H211 WeakPolarHBondContact O-CB 3.45Å; R207-H211 PolarHBondContact O-N 2.68Å
208F93.6Very high93.7Very high119 Ų11950.8 Ų50.852%0.52228%0.276SS..Hα-helixtrans-62.3-49.9175.3-177.1-90000111.6L204 A205 Q206 V210 H211 Y212L204-F208 WeakPolarHBondContact O-CB 3.19Å; L204-F208 PolarHBondContact O-N 2.94Å; A205-F208 PolarHBondContact O-N 3.32Å; Q206-F208 VanDerWaalsContact C-N 3.26Å; Q206-F208 PolarHBondContact O-N 3.37Å; F208-V210 PolarHBondContact O-N 3.02Å; F208-H211 PolarHBondContact O-N 3.3Å; F208-Y212 HydrophobicContact CB-CD2 4.45Å; F208-Y212 AromaticContact CD2-CD2 3.38Å; F208-Y212 HydrophobicContact CD2-CD2 3.38Å; F208-Y212 AromaticContact CD2-CE2 3.79Å; F208-Y212 HydrophobicContact CD2-CE2 3.79Å; F208-Y212 HydrophobicContact CD2-CG 4.28Å; F208-Y212 AromaticContact CE2-CD2 3.62Å; F208-Y212 HydrophobicContact CE2-CD2 3.62Å; F208-Y212 HydrophobicContact CE2-CE2 4.12Å; F208-Y212 HydrophobicContact CE2-CG 4.11Å; F208-Y212 AromaticContact CG-CD2 3.94Å; F208-Y212 HydrophobicContact CG-CD2 3.94Å; F208-Y212 HydrophobicContact CZ-CD2 4.35Å; F208-Y212 WeakPolarHBondContact O-CB 3.14Å; F208-Y212 WeakPolarHBondContact O-CD2 3.45Å; F208-Y212 PolarHBondContact O-N 3.37Å
209G91.1Very high93.8Very high13 Ų1350.7 Ų50.713%0.13427%0.268CS..Hα-helixtrans-59.1-46.6179.800000112.9A205 Q206 I213 V214A205-G209 PolarHBondContact O-N 2.77Å; Q206-G209 PolarHBondContact O-N 3.27Å; G209-I213 WeakPolarHBondContact O-CA 3.5Å; G209-I213 WeakPolarHBondContact O-CB 3.43Å; G209-I213 PolarHBondContact O-N 2.98Å; G209-V214 PolarHBondContact O-N 3.48Å
210V90.3Very high93.8Very high26 Ų2657.6 Ų57.616%0.15829%0.294CS..Iπ-helixtrans-63.9-53.1178.7173.90000110.7Q206 F208 V214 L215Q206-V210 WeakPolarHBondContact O-CG2 3.29Å; Q206-V210 PolarHBondContact O-N 2.71Å; F208-V210 PolarHBondContact O-N 3.02Å; V210-V214 PolarHBondContact O-N 2.91Å; V210-L215 HydrophobicContact CG1-CD1 4.01Å; V210-L215 HydrophobicContact CG1-CD2 4.34Å; V210-L215 HydrophobicContact CG1-CG 3.9Å; V210-L215 WeakPolarHBondContact O-CG 3.35Å; V210-L215 PolarHBondContact O-N 2.94Å
211H91.4Very high93.9Very high99 Ų9955.7 Ų55.746%0.45828%0.282SS..Iπ-helixtrans-72.7-34.7-171.1-16674.7000113.7R207 F208 P216R207-H211 VanDerWaalsContact O-CB 3.29Å; R207-H211 WeakPolarHBondContact O-CB 3.45Å; R207-H211 PolarHBondContact O-N 2.68Å; F208-H211 PolarHBondContact O-N 3.3Å; H211-P216 VanDerWaalsContact O-CD 3.28Å; H211-P216 WeakPolarHBondContact O-CD 3.45Å; H211-P216 VanDerWaalsContact O-CG 3.27Å; H211-P216 WeakPolarHBondContact O-CG 3.24Å
212Y93.4Very high94Very high145 Ų14554.2 Ų54.257%0.56926%0.264SS*.Iπ-helixtrans-106.6-14.8-174.1-61.1-75.1000114.4F208F208-Y212 HydrophobicContact CB-CD2 4.45Å; F208-Y212 AromaticContact CD2-CD2 3.38Å; F208-Y212 HydrophobicContact CD2-CD2 3.38Å; F208-Y212 AromaticContact CD2-CE2 3.79Å; F208-Y212 HydrophobicContact CD2-CE2 3.79Å; F208-Y212 HydrophobicContact CD2-CG 4.28Å; F208-Y212 AromaticContact CE2-CD2 3.62Å; F208-Y212 HydrophobicContact CE2-CD2 3.62Å; F208-Y212 HydrophobicContact CE2-CE2 4.12Å; F208-Y212 HydrophobicContact CE2-CG 4.11Å; F208-Y212 AromaticContact CG-CD2 3.94Å; F208-Y212 HydrophobicContact CG-CD2 3.94Å; F208-Y212 HydrophobicContact CZ-CD2 4.35Å; F208-Y212 WeakPolarHBondContact O-CB 3.14Å; F208-Y212 WeakPolarHBondContact O-CD2 3.45Å; F208-Y212 PolarHBondContact O-N 3.37Å
213I92Very high94.2Very high65 Ų6560.1 Ų60.133%0.33329%0.287SS..Iπ-helixtrans-116.4-50.5-178.7-50.5178.1000111.6F107 G209 K217F107-I213 HydrophobicContact CE1-CG2 4.48Å; G209-I213 WeakPolarHBondContact O-CA 3.5Å; G209-I213 WeakPolarHBondContact O-CB 3.43Å; G209-I213 PolarHBondContact O-N 2.98Å; I213-K217 WeakPolarHBondContact O-CE 3.37Å; I213-K217 WeakPolarHBondContact O-CG 3.08Å
214V92.4Very high94.4Very high16 Ų1663.4 Ų63.410%0.09730%0.302CS..Iπ-helixtrans-79.5-61.3-172.7-178.20000111.8L110 M145 G209 V210 K217 Y218L110-V214 HydrophobicContact CD1-CG2 4.4Å; M145-V214 HydrophobicContact CE-CG1 3.99Å; M145-V214 HydrophobicContact SD-CG1 3.8Å; G209-V214 PolarHBondContact O-N 3.48Å; V210-V214 PolarHBondContact O-N 2.91Å; V214-K217 WeakPolarHBondContact O-CB 3.5Å; V214-K217 PolarHBondContact O-N 3.11Å; V214-K217 VanDerWaalsContact O-N 3.11Å; V214-Y218 HydrophobicContact CG1-CE2 4.36Å
215L94.8Very high94.6Very high8 Ų861.3 Ų61.34%0.04229%0.29CS..Hα-helixtrans-58.5-40.8-175.9-58.9-179.5000113.2M145 V210 K217 Y218 D219 M233 A234 V237M145-L215 HydrophobicContact SD-CD2 4.06Å; V210-L215 HydrophobicContact CG1-CD1 4.01Å; V210-L215 HydrophobicContact CG1-CD2 4.34Å; V210-L215 HydrophobicContact CG1-CG 3.9Å; V210-L215 WeakPolarHBondContact O-CG 3.35Å; V210-L215 PolarHBondContact O-N 2.94Å; L215-K217 PolarHBondContact O-N 2.75Å; L215-K217 VanDerWaalsContact O-N 3.09Å; L215-Y218 PolarHBondContact O-N 3.45Å; L215-D219 PolarHBondContact O-N 3.32Å; L215-M233 HydrophobicContact CB-CB 4.19Å; L215-M233 HydrophobicContact CB-CG 4.26Å; L215-M233 HydrophobicContact CD2-CB 4.48Å; L215-M233 HydrophobicContact CD2-CG 3.75Å; L215-A234 HydrophobicContact CD1-CB 3.91Å; L215-V237 HydrophobicContact CD2-CG2 4.21Å
216P96.1Very high94.7Very high28 Ų2860 Ų6018%0.18228%0.282CS..Hα-helixtrans-62.8-19.9178.9-27.438.9000114.8H211 Y218 D219 R220H211-P216 VanDerWaalsContact O-CD 3.28Å; H211-P216 WeakPolarHBondContact O-CD 3.45Å; H211-P216 VanDerWaalsContact O-CG 3.27Å; H211-P216 WeakPolarHBondContact O-CG 3.24Å; P216-Y218 VanDerWaalsContact C-N 3.34Å; P216-D219 WeakPolarHBondContact CA-OD2 3.41Å; P216-R220 WeakPolarHBondContact O-CG 3.45Å; P216-R220 PolarHBondContact O-N 3.1Å; P216-R220 VanDerWaalsContact O-N 3.12Å; P216-R220 PolarHBondContact O-NH1 3.43Å
217K96.6Very high95.1Very high27 Ų2758.7 Ų58.712%0.11728%0.277CS..Hα-helixtrans-63.5-43.6172.6-70.9171-176.8-1770110.6D111 I213 V214 L215 R220 I221D111-K217 WeakPolarHBondContact OD1-CE 3.4Å; D111-K217 IonicContact OD1-NZ 3.19Å; D111-K217 PolarHBondContact OD1-NZ 3Å; D111-K217 IonicContact OD2-NZ 3.69Å; I213-K217 WeakPolarHBondContact O-CE 3.37Å; I213-K217 WeakPolarHBondContact O-CG 3.08Å; V214-K217 WeakPolarHBondContact O-CB 3.5Å; V214-K217 PolarHBondContact O-N 3.11Å; V214-K217 VanDerWaalsContact O-N 3.11Å; L215-K217 PolarHBondContact O-N 2.75Å; L215-K217 VanDerWaalsContact O-N 3.09Å; K217-R220 PolarHBondContact O-N 3.5Å; K217-I221 WeakPolarHBondContact O-CG1 3.11Å; K217-I221 PolarHBondContact O-N 3.13Å
218Y97.3Very high95.2Very high6 Ų663.6 Ų63.62%0.02430%0.3CS..Hα-helixtrans-74.1-35179.1-63-85.6000112.1C117 M145 V149 V214 L215 P216 R220 I221 M222 M233C117-Y218 HydrophobicContact CB-CD1 4.33Å; C117-Y218 HydrophobicContact CB-CE1 3.91Å; M145-Y218 HydrophobicContact CB-CD1 4.46Å; M145-Y218 HydrophobicContact CB-CD2 4.36Å; M145-Y218 HydrophobicContact CB-CE1 3.93Å; M145-Y218 HydrophobicContact CB-CE2 3.82Å; M145-Y218 HydrophobicContact CG-CE2 4.36Å; M145-Y218 HydrophobicContact SD-CD2 4.32Å; M145-Y218 HydrophobicContact SD-CE2 3.87Å; V149-Y218 HydrophobicContact CG2-CD1 4.24Å; V214-Y218 HydrophobicContact CG1-CE2 4.36Å; L215-Y218 PolarHBondContact O-N 3.45Å; P216-Y218 VanDerWaalsContact C-N 3.34Å; Y218-R220 VanDerWaalsContact C-N 3.27Å; Y218-R220 PolarHBondContact O-N 3.29Å; Y218-I221 HydrophobicContact CD1-CD1 4.33Å; Y218-I221 PolarHBondContact O-N 2.81Å; Y218-I221 VanDerWaalsContact O-N 3.14Å; Y218-M222 WeakPolarHBondContact O-CG 3.23Å; Y218-M222 PolarHBondContact O-N 2.81Å; Y218-M233 HydrophobicContact CG-CE 4.39Å; Y218-M233 HydrophobicContact CG-CG 4.42Å; Y218-M233 HydrophobicContact CG-SD 4.2Å
219D97.6Very high95.2Very high51 Ų5162.4 Ų62.427%0.27330%0.304SS..Hα-helixtrans-57.3-42.2170.7-67.3-42.2000111.8L215 P216 M222 K223 A232 M233L215-D219 PolarHBondContact O-N 3.32Å; P216-D219 WeakPolarHBondContact CA-OD2 3.41Å; D219-M222 PolarHBondContact O-N 3.39Å; D219-K223 WeakPolarHBondContact O-CB 3.47Å; D219-K223 PolarHBondContact O-N 3.01Å; D219-A232 WeakPolarHBondContact OD1-CA 3.45Å; D219-M233 WeakPolarHBondContact OD1-CB 3.42Å; D219-M233 PolarHBondContact OD1-N 3.08Å
220R97.8Very high95.4Very high144 Ų14470 Ų7054%0.54333%0.33SS..Hα-helixtrans-64.4-40175.7-74-172.6-62.2-89.89.8112.3P216 K217 Y218 K223 K224P216-R220 WeakPolarHBondContact O-CG 3.45Å; P216-R220 PolarHBondContact O-N 3.1Å; P216-R220 VanDerWaalsContact O-N 3.12Å; P216-R220 PolarHBondContact O-NH1 3.43Å; K217-R220 PolarHBondContact O-N 3.5Å; Y218-R220 VanDerWaalsContact C-N 3.27Å; Y218-R220 PolarHBondContact O-N 3.29Å; R220-K223 PolarHBondContact O-N 3.27Å; R220-K224 WeakPolarHBondContact O-CB 3.39Å; R220-K224 PolarHBondContact O-N 3.49Å
221I97.9Very high95.6Very high13 Ų1370.3 Ų70.37%0.06734%0.335CS..Hα-helixtrans-63.5-48.5176.5-66.3165.9000110.1S114 C117 D118 V121 K217 Y218 K223 K224 H225S114-I221 WeakPolarHBondContact O-CD1 3.48Å; C117-I221 HydrophobicContact CB-CD1 4.15Å; D118-I221 HydrophobicContact CB-CD1 4.18Å; D118-I221 HydrophobicContact CB-CG1 4.17Å; D118-I221 HydrophobicContact CB-CG2 4.48Å; V121-I221 HydrophobicContact CB-CG2 4.35Å; K217-I221 WeakPolarHBondContact O-CG1 3.11Å; K217-I221 PolarHBondContact O-N 3.13Å; Y218-I221 HydrophobicContact CD1-CD1 4.33Å; Y218-I221 PolarHBondContact O-N 2.81Å; Y218-I221 VanDerWaalsContact O-N 3.14Å; I221-K223 VanDerWaalsContact C-N 3.32Å; I221-K223 PolarHBondContact O-N 3.5Å; I221-K224 PolarHBondContact O-N 2.73Å; I221-H225 PolarHBondContact O-CD2 3Å; I221-H225 VanDerWaalsContact O-CD2 3.25Å; I221-H225 PolarHBondContact O-N 2.84Å
222M98Very high95.8Very high8 Ų867.5 Ų67.54%0.03933%0.329CS..Hα-helixtrans-58.6-43.3176.8-72.3-168.4-68.300112V149 Y218 D219 G226 V227 A231 M233 L236V149-M222 HydrophobicContact CG1-CG 3.7Å; V149-M222 HydrophobicContact CG1-SD 4.24Å; V149-M222 HydrophobicContact CG2-CG 4.13Å; V149-M222 HydrophobicContact CG2-SD 4.18Å; Y218-M222 WeakPolarHBondContact O-CG 3.23Å; Y218-M222 PolarHBondContact O-N 2.81Å; D219-M222 PolarHBondContact O-N 3.39Å; M222-G226 PolarHBondContact O-N 3.44Å; M222-V227 HydrophobicContact CB-CB 4.05Å; M222-V227 HydrophobicContact CB-CG2 4.23Å; M222-V227 HydrophobicContact CG-CB 4.34Å; M222-V227 HydrophobicContact CG-CG1 4.49Å; M222-V227 HydrophobicContact CG-CG2 4.32Å; M222-V227 PolarHBondContact O-N 3.28Å; M222-A231 VanDerWaalsContact CE-O 3.3Å; M222-A231 WeakPolarHBondContact CE-O 3.48Å; M222-M233 HydrophobicContact CE-CB 4.18Å; M222-L236 HydrophobicContact CE-CD1 4.03Å; M222-L236 HydrophobicContact SD-CD1 3.63Å
223K97.8Very high95.9Very high164 Ų16460.6 Ų60.671%0.71330%0.302SS*.Hα-helixtrans-65.2-44.7176.1-173.3177.8-178.9179.20112.2D219 R220 I221 H225 G226D219-K223 WeakPolarHBondContact O-CB 3.47Å; D219-K223 PolarHBondContact O-N 3.01Å; R220-K223 PolarHBondContact O-N 3.27Å; I221-K223 VanDerWaalsContact C-N 3.32Å; I221-K223 PolarHBondContact O-N 3.5Å; K223-H225 VanDerWaalsContact C-N 3.31Å; K223-H225 PolarHBondContact O-N 3.27Å; K223-G226 PolarHBondContact O-N 3.24Å
224K97.8Very high96Very high136 Ų13658.4 Ų58.459%0.59129%0.294SS*.Hα-helixtrans-57.5-43.2179.8176.1-176170.6-169.80111.5D118 R220 I221D118-K224 WeakPolarHBondContact OD1-CD 3.48Å; D118-K224 IonicContact OD1-NZ 2.92Å; D118-K224 PolarHBondContact OD1-NZ 3.43Å; D118-K224 IonicContact OD2-NZ 2.66Å; D118-K224 PolarHBondContact OD2-NZ 2.86Å; R220-K224 WeakPolarHBondContact O-CB 3.39Å; R220-K224 PolarHBondContact O-N 3.49Å; I221-K224 PolarHBondContact O-N 2.73Å
225H97.4Very high96.1Very high62 Ų6262 Ų6229%0.28731%0.313SS..THydrogen-bonded Turntrans-939.7-178.4-62.5-62.8000114.1D118 V121 G122 I221 K223 V227D118-H225 PolarHBondContact O-NE2 3.5Å; D118-H225 IonicContact OD1-CD2 3.9Å; D118-H225 IonicContact OD1-CE1 3.5Å; D118-H225 IonicContact OD1-NE2 3.72Å; D118-H225 PolarHBondContact OD1-NE2 3.11Å; V121-H225 HydrophobicContact CG1-CB 3.81Å; G122-H225 WeakPolarHBondContact CA-CE1 3.22Å; I221-H225 PolarHBondContact O-CD2 3Å; I221-H225 VanDerWaalsContact O-CD2 3.25Å; I221-H225 PolarHBondContact O-N 2.84Å; K223-H225 VanDerWaalsContact C-N 3.31Å; K223-H225 PolarHBondContact O-N 3.27Å; H225-V227 VanDerWaalsContact C-N 3.3Å; H225-V227 HydrophobicContact CB-CG2 4.45Å; H225-V227 PolarHBondContact O-N 3.23Å
226G96.1Very high96.1Very high39 Ų3962.1 Ų62.140%0.40231%0.313SS..THydrogen-bonded Turntrans62.533.2175.200000114.3M222 K223 K228M222-G226 PolarHBondContact O-N 3.44Å; K223-G226 PolarHBondContact O-N 3.24Å; G226-K228 PolarHBondContact O-N 3.01Å
227V96.3Very high96.1Very high13 Ų1361.1 Ų61.18%0.07931%0.306CS..  trans-61.6128-179.7175.80000110.2V121 I153 M222 H225V121-V227 HydrophobicContact CG1-CG2 4.37Å; I153-V227 HydrophobicContact CD1-CG1 4.45Å; I153-V227 HydrophobicContact CD1-CG2 3.82Å; I153-V227 HydrophobicContact CG1-CB 4.46Å; I153-V227 HydrophobicContact CG1-CG1 3.69Å; I153-V227 HydrophobicContact CG1-CG2 3.92Å; M222-V227 HydrophobicContact CB-CB 4.05Å; M222-V227 HydrophobicContact CB-CG2 4.23Å; M222-V227 HydrophobicContact CG-CB 4.34Å; M222-V227 HydrophobicContact CG-CG1 4.49Å; M222-V227 HydrophobicContact CG-CG2 4.32Å; M222-V227 PolarHBondContact O-N 3.28Å; H225-V227 VanDerWaalsContact C-N 3.3Å; H225-V227 HydrophobicContact CB-CG2 4.45Å; H225-V227 PolarHBondContact O-N 3.23Å
228K93.1Very high95.9Very high153 Ų15363 Ų6367%0.66532%0.316SS*.SBendtrans-128.7146.9179.6-71.4-179.1-176.7-179.60110.9G226G226-K228 PolarHBondContact O-N 3.01Å
229P94.8Very high95.6Very high94 Ų9463.7 Ų63.761%0.6132%0.324SS*.SBendcis-65.7156.4-6.329.2-34.4000111.8H152 A231H152-P229 PolarHBondContact NE2-O 3.15Å; P229-A231 PolarHBondContact O-N 3.14Å
230Y93.9Very high95.5Very high172 Ų17261.2 Ų61.268%0.67531%0.311SS*.  trans-67130176.8-68-69.8000109.8
231A95.3Very high95.3Very high33 Ų3357.3 Ų57.327%0.27330%0.297SS..  trans-142.7145.9175.500000108.7M222 P229 L236M222-A231 VanDerWaalsContact CE-O 3.3Å; M222-A231 WeakPolarHBondContact CE-O 3.48Å; P229-A231 PolarHBondContact O-N 3.14Å; A231-L236 HydrophobicContact CB-CD2 3.78Å; A231-L236 HydrophobicContact CB-CG 4.29Å
232A96Very high95.2Very high40 Ų4056.7 Ų56.733%0.33129%0.294SS..  trans-77.9146.1170.700000109.4D219 A234 D235 L236D219-A232 WeakPolarHBondContact OD1-CA 3.45Å; A232-A234 PolarHBondContact O-N 3.27Å; A232-D235 WeakPolarHBondContact CB-OD2 3.42Å; A232-D235 WeakPolarHBondContact O-CB 3.38Å; A232-D235 PolarHBondContact O-N 3.5Å; A232-L236 PolarHBondContact O-N 2.92Å; A232-L236 VanDerWaalsContact O-N 3.14Å
233M95.8Very high95Very high0 Ų056.4 Ų56.40%029%0.292CS..Hα-helixtrans-57.7-35.8177.7-174.866.9-167.600111.4M145 F148 V149 L215 Y218 D219 M222 D235 L236 V237M145-M233 HydrophobicContact CB-CE 3.78Å; M145-M233 HydrophobicContact CG-CE 4.45Å; M145-M233 HydrophobicContact SD-CE 4.46Å; F148-M233 HydrophobicContact CB-CE 3.61Å; F148-M233 HydrophobicContact CB-SD 4.34Å; F148-M233 HydrophobicContact CD2-CE 3.5Å; F148-M233 VanDerWaalsContact CD2-CE 3.5Å; F148-M233 HydrophobicContact CG-CE 3.9Å; V149-M233 HydrophobicContact CG2-SD 3.87Å; L215-M233 HydrophobicContact CB-CB 4.19Å; L215-M233 HydrophobicContact CB-CG 4.26Å; L215-M233 HydrophobicContact CD2-CB 4.48Å; L215-M233 HydrophobicContact CD2-CG 3.75Å; Y218-M233 HydrophobicContact CG-CE 4.39Å; Y218-M233 HydrophobicContact CG-CG 4.42Å; Y218-M233 HydrophobicContact CG-SD 4.2Å; D219-M233 WeakPolarHBondContact OD1-CB 3.42Å; D219-M233 PolarHBondContact OD1-N 3.08Å; M222-M233 HydrophobicContact CE-CB 4.18Å; M233-D235 VanDerWaalsContact C-N 3.3Å; M233-D235 PolarHBondContact O-N 2.87Å; M233-L236 WeakPolarHBondContact O-CB 3.23Å; M233-L236 PolarHBondContact O-N 2.89Å; M233-L236 VanDerWaalsContact O-N 3.17Å; M233-L236 HydrophobicContact SD-CD1 4.27Å; M233-V237 HydrophobicContact CE-CG2 3.91Å; M233-V237 WeakPolarHBondContact O-CG2 3.44Å; M233-V237 PolarHBondContact O-N 3.22Å
234A93.8Very high94.9Very high20 Ų2048.6 Ų48.617%0.16526%0.258CS..Hα-helixtrans-56.9-42.6174.200000112.4L215 A232 L236 V237 Q238L215-A234 HydrophobicContact CD1-CB 3.91Å; A232-A234 PolarHBondContact O-N 3.27Å; A234-L236 VanDerWaalsContact C-N 3.34Å; A234-V237 PolarHBondContact O-N 3.43Å; A234-Q238 WeakPolarHBondContact O-CG 3.18Å; A234-Q238 PolarHBondContact O-N 3.38Å
235D93.9Very high94.8Very high92 Ų9242.1 Ų42.149%0.49223%0.23SC..Hα-helixtrans-68.2-36.5178.4-55.6-32.7000110.9A232 M233 Q238 G239A232-D235 WeakPolarHBondContact CB-OD2 3.42Å; A232-D235 WeakPolarHBondContact O-CB 3.38Å; A232-D235 PolarHBondContact O-N 3.5Å; M233-D235 VanDerWaalsContact C-N 3.3Å; M233-D235 PolarHBondContact O-N 2.87Å; D235-Q238 PolarHBondContact O-N 2.95Å; D235-G239 PolarHBondContact O-N 2.87Å
236L95.8Very high94.5Very high9 Ų939.3 Ų39.35%0.04722%0.217CC..Hα-helixtrans-65-42.9174.3-57.5-173.3000111.5F148 H152 Y158 M222 A231 A232 M233 A234 Q238 G239F148-L236 HydrophobicContact CB-CB 4.2Å; H152-L236 HydrophobicContact CB-CD1 3.93Å; H152-L236 HydrophobicContact CB-CD2 3.94Å; Y158-L236 VanDerWaalsContact CE2-O 3.25Å; Y158-L236 WeakPolarHBondContact CE2-O 3.35Å; Y158-L236 VanDerWaalsContact CZ-O 3.31Å; Y158-L236 PolarHBondContact OH-O 3.41Å; M222-L236 HydrophobicContact CE-CD1 4.03Å; M222-L236 HydrophobicContact SD-CD1 3.63Å; A231-L236 HydrophobicContact CB-CD2 3.78Å; A231-L236 HydrophobicContact CB-CG 4.29Å; A232-L236 PolarHBondContact O-N 2.92Å; A232-L236 VanDerWaalsContact O-N 3.14Å; M233-L236 WeakPolarHBondContact O-CB 3.23Å; M233-L236 PolarHBondContact O-N 2.89Å; M233-L236 VanDerWaalsContact O-N 3.17Å; M233-L236 HydrophobicContact SD-CD1 4.27Å; A234-L236 VanDerWaalsContact C-N 3.34Å; L236-Q238 VanDerWaalsContact C-N 3.35Å; L236-Q238 PolarHBondContact O-N 3.19Å; L236-G239 PolarHBondContact O-N 2.81Å
237V94.8Very high94.2Very high7 Ų737.6 Ų37.64%0.04220%0.199CC..Hα-helixtrans-64.9-43.5177.1-175.60000110.5F148 E170 L215 M233 A234 G239 S240 W243F148-V237 HydrophobicContact CD2-CG2 4.01Å; F148-V237 HydrophobicContact CE2-CG1 4.39Å; F148-V237 HydrophobicContact CE2-CG2 3.96Å; F148-V237 HydrophobicContact CG-CG2 4.38Å; F148-V237 HydrophobicContact CZ-CB 4.5Å; F148-V237 HydrophobicContact CZ-CG1 4.06Å; F148-V237 HydrophobicContact CZ-CG2 4.29Å; E170-V237 HydrophobicContact CB-CB 4.41Å; E170-V237 HydrophobicContact CB-CG1 3.49Å; E170-V237 VanDerWaalsContact CB-CG1 3.49Å; E170-V237 HydrophobicContact CG-CB 4.47Å; E170-V237 HydrophobicContact CG-CG1 3.8Å; L215-V237 HydrophobicContact CD2-CG2 4.21Å; M233-V237 HydrophobicContact CE-CG2 3.91Å; M233-V237 WeakPolarHBondContact O-CG2 3.44Å; M233-V237 PolarHBondContact O-N 3.22Å; A234-V237 PolarHBondContact O-N 3.43Å; V237-G239 VanDerWaalsContact C-N 3.25Å; V237-G239 PolarHBondContact O-N 3.47Å; V237-S240 WeakPolarHBondContact O-CB 3.35Å; V237-S240 PolarHBondContact O-N 3.36Å; V237-S240 PolarHBondContact O-OG 3.32Å; V237-W243 HydrophobicContact CG1-CH2 3.59Å; V237-W243 HydrophobicContact CG1-CZ2 4.03Å
238Q92Very high93.9Very high67 Ų6737 Ų3731%0.31320%0.195SC..Hα-helixtrans-67.9-23.1176.8-68.4-179.913.300113.3A234 D235 L236 S240 R464 Y468A234-Q238 WeakPolarHBondContact O-CG 3.18Å; A234-Q238 PolarHBondContact O-N 3.38Å; D235-Q238 PolarHBondContact O-N 2.95Å; L236-Q238 VanDerWaalsContact C-N 3.35Å; L236-Q238 PolarHBondContact O-N 3.19Å; Q238-S240 PolarHBondContact O-N 2.63Å; Q238-R464 VanDerWaalsContact O-CZ 3.28Å; Q238-R464 PolarHBondContact O-NH1 3.05Å; Q238-R464 PolarHBondContact O-NH2 3.49Å; Q238-Y468 HydrophobicContact CB-CD1 3.88Å; Q238-Y468 HydrophobicContact CB-CE1 3.92Å; Q238-Y468 HydrophobicContact CG-CD1 3.97Å; Q238-Y468 HydrophobicContact CG-CE1 3.89Å
239G92.3Very high93.7Very high20 Ų2034.6 Ų34.621%0.20619%0.188CC..THydrogen-bonded Turntrans-72.3-4.3178.200000114.8Y158 D235 L236 V237 R241Y158-G239 WeakPolarHBondContact OH-CA 3.46Å; D235-G239 PolarHBondContact O-N 2.87Å; L236-G239 PolarHBondContact O-N 2.81Å; V237-G239 VanDerWaalsContact C-N 3.25Å; V237-G239 PolarHBondContact O-N 3.47Å; G239-R241 PolarHBondContact O-N 3.49Å
240S94.3Very high93.7Very high0 Ų030.3 Ų30.30%016%0.16CC..  trans-54.3132.8176.3-59.40000112.4F148 V160 V237 Q238F148-S240 WeakPolarHBondContact CE1-OG 3.42Å; V160-S240 WeakPolarHBondContact CG2-OG 3.42Å; V237-S240 WeakPolarHBondContact O-CB 3.35Å; V237-S240 PolarHBondContact O-N 3.36Å; V237-S240 PolarHBondContact O-OG 3.32Å; Q238-S240 PolarHBondContact O-N 2.63Å
241R94.7Very high93.6Very high62 Ų6222.1 Ų22.123%0.23413%0.128CC..SBendtrans-76.3-33.4-178.6-59.6-49.2-179.4102.29.3113.3Q157 Y158 G239 I454 S458 G459 N461Q157-R241 HydrophobicContact CB-CG 4.35Å; Y158-R241 WeakPolarHBondContact O-CB 3.49Å; Y158-R241 WeakPolarHBondContact O-CG 3.34Å; Y158-R241 PolarHBondContact O-N 2.65Å; G239-R241 PolarHBondContact O-N 3.49Å; R241-I454 HydrophobicContact CB-CG2 4.28Å; R241-S458 PolarHBondContact NH1-O 2.98Å; R241-G459 WeakPolarHBondContact CB-O 3.26Å; R241-N461 PolarHBondContact NH1-OD1 2.92Å
242L94.9Very high93.5Very high0 Ų021.4 Ų21.40%012%0.119CC..  trans-152.9151.4179.8-161.579.2000109.6A159 V160 M244 H260 V262 W450 I454 L463A159-L242 HydrophobicContact CB-CB 4.24Å; V160-L242 PolarHBondContact N-O 3.48Å; L242-M244 HydrophobicContact CD2-CG 3.86Å; L242-M244 HydrophobicContact CD2-SD 4.42Å; L242-H260 WeakPolarHBondContact CA-O 3.17Å; L242-H260 HydrophobicContact CD1-CB 4.19Å; L242-H260 WeakPolarHBondContact CD1-O 3.36Å; L242-H260 WeakPolarHBondContact CG-O 3.3Å; L242-V262 HydrophobicContact CD1-CG2 4.14Å; L242-V262 HydrophobicContact CD2-CG2 3.93Å; L242-V262 HydrophobicContact CG-CG2 4.22Å; L242-W450 HydrophobicContact CD1-CE3 4.25Å; L242-W450 HydrophobicContact CD2-CB 3.63Å; L242-W450 HydrophobicContact CD2-CD2 4.17Å; L242-W450 HydrophobicContact CD2-CE3 4.1Å; L242-W450 HydrophobicContact CD2-CG 4.02Å; L242-I454 HydrophobicContact CB-CD1 3.44Å; L242-I454 VanDerWaalsContact CB-CD1 3.44Å; L242-I454 HydrophobicContact CB-CG1 4.25Å; L242-I454 HydrophobicContact CD2-CD1 3.8Å; L242-I454 HydrophobicContact CD2-CG1 4.41Å; L242-I454 HydrophobicContact CG-CD1 4.21Å; L242-L463 HydrophobicContact CD1-CD1 4.26Å
243W95.1Very high93.3Very high1 Ų120 Ų200%0.00411%0.106CC..EExtended strand (participates in β ladder)trans-115.8104.1173.5-66.383.1000109.6V160 P168 E170 V171 V237 L245 H260 V261 V262V160-W243 HydrophobicContact CB-CD2 3.96Å; V160-W243 HydrophobicContact CB-CE3 3.55Å; V160-W243 HydrophobicContact CB-CZ3 3.93Å; V160-W243 HydrophobicContact CG1-CD2 4.37Å; V160-W243 HydrophobicContact CG1-CE3 3.48Å; V160-W243 VanDerWaalsContact CG1-CE3 3.48Å; V160-W243 HydrophobicContact CG1-CZ3 3.65Å; V160-W243 HydrophobicContact CG2-CD2 4.06Å; V160-W243 HydrophobicContact CG2-CE3 3.77Å; V160-W243 HydrophobicContact CG2-CH2 3.99Å; V160-W243 HydrophobicContact CG2-CZ2 4.27Å; V160-W243 HydrophobicContact CG2-CZ3 3.71Å; P168-W243 HydrophobicContact CB-CH2 4.2Å; P168-W243 HydrophobicContact CB-CZ3 3.87Å; P168-W243 HydrophobicContact CG-CE3 4.1Å; P168-W243 HydrophobicContact CG-CH2 4.42Å; P168-W243 HydrophobicContact CG-CZ3 3.61Å; E170-W243 HydrophobicContact CB-CH2 4Å; E170-W243 HydrophobicContact CB-CZ2 4.19Å; V171-W243 HydrophobicContact CG2-CB 4.35Å; V171-W243 HydrophobicContact CG2-CD2 3.53Å; V171-W243 HydrophobicContact CG2-CE3 3.72Å; V171-W243 HydrophobicContact CG2-CG 3.83Å; V171-W243 HydrophobicContact CG2-CZ2 4.37Å; V171-W243 HydrophobicContact CG2-CZ3 4.24Å; V237-W243 HydrophobicContact CG1-CH2 3.59Å; V237-W243 HydrophobicContact CG1-CZ2 4.03Å; W243-L245 HydrophobicContact CB-CD2 4.32Å; W243-H260 AromaticContact CD1-CD2 3.42Å; W243-H260 VanDerWaalsContact CD1-CD2 3.42Å; W243-H260 AromaticContact CD1-NE2 3.59Å; W243-H260 PolarHBondContact N-O 2.88Å; W243-H260 AromaticContact NE1-CD2 3.87Å; W243-H260 AromaticContact NE1-NE2 3.76Å; W243-V261 HydrophobicContact CB-CG2 4.35Å; W243-V261 CarbonylContact O-C 3.54Å; W243-V261 WeakPolarHBondContact O-CA 3.42Å; W243-V262 PolarHBondContact O-N 3.02Å
244M95.4Very high93.1Very high0 Ų023.8 Ų23.80%013%0.13CC..EExtended strand (participates in β ladder)trans-93.5107.7171.7-63.9174.6-76.500108.2L139 A159 V160 F161 S162 L242 V262 I264 A447 I451L139-M244 HydrophobicContact CD2-CE 3.95Å; A159-M244 HydrophobicContact CB-CE 3.98Å; V160-M244 WeakPolarHBondContact O-CB 3.46Å; V160-M244 PolarHBondContact O-N 2.99Å; F161-M244 CarbonylContact C-O 3.59Å; F161-M244 WeakPolarHBondContact CA-O 3.4Å; F161-M244 HydrophobicContact CB-CE 4.36Å; F161-M244 HydrophobicContact CD2-CB 4.23Å; F161-M244 HydrophobicContact CD2-CE 3.83Å; F161-M244 HydrophobicContact CD2-SD 4.12Å; S162-M244 PolarHBondContact N-O 3.36Å; L242-M244 HydrophobicContact CD2-CG 3.86Å; L242-M244 HydrophobicContact CD2-SD 4.42Å; M244-V262 CarbonylContact C-O 3.54Å; M244-V262 WeakPolarHBondContact CA-O 3.45Å; M244-I264 HydrophobicContact CB-CD1 3.63Å; M244-I264 HydrophobicContact CB-CG1 4.02Å; M244-A447 HydrophobicContact SD-CB 4.31Å; M244-I451 HydrophobicContact CE-CD1 4.36Å; M244-I451 HydrophobicContact CE-CG1 4Å; M244-I451 HydrophobicContact SD-CD1 4.44Å; M244-I451 HydrophobicContact SD-CG1 4.1Å
245L94.3Very high93.1Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-98125.6-177.7-52.3-177.5000109Y167 W243 T247 V261 V262 Y263 I264Y167-L245 HydrophobicContact CD2-CD1 3.38Å; Y167-L245 HydrophobicContact CE2-CD1 3.62Å; Y167-L245 HydrophobicContact CG-CD1 4.14Å; W243-L245 HydrophobicContact CB-CD2 4.32Å; L245-T247 PolarHBondContact O-N 2.94Å; L245-V261 HydrophobicContact CD1-CG1 3.73Å; L245-V261 HydrophobicContact CG-CG1 4.14Å; L245-V262 PolarHBondContact N-O 3.43Å; L245-Y263 HydrophobicContact CD1-CE1 4.3Å; L245-I264 WeakPolarHBondContact O-CG1 3.36Å; L245-I264 PolarHBondContact O-N 3.48Å
246C91.7Very high93.1Very high3 Ų322.3 Ų22.32%0.0212%0.118CC..SBendtrans-71.640172.3-72.10000112.4F161 S162 G265 L364 Y368F161-C246 WeakPolarHBondContact CE1-SG 3.24Å; S162-C246 WeakPolarHBondContact O-CA 3.25Å; S162-C246 WeakPolarHBondContact O-CB 3.19Å; S162-C246 PolarHBondContact O-N 3.33Å; S162-C246 PolarHBondContact O-SG 3.45Å; C246-G265 WeakPolarHBondContact O-CA 3.23Å; C246-L364 WeakPolarHBondContact O-CD2 3.28Å; C246-Y368 WeakPolarHBondContact O-CE2 2.9Å
247T90.5Very high92.9Very high3 Ų325 Ų252%0.01814%0.135CC..  trans-117.5161.7171.771.50000110.1L165 L245 Y263 I264 G265 Y368L165-T247 HydrophobicContact CD1-CG2 3.8Å; L245-T247 PolarHBondContact O-N 2.94Å; T247-Y263 WeakPolarHBondContact O-CB 3.21Å; T247-Y263 VanDerWaalsContact OG1-CD1 3.3Å; T247-Y263 WeakPolarHBondContact OG1-CD1 3.46Å; T247-I264 PolarHBondContact O-N 3.36Å; T247-G265 WeakPolarHBondContact O-CA 3.4Å; T247-G265 PolarHBondContact O-N 3.03Å; T247-Y368 WeakPolarHBondContact CA-OH 3.3Å
248D89.1Confident92.9Very high0 Ų025.9 Ų25.90%014%0.139CC..  trans-135.7156.1-178.6104.9109.7000111.1A250 L251 E252 Y368 M371 H436D248-A250 VanDerWaalsContact C-N 3.29Å; D248-A250 PolarHBondContact O-N 3.2Å; D248-A250 WeakPolarHBondContact OD1-CB 3.24Å; D248-A250 PolarHBondContact OD1-N 2.95Å; D248-L251 WeakPolarHBondContact OD2-CB 3.4Å; D248-L251 PolarHBondContact OD2-N 2.75Å; D248-E252 WeakPolarHBondContact O-CB 3.35Å; D248-E252 WeakPolarHBondContact O-CG 3.46Å; D248-E252 PolarHBondContact O-N 3.06Å; D248-Y368 HydrophobicContact CB-CE1 3.76Å; D248-Y368 PolarHBondContact N-OH 2.92Å; D248-Y368 VanDerWaalsContact OD2-CE1 3.28Å; D248-Y368 WeakPolarHBondContact OD2-CE1 3.23Å; D248-Y368 PolarHBondContact OD2-OH 3.15Å; D248-M371 VanDerWaalsContact OD2-CE 3.28Å; D248-M371 WeakPolarHBondContact OD2-CE 3.41Å; D248-H436 VanDerWaalsContact CG-ND1 3.32Å; D248-H436 IonicContact OD1-CE1 3.83Å; D248-H436 IonicContact OD1-CG 3.49Å; D248-H436 IonicContact OD1-ND1 3.85Å; D248-H436 PolarHBondContact OD1-ND1 3.48Å; D248-H436 IonicContact OD2-ND1 3.97Å
249M89.8Confident93Very high103 Ų10326.6 Ų26.651%0.50715%0.15SC..THydrogen-bonded Turntrans-74-17.6-174.9-63.5-66.5-7500113.3Y263M249-Y263 HydrophobicContact CG-CD2 4.21Å; M249-Y263 HydrophobicContact CG-CG 4.45Å; M249-Y263 HydrophobicContact SD-CD2 3.96Å; M249-Y263 HydrophobicContact SD-CE1 4.34Å; M249-Y263 HydrophobicContact SD-CE2 3.68Å; M249-Y263 HydrophobicContact SD-CG 4.4Å
250A93.7Very high93.1Very high4 Ų425.7 Ų25.73%0.03314%0.14CC..THydrogen-bonded Turntrans-68.7-48.7175.600000110.6D248 M371 K396 L432 I435 H436D248-A250 VanDerWaalsContact C-N 3.29Å; D248-A250 PolarHBondContact O-N 3.2Å; D248-A250 WeakPolarHBondContact OD1-CB 3.24Å; D248-A250 PolarHBondContact OD1-N 2.95Å; A250-M371 HydrophobicContact CB-CE 4.41Å; A250-M371 HydrophobicContact CB-SD 4.2Å; A250-K396 WeakPolarHBondContact O-CE 3.37Å; A250-K396 PolarHBondContact O-NZ 3.02Å; A250-L432 HydrophobicContact CB-CD2 4.39Å; A250-I435 HydrophobicContact CB-CB 4.15Å; A250-I435 HydrophobicContact CB-CG2 3.82Å; A250-H436 HydrophobicContact CB-CB 4.2Å
251L93.4Very high93.1Very high0 Ų026.4 Ų26.40%014%0.144CC..THydrogen-bonded Turntrans-84.2-35.4-178.1-170.461.6000113.2D248 I367 M371 T389 R392 V393 K396D248-L251 WeakPolarHBondContact OD2-CB 3.4Å; D248-L251 PolarHBondContact OD2-N 2.75Å; L251-I367 HydrophobicContact CD2-CG2 3.85Å; L251-M371 HydrophobicContact CB-CE 4.17Å; L251-M371 HydrophobicContact CB-SD 4.08Å; L251-T389 HydrophobicContact CD2-CG2 4.47Å; L251-R392 HydrophobicContact CD1-CB 3.88Å; L251-R392 HydrophobicContact CG-CB 3.98Å; L251-V393 HydrophobicContact CD1-CG2 4.09Å; L251-K396 WeakPolarHBondContact O-CE 3.35Å
252E91.5Very high93.1Very high18 Ų1823.8 Ų23.88%0.08414%0.135CC..SBendtrans-69.3159.4-177.3-80.5-67.8171.400114.4L165 D248 R392 K396L165-E252 WeakPolarHBondContact CD1-OE1 3.36Å; D248-E252 WeakPolarHBondContact O-CB 3.35Å; D248-E252 WeakPolarHBondContact O-CG 3.46Å; D248-E252 PolarHBondContact O-N 3.06Å; E252-R392 IonicContact OE1-CZ 3.32Å; E252-R392 IonicContact OE1-NE 3.37Å; E252-R392 PolarHBondContact OE1-NE 3.45Å; E252-R392 IonicContact OE1-NH2 2.94Å; E252-R392 IonicContact OE2-CZ 3.34Å; E252-R392 VanDerWaalsContact OE2-CZ 3.32Å; E252-R392 IonicContact OE2-NE 2.81Å; E252-R392 PolarHBondContact OE2-NE 3.41Å; E252-R392 IonicContact OE2-NH2 3.92Å; E252-R392 PolarHBondContact OE2-NH2 2.91Å; E252-K396 WeakPolarHBondContact O-CE 3.29Å; E252-K396 PolarHBondContact O-NZ 2.98Å
253F93.3Very high93Very high12 Ų1225.3 Ų25.35%0.05314%0.141CC..PPolyproline II helixtrans-81134.6167-63-57.5000110.1P181 T188 D189 R255 R392 A395P181-F253 HydrophobicContact CG-CD2 3.58Å; P181-F253 HydrophobicContact CG-CE2 3.99Å; P181-F253 HydrophobicContact CG-CG 4.5Å; T188-F253 HydrophobicContact CG2-CZ 4.01Å; D189-F253 HydrophobicContact CB-CB 4.06Å; D189-F253 HydrophobicContact CB-CD1 3.91Å; D189-F253 HydrophobicContact CB-CG 4.02Å; F253-R255 PolarHBondContact O-N 3.43Å; F253-R392 HydrophobicContact CD2-CG 4.31Å; F253-R392 HydrophobicContact CE2-CG 3.84Å; F253-R392 HydrophobicContact CZ-CG 4.17Å; F253-A395 HydrophobicContact CE1-CB 3.87Å; F253-A395 HydrophobicContact CZ-CB 3.69Å
254P91.6Very high93Very high78 Ų7825.2 Ų25.251%0.50614%0.141SC..PPolyproline II helixtrans-56.7132.5176.5-25.534.8000112.1
255R92.8Very high92.9Very high45 Ų4525.3 Ų25.317%0.1714%0.141CC..  trans-149162.1179.164171.1-67162.43.4111.9Y167 P174 V180 F253 T257Y167-R255 VanDerWaalsContact CB-NH1 3.29Å; P174-R255 PolarHBondContact O-NH2 2.87Å; V180-R255 HydrophobicContact CG1-CB 4.41Å; V180-R255 HydrophobicContact CG2-CB 3.84Å; F253-R255 PolarHBondContact O-N 3.43Å; R255-T257 PolarHBondContact O-N 3.46Å
256P93.3Very high92.9Very high36 Ų3625.4 Ų25.423%0.23414%0.142CC..  trans-59.2136.2168.9-22.835.3000111P174 P176 Y179P174-P256 HydrophobicContact CB-CB 4.22Å; P174-P256 HydrophobicContact CB-CG 4.4Å; P174-P256 HydrophobicContact CG-CB 4.43Å; P176-P256 HydrophobicContact CG-CG 4.06Å; Y179-P256 WeakPolarHBondContact OH-CD 2.86Å; Y179-P256 WeakPolarHBondContact OH-CG 3.22Å
257T93Very high93Very high66 Ų6625.4 Ų25.441%0.40514%0.142SC..  trans-133.8168.8176.6-1630000110.3Y167 R255 V261Y167-T257 PolarHBondContact OH-OG1 2.98Å; R255-T257 PolarHBondContact O-N 3.46Å; T257-V261 WeakPolarHBondContact OG1-CB 3.35Å
258L94Very high93.2Very high25 Ų2527 Ų2713%0.13115%0.15CC..  trans-119.3157.1-178.8-70.3175.8000111.1V171 G172 A173 H260 V261 V467V171-L258 WeakPolarHBondContact O-CD1 3.42Å; G172-L258 VanDerWaalsContact C-CD1 3.49Å; A173-L258 HydrophobicContact CB-CD1 4.09Å; A173-L258 HydrophobicContact CB-CG 3.91Å; L258-H260 VanDerWaalsContact CB-CE1 3.43Å; L258-H260 WeakPolarHBondContact CB-CE1 3.49Å; L258-H260 VanDerWaalsContact CB-ND1 3.32Å; L258-H260 WeakPolarHBondContact CB-ND1 3.2Å; L258-H260 PolarHBondContact O-N 3.23Å; L258-H260 VanDerWaalsContact O-N 3.08Å; L258-V261 HydrophobicContact CB-CG2 4.29Å; L258-V261 WeakPolarHBondContact O-CB 3.32Å; L258-V261 PolarHBondContact O-N 3.5Å; L258-V467 HydrophobicContact CD1-CG1 4.2Å
259P94.4Very high93.5Very high83 Ų8327.1 Ų27.154%0.53915%0.151SC..THydrogen-bonded Turntrans-60.3-22.1-174.5-25.335.4000115V261 L463P259-V261 VanDerWaalsContact C-N 3.28Å; P259-L463 HydrophobicContact CB-CB 4.37Å; P259-L463 HydrophobicContact CB-CD2 4.07Å
260H94.1Very high93.8Very high1 Ų127.2 Ų27.21%0.00515%0.149CC..THydrogen-bonded Turntrans-88.212.7176.469.6-52.6000113.7V171 L242 W243 L258 L463 Y468V171-H260 PolarHBondContact O-CE1 3.37Å; V171-H260 VanDerWaalsContact O-CE1 3.26Å; V171-H260 PolarHBondContact O-NE2 2.93Å; L242-H260 WeakPolarHBondContact CA-O 3.17Å; L242-H260 HydrophobicContact CD1-CB 4.19Å; L242-H260 WeakPolarHBondContact CD1-O 3.36Å; L242-H260 WeakPolarHBondContact CG-O 3.3Å; W243-H260 AromaticContact CD1-CD2 3.42Å; W243-H260 VanDerWaalsContact CD1-CD2 3.42Å; W243-H260 AromaticContact CD1-NE2 3.59Å; W243-H260 PolarHBondContact N-O 2.88Å; W243-H260 AromaticContact NE1-CD2 3.87Å; W243-H260 AromaticContact NE1-NE2 3.76Å; L258-H260 VanDerWaalsContact CB-CE1 3.43Å; L258-H260 WeakPolarHBondContact CB-CE1 3.49Å; L258-H260 VanDerWaalsContact CB-ND1 3.32Å; L258-H260 WeakPolarHBondContact CB-ND1 3.2Å; L258-H260 PolarHBondContact O-N 3.23Å; L258-H260 VanDerWaalsContact O-N 3.08Å; H260-L463 HydrophobicContact CB-CB 3.98Å; H260-Y468 AromaticContact NE2-CE2 3.79Å; H260-Y468 AromaticContact NE2-CZ 3.83Å; H260-Y468 PolarHBondContact NE2-OH 2.98Å
261V94.6Very high93.9Very high14 Ų1431 Ų319%0.08517%0.174CC..EExtended strand (participates in β ladder)trans-109.9130.9176.7-175.30000109.8Y167 V171 W243 L245 T257 L258 P259Y167-V261 HydrophobicContact CE2-CG1 4.13Å; V171-V261 HydrophobicContact CG1-CG2 3.24Å; W243-V261 HydrophobicContact CB-CG2 4.35Å; W243-V261 CarbonylContact O-C 3.54Å; W243-V261 WeakPolarHBondContact O-CA 3.42Å; L245-V261 HydrophobicContact CD1-CG1 3.73Å; L245-V261 HydrophobicContact CG-CG1 4.14Å; T257-V261 WeakPolarHBondContact OG1-CB 3.35Å; L258-V261 HydrophobicContact CB-CG2 4.29Å; L258-V261 WeakPolarHBondContact O-CB 3.32Å; L258-V261 PolarHBondContact O-N 3.5Å; P259-V261 VanDerWaalsContact C-N 3.28Å
262V93.7Very high94.1Very high8 Ų834 Ų345%0.04819%0.192CC..EExtended strand (participates in β ladder)trans-130.3128.2-179-176.50000109.6L242 W243 M244 L245 I264 R446 W450L242-V262 HydrophobicContact CD1-CG2 4.14Å; L242-V262 HydrophobicContact CD2-CG2 3.93Å; L242-V262 HydrophobicContact CG-CG2 4.22Å; W243-V262 PolarHBondContact O-N 3.02Å; M244-V262 CarbonylContact C-O 3.54Å; M244-V262 WeakPolarHBondContact CA-O 3.45Å; L245-V262 PolarHBondContact N-O 3.43Å; V262-I264 HydrophobicContact CG1-CG2 4.01Å; V262-R446 HydrophobicContact CG1-CG 4.31Å; V262-W450 HydrophobicContact CG1-CG 4.23Å; V262-W450 VanDerWaalsContact CG1-NE1 3.34Å; V262-W450 HydrophobicContact CG2-CD2 3.68Å; V262-W450 VanDerWaalsContact CG2-CE2 3.46Å; V262-W450 HydrophobicContact CG2-CE3 4.35Å; V262-W450 HydrophobicContact CG2-CG 3.86Å; V262-W450 HydrophobicContact CG2-CZ2 3.95Å
263Y94.1Very high94.3Very high31 Ų3135.8 Ų35.812%0.12221%0.207CC..EExtended strand (participates in β ladder)trans-85.3123.9174.1-64-77.4000110.7L245 T247 M249 R446L245-Y263 HydrophobicContact CD1-CE1 4.3Å; T247-Y263 WeakPolarHBondContact O-CB 3.21Å; T247-Y263 VanDerWaalsContact OG1-CD1 3.3Å; T247-Y263 WeakPolarHBondContact OG1-CD1 3.46Å; M249-Y263 HydrophobicContact CG-CD2 4.21Å; M249-Y263 HydrophobicContact CG-CG 4.45Å; M249-Y263 HydrophobicContact SD-CD2 3.96Å; M249-Y263 HydrophobicContact SD-CE1 4.34Å; M249-Y263 HydrophobicContact SD-CE2 3.68Å; M249-Y263 HydrophobicContact SD-CG 4.4Å; Y263-R446 PolarHBondContact O-NH1 2.81Å
264I94.7Very high94.5Very high0 Ų041.2 Ų41.20%024%0.244CC..  trans-134.831.4-178.957.8155.3000111.4F161 M244 L245 T247 V262 I267 P443 A447F161-I264 HydrophobicContact CD1-CD1 4.38Å; F161-I264 HydrophobicContact CD2-CD1 3.85Å; F161-I264 HydrophobicContact CE1-CD1 3.81Å; F161-I264 HydrophobicContact CE2-CD1 3.22Å; F161-I264 HydrophobicContact CG-CD1 4.4Å; F161-I264 HydrophobicContact CZ-CD1 3.21Å; M244-I264 HydrophobicContact CB-CD1 3.63Å; M244-I264 HydrophobicContact CB-CG1 4.02Å; L245-I264 WeakPolarHBondContact O-CG1 3.36Å; L245-I264 PolarHBondContact O-N 3.48Å; T247-I264 PolarHBondContact O-N 3.36Å; V262-I264 HydrophobicContact CG1-CG2 4.01Å; I264-I267 HydrophobicContact CB-CD1 4.33Å; I264-I267 HydrophobicContact CD1-CD1 4.23Å; I264-I267 HydrophobicContact CD1-CG1 4.43Å; I264-I267 WeakPolarHBondContact O-CG1 3.47Å; I264-P443 HydrophobicContact CB-CB 4.42Å; I264-A447 HydrophobicContact CD1-CB 4.26Å; I264-A447 HydrophobicContact CG2-CB 4.2Å
265G93.8Very high94.7Very high1 Ų138.4 Ų38.41%0.0122%0.224CC..THydrogen-bonded Turntrans-59.9143.6172.900000112.1C246 T247 H436 P443C246-G265 WeakPolarHBondContact O-CA 3.23Å; T247-G265 WeakPolarHBondContact O-CA 3.4Å; T247-G265 PolarHBondContact O-N 3.03Å; G265-H436 PolarHBondContact O-CE1 3.27Å; G265-P443 WeakPolarHBondContact O-CB 3.39Å; G265-P443 WeakPolarHBondContact O-CG 3.4Å
266G94.1Very high94.9Very high2 Ų239.4 Ų39.42%0.02124%0.236CC..THydrogen-bonded Turntrans88.123.7-179.600000116L268 T269G266-L268 PolarHBondContact O-N 2.94Å; G266-L268 VanDerWaalsContact O-N 3.13Å; G266-T269 WeakPolarHBondContact O-CB 3.24Å; G266-T269 WeakPolarHBondContact O-CG2 3.37Å; G266-T269 PolarHBondContact O-N 3.3Å; G266-T269 PolarHBondContact O-OG1 2.86Å
267I94.3Very high95Very high4 Ų446.2 Ų46.22%0.02127%0.265CS..THydrogen-bonded Turntrans-50.3-38.6179.1-71.6-69.5000113.7I40 T43 F161 I264 P443 V444I40-I267 HydrophobicContact CG2-CB 4.27Å; I40-I267 HydrophobicContact CG2-CG1 4.38Å; I40-I267 HydrophobicContact CG2-CG2 3.85Å; T43-I267 HydrophobicContact CG2-CG2 4.11Å; F161-I267 HydrophobicContact CZ-CD1 4.14Å; F161-I267 HydrophobicContact CZ-CG1 4.1Å; I264-I267 HydrophobicContact CB-CD1 4.33Å; I264-I267 HydrophobicContact CD1-CD1 4.23Å; I264-I267 HydrophobicContact CD1-CG1 4.43Å; I264-I267 WeakPolarHBondContact O-CG1 3.47Å; I267-P443 HydrophobicContact CD1-CB 3.91Å; I267-P443 HydrophobicContact CG1-CB 4.43Å; I267-V444 HydrophobicContact CB-CG2 4.43Å; I267-V444 HydrophobicContact CD1-CB 4.47Å; I267-V444 HydrophobicContact CD1-CG2 3.89Å; I267-V444 HydrophobicContact CG2-CG2 3.9Å; I267-V444 VanDerWaalsContact O-CG2 3.29Å; I267-V444 WeakPolarHBondContact O-CG2 3.21Å
268L94.5Very high95.1Very high35 Ų3546.9 Ų46.918%0.18327%0.272CS..THydrogen-bonded Turntrans-88.3-5.4-176.7-60.4-177.4000113.8I40 T43 G266 N365I40-L268 HydrophobicContact CG1-CD1 4.05Å; I40-L268 HydrophobicContact CG1-CD2 4.38Å; I40-L268 HydrophobicContact CG1-CG 4.12Å; T43-L268 HydrophobicContact CG2-CD2 4.44Å; T43-L268 VanDerWaalsContact OG1-CD2 3.22Å; T43-L268 WeakPolarHBondContact OG1-CD2 3.33Å; G266-L268 PolarHBondContact O-N 2.94Å; G266-L268 VanDerWaalsContact O-N 3.13Å; L268-N365 HydrophobicContact CD1-CB 4.09Å
269T95.1Very high95.2Very high4 Ų446.7 Ų46.73%0.02527%0.271CS..  trans-71145.4-179.367.30000110.6G266 E369 Y372 H442G266-T269 WeakPolarHBondContact O-CB 3.24Å; G266-T269 WeakPolarHBondContact O-CG2 3.37Å; G266-T269 PolarHBondContact O-N 3.3Å; G266-T269 PolarHBondContact O-OG1 2.86Å; T269-E369 HydrophobicContact CG2-CG 4.44Å; T269-Y372 HydrophobicContact CG2-CD2 4.25Å; T269-Y372 HydrophobicContact CG2-CG 4.19Å; T269-Y372 WeakPolarHBondContact OG1-CD2 3.23Å; T269-H442 PolarHBondContact O-CE1 2.82Å; T269-H442 PolarHBondContact O-NE2 3.34Å
270K95.3Very high95.2Very high104 Ų10446 Ų4645%0.45226%0.261SS..  trans-160.2159176.759.4-176.1-178.2174.20110.7N347 Y372 H373K270-N347 WeakPolarHBondContact CG-ND2 3.47Å; K270-N347 PolarHBondContact N-OD1 3.31Å; K270-N347 PolarHBondContact O-ND2 2.05Å; K270-N347 PolarHBondContact O-OD1 3.29Å; K270-N347 VanDerWaalsContact O-OD1 3.1Å; K270-Y372 WeakPolarHBondContact O-CE1 3.4Å; K270-H373 PolarHBondContact O-CE1 3.23Å; K270-H373 PolarHBondContact O-NE2 2.62Å
271P96.8Very high95.2Very high85 Ų8549 Ų4955%0.55229%0.285SS*.PPolyproline II helixtrans-52.4146168.5-24.734.8000111.3S273 Y372P271-S273 PolarHBondContact O-N 3.35Å; P271-Y372 WeakPolarHBondContact CD-OH 3.48Å
272P96.8Very high95.1Very high61 Ų6150 Ų5040%0.39629%0.29SS..PPolyproline II helixtrans-66.6131.5-179.128.5-32.2000110.2D348P272-D348 WeakPolarHBondContact CA-OD1 3.33Å; P272-D348 HydrophobicContact CB-CB 4.47Å
273S96.9Very high95.2Very high57 Ų5749.7 Ų49.740%0.39929%0.288SS..PPolyproline II helixtrans-81.9158.5167.2-59.70000110.4P271 L275 D348P271-S273 PolarHBondContact O-N 3.35Å; S273-L275 PolarHBondContact O-N 2.86Å; S273-D348 PolarHBondContact N-OD1 2.8Å
274P96.4Very high95Very high125 Ų12553.3 Ų53.381%0.81231%0.309SS*.PPolyproline II helixtrans-54.3134.3172.5-25.735000111.6
275L97.1Very high94.8Very high20 Ų2058.1 Ų58.111%0.10534%0.335CS..PPolyproline II helixtrans-67140.9-179.9-67.2175.2000110.5S273 F279 Q280 V283 P345 D348 L349S273-L275 PolarHBondContact O-N 2.86Å; L275-F279 HydrophobicContact CB-CB 4.3Å; L275-Q280 HydrophobicContact CB-CB 4.5Å; L275-V283 HydrophobicContact CD1-CG2 3.86Å; L275-P345 HydrophobicContact CD2-CG 3.83Å; L275-D348 HydrophobicContact CD2-CB 3.75Å; L275-L349 HydrophobicContact CD1-CD2 3.95Å; L275-L349 HydrophobicContact CD2-CD2 3.88Å; L275-L349 HydrophobicContact CD2-CG 4.04Å
276P96.3Very high94.8Very high65 Ų6558.3 Ų58.342%0.42234%0.336SS..PPolyproline II helixtrans-56148.9167.6-21.832.8000110.8S278 F279 Q280 P345P276-S278 PolarHBondContact O-N 3.33Å; P276-F279 HydrophobicContact CB-CD2 4.39Å; P276-F279 HydrophobicContact CG-CD2 4.35Å; P276-F279 PolarHBondContact O-N 3.34Å; P276-Q280 PolarHBondContact O-N 3.39Å; P276-P345 HydrophobicContact CG-CG 4.43Å
277Q95.1Very high94.7Very high179 Ų17961.8 Ų61.884%0.83637%0.365SS*.Hα-helixtrans-51.6-37.4-175.7-71.1-178.4-2.600113.5F279 Q280 A281Q277-F279 VanDerWaalsContact C-N 3.32Å; Q277-F279 PolarHBondContact O-N 2.9Å; Q277-Q280 PolarHBondContact O-N 2.81Å; Q277-A281 WeakPolarHBondContact O-CB 3.19Å; Q277-A281 PolarHBondContact O-N 3.36Å
278S94.7Very high94.7Very high80 Ų8069.1 Ų69.156%0.55940%0.399SS*.Hα-helixtrans-61.5-36.9177.454.80000113.3P276 L282P276-S278 PolarHBondContact O-N 3.33Å; S278-L282 WeakPolarHBondContact O-CG 3.43Å
279F96.3Very high94.8Very high22 Ų2271.4 Ų71.410%0.09641%0.408CS..Hα-helixtrans-85-34176.7-73.4-80.2000112.1L275 P276 Q277 A281 L282 V283 I323 V341 W343 M344 P345 L349L275-F279 HydrophobicContact CB-CB 4.3Å; P276-F279 HydrophobicContact CB-CD2 4.39Å; P276-F279 HydrophobicContact CG-CD2 4.35Å; P276-F279 PolarHBondContact O-N 3.34Å; Q277-F279 VanDerWaalsContact C-N 3.32Å; Q277-F279 PolarHBondContact O-N 2.9Å; F279-A281 VanDerWaalsContact C-N 3.27Å; F279-A281 PolarHBondContact O-N 3.03Å; F279-L282 HydrophobicContact CD1-CD1 4.03Å; F279-L282 HydrophobicContact CE1-CD1 4.31Å; F279-L282 WeakPolarHBondContact O-CB 3.26Å; F279-L282 PolarHBondContact O-N 3.03Å; F279-V283 PolarHBondContact O-N 3.02Å; F279-I323 HydrophobicContact CE1-CG2 4.17Å; F279-V341 HydrophobicContact CE1-CG1 4.23Å; F279-V341 HydrophobicContact CE1-CG2 4.44Å; F279-V341 HydrophobicContact CZ-CG1 4.37Å; F279-W343 VanDerWaalsContact CZ-O 3.28Å; F279-W343 WeakPolarHBondContact CZ-O 3.33Å; F279-M344 HydrophobicContact CD1-CB 4.49Å; F279-M344 HydrophobicContact CE1-CB 3.61Å; F279-M344 HydrophobicContact CZ-CB 3.76Å; F279-P345 VanDerWaalsContact CD2-CD 3.48Å; F279-P345 HydrophobicContact CD2-CG 4.05Å; F279-P345 VanDerWaalsContact CE2-CD 3.48Å; F279-P345 HydrophobicContact CE2-CG 4.49Å; F279-P345 HydrophobicContact CG-CG 4.2Å; F279-L349 HydrophobicContact CD1-CD1 4.13Å; F279-L349 HydrophobicContact CD1-CD2 4.44Å; F279-L349 HydrophobicContact CE1-CD1 4.43Å
280Q94.9Very high95Very high69 Ų6971.3 Ų71.332%0.32241%0.408SS..Hα-helixtrans-57.1-45.3173.6-169.760.549.600110.6L275 P276 Q277 L282 V283 N284L275-Q280 HydrophobicContact CB-CB 4.5Å; P276-Q280 PolarHBondContact O-N 3.39Å; Q277-Q280 PolarHBondContact O-N 2.81Å; Q280-L282 PolarHBondContact O-N 2.83Å; Q280-V283 WeakPolarHBondContact O-CG2 3.29Å; Q280-V283 PolarHBondContact O-N 3.41Å; Q280-V283 VanDerWaalsContact O-N 3.09Å; Q280-N284 PolarHBondContact NE2-OD1 3.44Å; Q280-N284 PolarHBondContact O-N 3.03Å; Q280-N284 PolarHBondContact O-OD1 3.47Å
281A94.1Very high95.1Very high64 Ų6466.3 Ų66.353%0.52939%0.387SS..Hα-helixtrans-59.2-32.417600000113.6Q277 F279 V283Q277-A281 WeakPolarHBondContact O-CB 3.19Å; Q277-A281 PolarHBondContact O-N 3.36Å; F279-A281 VanDerWaalsContact C-N 3.27Å; F279-A281 PolarHBondContact O-N 3.03Å; A281-V283 VanDerWaalsContact C-N 3.31Å
282L93.4Very high95.2Very high33 Ų3362.3 Ų62.317%0.17336%0.36CS..Hα-helixtrans-74.1-21178.3-64.8175000113.5S278 F279 Q280 I323 K339S278-L282 WeakPolarHBondContact O-CG 3.43Å; F279-L282 HydrophobicContact CD1-CD1 4.03Å; F279-L282 HydrophobicContact CE1-CD1 4.31Å; F279-L282 WeakPolarHBondContact O-CB 3.26Å; F279-L282 PolarHBondContact O-N 3.03Å; Q280-L282 PolarHBondContact O-N 2.83Å; L282-I323 HydrophobicContact CB-CD1 4.29Å; L282-I323 HydrophobicContact CD1-CD1 4.49Å; L282-K339 HydrophobicContact CD1-CG 3.99Å; L282-K339 HydrophobicContact CD2-CB 4.27Å; L282-K339 HydrophobicContact CD2-CD 4.39Å; L282-K339 HydrophobicContact CD2-CG 3.88Å
283V95Very high95.3Very high2 Ų259.4 Ų59.41%0.01234%0.341CS..Hα-helixtrans-111.6-6.1-175.3-55.70000113.3L275 F279 Q280 A281 D285 T286 F291 I323 L349L275-V283 HydrophobicContact CD1-CG2 3.86Å; F279-V283 PolarHBondContact O-N 3.02Å; Q280-V283 WeakPolarHBondContact O-CG2 3.29Å; Q280-V283 PolarHBondContact O-N 3.41Å; Q280-V283 VanDerWaalsContact O-N 3.09Å; A281-V283 VanDerWaalsContact C-N 3.31Å; V283-D285 VanDerWaalsContact C-N 3.31Å; V283-D285 PolarHBondContact O-N 2.96Å; V283-T286 HydrophobicContact CB-CG2 4.48Å; V283-T286 WeakPolarHBondContact O-CB 3.4Å; V283-T286 PolarHBondContact O-N 3.43Å; V283-T286 PolarHBondContact O-OG1 3.24Å; V283-F291 HydrophobicContact CB-CD1 4.07Å; V283-F291 HydrophobicContact CB-CE1 3.75Å; V283-F291 HydrophobicContact CB-CZ 4.42Å; V283-F291 HydrophobicContact CG1-CD1 3.72Å; V283-F291 HydrophobicContact CG1-CD2 4.45Å; V283-F291 HydrophobicContact CG1-CE1 3.39Å; V283-F291 HydrophobicContact CG1-CE2 4.19Å; V283-F291 HydrophobicContact CG1-CG 4.22Å; V283-F291 HydrophobicContact CG1-CZ 3.65Å; V283-I323 HydrophobicContact CG1-CD1 3.87Å; V283-L349 HydrophobicContact CG1-CD2 4.33Å
284N90.4Very high95.4Very high107 Ų10756.7 Ų56.757%0.57232%0.322SS*.THydrogen-bonded Turntrans-60.6-35.4-177.3-81.2-12.7000113.7Q280 T286Q280-N284 PolarHBondContact NE2-OD1 3.44Å; Q280-N284 PolarHBondContact O-N 3.03Å; Q280-N284 PolarHBondContact O-OD1 3.47Å; N284-T286 VanDerWaalsContact C-N 3.34Å
285D89.3Confident95.4Very high101 Ų10150.8 Ų50.854%0.5428%0.284SS..THydrogen-bonded Turntrans-93.313.9-17865.3-18.1000113.3V283 R321V283-D285 VanDerWaalsContact C-N 3.31Å; V283-D285 PolarHBondContact O-N 2.96Å; D285-R321 IonicContact OD1-NH2 2.68Å; D285-R321 IonicContact OD2-CZ 3.25Å; D285-R321 IonicContact OD2-NH2 3.47Å; D285-R321 PolarHBondContact OD2-NH2 3.38Å
286T94.7Very high95.2Very high6 Ų650 Ų504%0.03728%0.28CS..  trans-98.913.3-170.767.20000114.5V283 N284 E288 G290 F291 R321 H354V283-T286 HydrophobicContact CB-CG2 4.48Å; V283-T286 WeakPolarHBondContact O-CB 3.4Å; V283-T286 PolarHBondContact O-N 3.43Å; V283-T286 PolarHBondContact O-OG1 3.24Å; N284-T286 VanDerWaalsContact C-N 3.34Å; T286-E288 VanDerWaalsContact C-N 3.31Å; T286-E288 PolarHBondContact O-N 3.32Å; T286-G290 WeakPolarHBondContact O-CA 3.28Å; T286-G290 PolarHBondContact O-N 3.46Å; T286-F291 HydrophobicContact CG2-CB 4.18Å; T286-F291 HydrophobicContact CG2-CD1 4.24Å; T286-R321 HydrophobicContact CG2-CB 3.73Å; T286-R321 HydrophobicContact CG2-CG 4.26Å; T286-H354 PolarHBondContact OG1-ND1 2.92Å; T286-H354 VanDerWaalsContact OG1-ND1 3.1Å
287A92.4Very high94.7Very high74 Ų7447.2 Ų47.261%0.61226%0.263SS*.THydrogen-bonded Turntrans-61.7-36.8-175.400000113.4
288E94.7Very high93.8Very high159 Ų15941 Ų4174%0.74324%0.242SC*.THydrogen-bonded Turntrans-74.4-60.9-177-173.6177.7176.600112.1T286T286-E288 VanDerWaalsContact C-N 3.31Å; T286-E288 PolarHBondContact O-N 3.32Å
289H96.3Very high92.8Very high82 Ų8238.6 Ų38.638%0.3823%0.23SC..THydrogen-bonded Turntrans-98-17.9-173.5-62.6-46.7000114.2P319 Q320 K356H289-P319 HydrophobicContact CB-CB 4.44Å; H289-Q320 HydrophobicContact CB-CG 4.49Å; H289-Q320 VanDerWaalsContact O-CG 3.32Å; H289-Q320 WeakPolarHBondContact O-CG 3.44Å; H289-Q320 PolarHBondContact O-NE2 3.03Å; H289-K356 VanDerWaalsContact O-CE 3.29Å; H289-K356 WeakPolarHBondContact O-CE 3.16Å; H289-K356 WeakPolarHBondContact O-CG 3.43Å
290G98Very high92Very high2 Ų238.1 Ų38.12%0.02123%0.229CC..  trans75.2-164.8-17100000113.6T286 R321 H354T286-G290 WeakPolarHBondContact O-CA 3.28Å; T286-G290 PolarHBondContact O-N 3.46Å; G290-R321 PolarHBondContact O-N 2.96Å; G290-H354 WeakPolarHBondContact CA-O 3.24Å
291F98.6Very high91.4Very high0 Ų039 Ų390%023%0.232CC..EExtended strand (participates in β ladder)trans-139.9161177.267.7-93.1000113.6V283 T286 V293 R321 I323 L349 H352 H354 T355 K356V283-F291 HydrophobicContact CB-CD1 4.07Å; V283-F291 HydrophobicContact CB-CE1 3.75Å; V283-F291 HydrophobicContact CB-CZ 4.42Å; V283-F291 HydrophobicContact CG1-CD1 3.72Å; V283-F291 HydrophobicContact CG1-CD2 4.45Å; V283-F291 HydrophobicContact CG1-CE1 3.39Å; V283-F291 HydrophobicContact CG1-CE2 4.19Å; V283-F291 HydrophobicContact CG1-CG 4.22Å; V283-F291 HydrophobicContact CG1-CZ 3.65Å; T286-F291 HydrophobicContact CG2-CB 4.18Å; T286-F291 HydrophobicContact CG2-CD1 4.24Å; F291-V293 HydrophobicContact CD2-CG2 4.08Å; F291-V293 HydrophobicContact CE2-CG2 3.75Å; F291-R321 CarbonylContact C-O 3.49Å; F291-R321 WeakPolarHBondContact CA-O 3.38Å; F291-R321 HydrophobicContact CB-CB 3.89Å; F291-R321 HydrophobicContact CB-CG 4.43Å; F291-R321 WeakPolarHBondContact CB-O 3.28Å; F291-I323 HydrophobicContact CD2-CD1 4.18Å; F291-I323 HydrophobicContact CE2-CD1 4.27Å; F291-L349 HydrophobicContact CE2-CB 4.37Å; F291-L349 HydrophobicContact CE2-CD2 4.03Å; F291-L349 HydrophobicContact CZ-CD2 4.08Å; F291-H352 HydrophobicContact CE1-CB 4.18Å; F291-H352 AromaticContact CE1-CG 3.92Å; F291-H352 AromaticContact CE1-ND1 3.42Å; F291-H352 WeakPolarHBondContact CE1-ND1 3.25Å; F291-H352 HydrophobicContact CZ-CB 3.79Å; F291-H352 AromaticContact CZ-CG 4Å; F291-H352 AromaticContact CZ-ND1 3.96Å; F291-H354 HydrophobicContact CD1-CB 3.94Å; F291-H354 HydrophobicContact CE1-CB 3.94Å; F291-H354 PolarHBondContact N-O 2.99Å; F291-T355 HydrophobicContact CE2-CG2 4.46Å; F291-T355 WeakPolarHBondContact CE2-OG1 3.25Å; F291-T355 WeakPolarHBondContact CZ-OG1 3.48Å; F291-K356 PolarHBondContact O-N 3.3Å
292V98.8Very high90.8Very high0 Ų040.7 Ų40.70%023%0.225CC..EExtended strand (participates in β ladder)trans-113.2133.5177177.90000109.3V294 L318 Q320 R321 V322 I323 A357 I420V292-V294 HydrophobicContact CG1-CG2 4.11Å; V292-L318 HydrophobicContact CG2-CD1 4.21Å; V292-Q320 HydrophobicContact CG2-CB 4.02Å; V292-Q320 HydrophobicContact CG2-CG 4.21Å; V292-R321 PolarHBondContact N-O 3.44Å; V292-V322 HydrophobicContact CB-CG2 4.4Å; V292-V322 WeakPolarHBondContact O-CA 3.27Å; V292-I323 PolarHBondContact O-N 2.84Å; V292-A357 HydrophobicContact CG2-CB 4.49Å; V292-I420 HydrophobicContact CG2-CD1 3.82Å
293V98.8Very high90.5Very high0 Ų040.2 Ų40.20%022%0.222CC..EExtended strand (participates in β ladder)trans-95.4134.7172.4-179.50000108.4F291 M344 L349 L350 T355 A357 F358 L359F291-V293 HydrophobicContact CD2-CG2 4.08Å; F291-V293 HydrophobicContact CE2-CG2 3.75Å; V293-M344 HydrophobicContact CG1-CE 4.08Å; V293-M344 HydrophobicContact CG1-SD 3.63Å; V293-L349 HydrophobicContact CG2-CB 3.95Å; V293-L350 HydrophobicContact CB-CD2 4.25Å; V293-L350 HydrophobicContact CG2-CD2 4.32Å; V293-T355 HydrophobicContact CG2-CG2 4.17Å; V293-A357 PolarHBondContact N-O 3.41Å; V293-F358 HydrophobicContact CB-CD2 3.95Å; V293-F358 HydrophobicContact CG1-CD2 3.89Å; V293-F358 HydrophobicContact CG1-CE2 3.96Å; V293-F358 WeakPolarHBondContact O-CA 3.47Å; V293-F358 WeakPolarHBondContact O-CD2 3.5Å; V293-L359 PolarHBondContact O-N 3.45Å
294V98.4Very high90.2Very high0 Ų041 Ų410%023%0.229CC..EExtended strand (participates in β ladder)trans-127.2120.7178.3-173.10000110V292 F296 L315 V322 I323 W324 R325 M344 L359V292-V294 HydrophobicContact CG1-CG2 4.11Å; V294-F296 HydrophobicContact CG1-CD2 4.45Å; V294-F296 HydrophobicContact CG1-CE2 3.97Å; V294-L315 HydrophobicContact CG2-CD1 4.14Å; V294-L315 HydrophobicContact CG2-CD2 4.04Å; V294-V322 HydrophobicContact CG2-CG1 3.55Å; V294-I323 PolarHBondContact N-O 2.54Å; V294-W324 HydrophobicContact CB-CB 3.87Å; V294-W324 HydrophobicContact CB-CG 3.77Å; V294-W324 HydrophobicContact CG1-CB 4.43Å; V294-W324 HydrophobicContact CG1-CD2 4.21Å; V294-W324 HydrophobicContact CG1-CG 3.79Å; V294-W324 HydrophobicContact CG2-CB 4.35Å; V294-W324 WeakPolarHBondContact O-CA 3.45Å; V294-R325 PolarHBondContact O-N 2.97Å; V294-M344 WeakPolarHBondContact O-CE 3.47Å; V294-L359 WeakPolarHBondContact CA-O 3.48Å; V294-L359 HydrophobicContact CB-CB 4.29Å; V294-L359 HydrophobicContact CG1-CB 4.01Å; V294-L359 HydrophobicContact CG1-CD2 3.79Å; V294-L359 HydrophobicContact CG1-CG 3.93Å; V294-L359 HydrophobicContact CG2-CB 4Å; V294-L359 HydrophobicContact CG2-CD2 4.19Å
295S96.6Very high90.2Very high2 Ų244.1 Ų44.11%0.01424%0.24CC..EExtended strand (participates in β ladder)trans-153.6124.4-179.3-177.80000112.5G297 Q346 L359 S360S295-G297 VanDerWaalsContact C-N 3.33Å; S295-G297 PolarHBondContact OG-N 2.86Å; S295-Q346 PolarHBondContact OG-OE1 3.37Å; S295-L359 PolarHBondContact N-O 3.41Å; S295-S360 WeakPolarHBondContact O-CA 3.44Å
296F93.4Very high90.3Very high4 Ų443.5 Ų43.52%0.01824%0.236CC..  trans-96.218175.3-72.1-100.4000112.9V294 V300 L303 L311 H361 V380 L382V294-F296 HydrophobicContact CG1-CD2 4.45Å; V294-F296 HydrophobicContact CG1-CE2 3.97Å; F296-V300 HydrophobicContact CB-CB 4.26Å; F296-V300 HydrophobicContact CB-CG1 4.28Å; F296-V300 VanDerWaalsContact O-CB 3.31Å; F296-V300 WeakPolarHBondContact O-CB 3.31Å; F296-V300 VanDerWaalsContact O-CG2 3.32Å; F296-V300 WeakPolarHBondContact O-CG2 3.25Å; F296-L303 HydrophobicContact CD1-CD2 4.14Å; F296-L303 HydrophobicContact CD2-CD1 4.06Å; F296-L303 HydrophobicContact CE2-CD1 4.42Å; F296-L303 HydrophobicContact CG-CD1 4.3Å; F296-L303 HydrophobicContact CG-CD2 4.25Å; F296-L311 HydrophobicContact CE2-CD1 3.72Å; F296-L311 HydrophobicContact CE2-CD2 4.35Å; F296-L311 HydrophobicContact CZ-CD1 3.77Å; F296-L311 HydrophobicContact CZ-CD2 4.07Å; F296-H361 VanDerWaalsContact C-CG 3.43Å; F296-H361 VanDerWaalsContact C-ND1 3.3Å; F296-H361 HydrophobicContact CB-CB 4.09Å; F296-H361 HydrophobicContact CD1-CB 3.63Å; F296-H361 HydrophobicContact CE1-CB 4.43Å; F296-H361 HydrophobicContact CG-CB 4.19Å; F296-H361 PolarHBondContact O-CD2 2.72Å; F296-H361 PolarHBondContact O-ND1 3.09Å; F296-H361 PolarHBondContact O-NE2 3.27Å; F296-V380 HydrophobicContact CE1-CB 3.9Å; F296-V380 HydrophobicContact CE1-CG1 4.19Å; F296-V380 HydrophobicContact CZ-CB 4.23Å; F296-L382 HydrophobicContact CD1-CD1 3.86Å; F296-L382 HydrophobicContact CD1-CG 4.32Å
297G85.4Confident90.3Very high6 Ų643.2 Ų43.26%0.06223%0.234CC..  trans80.4163.3173.700000114.5S295 G299 V300 R325 H361S295-G297 VanDerWaalsContact C-N 3.33Å; S295-G297 PolarHBondContact OG-N 2.86Å; G297-G299 VanDerWaalsContact C-N 3.28Å; G297-G299 PolarHBondContact O-N 3.46Å; G297-V300 PolarHBondContact O-N 3.35Å; G297-R325 PolarHBondContact O-NH1 2.89Å; G297-H361 VanDerWaalsContact CA-CE1 3.4Å; G297-H361 WeakPolarHBondContact CA-CE1 3.49Å; G297-H361 PolarHBondContact N-CE1 3.11Å
298A76Confident90.4Very high48 Ų4840 Ų4040%0.39721%0.208SC..THydrogen-bonded Turntrans-66.1-30-174.200000113.5V300A298-V300 VanDerWaalsContact C-N 3.35Å
299G72.8Confident90.4Very high30 Ų3036.4 Ų36.431%0.30919%0.191SC..THydrogen-bonded Turntrans-79.9-9.5-177.900000115.1Q90 G297Q90-G299 PolarHBondContact NE2-O 2.91Å; G297-G299 VanDerWaalsContact C-N 3.28Å; G297-G299 PolarHBondContact O-N 3.46Å
300V79.4Confident90.5Very high11 Ų1134.5 Ų34.57%0.06718%0.181CC..  trans-112.196.6179.8-175.20000108.6V93 F296 G297 A298 Y302 L303 L382 F383V93-V300 HydrophobicContact CG1-CG1 4.38Å; F296-V300 HydrophobicContact CB-CB 4.26Å; F296-V300 HydrophobicContact CB-CG1 4.28Å; F296-V300 VanDerWaalsContact O-CB 3.31Å; F296-V300 WeakPolarHBondContact O-CB 3.31Å; F296-V300 VanDerWaalsContact O-CG2 3.32Å; F296-V300 WeakPolarHBondContact O-CG2 3.25Å; G297-V300 PolarHBondContact O-N 3.35Å; A298-V300 VanDerWaalsContact C-N 3.35Å; V300-Y302 WeakPolarHBondContact CG1-O 3.36Å; V300-L303 HydrophobicContact CG1-CD2 4.06Å; V300-L303 HydrophobicContact CG1-CG 4.49Å; V300-L382 HydrophobicContact CB-CD1 4.39Å; V300-L382 HydrophobicContact CG1-CD1 3.7Å; V300-L382 HydrophobicContact CG2-CD1 3.95Å; V300-F383 HydrophobicContact CG2-CE1 3.91Å; V300-F383 HydrophobicContact CG2-CZ 4.18Å
301K82.3Confident90.4Very high89 Ų8934.4 Ų34.439%0.38718%0.18SC..  trans-95.4-31.2173.3-61-179.3-178.3177.50111.3D86 Q90D86-K301 WeakPolarHBondContact OD1-CE 3.47Å; D86-K301 IonicContact OD1-NZ 2.78Å; D86-K301 PolarHBondContact OD1-NZ 3.2Å; D86-K301 WeakPolarHBondContact OD2-CE 3.36Å; D86-K301 IonicContact OD2-NZ 3.33Å; D86-K301 PolarHBondContact OD2-NZ 2.87Å; Q90-K301 HydrophobicContact CG-CB 4.44Å
302Y82Confident90.4Very high99 Ų9934.4 Ų34.439%0.38818%0.18SC..  trans-92.7123.7175.7-178-92.5000111.2F97 V300F97-Y302 HydrophobicContact CB-CE1 4.36Å; F97-Y302 AromaticContact CD2-CD1 3.81Å; F97-Y302 HydrophobicContact CD2-CD1 3.81Å; F97-Y302 HydrophobicContact CD2-CE1 4Å; F97-Y302 HydrophobicContact CE2-CD1 4.3Å; F97-Y302 WeakPolarHBondContact CE2-O 3.38Å; F97-Y302 HydrophobicContact CG-CE1 4.49Å; V300-Y302 WeakPolarHBondContact CG1-O 3.36Å
303L86.9Confident90.4Very high22 Ų2234.8 Ų34.812%0.11518%0.184CC..  trans-116.3138.2159.9-70.9172.7000107.4F97 F296 V300 L311 W324 F326 L382F97-L303 HydrophobicContact CZ-CD2 4.08Å; F296-L303 HydrophobicContact CD1-CD2 4.14Å; F296-L303 HydrophobicContact CD2-CD1 4.06Å; F296-L303 HydrophobicContact CE2-CD1 4.42Å; F296-L303 HydrophobicContact CG-CD1 4.3Å; F296-L303 HydrophobicContact CG-CD2 4.25Å; V300-L303 HydrophobicContact CG1-CD2 4.06Å; V300-L303 HydrophobicContact CG1-CG 4.49Å; L303-L311 HydrophobicContact CD1-CD1 4.19Å; L303-W324 HydrophobicContact CD1-CZ2 4.19Å; L303-F326 HydrophobicContact CD1-CD2 4.21Å; L303-F326 HydrophobicContact CD1-CE2 4.21Å; L303-L382 HydrophobicContact CD2-CD1 4.23Å
304S88.9Confident90.3Very high20 Ų2034.8 Ų34.814%0.1418%0.184CC..  trans-62.7151.1175.569.90000110.6D306 I307 A308S304-D306 VanDerWaalsContact C-N 3.26Å; S304-D306 PolarHBondContact O-N 3.37Å; S304-I307 PolarHBondContact O-N 3.05Å; S304-I307 VanDerWaalsContact OG-CG1 3.22Å; S304-I307 WeakPolarHBondContact OG-CG1 3.49Å; S304-I307 PolarHBondContact OG-N 3.33Å; S304-A308 PolarHBondContact O-N 3.39Å
305Q90.9Very high90.3Very high172 Ų17234.8 Ų34.880%0.80418%0.184SC*.Hα-helixtrans-58.2-40-178.9-72.2-176.9-13.500111.9I307 A308 H309Q305-I307 PolarHBondContact O-N 3.43Å; Q305-A308 PolarHBondContact O-N 3.32Å; Q305-H309 VanDerWaalsContact O-CB 3.24Å; Q305-H309 WeakPolarHBondContact O-CB 3.16Å; Q305-H309 PolarHBondContact O-N 2.95Å
306D91.8Very high90.4Very high87 Ų8736.6 Ų36.647%0.46520%0.2SC..Hα-helixtrans-57.1-49176.217669.6000111.9S304 H309 K310S304-D306 VanDerWaalsContact C-N 3.26Å; S304-D306 PolarHBondContact O-N 3.37Å; D306-H309 PolarHBondContact O-N 3.49Å; D306-K310 WeakPolarHBondContact O-CG 3.47Å; D306-K310 PolarHBondContact O-N 3.4Å; D306-K310 VanDerWaalsContact OD1-CE 3.28Å; D306-K310 WeakPolarHBondContact OD1-CE 3.36Å; D306-K310 IonicContact OD1-NZ 2.67Å; D306-K310 PolarHBondContact OD1-NZ 3.14Å; D306-K310 VanDerWaalsContact OD2-CE 3.25Å; D306-K310 WeakPolarHBondContact OD2-CE 3.15Å; D306-K310 IonicContact OD2-NZ 3Å; D306-K310 PolarHBondContact OD2-NZ 3.01Å
307I93.2Very high90.6Very high0 Ų040.9 Ų40.90%022%0.216CC..Hα-helixtrans-68-43.4-179.9-61.7-63.1000110.9S304 Q305 H309 K310 L311 W404 M407S304-I307 PolarHBondContact O-N 3.05Å; S304-I307 VanDerWaalsContact OG-CG1 3.22Å; S304-I307 WeakPolarHBondContact OG-CG1 3.49Å; S304-I307 PolarHBondContact OG-N 3.33Å; Q305-I307 PolarHBondContact O-N 3.43Å; I307-H309 VanDerWaalsContact C-N 3.29Å; I307-H309 PolarHBondContact O-N 3.1Å; I307-K310 PolarHBondContact O-N 3.12Å; I307-L311 HydrophobicContact CG2-CD1 3.91Å; I307-L311 HydrophobicContact CG2-CG 4.33Å; I307-L311 WeakPolarHBondContact O-CB 3.48Å; I307-L311 WeakPolarHBondContact O-CG 3.36Å; I307-L311 PolarHBondContact O-N 3.44Å; I307-W404 HydrophobicContact CD1-CB 4.16Å; I307-W404 HydrophobicContact CD1-CE3 4.01Å; I307-W404 VanDerWaalsContact CD1-O 3.25Å; I307-W404 WeakPolarHBondContact CD1-O 3.37Å; I307-W404 HydrophobicContact CG1-CE3 4.29Å; I307-M407 HydrophobicContact CD1-CE 3.71Å; I307-M407 HydrophobicContact CG2-CE 3.99Å
308A95Very high91.2Very high6 Ų641 Ų415%0.0522%0.215CC..Hα-helixtrans-62.2-36.9177.100000112.1S304 Q305 A312 F326 P331S304-A308 PolarHBondContact O-N 3.39Å; Q305-A308 PolarHBondContact O-N 3.32Å; A308-A312 VanDerWaalsContact O-CB 3.32Å; A308-A312 WeakPolarHBondContact O-CB 3.38Å; A308-A312 PolarHBondContact O-N 2.95Å; A308-F326 HydrophobicContact CB-CE2 3.99Å; A308-F326 HydrophobicContact CB-CZ 4.3Å; A308-P331 HydrophobicContact CB-CG 4.01Å
309H96Very high92.2Very high85 Ų8542.5 Ų42.539%0.39422%0.221SC..Hα-helixtrans-69.3-45.8177.3-163.286.1000112Q305 D306 I307 L311 A312 G313 N333Q305-H309 VanDerWaalsContact O-CB 3.24Å; Q305-H309 WeakPolarHBondContact O-CB 3.16Å; Q305-H309 PolarHBondContact O-N 2.95Å; D306-H309 PolarHBondContact O-N 3.49Å; I307-H309 VanDerWaalsContact C-N 3.29Å; I307-H309 PolarHBondContact O-N 3.1Å; H309-L311 VanDerWaalsContact C-N 3.34Å; H309-L311 PolarHBondContact O-N 2.98Å; H309-A312 PolarHBondContact O-N 3.49Å; H309-G313 PolarHBondContact O-N 3.25Å; H309-N333 PolarHBondContact CD2-ND2 3.2Å; H309-N333 PolarHBondContact CE1-ND2 3.01Å; H309-N333 PolarHBondContact CE1-OD1 3.08Å; H309-N333 VanDerWaalsContact ND1-CG 3.31Å; H309-N333 PolarHBondContact ND1-OD1 3.06Å; H309-N333 PolarHBondContact NE2-ND2 3.43Å; H309-N333 PolarHBondContact O-ND2 3.09Å
310K96.7Very high93.5Very high41 Ų4141.7 Ų41.718%0.17821%0.209CC..Hα-helixtrans-59.8-43.1173.9-72.6168.2178.7171.40111.9D306 I307 A314 M407D306-K310 WeakPolarHBondContact O-CG 3.47Å; D306-K310 PolarHBondContact O-N 3.4Å; D306-K310 VanDerWaalsContact OD1-CE 3.28Å; D306-K310 WeakPolarHBondContact OD1-CE 3.36Å; D306-K310 IonicContact OD1-NZ 2.67Å; D306-K310 PolarHBondContact OD1-NZ 3.14Å; D306-K310 VanDerWaalsContact OD2-CE 3.25Å; D306-K310 WeakPolarHBondContact OD2-CE 3.15Å; D306-K310 IonicContact OD2-NZ 3Å; D306-K310 PolarHBondContact OD2-NZ 3.01Å; I307-K310 PolarHBondContact O-N 3.12Å; K310-A314 WeakPolarHBondContact O-CB 2.98Å; K310-A314 PolarHBondContact O-N 3.05Å; K310-A314 VanDerWaalsContact O-N 3.14Å; K310-M407 PolarHBondContact NZ-O 3.42Å
311L97.4Very high94.3Very high0 Ų044.6 Ų44.60%022%0.218CC..Hα-helixtrans-59.9-52.2174.7-73.4170.1000110.8F296 L303 I307 H309 G313 A314 L315 W324 L359 L412F296-L311 HydrophobicContact CE2-CD1 3.72Å; F296-L311 HydrophobicContact CE2-CD2 4.35Å; F296-L311 HydrophobicContact CZ-CD1 3.77Å; F296-L311 HydrophobicContact CZ-CD2 4.07Å; L303-L311 HydrophobicContact CD1-CD1 4.19Å; I307-L311 HydrophobicContact CG2-CD1 3.91Å; I307-L311 HydrophobicContact CG2-CG 4.33Å; I307-L311 WeakPolarHBondContact O-CB 3.48Å; I307-L311 WeakPolarHBondContact O-CG 3.36Å; I307-L311 PolarHBondContact O-N 3.44Å; H309-L311 VanDerWaalsContact C-N 3.34Å; H309-L311 PolarHBondContact O-N 2.98Å; L311-G313 PolarHBondContact O-N 3.28Å; L311-A314 PolarHBondContact O-N 3.41Å; L311-L315 HydrophobicContact CB-CD1 4.44Å; L311-L315 VanDerWaalsContact O-CB 3.28Å; L311-L315 WeakPolarHBondContact O-CB 3.26Å; L311-L315 WeakPolarHBondContact O-CD1 3.38Å; L311-L315 WeakPolarHBondContact O-CG 2.98Å; L311-L315 PolarHBondContact O-N 3.21Å; L311-W324 HydrophobicContact CB-CH2 3.54Å; L311-W324 HydrophobicContact CB-CZ2 4.02Å; L311-W324 HydrophobicContact CB-CZ3 4.13Å; L311-W324 HydrophobicContact CD1-CH2 3.98Å; L311-W324 HydrophobicContact CD1-CZ2 3.61Å; L311-W324 HydrophobicContact CG-CH2 4.42Å; L311-W324 HydrophobicContact CG-CZ2 4.46Å; L311-L359 HydrophobicContact CD2-CD2 3.66Å; L311-L412 HydrophobicContact CB-CD2 4.46Å; L311-L412 HydrophobicContact CD2-CD2 3.41Å; L311-L412 VanDerWaalsContact CD2-CD2 3.41Å; L311-L412 HydrophobicContact CG-CD2 4.23Å
312A97.9Very high95.1Very high0 Ų040.3 Ų40.30%020%0.2CC..Hα-helixtrans-59.7-44.1-178.300000112.9A308 H309 L315 A316 W324 P331 N333 L334A308-A312 VanDerWaalsContact O-CB 3.32Å; A308-A312 WeakPolarHBondContact O-CB 3.38Å; A308-A312 PolarHBondContact O-N 2.95Å; H309-A312 PolarHBondContact O-N 3.49Å; A312-L315 PolarHBondContact O-N 3.43Å; A312-A316 VanDerWaalsContact O-CB 3.29Å; A312-A316 WeakPolarHBondContact O-CB 3.3Å; A312-A316 PolarHBondContact O-N 2.95Å; A312-W324 HydrophobicContact CB-CZ3 4.25Å; A312-P331 HydrophobicContact CB-CB 3.64Å; A312-P331 HydrophobicContact CB-CG 4Å; A312-N333 WeakPolarHBondContact CB-OD1 3.35Å; A312-L334 HydrophobicContact CB-CD1 4.41Å
313G97.8Very high95.9Very high8 Ų835.6 Ų35.68%0.08218%0.182CC..Hα-helixtrans-64.7-46.2179.400000112.6H309 L311 L315 A316 R317 N333H309-G313 PolarHBondContact O-N 3.25Å; L311-G313 PolarHBondContact O-N 3.28Å; G313-L315 PolarHBondContact O-N 3.33Å; G313-A316 PolarHBondContact O-N 3.38Å; G313-R317 WeakPolarHBondContact O-CG 3.19Å; G313-N333 PolarHBondContact N-ND2 3.46Å
314A98.4Very high96.4Very high0 Ų034.6 Ų34.60%018%0.176CC..Hα-helixtrans-64.2-42.9177.700000112K310 L311 A316 R317 E409 L412K310-A314 WeakPolarHBondContact O-CB 2.98Å; K310-A314 PolarHBondContact O-N 3.05Å; K310-A314 VanDerWaalsContact O-N 3.14Å; L311-A314 PolarHBondContact O-N 3.41Å; A314-A316 VanDerWaalsContact C-N 3.35Å; A314-R317 PolarHBondContact O-N 2.99Å; A314-E409 HydrophobicContact CB-CG 3.88Å; A314-E409 VanDerWaalsContact N-CG 3.35Å; A314-L412 HydrophobicContact CB-CB 3.95Å; A314-L412 HydrophobicContact CB-CD2 3.65Å; A314-L412 HydrophobicContact CB-CG 3.76Å
315L98.6Very high96.8Very high0 Ų035.5 Ų35.50%018%0.177CC..Hα-helixtrans-66.5-36.2179.3-68.9168.3000111.8V294 L311 A312 G313 R317 L318 V322 W324 N337 L359 L416V294-L315 HydrophobicContact CG2-CD1 4.14Å; V294-L315 HydrophobicContact CG2-CD2 4.04Å; L311-L315 HydrophobicContact CB-CD1 4.44Å; L311-L315 VanDerWaalsContact O-CB 3.28Å; L311-L315 WeakPolarHBondContact O-CB 3.26Å; L311-L315 WeakPolarHBondContact O-CD1 3.38Å; L311-L315 WeakPolarHBondContact O-CG 2.98Å; L311-L315 PolarHBondContact O-N 3.21Å; A312-L315 PolarHBondContact O-N 3.43Å; G313-L315 PolarHBondContact O-N 3.33Å; L315-R317 PolarHBondContact O-N 3.3Å; L315-L318 HydrophobicContact CD2-CD1 4.05Å; L315-L318 WeakPolarHBondContact O-CB 3.44Å; L315-L318 PolarHBondContact O-N 3.06Å; L315-L318 VanDerWaalsContact O-N 3.14Å; L315-V322 HydrophobicContact CB-CG2 4.33Å; L315-V322 HydrophobicContact CD1-CG1 4.13Å; L315-V322 HydrophobicContact CD2-CG1 3.95Å; L315-V322 HydrophobicContact CD2-CG2 4.11Å; L315-V322 HydrophobicContact CG-CG1 4.43Å; L315-W324 HydrophobicContact CD1-CD2 4.32Å; L315-W324 HydrophobicContact CD1-CE3 3.78Å; L315-W324 HydrophobicContact CD1-CZ3 4.05Å; L315-N337 PolarHBondContact O-ND2 3.14Å; L315-L359 HydrophobicContact CD2-CD2 4.24Å; L315-L416 HydrophobicContact CD2-CD1 3.97Å
316A98.2Very high96.9Very high41 Ų4128.2 Ų28.234%0.33914%0.142SC..Hα-helixtrans-62.2-24.9178.100000113.6A312 G313 A314 L318 N337A312-A316 VanDerWaalsContact O-CB 3.29Å; A312-A316 WeakPolarHBondContact O-CB 3.3Å; A312-A316 PolarHBondContact O-N 2.95Å; G313-A316 PolarHBondContact O-N 3.38Å; A314-A316 VanDerWaalsContact C-N 3.35Å; A316-L318 VanDerWaalsContact C-N 3.34Å; A316-N337 WeakPolarHBondContact CA-OD1 3.25Å
317R98.1Very high96.7Very high93 Ų9326 Ų2635%0.35113%0.133SC..THydrogen-bonded Turntrans-82-10.9179.1-65.6164.359.2177.30.4113.6G313 A314 L315 E409 E410 Y413G313-R317 WeakPolarHBondContact O-CG 3.19Å; A314-R317 PolarHBondContact O-N 2.99Å; L315-R317 PolarHBondContact O-N 3.3Å; R317-E409 IonicContact NH1-OE1 3.5Å; R317-E410 IonicContact CZ-OE2 2.71Å; R317-E410 IonicContact NH1-OE2 2.74Å; R317-E410 PolarHBondContact NH1-OE2 3.42Å; R317-E410 IonicContact NH2-OE1 3.5Å; R317-E410 PolarHBondContact NH2-OE1 3.18Å; R317-E410 IonicContact NH2-OE2 3.87Å; R317-E410 PolarHBondContact NH2-OE2 2.72Å; R317-Y413 HydrophobicContact CB-CD2 3.57Å; R317-Y413 HydrophobicContact CB-CE2 3.56Å; R317-Y413 HydrophobicContact CB-CG 4.49Å; R317-Y413 VanDerWaalsContact CZ-CD1 3.49Å; R317-Y413 VanDerWaalsContact NH2-CE1 3.32Å
318L98.1Very high96.4Very high9 Ų929.4 Ų29.45%0.04717%0.169CC..  trans-79.2138.6-179.9-64.4178.1000111.1V292 L315 A316 Q320 V322 N337 Y413 L416 I420V292-L318 HydrophobicContact CG2-CD1 4.21Å; L315-L318 HydrophobicContact CD2-CD1 4.05Å; L315-L318 WeakPolarHBondContact O-CB 3.44Å; L315-L318 PolarHBondContact O-N 3.06Å; L315-L318 VanDerWaalsContact O-N 3.14Å; A316-L318 VanDerWaalsContact C-N 3.34Å; L318-Q320 HydrophobicContact CB-CB 4.5Å; L318-Q320 PolarHBondContact O-N 3.36Å; L318-V322 HydrophobicContact CD1-CG2 4.46Å; L318-N337 PolarHBondContact O-ND2 2.9Å; L318-N337 VanDerWaalsContact O-ND2 3.09Å; L318-Y413 HydrophobicContact CD2-CD2 4.16Å; L318-Y413 HydrophobicContact CD2-CE2 4.11Å; L318-L416 HydrophobicContact CD1-CB 4.42Å; L318-L416 HydrophobicContact CD1-CD1 4.2Å; L318-L416 HydrophobicContact CD2-CB 4.31Å; L318-I420 HydrophobicContact CD2-CD1 4.37Å
319P96.9Very high96.2Very high80 Ų8035.5 Ų35.552%0.51921%0.205SC..SBendtrans-71.2-16.7170.330.1-35000112.5H289H289-P319 HydrophobicContact CB-CB 4.44Å
320Q98.3Very high96Very high13 Ų1334 Ų346%0.06121%0.207CC..SBendtrans-69.2148.8176.1-72.873.330.100112.1H289 V292 L318 N337 K356 I420H289-Q320 HydrophobicContact CB-CG 4.49Å; H289-Q320 VanDerWaalsContact O-CG 3.32Å; H289-Q320 WeakPolarHBondContact O-CG 3.44Å; H289-Q320 PolarHBondContact O-NE2 3.03Å; V292-Q320 HydrophobicContact CG2-CB 4.02Å; V292-Q320 HydrophobicContact CG2-CG 4.21Å; L318-Q320 HydrophobicContact CB-CB 4.5Å; L318-Q320 PolarHBondContact O-N 3.36Å; Q320-N337 PolarHBondContact O-ND2 2.73Å; Q320-K356 HydrophobicContact CG-CG 4.36Å; Q320-I420 HydrophobicContact CG-CD1 4.49Å
321R98.1Very high95.9Very high71 Ų7132.8 Ų32.827%0.26820%0.204SC..EExtended strand (participates in β ladder)trans-63.8142.4158.9-179.972.468.6-174.5-2.1109.1D285 T286 G290 F291 V292 N337D285-R321 IonicContact OD1-NH2 2.68Å; D285-R321 IonicContact OD2-CZ 3.25Å; D285-R321 IonicContact OD2-NH2 3.47Å; D285-R321 PolarHBondContact OD2-NH2 3.38Å; T286-R321 HydrophobicContact CG2-CB 3.73Å; T286-R321 HydrophobicContact CG2-CG 4.26Å; G290-R321 PolarHBondContact O-N 2.96Å; F291-R321 CarbonylContact C-O 3.49Å; F291-R321 WeakPolarHBondContact CA-O 3.38Å; F291-R321 HydrophobicContact CB-CB 3.89Å; F291-R321 HydrophobicContact CB-CG 4.43Å; F291-R321 WeakPolarHBondContact CB-O 3.28Å; V292-R321 PolarHBondContact N-O 3.44Å; R321-N337 WeakPolarHBondContact CD-O 3.2Å
322V98.5Very high95.8Very high0 Ų038.4 Ų38.40%024%0.243CC..EExtended strand (participates in β ladder)trans-120.3128177-178.70000109.6V292 V294 L315 L318 W324 N337 T338 K339V292-V322 HydrophobicContact CB-CG2 4.4Å; V292-V322 WeakPolarHBondContact O-CA 3.27Å; V294-V322 HydrophobicContact CG2-CG1 3.55Å; L315-V322 HydrophobicContact CB-CG2 4.33Å; L315-V322 HydrophobicContact CD1-CG1 4.13Å; L315-V322 HydrophobicContact CD2-CG1 3.95Å; L315-V322 HydrophobicContact CD2-CG2 4.11Å; L315-V322 HydrophobicContact CG-CG1 4.43Å; L318-V322 HydrophobicContact CD1-CG2 4.46Å; V322-W324 HydrophobicContact CG1-CB 4.37Å; V322-N337 PolarHBondContact N-O 3.12Å; V322-T338 HydrophobicContact CB-CG2 4.01Å; V322-T338 HydrophobicContact CG1-CG2 3.9Å; V322-T338 WeakPolarHBondContact O-CA 3.28Å; V322-K339 PolarHBondContact O-N 2.72Å
323I98.4Very high95.8Very high0 Ų040.5 Ų40.50%025%0.254CS..EExtended strand (participates in β ladder)trans-110.5108.7172-55.1174.9000107.2F279 L282 V283 F291 V292 V294 V341 M344 L349F279-I323 HydrophobicContact CE1-CG2 4.17Å; L282-I323 HydrophobicContact CB-CD1 4.29Å; L282-I323 HydrophobicContact CD1-CD1 4.49Å; V283-I323 HydrophobicContact CG1-CD1 3.87Å; F291-I323 HydrophobicContact CD2-CD1 4.18Å; F291-I323 HydrophobicContact CE2-CD1 4.27Å; V292-I323 PolarHBondContact O-N 2.84Å; V294-I323 PolarHBondContact N-O 2.54Å; I323-V341 HydrophobicContact CG2-CG2 4.16Å; I323-M344 HydrophobicContact CG2-CE 4.41Å; I323-M344 HydrophobicContact CG2-SD 4.25Å; I323-L349 HydrophobicContact CD1-CD1 4.31Å; I323-L349 HydrophobicContact CD1-CD2 3.85Å; I323-L349 HydrophobicContact CG2-CD1 4.3Å
324W97.8Very high95.7Very high0 Ų042.6 Ų42.60%026%0.263CS..EExtended strand (participates in β ladder)trans-116.5115.8-172.9-177.88.6000111.1V294 L303 L311 A312 L315 V322 F326 P331 L334 T338 K339 L340 V341V294-W324 HydrophobicContact CB-CB 3.87Å; V294-W324 HydrophobicContact CB-CG 3.77Å; V294-W324 HydrophobicContact CG1-CB 4.43Å; V294-W324 HydrophobicContact CG1-CD2 4.21Å; V294-W324 HydrophobicContact CG1-CG 3.79Å; V294-W324 HydrophobicContact CG2-CB 4.35Å; V294-W324 WeakPolarHBondContact O-CA 3.45Å; L303-W324 HydrophobicContact CD1-CZ2 4.19Å; L311-W324 HydrophobicContact CB-CH2 3.54Å; L311-W324 HydrophobicContact CB-CZ2 4.02Å; L311-W324 HydrophobicContact CB-CZ3 4.13Å; L311-W324 HydrophobicContact CD1-CH2 3.98Å; L311-W324 HydrophobicContact CD1-CZ2 3.61Å; L311-W324 HydrophobicContact CG-CH2 4.42Å; L311-W324 HydrophobicContact CG-CZ2 4.46Å; A312-W324 HydrophobicContact CB-CZ3 4.25Å; L315-W324 HydrophobicContact CD1-CD2 4.32Å; L315-W324 HydrophobicContact CD1-CE3 3.78Å; L315-W324 HydrophobicContact CD1-CZ3 4.05Å; V322-W324 HydrophobicContact CG1-CB 4.37Å; W324-F326 HydrophobicContact CD2-CB 4.31Å; W324-F326 AromaticContact CE2-CD2 3.74Å; W324-F326 HydrophobicContact CG-CB 4.29Å; W324-F326 HydrophobicContact CH2-CD2 4.17Å; W324-F326 HydrophobicContact CH2-CE2 4.4Å; W324-F326 AromaticContact CZ2-CD2 3.51Å; W324-F326 HydrophobicContact CZ2-CD2 3.51Å; W324-F326 HydrophobicContact CZ2-CE2 4.01Å; W324-F326 HydrophobicContact CZ2-CG 4.38Å; W324-F326 AromaticContact NE1-CD2 4Å; W324-F326 PolarHBondContact O-N 3.35Å; W324-P331 HydrophobicContact CH2-CG 4.33Å; W324-P331 HydrophobicContact CZ3-CG 4.41Å; W324-L334 HydrophobicContact CE3-CD1 4.39Å; W324-L334 HydrophobicContact CZ3-CD1 4.35Å; W324-T338 HydrophobicContact CB-CG2 4.22Å; W324-T338 HydrophobicContact CE3-CG2 4.13Å; W324-K339 PolarHBondContact N-O 2.94Å; W324-L340 HydrophobicContact CB-CD2 3.94Å; W324-L340 HydrophobicContact CD2-CD2 3.85Å; W324-L340 HydrophobicContact CE3-CD2 3.61Å; W324-L340 HydrophobicContact CG-CD2 4.03Å; W324-L340 HydrophobicContact CZ3-CD2 4.37Å; W324-L340 WeakPolarHBondContact O-CA 3.26Å; W324-V341 PolarHBondContact O-N 3.2Å
325R95.9Very high95.7Very high40 Ų4043.3 Ų43.315%0.15127%0.27CS..EExtended strand (participates in β ladder)trans-72.7112.1167.2176167.7177.2-94-7.6109.6V294 G297 V341 D342 M344V294-R325 PolarHBondContact O-N 2.97Å; G297-R325 PolarHBondContact O-NH1 2.89Å; R325-V341 VanDerWaalsContact CA-O 3.24Å; R325-V341 WeakPolarHBondContact CA-O 3.26Å; R325-D342 PolarHBondContact NE-O 3.45Å; R325-D342 VanDerWaalsContact NE-O 3.09Å; R325-M344 HydrophobicContact CB-CE 3.3Å
326F93.6Very high95.5Very high19 Ų1951.2 Ų51.28%0.08331%0.312CS..  trans-143141.2-174.8-176.9-96.7000109.8L303 A308 W324 V329 L340 V341L303-F326 HydrophobicContact CD1-CD2 4.21Å; L303-F326 HydrophobicContact CD1-CE2 4.21Å; A308-F326 HydrophobicContact CB-CE2 3.99Å; A308-F326 HydrophobicContact CB-CZ 4.3Å; W324-F326 HydrophobicContact CD2-CB 4.31Å; W324-F326 AromaticContact CE2-CD2 3.74Å; W324-F326 HydrophobicContact CG-CB 4.29Å; W324-F326 HydrophobicContact CH2-CD2 4.17Å; W324-F326 HydrophobicContact CH2-CE2 4.4Å; W324-F326 AromaticContact CZ2-CD2 3.51Å; W324-F326 HydrophobicContact CZ2-CD2 3.51Å; W324-F326 HydrophobicContact CZ2-CE2 4.01Å; W324-F326 HydrophobicContact CZ2-CG 4.38Å; W324-F326 AromaticContact NE1-CD2 4Å; W324-F326 PolarHBondContact O-N 3.35Å; F326-V329 VanDerWaalsContact CE1-O 3.28Å; F326-V329 WeakPolarHBondContact CE1-O 3.26Å; F326-L340 HydrophobicContact CB-CD2 3.94Å; F326-L340 HydrophobicContact CD1-CD1 3.99Å; F326-L340 HydrophobicContact CG-CD2 4.41Å; F326-V341 PolarHBondContact N-O 2.98Å; F326-V341 VanDerWaalsContact N-O 3.07Å
327S87.7Confident95.5Very high40 Ų4050.5 Ų50.528%0.2830%0.303SS..  trans-122.8141.1175-60.80000109.1
328G86.5Confident95.5Very high72 Ų7246.7 Ų46.774%0.74229%0.29SS*.SBendtrans106.1-159.3-179.500000113.3A330G328-A330 PolarHBondContact O-N 3.16Å
329V90.4Very high95.4Very high133 Ų13351.2 Ų51.281%0.80631%0.31SS*.SBendtrans-76.5124.3-175.2-177.40000109.8F326F326-V329 VanDerWaalsContact CE1-O 3.28Å; F326-V329 WeakPolarHBondContact CE1-O 3.26Å
330A93.3Very high95.4Very high54 Ų5449.2 Ų49.245%0.44629%0.294SS..PPolyproline II helixtrans-56135.117800000111.1G328 L340G328-A330 PolarHBondContact O-N 3.16Å; A330-L340 HydrophobicContact CB-CD1 3.68Å
331P94.9Very high95.3Very high16 Ų1649.7 Ų49.710%0.10430%0.298CS..PPolyproline II helixtrans-57.4139.3174.8-25.135.4000111.6A308 A312 W324 N333 L334A308-P331 HydrophobicContact CB-CG 4.01Å; A312-P331 HydrophobicContact CB-CB 3.64Å; A312-P331 HydrophobicContact CB-CG 4Å; W324-P331 HydrophobicContact CH2-CG 4.33Å; W324-P331 HydrophobicContact CZ3-CG 4.41Å; P331-N333 PolarHBondContact O-N 3.11Å; P331-L334 WeakPolarHBondContact O-CB 3.48Å; P331-L334 PolarHBondContact O-N 3.27Å
332S95.1Very high95Very high118 Ų11852.2 Ų52.283%0.82532%0.317SS*.THydrogen-bonded Turntrans-67.1-21.6-178.353.30000114
333N96.6Very high94.7Very high43 Ų4360.3 Ų60.323%0.2335%0.347CS..THydrogen-bonded Turntrans-100.422.6178.466.7-32.3000113H309 A312 G313 P331 G335H309-N333 PolarHBondContact CD2-ND2 3.2Å; H309-N333 PolarHBondContact CE1-ND2 3.01Å; H309-N333 PolarHBondContact CE1-OD1 3.08Å; H309-N333 VanDerWaalsContact ND1-CG 3.31Å; H309-N333 PolarHBondContact ND1-OD1 3.06Å; H309-N333 PolarHBondContact NE2-ND2 3.43Å; H309-N333 PolarHBondContact O-ND2 3.09Å; A312-N333 WeakPolarHBondContact CB-OD1 3.35Å; G313-N333 PolarHBondContact N-ND2 3.46Å; P331-N333 PolarHBondContact O-N 3.11Å; N333-G335 PolarHBondContact O-N 3.31Å
334L97.3Very high94.5Very high53 Ų5360.4 Ų60.428%0.27735%0.348SS..  trans-63.8124.1179-170.475.5000111.5A312 W324 P331 T338 L340A312-L334 HydrophobicContact CB-CD1 4.41Å; W324-L334 HydrophobicContact CE3-CD1 4.39Å; W324-L334 HydrophobicContact CZ3-CD1 4.35Å; P331-L334 WeakPolarHBondContact O-CB 3.48Å; P331-L334 PolarHBondContact O-N 3.27Å; L334-T338 HydrophobicContact CD1-CG2 3.68Å; L334-L340 HydrophobicContact CD1-CD1 4.42Å; L334-L340 HydrophobicContact CD1-CD2 3.95Å; L334-L340 HydrophobicContact CD1-CG 4.24Å; L334-L340 HydrophobicContact CD2-CD1 3.87Å; L334-L340 HydrophobicContact CD2-CD2 4.45Å; L334-L340 HydrophobicContact CD2-CG 3.84Å
335G96.8Very high94.4Very high14 Ų1461.4 Ų61.414%0.14435%0.354CS..  trans-74.5151.717800000114.1N333 N337 T338N333-G335 PolarHBondContact O-N 3.31Å; G335-N337 PolarHBondContact O-N 3.39Å; G335-N337 VanDerWaalsContact O-N 3.16Å; G335-T338 WeakPolarHBondContact O-CB 3.46Å; G335-T338 PolarHBondContact O-N 3.19Å
336N95.9Very high94.5Very high166 Ų16660.1 Ų60.189%0.88835%0.35SS*.THydrogen-bonded Turntrans-62.7-21179.6-68.5-11.2000114T338N336-T338 PolarHBondContact O-N 3.36Å
337N96.8Very high94.7Very high27 Ų2759.7 Ų59.714%0.14435%0.348CS..THydrogen-bonded Turntrans-76-10.217570.2-36.9000112.8L315 A316 L318 Q320 R321 V322 G335L315-N337 PolarHBondContact O-ND2 3.14Å; A316-N337 WeakPolarHBondContact CA-OD1 3.25Å; L318-N337 PolarHBondContact O-ND2 2.9Å; L318-N337 VanDerWaalsContact O-ND2 3.09Å; Q320-N337 PolarHBondContact O-ND2 2.73Å; R321-N337 WeakPolarHBondContact CD-O 3.2Å; V322-N337 PolarHBondContact N-O 3.12Å; G335-N337 PolarHBondContact O-N 3.39Å; G335-N337 VanDerWaalsContact O-N 3.16Å
338T97.8Very high95.2Very high13 Ų1358.7 Ų58.78%0.0834%0.34CS..EExtended strand (participates in β ladder)trans-106.1124.1-172.8-57.10000112.1V322 W324 L334 G335 N336 L340V322-T338 HydrophobicContact CB-CG2 4.01Å; V322-T338 HydrophobicContact CG1-CG2 3.9Å; V322-T338 WeakPolarHBondContact O-CA 3.28Å; W324-T338 HydrophobicContact CB-CG2 4.22Å; W324-T338 HydrophobicContact CE3-CG2 4.13Å; L334-T338 HydrophobicContact CD1-CG2 3.68Å; G335-T338 WeakPolarHBondContact O-CB 3.46Å; G335-T338 PolarHBondContact O-N 3.19Å; N336-T338 PolarHBondContact O-N 3.36Å; T338-L340 HydrophobicContact CG2-CD2 4.25Å
339K97.3Very high95.7Very high104 Ų10455.2 Ų55.245%0.45231%0.305SS..EExtended strand (participates in β ladder)trans-105117.1172.4-175.565.5179.4178.80110.2L282 V322 W324 V341L282-K339 HydrophobicContact CD1-CG 3.99Å; L282-K339 HydrophobicContact CD2-CB 4.27Å; L282-K339 HydrophobicContact CD2-CD 4.39Å; L282-K339 HydrophobicContact CD2-CG 3.88Å; V322-K339 PolarHBondContact O-N 2.72Å; W324-K339 PolarHBondContact N-O 2.94Å; K339-V341 HydrophobicContact CG-CG1 4.15Å
340L96.9Very high96.1Very high38 Ų3849 Ų4920%0.19927%0.266CS..EExtended strand (participates in β ladder)trans-79.7138169.2-55.7-175000110.6W324 F326 A330 L334 T338W324-L340 HydrophobicContact CB-CD2 3.94Å; W324-L340 HydrophobicContact CD2-CD2 3.85Å; W324-L340 HydrophobicContact CE3-CD2 3.61Å; W324-L340 HydrophobicContact CG-CD2 4.03Å; W324-L340 HydrophobicContact CZ3-CD2 4.37Å; W324-L340 WeakPolarHBondContact O-CA 3.26Å; F326-L340 HydrophobicContact CB-CD2 3.94Å; F326-L340 HydrophobicContact CD1-CD1 3.99Å; F326-L340 HydrophobicContact CG-CD2 4.41Å; A330-L340 HydrophobicContact CB-CD1 3.68Å; L334-L340 HydrophobicContact CD1-CD1 4.42Å; L334-L340 HydrophobicContact CD1-CD2 3.95Å; L334-L340 HydrophobicContact CD1-CG 4.24Å; L334-L340 HydrophobicContact CD2-CD1 3.87Å; L334-L340 HydrophobicContact CD2-CD2 4.45Å; L334-L340 HydrophobicContact CD2-CG 3.84Å; T338-L340 HydrophobicContact CG2-CD2 4.25Å
341V95.5Very high96.3Very high22 Ų2247.3 Ų47.313%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-141148.6176.3-62.90000110.4F279 I323 W324 R325 F326 K339 M344F279-V341 HydrophobicContact CE1-CG1 4.23Å; F279-V341 HydrophobicContact CE1-CG2 4.44Å; F279-V341 HydrophobicContact CZ-CG1 4.37Å; I323-V341 HydrophobicContact CG2-CG2 4.16Å; W324-V341 PolarHBondContact O-N 3.2Å; R325-V341 VanDerWaalsContact CA-O 3.24Å; R325-V341 WeakPolarHBondContact CA-O 3.26Å; F326-V341 PolarHBondContact N-O 2.98Å; F326-V341 VanDerWaalsContact N-O 3.07Å; K339-V341 HydrophobicContact CG-CG1 4.15Å; V341-M344 HydrophobicContact CG2-CB 4.1Å; V341-M344 HydrophobicContact CG2-CE 4.5Å
342D91.4Very high96.5Very high124 Ų12448.1 Ų48.166%0.66326%0.257SS*.SBendtrans-76.7-32.5176.2-63.6-46.7000112.2R325R325-D342 PolarHBondContact NE-O 3.45Å; R325-D342 VanDerWaalsContact NE-O 3.09Å
343W92.4Very high96.6Very high171 Ų17147.6 Ų47.665%0.64825%0.251SS*.  trans-149.3153.2178.3-174.9-158.3000110.8F279 Q346F279-W343 VanDerWaalsContact CZ-O 3.28Å; F279-W343 WeakPolarHBondContact CZ-O 3.33Å; W343-Q346 HydrophobicContact CH2-CB 4.46Å; W343-Q346 HydrophobicContact CZ3-CB 4.41Å
344M95.2Very high96.6Very high2 Ų248.3 Ų48.31%0.0125%0.253CS..  trans-149.7148.8-177.563.5165.5109.100111.7F279 V293 V294 I323 R325 V341 Q346 L349F279-M344 HydrophobicContact CD1-CB 4.49Å; F279-M344 HydrophobicContact CE1-CB 3.61Å; F279-M344 HydrophobicContact CZ-CB 3.76Å; V293-M344 HydrophobicContact CG1-CE 4.08Å; V293-M344 HydrophobicContact CG1-SD 3.63Å; V294-M344 WeakPolarHBondContact O-CE 3.47Å; I323-M344 HydrophobicContact CG2-CE 4.41Å; I323-M344 HydrophobicContact CG2-SD 4.25Å; R325-M344 HydrophobicContact CB-CE 3.3Å; V341-M344 HydrophobicContact CG2-CB 4.1Å; V341-M344 HydrophobicContact CG2-CE 4.5Å; M344-Q346 VanDerWaalsContact C-N 3.26Å; M344-Q346 HydrophobicContact CG-CB 4.45Å; M344-Q346 PolarHBondContact O-N 2.73Å; M344-L349 HydrophobicContact CB-CD1 3.78Å; M344-L349 HydrophobicContact CG-CD1 4.1Å; M344-L349 HydrophobicContact SD-CD1 3.56Å; M344-L349 VanDerWaalsContact SD-CD1 3.56Å
345P96.1Very high96.7Very high20 Ų2045.9 Ų45.913%0.1324%0.24CC..  trans-73.477.9173.231.6-35.3000111.2L275 P276 F279 N347 D348 L349L275-P345 HydrophobicContact CD2-CG 3.83Å; P276-P345 HydrophobicContact CG-CG 4.43Å; F279-P345 VanDerWaalsContact CD2-CD 3.48Å; F279-P345 HydrophobicContact CD2-CG 4.05Å; F279-P345 VanDerWaalsContact CE2-CD 3.48Å; F279-P345 HydrophobicContact CE2-CG 4.49Å; F279-P345 HydrophobicContact CG-CG 4.2Å; P345-N347 PolarHBondContact O-N 3.47Å; P345-D348 HydrophobicContact CB-CB 4.14Å; P345-D348 WeakPolarHBondContact CB-OD2 3.46Å; P345-D348 PolarHBondContact O-N 3.03Å; P345-L349 HydrophobicContact CG-CG 4.36Å; P345-L349 PolarHBondContact O-N 3.24Å
346Q97.2Very high96.8Very high13 Ų1348.8 Ų48.86%0.06125%0.249CC..Hα-helixtrans-55.5-50.1-168.2-175.6177.2-79.200113.2S295 W343 M344 D348 L349 L350 S366 E369S295-Q346 PolarHBondContact OG-OE1 3.37Å; W343-Q346 HydrophobicContact CH2-CB 4.46Å; W343-Q346 HydrophobicContact CZ3-CB 4.41Å; M344-Q346 VanDerWaalsContact C-N 3.26Å; M344-Q346 HydrophobicContact CG-CB 4.45Å; M344-Q346 PolarHBondContact O-N 2.73Å; Q346-D348 VanDerWaalsContact C-N 3.26Å; Q346-D348 PolarHBondContact O-N 3.42Å; Q346-L349 PolarHBondContact O-N 3.03Å; Q346-L350 HydrophobicContact CG-CD1 3.88Å; Q346-L350 HydrophobicContact CG-CG 4.34Å; Q346-L350 WeakPolarHBondContact O-CB 3.39Å; Q346-L350 VanDerWaalsContact O-CG 3.27Å; Q346-L350 WeakPolarHBondContact O-CG 3.41Å; Q346-L350 PolarHBondContact O-N 3.24Å; Q346-S366 VanDerWaalsContact NE2-CB 3.33Å; Q346-S366 PolarHBondContact NE2-OG 3.44Å; Q346-E369 PolarHBondContact NE2-OE2 2.94Å
347N97.2Very high96.9Very high10 Ų1040.9 Ų40.95%0.05321%0.206CC..Hα-helixtrans-54.3-44.2176.8175.482.6000111.9K270 P345 L350 G351 E369 H373K270-N347 WeakPolarHBondContact CG-ND2 3.47Å; K270-N347 PolarHBondContact N-OD1 3.31Å; K270-N347 PolarHBondContact O-ND2 2.05Å; K270-N347 PolarHBondContact O-OD1 3.29Å; K270-N347 VanDerWaalsContact O-OD1 3.1Å; P345-N347 PolarHBondContact O-N 3.47Å; N347-L350 PolarHBondContact O-N 3.02Å; N347-G351 PolarHBondContact O-N 3.25Å; N347-E369 HydrophobicContact CB-CG 4.46Å; N347-H373 PolarHBondContact O-CD2 2.91Å; N347-H373 PolarHBondContact O-NE2 2.95Å; N347-H373 VanDerWaalsContact O-NE2 3.11Å; N347-H373 PolarHBondContact OD1-NE2 3.07Å
348D98Very high97Very high19 Ų1939.6 Ų39.610%0.10220%0.199CC..Hα-helixtrans-75.3-37.1-174-51.6-42.5000111.3P272 S273 L275 P345 Q346 G351 H352P272-D348 WeakPolarHBondContact CA-OD1 3.33Å; P272-D348 HydrophobicContact CB-CB 4.47Å; S273-D348 PolarHBondContact N-OD1 2.8Å; L275-D348 HydrophobicContact CD2-CB 3.75Å; P345-D348 HydrophobicContact CB-CB 4.14Å; P345-D348 WeakPolarHBondContact CB-OD2 3.46Å; P345-D348 PolarHBondContact O-N 3.03Å; Q346-D348 VanDerWaalsContact C-N 3.26Å; Q346-D348 PolarHBondContact O-N 3.42Å; D348-G351 CarbonylContact O-C 3.43Å; D348-G351 PolarHBondContact O-N 3.05Å; D348-H352 PolarHBondContact O-N 2.83Å; D348-H352 VanDerWaalsContact O-N 3.12Å
349L98.4Very high97.1Very high0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-63-44.4170.4-73.7171.2000111.2L275 F279 V283 F291 V293 I323 M344 P345 Q346 G351 H352 T355L275-L349 HydrophobicContact CD1-CD2 3.95Å; L275-L349 HydrophobicContact CD2-CD2 3.88Å; L275-L349 HydrophobicContact CD2-CG 4.04Å; F279-L349 HydrophobicContact CD1-CD1 4.13Å; F279-L349 HydrophobicContact CD1-CD2 4.44Å; F279-L349 HydrophobicContact CE1-CD1 4.43Å; V283-L349 HydrophobicContact CG1-CD2 4.33Å; F291-L349 HydrophobicContact CE2-CB 4.37Å; F291-L349 HydrophobicContact CE2-CD2 4.03Å; F291-L349 HydrophobicContact CZ-CD2 4.08Å; V293-L349 HydrophobicContact CG2-CB 3.95Å; I323-L349 HydrophobicContact CD1-CD1 4.31Å; I323-L349 HydrophobicContact CD1-CD2 3.85Å; I323-L349 HydrophobicContact CG2-CD1 4.3Å; M344-L349 HydrophobicContact CB-CD1 3.78Å; M344-L349 HydrophobicContact CG-CD1 4.1Å; M344-L349 HydrophobicContact SD-CD1 3.56Å; M344-L349 VanDerWaalsContact SD-CD1 3.56Å; P345-L349 HydrophobicContact CG-CG 4.36Å; P345-L349 PolarHBondContact O-N 3.24Å; Q346-L349 PolarHBondContact O-N 3.03Å; L349-G351 VanDerWaalsContact C-N 3.27Å; L349-G351 PolarHBondContact O-N 3.23Å; L349-H352 VanDerWaalsContact O-CB 3.28Å; L349-H352 WeakPolarHBondContact O-CB 3.37Å; L349-H352 PolarHBondContact O-N 3.31Å; L349-H352 VanDerWaalsContact O-N 3.1Å; L349-T355 PolarHBondContact O-OG1 3.16Å
350L98.6Very high97.1Very high1 Ų134 Ų341%0.00517%0.174CC..Hα-helixtrans-63.4-35176.3-69.8173.1000112V293 Q346 N347 H352 T355 F358 E369 A370 H373 V375V293-L350 HydrophobicContact CB-CD2 4.25Å; V293-L350 HydrophobicContact CG2-CD2 4.32Å; Q346-L350 HydrophobicContact CG-CD1 3.88Å; Q346-L350 HydrophobicContact CG-CG 4.34Å; Q346-L350 WeakPolarHBondContact O-CB 3.39Å; Q346-L350 VanDerWaalsContact O-CG 3.27Å; Q346-L350 WeakPolarHBondContact O-CG 3.41Å; Q346-L350 PolarHBondContact O-N 3.24Å; N347-L350 PolarHBondContact O-N 3.02Å; L350-H352 VanDerWaalsContact C-N 3.27Å; L350-H352 PolarHBondContact O-N 2.8Å; L350-T355 HydrophobicContact CD2-CG2 4.33Å; L350-F358 HydrophobicContact CD2-CB 3.78Å; L350-F358 HydrophobicContact CD2-CD1 4.37Å; L350-F358 HydrophobicContact CD2-CD2 4.07Å; L350-F358 HydrophobicContact CD2-CG 3.84Å; L350-E369 HydrophobicContact CD1-CB 3.78Å; L350-A370 HydrophobicContact CD1-CB 4.37Å; L350-H373 HydrophobicContact CB-CB 4.35Å; L350-H373 WeakPolarHBondContact O-CB 3.41Å; L350-V375 HydrophobicContact CD2-CB 4.42Å; L350-V375 HydrophobicContact CD2-CG1 4.15Å; L350-V375 HydrophobicContact CD2-CG2 4.48Å; L350-V375 VanDerWaalsContact O-CG2 3.24Å; L350-V375 WeakPolarHBondContact O-CG2 3.47Å
351G98Very high97Very high19 Ų1932.9 Ų32.920%0.19617%0.167CC..THydrogen-bonded Turntrans-77.1-5174.700000115.2N347 D348 L349 H373N347-G351 PolarHBondContact O-N 3.25Å; D348-G351 CarbonylContact O-C 3.43Å; D348-G351 PolarHBondContact O-N 3.05Å; L349-G351 VanDerWaalsContact C-N 3.27Å; L349-G351 PolarHBondContact O-N 3.23Å; G351-H373 VanDerWaalsContact CA-CG 3.4Å; G351-H373 VanDerWaalsContact CA-ND1 3.29Å; G351-H373 WeakPolarHBondContact CA-ND1 3.17Å
352H98.1Very high97Very high34 Ų3431.8 Ų31.816%0.15716%0.161CC..SBendtrans-72.1137.2178.3-168.7-86.5000111.5F291 D348 L349 L350 H354 T355F291-H352 HydrophobicContact CE1-CB 4.18Å; F291-H352 AromaticContact CE1-CG 3.92Å; F291-H352 AromaticContact CE1-ND1 3.42Å; F291-H352 WeakPolarHBondContact CE1-ND1 3.25Å; F291-H352 HydrophobicContact CZ-CB 3.79Å; F291-H352 AromaticContact CZ-CG 4Å; F291-H352 AromaticContact CZ-ND1 3.96Å; D348-H352 PolarHBondContact O-N 2.83Å; D348-H352 VanDerWaalsContact O-N 3.12Å; L349-H352 VanDerWaalsContact O-CB 3.28Å; L349-H352 WeakPolarHBondContact O-CB 3.37Å; L349-H352 PolarHBondContact O-N 3.31Å; L349-H352 VanDerWaalsContact O-N 3.1Å; L350-H352 VanDerWaalsContact C-N 3.27Å; L350-H352 PolarHBondContact O-N 2.8Å; H352-H354 AromaticContact CE1-CG 3.62Å; H352-H354 AromaticContact CE1-ND1 3.72Å; H352-H354 AromaticContact ND1-CG 3.86Å; H352-H354 PolarHBondContact ND1-N 3.26Å; H352-H354 VanDerWaalsContact ND1-N 3.19Å; H352-H354 PolarHBondContact O-N 2.91Å; H352-H354 VanDerWaalsContact O-N 3.1Å; H352-T355 WeakPolarHBondContact O-CB 3.31Å; H352-T355 PolarHBondContact O-N 2.92Å; H352-T355 VanDerWaalsContact O-N 3.09Å; H352-T355 PolarHBondContact O-OG1 3.17Å
353P96.4Very high97.1Very high106 Ų10626.3 Ų26.369%0.68813%0.133SC*.THydrogen-bonded Turntrans-58.3-28.8-175.8-27.635.2000115.3
354H98Very high97.1Very high59 Ų5918.5 Ų18.527%0.27310%0.104SC..THydrogen-bonded Turntrans-85-4-177.8-60.1178.4000114.2T286 G290 F291 H352 K356T286-H354 PolarHBondContact OG1-ND1 2.92Å; T286-H354 VanDerWaalsContact OG1-ND1 3.1Å; G290-H354 WeakPolarHBondContact CA-O 3.24Å; F291-H354 HydrophobicContact CD1-CB 3.94Å; F291-H354 HydrophobicContact CE1-CB 3.94Å; F291-H354 PolarHBondContact N-O 2.99Å; H352-H354 AromaticContact CE1-CG 3.62Å; H352-H354 AromaticContact CE1-ND1 3.72Å; H352-H354 AromaticContact ND1-CG 3.86Å; H352-H354 PolarHBondContact ND1-N 3.26Å; H352-H354 VanDerWaalsContact ND1-N 3.19Å; H352-H354 PolarHBondContact O-N 2.91Å; H352-H354 VanDerWaalsContact O-N 3.1Å; H354-K356 PolarHBondContact O-N 3.41Å
355T98.7Very high97Very high1 Ų119.6 Ų19.61%0.00611%0.11CC..EExtended strand (participates in β ladder)trans-70.7119.8179.9-59.90000110.8F291 V293 L349 L350 H352 V375 R426F291-T355 HydrophobicContact CE2-CG2 4.46Å; F291-T355 WeakPolarHBondContact CE2-OG1 3.25Å; F291-T355 WeakPolarHBondContact CZ-OG1 3.48Å; V293-T355 HydrophobicContact CG2-CG2 4.17Å; L349-T355 PolarHBondContact O-OG1 3.16Å; L350-T355 HydrophobicContact CD2-CG2 4.33Å; H352-T355 WeakPolarHBondContact O-CB 3.31Å; H352-T355 PolarHBondContact O-N 2.92Å; H352-T355 VanDerWaalsContact O-N 3.09Å; H352-T355 PolarHBondContact O-OG1 3.17Å; T355-V375 HydrophobicContact CG2-CG1 3.92Å; T355-V375 HydrophobicContact CG2-CG2 4.1Å; T355-R426 PolarHBondContact O-NH1 3.48Å
356K98.6Very high97Very high76 Ų7619.2 Ų19.233%0.3311%0.108SC..EExtended strand (participates in β ladder)trans-93.3-45.2-175.7-59.8-58.1-177.1174.10112.7H289 F291 Q320 H354 P376 I420H289-K356 VanDerWaalsContact O-CE 3.29Å; H289-K356 WeakPolarHBondContact O-CE 3.16Å; H289-K356 WeakPolarHBondContact O-CG 3.43Å; F291-K356 PolarHBondContact O-N 3.3Å; Q320-K356 HydrophobicContact CG-CG 4.36Å; H354-K356 PolarHBondContact O-N 3.41Å; K356-P376 WeakPolarHBondContact O-CD 3.34Å; K356-P376 WeakPolarHBondContact O-CG 3.49Å; K356-I420 HydrophobicContact CB-CG1 4.13Å; K356-I420 HydrophobicContact CB-CG2 4.22Å
357A98.8Very high97Very high0 Ų018.6 Ų18.60%011%0.106CC..EExtended strand (participates in β ladder)trans-150.4160.4-177.500000111.5V292 V293 P376 V419 I420V292-A357 HydrophobicContact CG2-CB 4.49Å; V293-A357 PolarHBondContact N-O 3.41Å; A357-P376 WeakPolarHBondContact CA-O 3.25Å; A357-V419 HydrophobicContact CB-CG1 4.02Å; A357-I420 HydrophobicContact CB-CD1 4.41Å; A357-I420 HydrophobicContact CB-CG1 3.79Å
358F98.9Very high97Very high0 Ų018.2 Ų18.20%010%0.103CC..EExtended strand (participates in β ladder)trans-118.9122.5172-179.5-141.4000110.3V293 L350 S360 A370 V375 P376 V377 V378V293-F358 HydrophobicContact CB-CD2 3.95Å; V293-F358 HydrophobicContact CG1-CD2 3.89Å; V293-F358 HydrophobicContact CG1-CE2 3.96Å; V293-F358 WeakPolarHBondContact O-CA 3.47Å; V293-F358 WeakPolarHBondContact O-CD2 3.5Å; L350-F358 HydrophobicContact CD2-CB 3.78Å; L350-F358 HydrophobicContact CD2-CD1 4.37Å; L350-F358 HydrophobicContact CD2-CD2 4.07Å; L350-F358 HydrophobicContact CD2-CG 3.84Å; F358-S360 VanDerWaalsContact CE1-CB 3.4Å; F358-S360 WeakPolarHBondContact CE1-OG 3.29Å; F358-S360 WeakPolarHBondContact CZ-OG 3.42Å; F358-A370 HydrophobicContact CD1-CB 3.8Å; F358-V375 HydrophobicContact CB-CG1 4.07Å; F358-P376 PolarHBondContact N-O 3.14Å; F358-V377 HydrophobicContact CB-CG2 4.4Å; F358-V377 HydrophobicContact CD1-CG2 4.28Å; F358-V377 CarbonylContact O-C 3.47Å; F358-V377 VanDerWaalsContact O-CA 3.3Å; F358-V377 WeakPolarHBondContact O-CA 3.47Å; F358-V378 PolarHBondContact O-N 3.38Å
359L98.7Very high97Very high0 Ų018.4 Ų18.40%010%0.103CC..EExtended strand (participates in β ladder)trans-95.8117170.417956.3000109.1V293 V294 S295 L311 L315 V378 V380 L412 L416V293-L359 PolarHBondContact O-N 3.45Å; V294-L359 WeakPolarHBondContact CA-O 3.48Å; V294-L359 HydrophobicContact CB-CB 4.29Å; V294-L359 HydrophobicContact CG1-CB 4.01Å; V294-L359 HydrophobicContact CG1-CD2 3.79Å; V294-L359 HydrophobicContact CG1-CG 3.93Å; V294-L359 HydrophobicContact CG2-CB 4Å; V294-L359 HydrophobicContact CG2-CD2 4.19Å; S295-L359 PolarHBondContact N-O 3.41Å; L311-L359 HydrophobicContact CD2-CD2 3.66Å; L315-L359 HydrophobicContact CD2-CD2 4.24Å; L359-V378 VanDerWaalsContact CA-O 3.32Å; L359-V378 WeakPolarHBondContact CA-O 3.4Å; L359-V378 HydrophobicContact CD1-CB 4.01Å; L359-V378 HydrophobicContact CD1-CG1 3.84Å; L359-V378 WeakPolarHBondContact CD1-O 3.42Å; L359-V380 HydrophobicContact CD1-CG2 3.96Å; L359-L412 HydrophobicContact CD1-CD1 4.03Å; L359-L412 HydrophobicContact CD2-CD1 4.31Å; L359-L416 HydrophobicContact CB-CD2 4.37Å; L359-L416 HydrophobicContact CD2-CD1 4.35Å
360S97.7Very high97Very high0 Ų018.4 Ų18.40%010%0.103CC..EExtended strand (participates in β ladder)trans-135.6151.9-169.6-164.70000113.5S295 F358 G362 V378 G379 V380S295-S360 WeakPolarHBondContact O-CA 3.44Å; F358-S360 VanDerWaalsContact CE1-CB 3.4Å; F358-S360 WeakPolarHBondContact CE1-OG 3.29Å; F358-S360 WeakPolarHBondContact CZ-OG 3.42Å; S360-G362 PolarHBondContact O-N 2.92Å; S360-G362 PolarHBondContact OG-N 2.88Å; S360-V378 PolarHBondContact N-O 2.84Å; S360-G379 CarbonylContact O-C 3.53Å; S360-G379 VanDerWaalsContact O-CA 3.23Å; S360-G379 WeakPolarHBondContact O-CA 3.01Å; S360-V380 PolarHBondContact O-N 2.97Å
361H95.2Very high97Very high13 Ų1318.3 Ų18.36%0.0610%0.103CC..  trans-66.3-7.5161.169.4-45.2000114.5F296 G297 G363 V380 P381 L382 H386F296-H361 VanDerWaalsContact C-CG 3.43Å; F296-H361 VanDerWaalsContact C-ND1 3.3Å; F296-H361 HydrophobicContact CB-CB 4.09Å; F296-H361 HydrophobicContact CD1-CB 3.63Å; F296-H361 HydrophobicContact CE1-CB 4.43Å; F296-H361 HydrophobicContact CG-CB 4.19Å; F296-H361 PolarHBondContact O-CD2 2.72Å; F296-H361 PolarHBondContact O-ND1 3.09Å; F296-H361 PolarHBondContact O-NE2 3.27Å; G297-H361 VanDerWaalsContact CA-CE1 3.4Å; G297-H361 WeakPolarHBondContact CA-CE1 3.49Å; G297-H361 PolarHBondContact N-CE1 3.11Å; H361-G363 PolarHBondContact CE1-N 3.13Å; H361-V380 WeakPolarHBondContact CA-O 3.27Å; H361-P381 VanDerWaalsContact O-CA 3.32Å; H361-P381 WeakPolarHBondContact O-CA 3.46Å; H361-L382 HydrophobicContact CB-CD1 4.33Å; H361-L382 HydrophobicContact CB-CG 4.33Å; H361-H386 AromaticContact CD2-CE1 3.27Å; H361-H386 PolarHBondContact CD2-CE1 2.93Å; H361-H386 AromaticContact CD2-ND1 3.7Å; H361-H386 AromaticContact CD2-NE2 3.44Å; H361-H386 PolarHBondContact CD2-NE2 3.34Å; H361-H386 AromaticContact NE2-NE2 3.81Å; H361-H386 WeakPolarHBondContact O-CB 3.37Å
362G94.9Very high97Very high0 Ų019 Ų190%010%0.1CC..  trans85.414.1-179.600000115.5S360 L364 T389S360-G362 PolarHBondContact O-N 2.92Å; S360-G362 PolarHBondContact OG-N 2.88Å; G362-L364 PolarHBondContact O-N 3.11Å; G362-T389 VanDerWaalsContact O-CB 3.25Å; G362-T389 WeakPolarHBondContact O-CB 3.35Å; G362-T389 WeakPolarHBondContact O-CG2 3.36Å; G362-T389 PolarHBondContact O-OG1 3.49Å
363G93.5Very high97Very high8 Ų818.5 Ų18.58%0.08210%0.098CC..  trans-59.8132.917400000112.3H361 N365 S366 I367H361-G363 PolarHBondContact CE1-N 3.13Å; G363-N365 PolarHBondContact O-N 3.31Å; G363-S366 PolarHBondContact O-N 3.34Å; G363-I367 PolarHBondContact O-N 2.99Å
364L93Very high97.1Very high7 Ų713.5 Ų13.54%0.0377%0.065CC..Hα-helixtrans-50-49.6-168.8-17460.2000114.1L165 C246 G362 S366 I367 Y368 T389L165-L364 HydrophobicContact CB-CD1 4.02Å; L165-L364 HydrophobicContact CB-CD2 4.1Å; L165-L364 HydrophobicContact CD1-CD1 3.7Å; L165-L364 HydrophobicContact CG-CD1 4.38Å; C246-L364 WeakPolarHBondContact O-CD2 3.28Å; G362-L364 PolarHBondContact O-N 3.11Å; L364-S366 VanDerWaalsContact C-N 3.34Å; L364-S366 PolarHBondContact O-N 2.95Å; L364-I367 PolarHBondContact O-N 3.22Å; L364-Y368 HydrophobicContact CD1-CD2 3.96Å; L364-Y368 HydrophobicContact CD1-CE2 3.39Å; L364-Y368 HydrophobicContact CD2-CE2 4.27Å; L364-Y368 HydrophobicContact CG-CD2 3.89Å; L364-Y368 HydrophobicContact CG-CE2 3.61Å; L364-Y368 VanDerWaalsContact O-CD2 3.24Å; L364-Y368 WeakPolarHBondContact O-CD2 3.26Å; L364-Y368 PolarHBondContact O-N 2.92Å; L364-T389 HydrophobicContact CD1-CG2 4.28Å
365N93.6Very high97.1Very high25 Ų2510.7 Ų10.713%0.1345%0.052CC..Hα-helixtrans-61.3-41.8179.9-68-47.1000112.5L268 G363 I367 Y368 E369L268-N365 HydrophobicContact CD1-CB 4.09Å; G363-N365 PolarHBondContact O-N 3.31Å; N365-I367 VanDerWaalsContact C-N 3.32Å; N365-I367 PolarHBondContact O-N 3.46Å; N365-Y368 PolarHBondContact O-N 3.19Å; N365-E369 WeakPolarHBondContact O-CG 3.41Å; N365-E369 PolarHBondContact O-N 3.08Å
366S95.6Very high97.1Very high13 Ų1310.7 Ų10.79%0.0915%0.052CC..Hα-helixtrans-69.4-33.4-180-56.50000111.8Q346 G363 L364 E369 A370Q346-S366 VanDerWaalsContact NE2-CB 3.33Å; Q346-S366 PolarHBondContact NE2-OG 3.44Å; G363-S366 PolarHBondContact O-N 3.34Å; L364-S366 VanDerWaalsContact C-N 3.34Å; L364-S366 PolarHBondContact O-N 2.95Å; S366-E369 PolarHBondContact O-N 3.29Å; S366-A370 PolarHBondContact O-N 3.5Å
367I97.3Very high97.1Very high0 Ų07 Ų70%04%0.037CC..Hα-helixtrans-69-38.6173.1-63.9-55.7000111.2L251 G363 L364 N365 A370 M371 V377 T389 M390 V393 M398L251-I367 HydrophobicContact CD2-CG2 3.85Å; G363-I367 PolarHBondContact O-N 2.99Å; L364-I367 PolarHBondContact O-N 3.22Å; N365-I367 VanDerWaalsContact C-N 3.32Å; N365-I367 PolarHBondContact O-N 3.46Å; I367-A370 PolarHBondContact O-N 2.66Å; I367-M371 WeakPolarHBondContact O-CB 3.4Å; I367-M371 PolarHBondContact O-N 3.28Å; I367-V377 HydrophobicContact CD1-CB 4.45Å; I367-V377 HydrophobicContact CD1-CG1 3.77Å; I367-V377 HydrophobicContact CD1-CG2 4.1Å; I367-T389 HydrophobicContact CB-CG2 3.9Å; I367-T389 HydrophobicContact CG1-CG2 3.67Å; I367-T389 HydrophobicContact CG2-CG2 3.95Å; I367-M390 HydrophobicContact CD1-SD 3.93Å; I367-V393 HydrophobicContact CD1-CG2 4.32Å; I367-V393 HydrophobicContact CG1-CG2 4.47Å; I367-V393 HydrophobicContact CG2-CG2 3.53Å; I367-M398 HydrophobicContact CG2-CE 4.02Å
368Y97.1Very high97.1Very high2 Ų27 Ų71%0.0084%0.037CC..Hα-helixtrans-62.1-42171.7-84.7-63.2000112.8C246 T247 D248 L364 N365 M371 Y372 H436C246-Y368 WeakPolarHBondContact O-CE2 2.9Å; T247-Y368 WeakPolarHBondContact CA-OH 3.3Å; D248-Y368 HydrophobicContact CB-CE1 3.76Å; D248-Y368 PolarHBondContact N-OH 2.92Å; D248-Y368 VanDerWaalsContact OD2-CE1 3.28Å; D248-Y368 WeakPolarHBondContact OD2-CE1 3.23Å; D248-Y368 PolarHBondContact OD2-OH 3.15Å; L364-Y368 HydrophobicContact CD1-CD2 3.96Å; L364-Y368 HydrophobicContact CD1-CE2 3.39Å; L364-Y368 HydrophobicContact CD2-CE2 4.27Å; L364-Y368 HydrophobicContact CG-CD2 3.89Å; L364-Y368 HydrophobicContact CG-CE2 3.61Å; L364-Y368 VanDerWaalsContact O-CD2 3.24Å; L364-Y368 WeakPolarHBondContact O-CD2 3.26Å; L364-Y368 PolarHBondContact O-N 2.92Å; N365-Y368 PolarHBondContact O-N 3.19Å; Y368-M371 HydrophobicContact CD1-CE 3.52Å; Y368-M371 HydrophobicContact CE1-CE 3.5Å; Y368-M371 PolarHBondContact O-N 2.8Å; Y368-Y372 WeakPolarHBondContact O-CB 3.47Å; Y368-Y372 PolarHBondContact O-N 3.5Å; Y368-H436 AromaticContact CD1-CE1 3.61Å; Y368-H436 AromaticContact CE1-CE1 3.8Å
369E97.8Very high97.1Very high22 Ų227 Ų710%0.1034%0.037CC..Hα-helixtrans-61.7-44.9174.9-70.1168.2-176.900111.5T269 Q346 N347 L350 N365 S366 Y372 H373T269-E369 HydrophobicContact CG2-CG 4.44Å; Q346-E369 PolarHBondContact NE2-OE2 2.94Å; N347-E369 HydrophobicContact CB-CG 4.46Å; L350-E369 HydrophobicContact CD1-CB 3.78Å; N365-E369 WeakPolarHBondContact O-CG 3.41Å; N365-E369 PolarHBondContact O-N 3.08Å; S366-E369 PolarHBondContact O-N 3.29Å; E369-Y372 PolarHBondContact O-N 3.23Å; E369-H373 PolarHBondContact O-CD2 3.31Å; E369-H373 PolarHBondContact O-N 3.38Å
370A98.4Very high97Very high0 Ų07 Ų70%04%0.037CC..Hα-helixtrans-62.8-46.3177.600000111.9L350 F358 S366 I367 H373 G374 V375 V377L350-A370 HydrophobicContact CD1-CB 4.37Å; F358-A370 HydrophobicContact CD1-CB 3.8Å; S366-A370 PolarHBondContact O-N 3.5Å; I367-A370 PolarHBondContact O-N 2.66Å; A370-H373 CarbonylContact O-C 3.56Å; A370-H373 PolarHBondContact O-N 3.47Å; A370-G374 PolarHBondContact O-N 2.98Å; A370-V375 PolarHBondContact O-N 2.95Å; A370-V377 HydrophobicContact CB-CG2 3.75Å
371M98.2Very high96.8Very high0 Ų07 Ų70%04%0.037CC..Hα-helixtrans-63.4-43.7175.6-176.7170.469.700111.6D248 A250 L251 I367 Y368 H373 G374 M398 L432 S433 H436D248-M371 VanDerWaalsContact OD2-CE 3.28Å; D248-M371 WeakPolarHBondContact OD2-CE 3.41Å; A250-M371 HydrophobicContact CB-CE 4.41Å; A250-M371 HydrophobicContact CB-SD 4.2Å; L251-M371 HydrophobicContact CB-CE 4.17Å; L251-M371 HydrophobicContact CB-SD 4.08Å; I367-M371 WeakPolarHBondContact O-CB 3.4Å; I367-M371 PolarHBondContact O-N 3.28Å; Y368-M371 HydrophobicContact CD1-CE 3.52Å; Y368-M371 HydrophobicContact CE1-CE 3.5Å; Y368-M371 PolarHBondContact O-N 2.8Å; M371-H373 VanDerWaalsContact C-N 3.26Å; M371-H373 PolarHBondContact O-N 2.9Å; M371-G374 PolarHBondContact O-N 2.94Å; M371-M398 HydrophobicContact CB-CE 4.13Å; M371-M398 HydrophobicContact CB-SD 3.84Å; M371-M398 HydrophobicContact CG-SD 4.01Å; M371-L432 HydrophobicContact CG-CB 3.8Å; M371-L432 HydrophobicContact SD-CB 3.85Å; M371-L432 HydrophobicContact SD-CD1 4.36Å; M371-S433 WeakPolarHBondContact O-CA 3.32Å; M371-S433 WeakPolarHBondContact O-CB 3.31Å; M371-S433 PolarHBondContact O-OG 2.96Å; M371-H436 HydrophobicContact CE-CB 4.01Å
372Y98.1Very high96.5Very high32 Ų326.5 Ų6.513%0.1253%0.034CC..Hα-helixtrans-57.5-40.3176.7-178.7-83.6000111.1T269 K270 P271 Y368 E369 G374 S433 K437T269-Y372 HydrophobicContact CG2-CD2 4.25Å; T269-Y372 HydrophobicContact CG2-CG 4.19Å; T269-Y372 WeakPolarHBondContact OG1-CD2 3.23Å; K270-Y372 WeakPolarHBondContact O-CE1 3.4Å; P271-Y372 WeakPolarHBondContact CD-OH 3.48Å; Y368-Y372 WeakPolarHBondContact O-CB 3.47Å; Y368-Y372 PolarHBondContact O-N 3.5Å; E369-Y372 PolarHBondContact O-N 3.23Å; Y372-G374 VanDerWaalsContact C-N 3.33Å; Y372-S433 PolarHBondContact O-OG 3.39Å; Y372-K437 HydrophobicContact CD2-CG 4.07Å; Y372-K437 HydrophobicContact CE2-CD 4.31Å; Y372-K437 HydrophobicContact CE2-CG 3.92Å; Y372-K437 WeakPolarHBondContact O-CE 3.28Å; Y372-K437 PolarHBondContact O-NZ 3.13Å
373H98.6Very high96.1Very high24 Ų248.3 Ų8.311%0.1114%0.042CC..THydrogen-bonded Turntrans-88.82.5176.8-63.9-61.8000114.2K270 N347 L350 G351 E369 A370 M371 V375K270-H373 PolarHBondContact O-CE1 3.23Å; K270-H373 PolarHBondContact O-NE2 2.62Å; N347-H373 PolarHBondContact O-CD2 2.91Å; N347-H373 PolarHBondContact O-NE2 2.95Å; N347-H373 VanDerWaalsContact O-NE2 3.11Å; N347-H373 PolarHBondContact OD1-NE2 3.07Å; L350-H373 HydrophobicContact CB-CB 4.35Å; L350-H373 WeakPolarHBondContact O-CB 3.41Å; G351-H373 VanDerWaalsContact CA-CG 3.4Å; G351-H373 VanDerWaalsContact CA-ND1 3.29Å; G351-H373 WeakPolarHBondContact CA-ND1 3.17Å; E369-H373 PolarHBondContact O-CD2 3.31Å; E369-H373 PolarHBondContact O-N 3.38Å; A370-H373 CarbonylContact O-C 3.56Å; A370-H373 PolarHBondContact O-N 3.47Å; M371-H373 VanDerWaalsContact C-N 3.26Å; M371-H373 PolarHBondContact O-N 2.9Å; H373-V375 VanDerWaalsContact C-N 3.3Å; H373-V375 HydrophobicContact CB-CG2 4.1Å; H373-V375 PolarHBondContact O-N 3.48Å
374G98.4Very high95.6Very high1 Ų19 Ų91%0.015%0.049CC..THydrogen-bonded Turntrans60.938.4-179.400000112.8A370 M371 Y372 R426 A429A370-G374 PolarHBondContact O-N 2.98Å; M371-G374 PolarHBondContact O-N 2.94Å; Y372-G374 VanDerWaalsContact C-N 3.33Å; G374-R426 WeakPolarHBondContact O-CD 3.32Å; G374-R426 PolarHBondContact O-NE 3.17Å; G374-R426 PolarHBondContact O-NH2 3.14Å; G374-A429 VanDerWaalsContact C-CB 3.5Å; G374-A429 WeakPolarHBondContact CA-O 3.15Å; G374-A429 WeakPolarHBondContact O-CB 3.49Å
375V98.8Very high95.3Very high0 Ų010.3 Ų10.30%06%0.056CC..  trans-98.7126.1178178.50000109.1L350 T355 F358 A370 H373L350-V375 HydrophobicContact CD2-CB 4.42Å; L350-V375 HydrophobicContact CD2-CG1 4.15Å; L350-V375 HydrophobicContact CD2-CG2 4.48Å; L350-V375 VanDerWaalsContact O-CG2 3.24Å; L350-V375 WeakPolarHBondContact O-CG2 3.47Å; T355-V375 HydrophobicContact CG2-CG1 3.92Å; T355-V375 HydrophobicContact CG2-CG2 4.1Å; F358-V375 HydrophobicContact CB-CG1 4.07Å; A370-V375 PolarHBondContact O-N 2.95Å; H373-V375 VanDerWaalsContact C-N 3.3Å; H373-V375 HydrophobicContact CB-CG2 4.1Å; H373-V375 PolarHBondContact O-N 3.48Å
376P98.6Very high95.3Very high1 Ų19.8 Ų9.81%0.0065%0.053CC..  trans-75.5157.317934.8-37.8000111.6K356 A357 F358 M398 V419 A429K356-P376 WeakPolarHBondContact O-CD 3.34Å; K356-P376 WeakPolarHBondContact O-CG 3.49Å; A357-P376 WeakPolarHBondContact CA-O 3.25Å; F358-P376 PolarHBondContact N-O 3.14Å; P376-M398 VanDerWaalsContact CA-O 3.23Å; P376-M398 WeakPolarHBondContact CA-O 3.47Å; P376-M398 VanDerWaalsContact CB-O 3.26Å; P376-M398 WeakPolarHBondContact CB-O 3.4Å; P376-V419 HydrophobicContact CB-CG1 3.64Å; P376-V419 HydrophobicContact CG-CG1 3.63Å; P376-A429 HydrophobicContact CB-CB 4.4Å
377V98.7Very high95.2Very high0 Ų011 Ų110%06%0.055CC..EExtended strand (participates in β ladder)trans-123.4135-166.3-178.40000111.8F358 I367 A370 M390 V393 M398 G399 V400F358-V377 HydrophobicContact CB-CG2 4.4Å; F358-V377 HydrophobicContact CD1-CG2 4.28Å; F358-V377 CarbonylContact O-C 3.47Å; F358-V377 VanDerWaalsContact O-CA 3.3Å; F358-V377 WeakPolarHBondContact O-CA 3.47Å; I367-V377 HydrophobicContact CD1-CB 4.45Å; I367-V377 HydrophobicContact CD1-CG1 3.77Å; I367-V377 HydrophobicContact CD1-CG2 4.1Å; A370-V377 HydrophobicContact CB-CG2 3.75Å; V377-M390 HydrophobicContact CG1-CE 4.16Å; V377-M390 HydrophobicContact CG1-SD 4.07Å; V377-V393 HydrophobicContact CB-CG1 4.13Å; V377-M398 HydrophobicContact CG2-CE 4.24Å; V377-M398 PolarHBondContact N-O 2.89Å; V377-M398 VanDerWaalsContact N-O 3.14Å; V377-G399 CarbonylContact O-C 3.57Å; V377-G399 WeakPolarHBondContact O-CA 3.42Å; V377-V400 PolarHBondContact O-N 3.27Å
378V98.8Very high95Very high0 Ų011.1 Ų11.10%06%0.056CC..EExtended strand (participates in β ladder)trans-102120.1156.1178.10000106.9F358 L359 S360 L402 L412 L416 V419F358-V378 PolarHBondContact O-N 3.38Å; L359-V378 VanDerWaalsContact CA-O 3.32Å; L359-V378 WeakPolarHBondContact CA-O 3.4Å; L359-V378 HydrophobicContact CD1-CB 4.01Å; L359-V378 HydrophobicContact CD1-CG1 3.84Å; L359-V378 WeakPolarHBondContact CD1-O 3.42Å; S360-V378 PolarHBondContact N-O 2.84Å; V378-L402 HydrophobicContact CG1-CD1 4.06Å; V378-L412 HydrophobicContact CG1-CD1 4.22Å; V378-L416 HydrophobicContact CB-CD2 4Å; V378-L416 HydrophobicContact CB-CG 4.49Å; V378-L416 HydrophobicContact CG2-CD2 3.79Å; V378-L416 HydrophobicContact CG2-CG 4.16Å; V378-V419 HydrophobicContact CG2-CB 3.94Å; V378-V419 HydrophobicContact CG2-CG1 4.34Å; V378-V419 HydrophobicContact CG2-CG2 3.69Å
379G97.8Very high94.9Very high0 Ų011 Ų110%06%0.056CC..EExtended strand (participates in β ladder)trans-107.5133.3-176.500000112.3S360 P381 M390 V400 L402S360-G379 CarbonylContact O-C 3.53Å; S360-G379 VanDerWaalsContact O-CA 3.23Å; S360-G379 WeakPolarHBondContact O-CA 3.01Å; G379-P381 VanDerWaalsContact C-CD 3.47Å; G379-P381 WeakPolarHBondContact O-CD 3.16Å; G379-M390 VanDerWaalsContact CA-CE 3.48Å; G379-V400 PolarHBondContact N-O 3.19Å; G379-L402 PolarHBondContact O-N 3.35Å
380V97.1Very high94.8Very high0 Ų010 Ų100%05%0.051CC..  trans-119.675.8171.6-177.90000107.4F296 L359 S360 H361 L382 L402 W404 M407 L412F296-V380 HydrophobicContact CE1-CB 3.9Å; F296-V380 HydrophobicContact CE1-CG1 4.19Å; F296-V380 HydrophobicContact CZ-CB 4.23Å; L359-V380 HydrophobicContact CD1-CG2 3.96Å; S360-V380 PolarHBondContact O-N 2.97Å; H361-V380 WeakPolarHBondContact CA-O 3.27Å; V380-L382 HydrophobicContact CG1-CD2 4.47Å; V380-L382 PolarHBondContact O-N 2.75Å; V380-L402 HydrophobicContact CG2-CB 4.34Å; V380-W404 HydrophobicContact CG1-CB 3.64Å; V380-M407 HydrophobicContact CG1-CE 3.69Å; V380-M407 HydrophobicContact CG1-SD 3.88Å; V380-M407 HydrophobicContact CG2-CE 4.39Å; V380-M407 HydrophobicContact CG2-SD 3.95Å; V380-L412 HydrophobicContact CG2-CD1 4.49Å
381P94Very high94.8Very high0 Ų010.4 Ų10.40%05%0.054CC..  trans-61.1135.3-177.226.4-36.9000111.9H361 G379 H386 Y387 M390 M401 L402 W404H361-P381 VanDerWaalsContact O-CA 3.32Å; H361-P381 WeakPolarHBondContact O-CA 3.46Å; G379-P381 VanDerWaalsContact C-CD 3.47Å; G379-P381 WeakPolarHBondContact O-CD 3.16Å; P381-H386 HydrophobicContact CB-CB 3.76Å; P381-Y387 HydrophobicContact CB-CD1 3.65Å; P381-Y387 HydrophobicContact CB-CD2 4.04Å; P381-Y387 HydrophobicContact CB-CE1 3.9Å; P381-Y387 HydrophobicContact CB-CE2 4.27Å; P381-Y387 HydrophobicContact CB-CG 3.71Å; P381-Y387 HydrophobicContact CG-CD1 3.4Å; P381-Y387 VanDerWaalsContact CG-CD1 3.4Å; P381-Y387 HydrophobicContact CG-CE1 3.58Å; P381-Y387 HydrophobicContact CG-CG 4Å; P381-Y387 VanDerWaalsContact O-CZ 3.31Å; P381-Y387 PolarHBondContact O-OH 3.47Å; P381-M390 HydrophobicContact CB-CG 4.45Å; P381-M390 HydrophobicContact CG-CB 4.42Å; P381-M401 HydrophobicContact CG-CG 3.79Å; P381-M401 HydrophobicContact CG-SD 3.92Å; P381-L402 WeakPolarHBondContact CD-O 3.47Å; P381-W404 VanDerWaalsContact O-CD1 3.24Å
382L88.4Confident94.7Very high2 Ų211.3 Ų11.31%0.016%0.057CC..  trans-101.1-51.3-175-60-178.1000112.9F97 F296 V300 L303 H361 V380 Y387 W404F97-L382 HydrophobicContact CE1-CD2 3.89Å; F97-L382 HydrophobicContact CZ-CD1 3.86Å; F97-L382 HydrophobicContact CZ-CD2 3.7Å; F97-L382 HydrophobicContact CZ-CG 4.28Å; F296-L382 HydrophobicContact CD1-CD1 3.86Å; F296-L382 HydrophobicContact CD1-CG 4.32Å; V300-L382 HydrophobicContact CB-CD1 4.39Å; V300-L382 HydrophobicContact CG1-CD1 3.7Å; V300-L382 HydrophobicContact CG2-CD1 3.95Å; L303-L382 HydrophobicContact CD2-CD1 4.23Å; H361-L382 HydrophobicContact CB-CD1 4.33Å; H361-L382 HydrophobicContact CB-CG 4.33Å; V380-L382 HydrophobicContact CG1-CD2 4.47Å; V380-L382 PolarHBondContact O-N 2.75Å; L382-Y387 WeakPolarHBondContact O-CE2 3.18Å; L382-Y387 PolarHBondContact O-OH 3.29Å; L382-W404 HydrophobicContact CD2-CB 4.35Å; L382-W404 HydrophobicContact CD2-CG 4.2Å
383F85.6Confident94.7Very high38 Ų389.8 Ų9.817%0.1675%0.051CC..SBendtrans-163.1173.3-176.358.5-91.7000110.6V93 I96 T102 V300 H386V93-F383 HydrophobicContact CG1-CE1 4.43Å; V93-F383 HydrophobicContact CG2-CD1 4.29Å; V93-F383 HydrophobicContact CG2-CE1 3.52Å; V93-F383 HydrophobicContact CG2-CZ 3.8Å; I96-F383 HydrophobicContact CD1-CB 3.85Å; I96-F383 HydrophobicContact CD1-CD1 4.48Å; I96-F383 HydrophobicContact CD1-CG 4.21Å; T102-F383 HydrophobicContact CG2-CB 4.07Å; V300-F383 HydrophobicContact CG2-CE1 3.91Å; V300-F383 HydrophobicContact CG2-CZ 4.18Å; F383-H386 AromaticContact CZ-CE1 3.94Å; F383-H386 VanDerWaalsContact O-CB 3.24Å; F383-H386 WeakPolarHBondContact O-CB 3.33Å; F383-H386 PolarHBondContact O-N 3.13Å; F383-H386 PolarHBondContact O-ND1 2.68Å; F383-H386 VanDerWaalsContact O-ND1 3.07Å
384G84.4Confident94.6Very high22 Ų2210.5 Ų10.523%0.2276%0.061CC..THydrogen-bonded Turntrans61-142.7174.800000113H386G384-H386 PolarHBondContact O-N 2.81Å
385D86.8Confident94.6Very high35 Ų3513 Ų1319%0.1878%0.082CC..THydrogen-bonded Turntrans-72.9-4.5-17767.3-31.7000114.2L165 F183 Y387 D388 T389L165-D385 HydrophobicContact CB-CB 4.24Å; L165-D385 PolarHBondContact N-OD2 3.38Å; F183-D385 HydrophobicContact CE2-CB 3.8Å; F183-D385 HydrophobicContact CZ-CB 3.9Å; D385-Y387 VanDerWaalsContact C-N 3.29Å; D385-Y387 PolarHBondContact O-N 3.19Å; D385-D388 PolarHBondContact O-N 3.19Å; D385-T389 WeakPolarHBondContact O-CB 3.42Å; D385-T389 PolarHBondContact O-N 2.88Å; D385-T389 PolarHBondContact O-OG1 2.82Å
386H92.4Very high94.5Very high14 Ų1415.2 Ų15.27%0.0659%0.091CC..Hα-helixtrans-56.9-41.6178.4-63.5167.9000112.4H361 P381 F383 G384 T389 M390H361-H386 AromaticContact CD2-CE1 3.27Å; H361-H386 PolarHBondContact CD2-CE1 2.93Å; H361-H386 AromaticContact CD2-ND1 3.7Å; H361-H386 AromaticContact CD2-NE2 3.44Å; H361-H386 PolarHBondContact CD2-NE2 3.34Å; H361-H386 AromaticContact NE2-NE2 3.81Å; H361-H386 WeakPolarHBondContact O-CB 3.37Å; P381-H386 HydrophobicContact CB-CB 3.76Å; F383-H386 AromaticContact CZ-CE1 3.94Å; F383-H386 VanDerWaalsContact O-CB 3.24Å; F383-H386 WeakPolarHBondContact O-CB 3.33Å; F383-H386 PolarHBondContact O-N 3.13Å; F383-H386 PolarHBondContact O-ND1 2.68Å; F383-H386 VanDerWaalsContact O-ND1 3.07Å; G384-H386 PolarHBondContact O-N 2.81Å; H386-T389 PolarHBondContact O-N 3.09Å; H386-M390 WeakPolarHBondContact O-CB 3.41Å; H386-M390 WeakPolarHBondContact O-CG 3.49Å; H386-M390 PolarHBondContact O-N 3.48Å
387Y93.3Very high94.5Very high37 Ų3716.6 Ų16.615%0.14511%0.105CC..Hα-helixtrans-68.6-43.7-179.7-69.8-88.4000111.8L186 P381 L382 D385 T389 M390 T391 H403 W404L186-Y387 HydrophobicContact CD1-CD1 4.36Å; L186-Y387 VanDerWaalsContact CD2-CB 3.41Å; L186-Y387 HydrophobicContact CD2-CG 4.47Å; P381-Y387 HydrophobicContact CB-CD1 3.65Å; P381-Y387 HydrophobicContact CB-CD2 4.04Å; P381-Y387 HydrophobicContact CB-CE1 3.9Å; P381-Y387 HydrophobicContact CB-CE2 4.27Å; P381-Y387 HydrophobicContact CB-CG 3.71Å; P381-Y387 HydrophobicContact CG-CD1 3.4Å; P381-Y387 VanDerWaalsContact CG-CD1 3.4Å; P381-Y387 HydrophobicContact CG-CE1 3.58Å; P381-Y387 HydrophobicContact CG-CG 4Å; P381-Y387 VanDerWaalsContact O-CZ 3.31Å; P381-Y387 PolarHBondContact O-OH 3.47Å; L382-Y387 WeakPolarHBondContact O-CE2 3.18Å; L382-Y387 PolarHBondContact O-OH 3.29Å; D385-Y387 VanDerWaalsContact C-N 3.29Å; D385-Y387 PolarHBondContact O-N 3.19Å; Y387-T389 VanDerWaalsContact C-N 3.31Å; Y387-T389 PolarHBondContact O-N 3Å; Y387-M390 PolarHBondContact O-N 2.92Å; Y387-T391 WeakPolarHBondContact O-CB 3.49Å; Y387-T391 PolarHBondContact O-N 3.44Å; Y387-T391 PolarHBondContact O-OG1 3.06Å; Y387-H403 AromaticContact CE1-ND1 3.78Å; Y387-W404 PolarHBondContact OH-NE1 3.37Å
388D93.3Very high94.5Very high3 Ų316.6 Ų16.62%0.01611%0.105CC..Hα-helixtrans-64.4-37.2176.3-80.7-79.6000112.3L165 F183 N184 D385 R392L165-D388 HydrophobicContact CD2-CB 3.88Å; F183-D388 HydrophobicContact CD2-CB 4.24Å; F183-D388 HydrophobicContact CE2-CB 4.19Å; N184-D388 VanDerWaalsContact CA-OD2 3.23Å; N184-D388 WeakPolarHBondContact CA-OD2 3.47Å; N184-D388 VanDerWaalsContact N-CG 3.34Å; N184-D388 PolarHBondContact N-OD1 3.1Å; N184-D388 PolarHBondContact N-OD2 2.81Å; D385-D388 PolarHBondContact O-N 3.19Å; D388-R392 PolarHBondContact O-N 3.22Å; D388-R392 PolarHBondContact O-NH1 3.45Å; D388-R392 IonicContact OD1-NH1 2.77Å
389T95.3Very high94.4Very high0 Ų016.8 Ų16.80%011%0.107CC..Hα-helixtrans-64-50.1175-52.80000110L165 L251 G362 L364 I367 D385 H386 Y387 T391 R392 V393L165-T389 VanDerWaalsContact CD2-CA 3.48Å; L165-T389 WeakPolarHBondContact CD2-OG1 3.26Å; L251-T389 HydrophobicContact CD2-CG2 4.47Å; G362-T389 VanDerWaalsContact O-CB 3.25Å; G362-T389 WeakPolarHBondContact O-CB 3.35Å; G362-T389 WeakPolarHBondContact O-CG2 3.36Å; G362-T389 PolarHBondContact O-OG1 3.49Å; L364-T389 HydrophobicContact CD1-CG2 4.28Å; I367-T389 HydrophobicContact CB-CG2 3.9Å; I367-T389 HydrophobicContact CG1-CG2 3.67Å; I367-T389 HydrophobicContact CG2-CG2 3.95Å; D385-T389 WeakPolarHBondContact O-CB 3.42Å; D385-T389 PolarHBondContact O-N 2.88Å; D385-T389 PolarHBondContact O-OG1 2.82Å; H386-T389 PolarHBondContact O-N 3.09Å; Y387-T389 VanDerWaalsContact C-N 3.31Å; Y387-T389 PolarHBondContact O-N 3Å; T389-T391 VanDerWaalsContact C-N 3.3Å; T389-T391 PolarHBondContact O-N 3.31Å; T389-R392 WeakPolarHBondContact O-CB 3.44Å; T389-R392 PolarHBondContact O-N 3.43Å; T389-R392 VanDerWaalsContact O-N 3.14Å; T389-V393 WeakPolarHBondContact O-CG2 3.33Å; T389-V393 PolarHBondContact O-N 3.1Å
390M96.9Very high94.5Very high0 Ų018.2 Ų18.20%012%0.116CC..Hα-helixtrans-68.6-27.9180-74.1-53.9-45.700113.7I367 V377 G379 P381 H386 Y387 R392 V393 A394 V400 M401I367-M390 HydrophobicContact CD1-SD 3.93Å; V377-M390 HydrophobicContact CG1-CE 4.16Å; V377-M390 HydrophobicContact CG1-SD 4.07Å; G379-M390 VanDerWaalsContact CA-CE 3.48Å; P381-M390 HydrophobicContact CB-CG 4.45Å; P381-M390 HydrophobicContact CG-CB 4.42Å; H386-M390 WeakPolarHBondContact O-CB 3.41Å; H386-M390 WeakPolarHBondContact O-CG 3.49Å; H386-M390 PolarHBondContact O-N 3.48Å; Y387-M390 PolarHBondContact O-N 2.92Å; M390-R392 VanDerWaalsContact C-N 3.32Å; M390-R392 PolarHBondContact O-N 3.33Å; M390-V393 HydrophobicContact CE-CB 3.8Å; M390-V393 HydrophobicContact CE-CG1 3.63Å; M390-V393 HydrophobicContact CE-CG2 4.39Å; M390-V393 PolarHBondContact O-N 2.61Å; M390-V393 HydrophobicContact SD-CB 4.18Å; M390-V393 HydrophobicContact SD-CG1 4.33Å; M390-V393 HydrophobicContact SD-CG2 4.12Å; M390-A394 WeakPolarHBondContact O-CB 3.18Å; M390-A394 PolarHBondContact O-N 2.88Å; M390-V400 WeakPolarHBondContact CE-O 3.38Å; M390-M401 HydrophobicContact CB-CB 4.09Å; M390-M401 HydrophobicContact CB-CG 3.75Å; M390-M401 HydrophobicContact CB-SD 3.6Å; M390-M401 VanDerWaalsContact CB-SD 3.6Å; M390-M401 HydrophobicContact CE-CB 4.41Å
391T96.6Very high94.5Very high9 Ų920.4 Ų20.46%0.05513%0.127CC..Hα-helixtrans-59.6-44170.6-60.50000110.7T188 Y387 T389 A395T188-T391 HydrophobicContact CG2-CG2 4.33Å; Y387-T391 WeakPolarHBondContact O-CB 3.49Å; Y387-T391 PolarHBondContact O-N 3.44Å; Y387-T391 PolarHBondContact O-OG1 3.06Å; T389-T391 VanDerWaalsContact C-N 3.3Å; T389-T391 PolarHBondContact O-N 3.31Å; T391-A395 WeakPolarHBondContact O-CB 3.29Å; T391-A395 PolarHBondContact O-N 3.41Å
392R96.8Very high94.7Very high20 Ų2021.4 Ų21.48%0.07513%0.132CC..Hα-helixtrans-67.7-45175.8-70.6165.4177.868.4-1.4112.1L251 E252 F253 D388 T389 M390 A394 A395 K396L251-R392 HydrophobicContact CD1-CB 3.88Å; L251-R392 HydrophobicContact CG-CB 3.98Å; E252-R392 IonicContact OE1-CZ 3.32Å; E252-R392 IonicContact OE1-NE 3.37Å; E252-R392 PolarHBondContact OE1-NE 3.45Å; E252-R392 IonicContact OE1-NH2 2.94Å; E252-R392 IonicContact OE2-CZ 3.34Å; E252-R392 VanDerWaalsContact OE2-CZ 3.32Å; E252-R392 IonicContact OE2-NE 2.81Å; E252-R392 PolarHBondContact OE2-NE 3.41Å; E252-R392 IonicContact OE2-NH2 3.92Å; E252-R392 PolarHBondContact OE2-NH2 2.91Å; F253-R392 HydrophobicContact CD2-CG 4.31Å; F253-R392 HydrophobicContact CE2-CG 3.84Å; F253-R392 HydrophobicContact CZ-CG 4.17Å; D388-R392 PolarHBondContact O-N 3.22Å; D388-R392 PolarHBondContact O-NH1 3.45Å; D388-R392 IonicContact OD1-NH1 2.77Å; T389-R392 WeakPolarHBondContact O-CB 3.44Å; T389-R392 PolarHBondContact O-N 3.43Å; T389-R392 VanDerWaalsContact O-N 3.14Å; M390-R392 VanDerWaalsContact C-N 3.32Å; M390-R392 PolarHBondContact O-N 3.33Å; R392-A394 VanDerWaalsContact C-N 3.29Å; R392-A394 PolarHBondContact O-N 2.89Å; R392-A395 PolarHBondContact O-N 2.91Å; R392-K396 VanDerWaalsContact O-CB 3.3Å; R392-K396 WeakPolarHBondContact O-CB 3.36Å; R392-K396 WeakPolarHBondContact O-CG 3.38Å; R392-K396 PolarHBondContact O-N 3.01Å
393V97.8Very high94.9Very high0 Ų025 Ų250%015%0.148CC..Hα-helixtrans-55.4-46.3176.91710000111.1L251 I367 V377 T389 M390 G397 M398 G399L251-V393 HydrophobicContact CD1-CG2 4.09Å; I367-V393 HydrophobicContact CD1-CG2 4.32Å; I367-V393 HydrophobicContact CG1-CG2 4.47Å; I367-V393 HydrophobicContact CG2-CG2 3.53Å; V377-V393 HydrophobicContact CB-CG1 4.13Å; T389-V393 WeakPolarHBondContact O-CG2 3.33Å; T389-V393 PolarHBondContact O-N 3.1Å; M390-V393 HydrophobicContact CE-CB 3.8Å; M390-V393 HydrophobicContact CE-CG1 3.63Å; M390-V393 HydrophobicContact CE-CG2 4.39Å; M390-V393 PolarHBondContact O-N 2.61Å; M390-V393 HydrophobicContact SD-CB 4.18Å; M390-V393 HydrophobicContact SD-CG1 4.33Å; M390-V393 HydrophobicContact SD-CG2 4.12Å; V393-G397 PolarHBondContact O-N 2.91Å; V393-M398 HydrophobicContact CB-CE 4.36Å; V393-M398 HydrophobicContact CG1-CB 4.2Å; V393-M398 HydrophobicContact CG1-CE 3.92Å; V393-M398 HydrophobicContact CG2-CE 3.79Å; V393-M398 PolarHBondContact O-N 2.92Å; V393-G399 PolarHBondContact O-N 2.58Å
394A97.9Very high95.2Very high39 Ų3924.2 Ų24.232%0.32215%0.145SC..Hα-helixtrans-68-47.717800000112M390 R392 K396 G397 G399M390-A394 WeakPolarHBondContact O-CB 3.18Å; M390-A394 PolarHBondContact O-N 2.88Å; R392-A394 VanDerWaalsContact C-N 3.29Å; R392-A394 PolarHBondContact O-N 2.89Å; A394-K396 VanDerWaalsContact C-N 3.26Å; A394-K396 PolarHBondContact O-N 3.39Å; A394-G397 PolarHBondContact O-N 2.97Å; A394-G399 WeakPolarHBondContact CA-O 3.45Å
395A97.4Very high95.5Very high53 Ų5328.9 Ų28.944%0.43816%0.159SC..Hα-helixtrans-61.8-34.4179.800000112.8T188 F253 T391 R392 G397T188-A395 HydrophobicContact CG2-CB 3.79Å; F253-A395 HydrophobicContact CE1-CB 3.87Å; F253-A395 HydrophobicContact CZ-CB 3.69Å; T391-A395 WeakPolarHBondContact O-CB 3.29Å; T391-A395 PolarHBondContact O-N 3.41Å; R392-A395 PolarHBondContact O-N 2.91Å; A395-G397 VanDerWaalsContact C-N 3.26Å; A395-G397 PolarHBondContact O-N 3.35Å
396K97.3Very high95.8Very high47 Ų4733.3 Ų33.320%0.20418%0.182CC..THydrogen-bonded Turntrans-80.8-3.3175.7-62.6-73.2-175.51630112.8A250 L251 E252 R392 A394 M398 Q428 L432A250-K396 WeakPolarHBondContact O-CE 3.37Å; A250-K396 PolarHBondContact O-NZ 3.02Å; L251-K396 WeakPolarHBondContact O-CE 3.35Å; E252-K396 WeakPolarHBondContact O-CE 3.29Å; E252-K396 PolarHBondContact O-NZ 2.98Å; R392-K396 VanDerWaalsContact O-CB 3.3Å; R392-K396 WeakPolarHBondContact O-CB 3.36Å; R392-K396 WeakPolarHBondContact O-CG 3.38Å; R392-K396 PolarHBondContact O-N 3.01Å; A394-K396 VanDerWaalsContact C-N 3.26Å; A394-K396 PolarHBondContact O-N 3.39Å; K396-M398 VanDerWaalsContact C-N 3.31Å; K396-M398 PolarHBondContact O-N 2.78Å; K396-Q428 WeakPolarHBondContact O-CG 3.39Å; K396-Q428 PolarHBondContact O-NE2 3.38Å; K396-L432 HydrophobicContact CB-CD1 3.89Å
397G97.9Very high96Very high29 Ų2933 Ų3330%0.29918%0.181SC..THydrogen-bonded Turntrans74.412.6178.100000115.2V393 A394 A395 G399 Y425 Q428V393-G397 PolarHBondContact O-N 2.91Å; A394-G397 PolarHBondContact O-N 2.97Å; A395-G397 VanDerWaalsContact C-N 3.26Å; A395-G397 PolarHBondContact O-N 3.35Å; G397-G399 VanDerWaalsContact C-N 3.3Å; G397-Y425 WeakPolarHBondContact O-CD1 3.48Å; G397-Q428 WeakPolarHBondContact O-CB 3.47Å
398M97.9Very high96.1Very high0 Ų034.3 Ų34.30%019%0.193CC..SBendtrans-80.1-14.7178.6-176.2173.878.200112.4I367 M371 P376 V377 V393 K396 A429 L432I367-M398 HydrophobicContact CG2-CE 4.02Å; M371-M398 HydrophobicContact CB-CE 4.13Å; M371-M398 HydrophobicContact CB-SD 3.84Å; M371-M398 HydrophobicContact CG-SD 4.01Å; P376-M398 VanDerWaalsContact CA-O 3.23Å; P376-M398 WeakPolarHBondContact CA-O 3.47Å; P376-M398 VanDerWaalsContact CB-O 3.26Å; P376-M398 WeakPolarHBondContact CB-O 3.4Å; V377-M398 HydrophobicContact CG2-CE 4.24Å; V377-M398 PolarHBondContact N-O 2.89Å; V377-M398 VanDerWaalsContact N-O 3.14Å; V393-M398 HydrophobicContact CB-CE 4.36Å; V393-M398 HydrophobicContact CG1-CB 4.2Å; V393-M398 HydrophobicContact CG1-CE 3.92Å; V393-M398 HydrophobicContact CG2-CE 3.79Å; V393-M398 PolarHBondContact O-N 2.92Å; K396-M398 VanDerWaalsContact C-N 3.31Å; K396-M398 PolarHBondContact O-N 2.78Å; M398-A429 HydrophobicContact CG-CB 3.72Å; M398-A429 HydrophobicContact SD-CB 4.26Å; M398-L432 HydrophobicContact CB-CD1 3.82Å; M398-L432 HydrophobicContact CG-CD1 4.32Å; M398-L432 HydrophobicContact SD-CD1 3.91Å
399G98.3Very high96.3Very high4 Ų437.2 Ų37.24%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-171.3-172.4-174.100000114.8V377 V393 A394 G397V377-G399 CarbonylContact O-C 3.57Å; V377-G399 WeakPolarHBondContact O-CA 3.42Å; V393-G399 PolarHBondContact O-N 2.58Å; A394-G399 WeakPolarHBondContact CA-O 3.45Å; G397-G399 VanDerWaalsContact C-N 3.3Å
400V98.3Very high96.5Very high30 Ų3041.8 Ų41.818%0.18223%0.228CC..EExtended strand (participates in β ladder)trans-123141.7178.8178.40000109.1V377 G379 M390 L402 V419 Y425V377-V400 PolarHBondContact O-N 3.27Å; G379-V400 PolarHBondContact N-O 3.19Å; M390-V400 WeakPolarHBondContact CE-O 3.38Å; V400-L402 HydrophobicContact CG1-CD2 4.43Å; V400-V419 HydrophobicContact CB-CG2 4.49Å; V400-V419 HydrophobicContact CG2-CG2 3.92Å; V400-Y425 HydrophobicContact CG2-CE1 3.84Å; V400-Y425 WeakPolarHBondContact CG2-OH 3.38Å
401M97.9Very high96.5Very high46 Ų4645.1 Ų45.123%0.22725%0.246CC..EExtended strand (participates in β ladder)trans-107129.5173.3-177.117669.500109.7P381 M390P381-M401 HydrophobicContact CG-CG 3.79Å; P381-M401 HydrophobicContact CG-SD 3.92Å; M390-M401 HydrophobicContact CB-CB 4.09Å; M390-M401 HydrophobicContact CB-CG 3.75Å; M390-M401 HydrophobicContact CB-SD 3.6Å; M390-M401 VanDerWaalsContact CB-SD 3.6Å; M390-M401 HydrophobicContact CE-CB 4.41Å
402L97.4Very high96.6Very high21 Ų2144.8 Ų44.811%0.1124%0.243CC..  trans-116.6135.3174.9-66.4177.5000110.3V378 G379 V380 P381 V400 W404 M407 L412V378-L402 HydrophobicContact CG1-CD1 4.06Å; G379-L402 PolarHBondContact O-N 3.35Å; V380-L402 HydrophobicContact CG2-CB 4.34Å; P381-L402 WeakPolarHBondContact CD-O 3.47Å; V400-L402 HydrophobicContact CG1-CD2 4.43Å; L402-W404 PolarHBondContact O-N 2.92Å; L402-M407 HydrophobicContact CB-CB 4.47Å; L402-M407 HydrophobicContact CB-SD 4.34Å; L402-L412 HydrophobicContact CD1-CB 4.31Å; L402-L412 HydrophobicContact CD1-CD1 3.85Å
403H94.4Very high96.7Very high77 Ų7746.7 Ų46.736%0.35625%0.251SS..  trans-84.1116.9175.4-68.6-78.1000109.9Y387 K405 D406 M407Y387-H403 AromaticContact CE1-ND1 3.78Å; H403-K405 PolarHBondContact O-N 2.89Å; H403-K405 VanDerWaalsContact O-N 3.08Å; H403-D406 PolarHBondContact O-N 3.05Å; H403-M407 WeakPolarHBondContact O-CB 3.3Å; H403-M407 PolarHBondContact O-N 3.42Å
404W91.9Very high96.7Very high23 Ų2349 Ų499%0.08727%0.27CS..THydrogen-bonded Turntrans-58.5-28.1-17470.1-93.2000114I96 F97 I307 V380 P381 L382 Y387 L402 M407I96-W404 HydrophobicContact CG2-CZ2 4.3Å; F97-W404 HydrophobicContact CD1-CD2 4.28Å; F97-W404 AromaticContact CD1-CE3 3.98Å; F97-W404 HydrophobicContact CD1-CE3 3.98Å; F97-W404 AromaticContact CD1-CH2 3.78Å; F97-W404 HydrophobicContact CD1-CH2 3.78Å; F97-W404 HydrophobicContact CD1-CZ2 4.06Å; F97-W404 AromaticContact CD1-CZ3 3.74Å; F97-W404 HydrophobicContact CD1-CZ3 3.74Å; F97-W404 HydrophobicContact CE1-CD2 4.09Å; F97-W404 HydrophobicContact CE1-CE3 4.1Å; F97-W404 HydrophobicContact CE1-CZ2 4.48Å; F97-W404 HydrophobicContact CE1-CZ3 4.32Å; I307-W404 HydrophobicContact CD1-CB 4.16Å; I307-W404 HydrophobicContact CD1-CE3 4.01Å; I307-W404 VanDerWaalsContact CD1-O 3.25Å; I307-W404 WeakPolarHBondContact CD1-O 3.37Å; I307-W404 HydrophobicContact CG1-CE3 4.29Å; V380-W404 HydrophobicContact CG1-CB 3.64Å; P381-W404 VanDerWaalsContact O-CD1 3.24Å; L382-W404 HydrophobicContact CD2-CB 4.35Å; L382-W404 HydrophobicContact CD2-CG 4.2Å; Y387-W404 PolarHBondContact OH-NE1 3.37Å; L402-W404 PolarHBondContact O-N 2.92Å; W404-M407 HydrophobicContact CB-CE 4.26Å
405K90.3Very high96.8Very high120 Ų12048 Ų4852%0.52226%0.261SS..THydrogen-bonded Turntrans-69.2-35.3179.1-67.6-173.1176.7-176.50112.9H403H403-K405 PolarHBondContact O-N 2.89Å; H403-K405 VanDerWaalsContact O-N 3.08Å
406D92.7Very high96.8Very high128 Ų12845.5 Ų45.568%0.68424%0.24SC*.THydrogen-bonded Turntrans-107.9-16.6-169.6-51.3-47.5000112H403H403-D406 PolarHBondContact O-N 3.05Å
407M95.7Very high96.9Very high6 Ų644.8 Ų44.83%0.0324%0.241CC..  trans-67.8138.7-176.275177179.600112.6I307 K310 V380 L402 H403 W404I307-M407 HydrophobicContact CD1-CE 3.71Å; I307-M407 HydrophobicContact CG2-CE 3.99Å; K310-M407 PolarHBondContact NZ-O 3.42Å; V380-M407 HydrophobicContact CG1-CE 3.69Å; V380-M407 HydrophobicContact CG1-SD 3.88Å; V380-M407 HydrophobicContact CG2-CE 4.39Å; V380-M407 HydrophobicContact CG2-SD 3.95Å; L402-M407 HydrophobicContact CB-CB 4.47Å; L402-M407 HydrophobicContact CB-SD 4.34Å; H403-M407 WeakPolarHBondContact O-CB 3.3Å; H403-M407 PolarHBondContact O-N 3.42Å; W404-M407 HydrophobicContact CB-CE 4.26Å
408T97.1Very high96.9Very high65 Ų6545.6 Ų45.640%0.39924%0.242SC..  trans-97.5168.6167.468.40000111.2E410 D411 L412T408-E410 PolarHBondContact O-N 3.24Å; T408-E410 PolarHBondContact OG1-N 3.49Å; T408-D411 WeakPolarHBondContact CB-OD2 3.35Å; T408-D411 PolarHBondContact N-OD2 3Å; T408-D411 PolarHBondContact O-N 2.96Å; T408-D411 PolarHBondContact OG1-N 2.78Å; T408-D411 VanDerWaalsContact OG1-N 3.11Å; T408-D411 PolarHBondContact OG1-OD2 3.44Å; T408-L412 PolarHBondContact O-N 2.91Å
409E97.4Very high96.9Very high64 Ų6445.7 Ų45.730%0.29924%0.242SC..Hα-helixtrans-58-38.4169.4-174.4-175.9126.200111.6A314 R317 L412 Y413A314-E409 HydrophobicContact CB-CG 3.88Å; A314-E409 VanDerWaalsContact N-CG 3.35Å; R317-E409 IonicContact NH1-OE1 3.5Å; E409-L412 PolarHBondContact O-N 3.4Å; E409-Y413 PolarHBondContact O-N 3.02Å
410E98.3Very high97Very high96 Ų9646.9 Ų46.945%0.44925%0.248SC..Hα-helixtrans-66.7-44179.8-17357.4-146.500111.7R317 T408 L412 Y413 A414R317-E410 IonicContact CZ-OE2 2.71Å; R317-E410 IonicContact NH1-OE2 2.74Å; R317-E410 PolarHBondContact NH1-OE2 3.42Å; R317-E410 IonicContact NH2-OE1 3.5Å; R317-E410 PolarHBondContact NH2-OE1 3.18Å; R317-E410 IonicContact NH2-OE2 3.87Å; R317-E410 PolarHBondContact NH2-OE2 2.72Å; T408-E410 PolarHBondContact O-N 3.24Å; T408-E410 PolarHBondContact OG1-N 3.49Å; E410-L412 PolarHBondContact O-N 3.1Å; E410-Y413 PolarHBondContact O-N 3.42Å; E410-A414 VanDerWaalsContact O-CB 3.24Å; E410-A414 WeakPolarHBondContact O-CB 3.45Å; E410-A414 PolarHBondContact O-N 3.02Å
411D98.1Very high96.9Very high71 Ų7150.9 Ų50.938%0.3827%0.268SS..Hα-helixtrans-59-40.3177.2-60-47.5000111.4T408 S415T408-D411 WeakPolarHBondContact CB-OD2 3.35Å; T408-D411 PolarHBondContact N-OD2 3Å; T408-D411 PolarHBondContact O-N 2.96Å; T408-D411 PolarHBondContact OG1-N 2.78Å; T408-D411 VanDerWaalsContact OG1-N 3.11Å; T408-D411 PolarHBondContact OG1-OD2 3.44Å; D411-S415 VanDerWaalsContact O-CB 3.24Å; D411-S415 WeakPolarHBondContact O-CB 3.25Å; D411-S415 PolarHBondContact O-N 2.99Å; D411-S415 PolarHBondContact O-OG 3.47Å
412L98.2Very high97Very high1 Ų150.2 Ų50.21%0.00527%0.266CS..Hα-helixtrans-68.3-47.1178.8-17962.7000111.6L311 A314 L359 V378 V380 L402 T408 E409 E410 S415 L416L311-L412 HydrophobicContact CB-CD2 4.46Å; L311-L412 HydrophobicContact CD2-CD2 3.41Å; L311-L412 VanDerWaalsContact CD2-CD2 3.41Å; L311-L412 HydrophobicContact CG-CD2 4.23Å; A314-L412 HydrophobicContact CB-CB 3.95Å; A314-L412 HydrophobicContact CB-CD2 3.65Å; A314-L412 HydrophobicContact CB-CG 3.76Å; L359-L412 HydrophobicContact CD1-CD1 4.03Å; L359-L412 HydrophobicContact CD2-CD1 4.31Å; V378-L412 HydrophobicContact CG1-CD1 4.22Å; V380-L412 HydrophobicContact CG2-CD1 4.49Å; L402-L412 HydrophobicContact CD1-CB 4.31Å; L402-L412 HydrophobicContact CD1-CD1 3.85Å; T408-L412 PolarHBondContact O-N 2.91Å; E409-L412 PolarHBondContact O-N 3.4Å; E410-L412 PolarHBondContact O-N 3.1Å; L412-S415 PolarHBondContact O-N 3.46Å; L412-L416 HydrophobicContact CD1-CD1 4.02Å; L412-L416 HydrophobicContact CD1-CG 4.4Å; L412-L416 HydrophobicContact CG-CD1 3.99Å; L412-L416 WeakPolarHBondContact O-CB 3.4Å; L412-L416 WeakPolarHBondContact O-CG 3.34Å; L412-L416 PolarHBondContact O-N 2.67Å
413Y98.6Very high97Very high61 Ų6152.8 Ų52.824%0.23928%0.283CS..Hα-helixtrans-60.1-48.4175.6170.7-99.4000111.5R317 L318 E409 E410 S415 L416 S417R317-Y413 HydrophobicContact CB-CD2 3.57Å; R317-Y413 HydrophobicContact CB-CE2 3.56Å; R317-Y413 HydrophobicContact CB-CG 4.49Å; R317-Y413 VanDerWaalsContact CZ-CD1 3.49Å; R317-Y413 VanDerWaalsContact NH2-CE1 3.32Å; L318-Y413 HydrophobicContact CD2-CD2 4.16Å; L318-Y413 HydrophobicContact CD2-CE2 4.11Å; E409-Y413 PolarHBondContact O-N 3.02Å; E410-Y413 PolarHBondContact O-N 3.42Å; Y413-S415 VanDerWaalsContact C-N 3.32Å; Y413-S415 PolarHBondContact O-N 2.88Å; Y413-L416 PolarHBondContact O-N 3.33Å; Y413-S417 VanDerWaalsContact O-CB 3.27Å; Y413-S417 WeakPolarHBondContact O-CB 3.32Å; Y413-S417 PolarHBondContact O-N 2.88Å
414A98.6Very high97.2Very high49 Ų4957 Ų5741%0.40530%0.296SS..Hα-helixtrans-60.7-41.9179.600000111.4E410 S418E410-A414 VanDerWaalsContact O-CB 3.24Å; E410-A414 WeakPolarHBondContact O-CB 3.45Å; E410-A414 PolarHBondContact O-N 3.02Å; A414-S418 WeakPolarHBondContact O-CB 3.46Å; A414-S418 PolarHBondContact O-N 2.83Å
415S98.6Very high97.5Very high17 Ų1758 Ų5812%0.11930%0.3CS..Hα-helixtrans-66.1-44.6177.4-62.20000112.5D411 L412 Y413 S418 V419D411-S415 VanDerWaalsContact O-CB 3.24Å; D411-S415 WeakPolarHBondContact O-CB 3.25Å; D411-S415 PolarHBondContact O-N 2.99Å; D411-S415 PolarHBondContact O-OG 3.47Å; L412-S415 PolarHBondContact O-N 3.46Å; Y413-S415 VanDerWaalsContact C-N 3.32Å; Y413-S415 PolarHBondContact O-N 2.88Å; S415-S418 PolarHBondContact O-N 3.29Å; S415-V419 WeakPolarHBondContact O-CB 3.21Å; S415-V419 WeakPolarHBondContact O-CG2 3.42Å; S415-V419 PolarHBondContact O-N 2.94Å
416L98.6Very high97.9Very high0 Ų054.8 Ų54.80%029%0.285CS..Hα-helixtrans-63.7-46.5176.3-75.3163.5000111.2L315 L318 L359 V378 L412 Y413 S418 V419 I420L315-L416 HydrophobicContact CD2-CD1 3.97Å; L318-L416 HydrophobicContact CD1-CB 4.42Å; L318-L416 HydrophobicContact CD1-CD1 4.2Å; L318-L416 HydrophobicContact CD2-CB 4.31Å; L359-L416 HydrophobicContact CB-CD2 4.37Å; L359-L416 HydrophobicContact CD2-CD1 4.35Å; V378-L416 HydrophobicContact CB-CD2 4Å; V378-L416 HydrophobicContact CB-CG 4.49Å; V378-L416 HydrophobicContact CG2-CD2 3.79Å; V378-L416 HydrophobicContact CG2-CG 4.16Å; L412-L416 HydrophobicContact CD1-CD1 4.02Å; L412-L416 HydrophobicContact CD1-CG 4.4Å; L412-L416 HydrophobicContact CG-CD1 3.99Å; L412-L416 WeakPolarHBondContact O-CB 3.4Å; L412-L416 WeakPolarHBondContact O-CG 3.34Å; L412-L416 PolarHBondContact O-N 2.67Å; Y413-L416 PolarHBondContact O-N 3.33Å; L416-S418 VanDerWaalsContact C-N 3.34Å; L416-S418 PolarHBondContact O-N 3.33Å; L416-V419 PolarHBondContact O-N 3.33Å; L416-I420 WeakPolarHBondContact O-CB 3.37Å; L416-I420 WeakPolarHBondContact O-CD1 3.34Å; L416-I420 WeakPolarHBondContact O-CG1 3.15Å; L416-I420 PolarHBondContact O-N 3.4Å
417S98.6Very high98.2Very high33 Ų3354.5 Ų54.523%0.23128%0.279CS..Hα-helixtrans-59.6-45176.6-174.70000111.5Y413 I420 N421Y413-S417 VanDerWaalsContact O-CB 3.27Å; Y413-S417 WeakPolarHBondContact O-CB 3.32Å; Y413-S417 PolarHBondContact O-N 2.88Å; S417-I420 PolarHBondContact O-N 2.95Å; S417-N421 VanDerWaalsContact O-CB 3.25Å; S417-N421 WeakPolarHBondContact O-CB 3.39Å; S417-N421 VanDerWaalsContact O-CG 3.32Å; S417-N421 PolarHBondContact O-N 3.35Å; S417-N421 PolarHBondContact O-ND2 3.3Å; S417-N421 PolarHBondContact OG-ND2 3.44Å; S417-N421 VanDerWaalsContact OG-ND2 3.14Å
418S98.4Very high98.3Very high45 Ų4557.1 Ų57.132%0.31529%0.291SS..Hα-helixtrans-60.3-50.4176-178.50000111.9A414 S415 L416 I420 N421 D422A414-S418 WeakPolarHBondContact O-CB 3.46Å; A414-S418 PolarHBondContact O-N 2.83Å; S415-S418 PolarHBondContact O-N 3.29Å; L416-S418 VanDerWaalsContact C-N 3.34Å; L416-S418 PolarHBondContact O-N 3.33Å; S418-I420 VanDerWaalsContact C-N 3.29Å; S418-I420 PolarHBondContact O-N 2.93Å; S418-N421 PolarHBondContact O-N 2.94Å; S418-D422 VanDerWaalsContact O-CB 3.24Å; S418-D422 WeakPolarHBondContact O-CB 3.07Å; S418-D422 PolarHBondContact O-N 3.19Å
419V98.4Very high98.4Very high2 Ų254 Ų541%0.01227%0.272CS..Hα-helixtrans-63.2-34.2-179.8165.30000112.8A357 P376 V378 V400 S415 L416 Y425A357-V419 HydrophobicContact CB-CG1 4.02Å; P376-V419 HydrophobicContact CB-CG1 3.64Å; P376-V419 HydrophobicContact CG-CG1 3.63Å; V378-V419 HydrophobicContact CG2-CB 3.94Å; V378-V419 HydrophobicContact CG2-CG1 4.34Å; V378-V419 HydrophobicContact CG2-CG2 3.69Å; V400-V419 HydrophobicContact CB-CG2 4.49Å; V400-V419 HydrophobicContact CG2-CG2 3.92Å; S415-V419 WeakPolarHBondContact O-CB 3.21Å; S415-V419 WeakPolarHBondContact O-CG2 3.42Å; S415-V419 PolarHBondContact O-N 2.94Å; L416-V419 PolarHBondContact O-N 3.33Å; V419-Y425 HydrophobicContact CB-CD2 4.44Å; V419-Y425 HydrophobicContact CG2-CD1 4.21Å; V419-Y425 HydrophobicContact CG2-CD2 4.11Å; V419-Y425 HydrophobicContact CG2-CE1 4.26Å; V419-Y425 HydrophobicContact CG2-CE2 4.17Å; V419-Y425 HydrophobicContact CG2-CG 4.13Å
420I98.6Very high98.5Very high30 Ų3057.8 Ų57.815%0.15428%0.284CS..Hα-helixtrans-74.9-41.5178.7-70.2166.6000111.5V292 L318 Q320 K356 A357 L416 S417 S418V292-I420 HydrophobicContact CG2-CD1 3.82Å; L318-I420 HydrophobicContact CD2-CD1 4.37Å; Q320-I420 HydrophobicContact CG-CD1 4.49Å; K356-I420 HydrophobicContact CB-CG1 4.13Å; K356-I420 HydrophobicContact CB-CG2 4.22Å; A357-I420 HydrophobicContact CB-CD1 4.41Å; A357-I420 HydrophobicContact CB-CG1 3.79Å; L416-I420 WeakPolarHBondContact O-CB 3.37Å; L416-I420 WeakPolarHBondContact O-CD1 3.34Å; L416-I420 WeakPolarHBondContact O-CG1 3.15Å; L416-I420 PolarHBondContact O-N 3.4Å; S417-I420 PolarHBondContact O-N 2.95Å; S418-I420 VanDerWaalsContact C-N 3.29Å; S418-I420 PolarHBondContact O-N 2.93Å
421N98.2Very high98.5Very high113 Ų11357.2 Ų57.260%0.60428%0.283SS*.Hα-helixtrans-97.2-27.7-168.3-64.8-46.3000114S417 S418 P423S417-N421 VanDerWaalsContact O-CB 3.25Å; S417-N421 WeakPolarHBondContact O-CB 3.39Å; S417-N421 VanDerWaalsContact O-CG 3.32Å; S417-N421 PolarHBondContact O-N 3.35Å; S417-N421 PolarHBondContact O-ND2 3.3Å; S417-N421 PolarHBondContact OG-ND2 3.44Å; S417-N421 VanDerWaalsContact OG-ND2 3.14Å; S418-N421 PolarHBondContact O-N 2.94Å; N421-P423 WeakPolarHBondContact O-CD 3.11Å
422D98.4Very high98.5Very high33 Ų3354 Ų5418%0.17627%0.267CS..  trans-82.9113.4176.5-174.8-21.6000110.2S418 R424 Y425S418-D422 VanDerWaalsContact O-CB 3.24Å; S418-D422 WeakPolarHBondContact O-CB 3.07Å; S418-D422 PolarHBondContact O-N 3.19Å; D422-R424 PolarHBondContact O-N 2.79Å; D422-R424 VanDerWaalsContact O-N 3.08Å; D422-R424 VanDerWaalsContact OD1-CB 3.25Å; D422-R424 WeakPolarHBondContact OD1-CB 3.47Å; D422-R424 VanDerWaalsContact OD1-CG 3.25Å; D422-R424 WeakPolarHBondContact OD1-CG 3.34Å; D422-R424 PolarHBondContact OD1-N 2.81Å; D422-R424 IonicContact OD1-NE 3.61Å; D422-R424 PolarHBondContact OD1-NE 3.33Å; D422-R424 IonicContact OD2-CZ 3.24Å; D422-R424 IonicContact OD2-NE 2.72Å; D422-R424 PolarHBondContact OD2-NE 2.82Å; D422-R424 IonicContact OD2-NH2 3.2Å; D422-R424 PolarHBondContact OD2-NH2 3.34Å; D422-Y425 HydrophobicContact CB-CD2 3.95Å; D422-Y425 HydrophobicContact CB-CE2 4.14Å; D422-Y425 PolarHBondContact O-N 2.85Å
423P98.1Very high98.5Very high75 Ų7554.3 Ų54.349%0.48727%0.268SS..Hα-helixtrans-63.8-19.6-175.427.2-35.8000113.3N421 Y425 R426 Q427N421-P423 WeakPolarHBondContact O-CD 3.11Å; P423-Y425 VanDerWaalsContact C-N 3.31Å; P423-Y425 PolarHBondContact O-N 2.89Å; P423-R426 PolarHBondContact O-N 2.96Å; P423-Q427 WeakPolarHBondContact O-CB 3.42Å; P423-Q427 VanDerWaalsContact O-CG 3.24Å; P423-Q427 WeakPolarHBondContact O-CG 3.45Å; P423-Q427 PolarHBondContact O-N 3.22Å
424R98.6Very high98.5Very high166 Ų16656.4 Ų56.463%0.62628%0.284SS*.Hα-helixtrans-59.1-41.3-179-66.1-179.3-63157.7-0.3111.8D422 R426 Q427 Q428D422-R424 PolarHBondContact O-N 2.79Å; D422-R424 VanDerWaalsContact O-N 3.08Å; D422-R424 VanDerWaalsContact OD1-CB 3.25Å; D422-R424 WeakPolarHBondContact OD1-CB 3.47Å; D422-R424 VanDerWaalsContact OD1-CG 3.25Å; D422-R424 WeakPolarHBondContact OD1-CG 3.34Å; D422-R424 PolarHBondContact OD1-N 2.81Å; D422-R424 IonicContact OD1-NE 3.61Å; D422-R424 PolarHBondContact OD1-NE 3.33Å; D422-R424 IonicContact OD2-CZ 3.24Å; D422-R424 IonicContact OD2-NE 2.72Å; D422-R424 PolarHBondContact OD2-NE 2.82Å; D422-R424 IonicContact OD2-NH2 3.2Å; D422-R424 PolarHBondContact OD2-NH2 3.34Å; R424-R426 PolarHBondContact O-N 2.86Å; R424-Q427 PolarHBondContact O-N 3.32Å; R424-Q428 WeakPolarHBondContact O-CB 3.32Å; R424-Q428 PolarHBondContact O-N 2.94Å
425Y98.8Very high98.4Very high43 Ų4357.9 Ų57.917%0.16928%0.284CS..Hα-helixtrans-62.7-45.8178-68-73.5000111.7G397 V400 V419 D422 P423 Q428 A429G397-Y425 WeakPolarHBondContact O-CD1 3.48Å; V400-Y425 HydrophobicContact CG2-CE1 3.84Å; V400-Y425 WeakPolarHBondContact CG2-OH 3.38Å; V419-Y425 HydrophobicContact CB-CD2 4.44Å; V419-Y425 HydrophobicContact CG2-CD1 4.21Å; V419-Y425 HydrophobicContact CG2-CD2 4.11Å; V419-Y425 HydrophobicContact CG2-CE1 4.26Å; V419-Y425 HydrophobicContact CG2-CE2 4.17Å; V419-Y425 HydrophobicContact CG2-CG 4.13Å; D422-Y425 HydrophobicContact CB-CD2 3.95Å; D422-Y425 HydrophobicContact CB-CE2 4.14Å; D422-Y425 PolarHBondContact O-N 2.85Å; P423-Y425 VanDerWaalsContact C-N 3.31Å; P423-Y425 PolarHBondContact O-N 2.89Å; Y425-Q428 PolarHBondContact O-N 2.87Å; Y425-A429 WeakPolarHBondContact O-CB 3.23Å; Y425-A429 PolarHBondContact O-N 3.2Å
426R98.4Very high98.2Very high52 Ų5257.5 Ų57.520%0.19628%0.28CS..Hα-helixtrans-68.4-39.9179.2-172.665.3-174.3-143.212.6112.2T355 G374 P423 R424 Q428 A429 R430T355-R426 PolarHBondContact O-NH1 3.48Å; G374-R426 WeakPolarHBondContact O-CD 3.32Å; G374-R426 PolarHBondContact O-NE 3.17Å; G374-R426 PolarHBondContact O-NH2 3.14Å; P423-R426 PolarHBondContact O-N 2.96Å; R424-R426 PolarHBondContact O-N 2.86Å; R426-Q428 VanDerWaalsContact C-N 3.32Å; R426-A429 PolarHBondContact O-N 2.8Å; R426-R430 WeakPolarHBondContact O-CB 3.22Å; R426-R430 WeakPolarHBondContact O-CG 3.24Å; R426-R430 PolarHBondContact O-N 3.29Å
427Q98.7Very high98.1Very high122 Ų12262.1 Ų62.157%0.5730%0.301SS*.Hα-helixtrans-60.8-45.1175.5-74.3172.75.600110.6P423 R424 R430 L431P423-Q427 WeakPolarHBondContact O-CB 3.42Å; P423-Q427 VanDerWaalsContact O-CG 3.24Å; P423-Q427 WeakPolarHBondContact O-CG 3.45Å; P423-Q427 PolarHBondContact O-N 3.22Å; R424-Q427 PolarHBondContact O-N 3.32Å; Q427-R430 PolarHBondContact O-N 2.61Å; Q427-L431 PolarHBondContact O-N 3.27Å
428Q98.6Very high97.9Very high61 Ų6167.3 Ų67.329%0.28533%0.325SS..Hα-helixtrans-67.9-41.7179-168.458.922.500112.2K396 G397 R424 Y425 R426 R430 L431 L432K396-Q428 WeakPolarHBondContact O-CG 3.39Å; K396-Q428 PolarHBondContact O-NE2 3.38Å; G397-Q428 WeakPolarHBondContact O-CB 3.47Å; R424-Q428 WeakPolarHBondContact O-CB 3.32Å; R424-Q428 PolarHBondContact O-N 2.94Å; Y425-Q428 PolarHBondContact O-N 2.87Å; R426-Q428 VanDerWaalsContact C-N 3.32Å; Q428-R430 VanDerWaalsContact C-N 3.31Å; Q428-R430 PolarHBondContact O-N 2.96Å; Q428-L431 WeakPolarHBondContact O-CB 3.42Å; Q428-L431 PolarHBondContact O-N 3.07Å; Q428-L432 WeakPolarHBondContact O-CG 3.2Å; Q428-L432 PolarHBondContact O-N 2.9Å
429A98.6Very high97.5Very high0 Ų067.1 Ų67.10%032%0.32CS..Hα-helixtrans-58.3-42.6172.700000112G374 P376 M398 Y425 R426 L432 S433G374-A429 VanDerWaalsContact C-CB 3.5Å; G374-A429 WeakPolarHBondContact CA-O 3.15Å; G374-A429 WeakPolarHBondContact O-CB 3.49Å; P376-A429 HydrophobicContact CB-CB 4.4Å; M398-A429 HydrophobicContact CG-CB 3.72Å; M398-A429 HydrophobicContact SD-CB 4.26Å; Y425-A429 WeakPolarHBondContact O-CB 3.23Å; Y425-A429 PolarHBondContact O-N 3.2Å; R426-A429 PolarHBondContact O-N 2.8Å; A429-L432 PolarHBondContact O-N 3.43Å; A429-S433 WeakPolarHBondContact O-CB 3.4Å; A429-S433 PolarHBondContact O-N 3.49Å
430R98.6Very high97Very high144 Ų14472.7 Ų72.754%0.54336%0.356SS..Hα-helixtrans-67.4-38.6175.7-75.5176.2173.4169.61.1112.7R426 Q427 Q428 S433 N434R426-R430 WeakPolarHBondContact O-CB 3.22Å; R426-R430 WeakPolarHBondContact O-CG 3.24Å; R426-R430 PolarHBondContact O-N 3.29Å; Q427-R430 PolarHBondContact O-N 2.61Å; Q428-R430 VanDerWaalsContact C-N 3.31Å; Q428-R430 PolarHBondContact O-N 2.96Å; R430-S433 WeakPolarHBondContact O-CB 3.1Å; R430-S433 PolarHBondContact O-N 3.44Å; R430-N434 VanDerWaalsContact O-CG 3.25Å; R430-N434 PolarHBondContact O-N 3.03Å; R430-N434 PolarHBondContact O-ND2 3.4Å
431L98.6Very high96.5Very high83 Ų8373.3 Ų73.344%0.43537%0.37SS..Hα-helixtrans-59.7-50.1174.1175.562.3000110.7Q427 Q428 S433 N434 I435Q427-L431 PolarHBondContact O-N 3.27Å; Q428-L431 WeakPolarHBondContact O-CB 3.42Å; Q428-L431 PolarHBondContact O-N 3.07Å; L431-S433 VanDerWaalsContact C-N 3.33Å; L431-S433 PolarHBondContact O-N 3.11Å; L431-N434 PolarHBondContact O-N 3.09Å; L431-I435 HydrophobicContact CD1-CD1 4.07Å; L431-I435 HydrophobicContact CD1-CG1 4.47Å; L431-I435 HydrophobicContact CG-CD1 4.04Å; L431-I435 WeakPolarHBondContact O-CG1 3.44Å; L431-I435 PolarHBondContact O-N 3.47Å
432L98.3Very high96.3Very high5 Ų571.1 Ų71.13%0.02636%0.356CS..Hα-helixtrans-63.5-38.3177.2-63.8179.3000111.9A250 M371 K396 M398 Q428 A429 N434 I435 H436A250-L432 HydrophobicContact CB-CD2 4.39Å; M371-L432 HydrophobicContact CG-CB 3.8Å; M371-L432 HydrophobicContact SD-CB 3.85Å; M371-L432 HydrophobicContact SD-CD1 4.36Å; K396-L432 HydrophobicContact CB-CD1 3.89Å; M398-L432 HydrophobicContact CB-CD1 3.82Å; M398-L432 HydrophobicContact CG-CD1 4.32Å; M398-L432 HydrophobicContact SD-CD1 3.91Å; Q428-L432 WeakPolarHBondContact O-CG 3.2Å; Q428-L432 PolarHBondContact O-N 2.9Å; A429-L432 PolarHBondContact O-N 3.43Å; L432-N434 VanDerWaalsContact C-N 3.32Å; L432-N434 PolarHBondContact O-N 3.25Å; L432-I435 PolarHBondContact O-N 2.72Å; L432-H436 WeakPolarHBondContact O-CB 3.44Å; L432-H436 PolarHBondContact O-N 3.14Å
433S98.2Very high96.2Very high6 Ų670 Ų704%0.04235%0.35CS..Hα-helixtrans-55-47.5172.6-175.80000112M371 Y372 A429 R430 L431 H436 K437M371-S433 WeakPolarHBondContact O-CA 3.32Å; M371-S433 WeakPolarHBondContact O-CB 3.31Å; M371-S433 PolarHBondContact O-OG 2.96Å; Y372-S433 PolarHBondContact O-OG 3.39Å; A429-S433 WeakPolarHBondContact O-CB 3.4Å; A429-S433 PolarHBondContact O-N 3.49Å; R430-S433 WeakPolarHBondContact O-CB 3.1Å; R430-S433 PolarHBondContact O-N 3.44Å; L431-S433 VanDerWaalsContact C-N 3.33Å; L431-S433 PolarHBondContact O-N 3.11Å; S433-H436 PolarHBondContact O-N 3.4Å; S433-K437 WeakPolarHBondContact O-CB 3.45Å; S433-K437 WeakPolarHBondContact O-CG 3.48Å; S433-K437 PolarHBondContact O-N 3.45Å; S433-K437 PolarHBondContact OG-NZ 2.89Å
434N97.7Very high96Very high105 Ų10567 Ų6756%0.56133%0.331SS*.Hα-helixtrans-64.3-47.2-179.6-68.8-16.1000111.1R430 L431 L432 H436 K437 D438R430-N434 VanDerWaalsContact O-CG 3.25Å; R430-N434 PolarHBondContact O-N 3.03Å; R430-N434 PolarHBondContact O-ND2 3.4Å; L431-N434 PolarHBondContact O-N 3.09Å; L432-N434 VanDerWaalsContact C-N 3.32Å; L432-N434 PolarHBondContact O-N 3.25Å; N434-H436 VanDerWaalsContact C-N 3.32Å; N434-H436 PolarHBondContact O-N 3.17Å; N434-K437 PolarHBondContact O-N 3.31Å; N434-D438 VanDerWaalsContact O-CB 3.25Å; N434-D438 WeakPolarHBondContact O-CB 3.46Å; N434-D438 PolarHBondContact O-N 3.06Å
435I97Very high95.9Very high80 Ų8062.9 Ų62.941%0.4132%0.324SS..Hα-helixtrans-62.1-41.5177-62.7166.1000110.8A250 L431 L432 K437 D438A250-I435 HydrophobicContact CB-CB 4.15Å; A250-I435 HydrophobicContact CB-CG2 3.82Å; L431-I435 HydrophobicContact CD1-CD1 4.07Å; L431-I435 HydrophobicContact CD1-CG1 4.47Å; L431-I435 HydrophobicContact CG-CD1 4.04Å; L431-I435 WeakPolarHBondContact O-CG1 3.44Å; L431-I435 PolarHBondContact O-N 3.47Å; L432-I435 PolarHBondContact O-N 2.72Å; I435-K437 PolarHBondContact O-N 3.37Å; I435-D438 PolarHBondContact O-N 3.43Å
436H95.9Very high95.7Very high9 Ų962.2 Ų62.24%0.04232%0.321CS..Hα-helixtrans-64.5-40.6-179.5-17966000112.2D248 A250 G265 Y368 M371 L432 S433 N434 Q439D248-H436 VanDerWaalsContact CG-ND1 3.32Å; D248-H436 IonicContact OD1-CE1 3.83Å; D248-H436 IonicContact OD1-CG 3.49Å; D248-H436 IonicContact OD1-ND1 3.85Å; D248-H436 PolarHBondContact OD1-ND1 3.48Å; D248-H436 IonicContact OD2-ND1 3.97Å; A250-H436 HydrophobicContact CB-CB 4.2Å; G265-H436 PolarHBondContact O-CE1 3.27Å; Y368-H436 AromaticContact CD1-CE1 3.61Å; Y368-H436 AromaticContact CE1-CE1 3.8Å; M371-H436 HydrophobicContact CE-CB 4.01Å; L432-H436 WeakPolarHBondContact O-CB 3.44Å; L432-H436 PolarHBondContact O-N 3.14Å; S433-H436 PolarHBondContact O-N 3.4Å; N434-H436 VanDerWaalsContact C-N 3.32Å; N434-H436 PolarHBondContact O-N 3.17Å; H436-Q439 WeakPolarHBondContact O-CG 3.33Å; H436-Q439 PolarHBondContact O-NE2 3.03Å
437K95Very high95.6Very high98 Ų9859.7 Ų59.743%0.42631%0.312SS..Hα-helixtrans-77.4-29.9178.8-72171.5178.7164.80113Y372 S433 N434 I435 Q439Y372-K437 HydrophobicContact CD2-CG 4.07Å; Y372-K437 HydrophobicContact CE2-CD 4.31Å; Y372-K437 HydrophobicContact CE2-CG 3.92Å; Y372-K437 WeakPolarHBondContact O-CE 3.28Å; Y372-K437 PolarHBondContact O-NZ 3.13Å; S433-K437 WeakPolarHBondContact O-CB 3.45Å; S433-K437 WeakPolarHBondContact O-CG 3.48Å; S433-K437 PolarHBondContact O-N 3.45Å; S433-K437 PolarHBondContact OG-NZ 2.89Å; N434-K437 PolarHBondContact O-N 3.31Å; I435-K437 PolarHBondContact O-N 3.37Å; K437-Q439 VanDerWaalsContact C-N 3.26Å; K437-Q439 PolarHBondContact O-N 3.34Å
438D94.7Very high95.5Very high141 Ų14154.6 Ų54.675%0.75429%0.289SS*.SBendtrans-81.871.2180-169.318.3000111.4N434 I435N434-D438 VanDerWaalsContact O-CB 3.25Å; N434-D438 WeakPolarHBondContact O-CB 3.46Å; N434-D438 PolarHBondContact O-N 3.06Å; I435-D438 PolarHBondContact O-N 3.43Å
439Q90.6Very high95.3Very high42 Ų4257.5 Ų57.520%0.19630%0.298CS..SBendtrans-137.5164.7177.8-57.9-175.229.300110.6H436 K437 G441 R446H436-Q439 WeakPolarHBondContact O-CG 3.33Å; H436-Q439 PolarHBondContact O-NE2 3.03Å; K437-Q439 VanDerWaalsContact C-N 3.26Å; K437-Q439 PolarHBondContact O-N 3.34Å; Q439-G441 VanDerWaalsContact C-N 3.26Å; Q439-G441 PolarHBondContact O-N 3.49Å; Q439-R446 VanDerWaalsContact OE1-CZ 3.28Å
440P88.3Confident95.2Very high118 Ų11860 Ų6077%0.76631%0.307SS*.SBendtrans-65.481.4176.7-20.633.9000112.3R446P440-R446 PolarHBondContact O-NE 2.99Å
441G88.3Confident95.1Very high44 Ų4453.1 Ų53.145%0.45428%0.281SS..SBendtrans78169.1-179.100000114.9Q439 R446Q439-G441 VanDerWaalsContact C-N 3.26Å; Q439-G441 PolarHBondContact O-N 3.49Å; G441-R446 PolarHBondContact O-NH2 3.24Å
442H93.7Very high94.9Very high66 Ų6649.4 Ų49.431%0.30626%0.264SS..  trans-61.9146.2175.1-168.4-100000110.8T269 V444 T445 R446T269-H442 PolarHBondContact O-CE1 2.82Å; T269-H442 PolarHBondContact O-NE2 3.34Å; H442-V444 PolarHBondContact ND1-N 2.9Å; H442-V444 PolarHBondContact O-N 3.09Å; H442-V444 VanDerWaalsContact O-N 3.12Å; H442-T445 PolarHBondContact N-OG1 3.41Å; H442-T445 VanDerWaalsContact N-OG1 3.11Å; H442-T445 PolarHBondContact O-N 3.33Å; H442-T445 PolarHBondContact O-OG1 3.36Å; H442-R446 PolarHBondContact O-N 2.93Å
443P94.9Very high94.8Very high9 Ų951 Ų516%0.05827%0.27CS..Hα-helixtrans-50.8-38.7178.8-30.536.1000114.1I264 G265 I267 R446 A447I264-P443 HydrophobicContact CB-CB 4.42Å; G265-P443 WeakPolarHBondContact O-CB 3.39Å; G265-P443 WeakPolarHBondContact O-CG 3.4Å; I267-P443 HydrophobicContact CD1-CB 3.91Å; I267-P443 HydrophobicContact CG1-CB 4.43Å; P443-R446 PolarHBondContact O-N 3Å; P443-A447 PolarHBondContact O-N 3.25Å
444V95.7Very high94.6Very high13 Ų1350.8 Ų50.88%0.07927%0.268CS..Hα-helixtrans-62.6-51.6176.5176.30000111.5T43 A47 I267 H442 R446 A447 V448T43-V444 HydrophobicContact CG2-CG2 3.91Å; A47-V444 HydrophobicContact CB-CG1 3.28Å; I267-V444 HydrophobicContact CB-CG2 4.43Å; I267-V444 HydrophobicContact CD1-CB 4.47Å; I267-V444 HydrophobicContact CD1-CG2 3.89Å; I267-V444 HydrophobicContact CG2-CG2 3.9Å; I267-V444 VanDerWaalsContact O-CG2 3.29Å; I267-V444 WeakPolarHBondContact O-CG2 3.21Å; H442-V444 PolarHBondContact ND1-N 2.9Å; H442-V444 PolarHBondContact O-N 3.09Å; H442-V444 VanDerWaalsContact O-N 3.12Å; V444-R446 PolarHBondContact O-N 3.26Å; V444-A447 WeakPolarHBondContact O-CB 3.49Å; V444-A447 PolarHBondContact O-N 3.14Å; V444-V448 WeakPolarHBondContact O-CG2 3.46Å; V444-V448 PolarHBondContact O-N 3.41Å
445T94.9Very high94.5Very high79 Ų7946.9 Ų46.949%0.48525%0.247SC..Hα-helixtrans-62.5-33.3179.449.90000111.7H442 V448 Y449H442-T445 PolarHBondContact N-OG1 3.41Å; H442-T445 VanDerWaalsContact N-OG1 3.11Å; H442-T445 PolarHBondContact O-N 3.33Å; H442-T445 PolarHBondContact O-OG1 3.36Å; T445-V448 PolarHBondContact O-N 3.11Å; T445-Y449 WeakPolarHBondContact O-CB 3.26Å; T445-Y449 PolarHBondContact O-N 3.43Å
446R95.1Very high94.3Very high29 Ų2949.1 Ų49.111%0.10925%0.25CS..Hα-helixtrans-68.6-44.2175.7-164-177.9-511549.8111.8V262 Y263 Q439 P440 G441 H442 P443 V444 V448 Y449 W450V262-R446 HydrophobicContact CG1-CG 4.31Å; Y263-R446 PolarHBondContact O-NH1 2.81Å; Q439-R446 VanDerWaalsContact OE1-CZ 3.28Å; P440-R446 PolarHBondContact O-NE 2.99Å; G441-R446 PolarHBondContact O-NH2 3.24Å; H442-R446 PolarHBondContact O-N 2.93Å; P443-R446 PolarHBondContact O-N 3Å; V444-R446 PolarHBondContact O-N 3.26Å; R446-V448 VanDerWaalsContact C-N 3.33Å; R446-V448 PolarHBondContact O-N 3.04Å; R446-Y449 WeakPolarHBondContact O-CB 3.45Å; R446-Y449 PolarHBondContact O-N 3.14Å; R446-W450 PolarHBondContact O-N 3.32Å
447A96.1Very high94.2Very high0 Ų052.9 Ų52.90%027%0.268CS..Hα-helixtrans-58.4-47174.200000111.1L44 F161 M244 I264 P443 V444 Y449 W450 I451L44-A447 HydrophobicContact CD1-CB 3.86Å; F161-A447 HydrophobicContact CE2-CB 4.04Å; M244-A447 HydrophobicContact SD-CB 4.31Å; I264-A447 HydrophobicContact CD1-CB 4.26Å; I264-A447 HydrophobicContact CG2-CB 4.2Å; P443-A447 PolarHBondContact O-N 3.25Å; V444-A447 WeakPolarHBondContact O-CB 3.49Å; V444-A447 PolarHBondContact O-N 3.14Å; A447-Y449 PolarHBondContact O-N 2.86Å; A447-W450 PolarHBondContact O-N 3.41Å; A447-I451 WeakPolarHBondContact O-CB 3.27Å; A447-I451 VanDerWaalsContact O-CG1 3.27Å; A447-I451 WeakPolarHBondContact O-CG1 3.24Å; A447-I451 PolarHBondContact O-N 3.31Å
448V96.3Very high93.8Very high14 Ų1452.1 Ų52.19%0.08527%0.274CS..Hα-helixtrans-60.2-44.8176.6173.30000111.6L44 A47 L48 E51 V444 T445 R446 W450 I451 G452L44-V448 HydrophobicContact CD1-CG2 4.03Å; A47-V448 HydrophobicContact CB-CG2 3.78Å; L48-V448 HydrophobicContact CD2-CB 4.46Å; L48-V448 HydrophobicContact CD2-CG1 4.23Å; L48-V448 HydrophobicContact CD2-CG2 4.02Å; L48-V448 HydrophobicContact CG-CG2 4.18Å; E51-V448 HydrophobicContact CB-CG1 4.24Å; E51-V448 HydrophobicContact CG-CG1 3.58Å; V444-V448 WeakPolarHBondContact O-CG2 3.46Å; V444-V448 PolarHBondContact O-N 3.41Å; T445-V448 PolarHBondContact O-N 3.11Å; R446-V448 VanDerWaalsContact C-N 3.33Å; R446-V448 PolarHBondContact O-N 3.04Å; V448-W450 PolarHBondContact O-N 2.74Å; V448-I451 PolarHBondContact O-N 3.33Å; V448-G452 PolarHBondContact O-N 2.91Å
449Y95.5Very high93.3Very high122 Ų12245.4 Ų45.448%0.47824%0.239SC..Hα-helixtrans-55.6-48.5175169-93.5000112.1T445 R446 A447 G452 Y453T445-Y449 WeakPolarHBondContact O-CB 3.26Å; T445-Y449 PolarHBondContact O-N 3.43Å; R446-Y449 WeakPolarHBondContact O-CB 3.45Å; R446-Y449 PolarHBondContact O-N 3.14Å; A447-Y449 PolarHBondContact O-N 2.86Å; Y449-G452 CarbonylContact O-C 3.56Å; Y449-G452 PolarHBondContact O-N 3.46Å; Y449-Y453 HydrophobicContact CE1-CD2 4.39Å; Y449-Y453 WeakPolarHBondContact O-CB 3.37Å; Y449-Y453 PolarHBondContact O-N 2.83Å
450W95.8Very high93.4Very high52 Ų5243.5 Ų43.520%0.19723%0.23CC..Hα-helixtrans-70.8-36.3-177.9-80.4109.8000113L242 V262 R446 A447 V448 G452 Y453 I454 L463L242-W450 HydrophobicContact CD1-CE3 4.25Å; L242-W450 HydrophobicContact CD2-CB 3.63Å; L242-W450 HydrophobicContact CD2-CD2 4.17Å; L242-W450 HydrophobicContact CD2-CE3 4.1Å; L242-W450 HydrophobicContact CD2-CG 4.02Å; V262-W450 HydrophobicContact CG1-CG 4.23Å; V262-W450 VanDerWaalsContact CG1-NE1 3.34Å; V262-W450 HydrophobicContact CG2-CD2 3.68Å; V262-W450 VanDerWaalsContact CG2-CE2 3.46Å; V262-W450 HydrophobicContact CG2-CE3 4.35Å; V262-W450 HydrophobicContact CG2-CG 3.86Å; V262-W450 HydrophobicContact CG2-CZ2 3.95Å; R446-W450 PolarHBondContact O-N 3.32Å; A447-W450 PolarHBondContact O-N 3.41Å; V448-W450 PolarHBondContact O-N 2.74Å; W450-G452 VanDerWaalsContact C-N 3.35Å; W450-Y453 HydrophobicContact CE3-CD1 4.07Å; W450-Y453 HydrophobicContact CE3-CG 4.13Å; W450-Y453 AromaticContact CZ3-CD1 3.97Å; W450-Y453 HydrophobicContact CZ3-CD1 3.97Å; W450-Y453 HydrophobicContact CZ3-CE1 4.23Å; W450-Y453 HydrophobicContact CZ3-CG 4.24Å; W450-Y453 WeakPolarHBondContact O-CB 3.44Å; W450-Y453 PolarHBondContact O-N 2.95Å; W450-I454 VanDerWaalsContact O-CG1 3.29Å; W450-I454 WeakPolarHBondContact O-CG1 3.39Å; W450-I454 PolarHBondContact O-N 3.4Å; W450-L463 HydrophobicContact CH2-CD1 4.34Å; W450-L463 HydrophobicContact CZ3-CD1 3.69Å
451I96.3Very high93.6Very high0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-59-49.2170.3-73.1165.3000109.9I26 L44 L48 L137 L139 M244 A447 V448 Y453 I454 L455I26-I451 HydrophobicContact CD1-CG2 3.62Å; L44-I451 HydrophobicContact CD1-CD1 4.12Å; L44-I451 HydrophobicContact CD2-CD1 4.07Å; L44-I451 HydrophobicContact CG-CD1 4.5Å; L48-I451 HydrophobicContact CD1-CD1 4.29Å; L48-I451 HydrophobicContact CD2-CB 4.4Å; L48-I451 HydrophobicContact CD2-CD1 4.11Å; L48-I451 HydrophobicContact CD2-CG2 3.92Å; L137-I451 HydrophobicContact CD2-CG2 3.83Å; L139-I451 HydrophobicContact CD1-CD1 3.87Å; L139-I451 HydrophobicContact CD2-CD1 4.33Å; L139-I451 HydrophobicContact CD2-CG1 4.28Å; M244-I451 HydrophobicContact CE-CD1 4.36Å; M244-I451 HydrophobicContact CE-CG1 4Å; M244-I451 HydrophobicContact SD-CD1 4.44Å; M244-I451 HydrophobicContact SD-CG1 4.1Å; A447-I451 WeakPolarHBondContact O-CB 3.27Å; A447-I451 VanDerWaalsContact O-CG1 3.27Å; A447-I451 WeakPolarHBondContact O-CG1 3.24Å; A447-I451 PolarHBondContact O-N 3.31Å; V448-I451 PolarHBondContact O-N 3.33Å; I451-Y453 VanDerWaalsContact C-N 3.27Å; I451-Y453 PolarHBondContact O-N 3.49Å; I451-I454 PolarHBondContact O-N 3.2Å; I451-L455 HydrophobicContact CG2-CD1 4.17Å; I451-L455 WeakPolarHBondContact O-CG 3.46Å; I451-L455 PolarHBondContact O-N 2.81Å; I451-L455 VanDerWaalsContact O-N 3.11Å
452G95.4Very high93.8Very high6 Ų646.3 Ų46.36%0.06222%0.224CC..Hα-helixtrans-60.4-36.7174.200000112.7V448 Y449 W450 L455 R456V448-G452 PolarHBondContact O-N 2.91Å; Y449-G452 CarbonylContact O-C 3.56Å; Y449-G452 PolarHBondContact O-N 3.46Å; W450-G452 VanDerWaalsContact C-N 3.35Å; G452-L455 PolarHBondContact O-N 2.96Å; G452-R456 VanDerWaalsContact C-NH1 3.32Å; G452-R456 WeakPolarHBondContact O-CB 3.32Å; G452-R456 VanDerWaalsContact O-CG 3.3Å; G452-R456 WeakPolarHBondContact O-CG 3.48Å; G452-R456 PolarHBondContact O-N 2.85Å; G452-R456 PolarHBondContact O-NH1 3.29Å
453Y95.2Very high93.9Very high39 Ų3944.2 Ų44.215%0.15322%0.215CC..Hα-helixtrans-63-47.6177.5-171-86.3000111.9Y449 W450 I451 L455 R456 H457 A460 H462 L463Y449-Y453 HydrophobicContact CE1-CD2 4.39Å; Y449-Y453 WeakPolarHBondContact O-CB 3.37Å; Y449-Y453 PolarHBondContact O-N 2.83Å; W450-Y453 HydrophobicContact CE3-CD1 4.07Å; W450-Y453 HydrophobicContact CE3-CG 4.13Å; W450-Y453 AromaticContact CZ3-CD1 3.97Å; W450-Y453 HydrophobicContact CZ3-CD1 3.97Å; W450-Y453 HydrophobicContact CZ3-CE1 4.23Å; W450-Y453 HydrophobicContact CZ3-CG 4.24Å; W450-Y453 WeakPolarHBondContact O-CB 3.44Å; W450-Y453 PolarHBondContact O-N 2.95Å; I451-Y453 VanDerWaalsContact C-N 3.27Å; I451-Y453 PolarHBondContact O-N 3.49Å; Y453-L455 VanDerWaalsContact C-N 3.32Å; Y453-L455 PolarHBondContact O-N 3.38Å; Y453-R456 PolarHBondContact O-N 2.8Å; Y453-H457 AromaticContact CD1-CD2 3.85Å; Y453-H457 AromaticContact CD2-CD2 3.73Å; Y453-H457 AromaticContact CD2-NE2 3.98Å; Y453-H457 AromaticContact CE1-CD2 3.7Å; Y453-H457 AromaticContact CE2-CD2 3.57Å; Y453-H457 AromaticContact CE2-NE2 3.63Å; Y453-H457 AromaticContact CG-CD2 3.85Å; Y453-H457 AromaticContact CZ-CD2 3.55Å; Y453-H457 AromaticContact CZ-NE2 3.94Å; Y453-H457 WeakPolarHBondContact O-CB 3.49Å; Y453-H457 PolarHBondContact O-CD2 3.29Å; Y453-H457 PolarHBondContact O-N 3Å; Y453-A460 HydrophobicContact CD1-CB 3.96Å; Y453-A460 HydrophobicContact CE1-CB 3.76Å; Y453-H462 AromaticContact CE1-CE1 3.77Å; Y453-H462 AromaticContact CE1-NE2 3.78Å; Y453-H462 AromaticContact CZ-CE1 3.97Å; Y453-H462 AromaticContact CZ-NE2 3.73Å; Y453-H462 PolarHBondContact OH-CE1 3.17Å; Y453-H462 PolarHBondContact OH-NE2 3.19Å; Y453-L463 HydrophobicContact CE1-CD1 4.03Å
454I94.6Very high93.7Very high0 Ų047.4 Ų47.40%023%0.226CC..Hα-helixtrans-59-45.7176.3-65.5169.1000110.2L137 A159 R241 L242 W450 I451 R456 H457 S458 G459L137-I454 HydrophobicContact CD1-CG2 3.99Å; A159-I454 HydrophobicContact CB-CD1 3.74Å; R241-I454 HydrophobicContact CB-CG2 4.28Å; L242-I454 HydrophobicContact CB-CD1 3.44Å; L242-I454 VanDerWaalsContact CB-CD1 3.44Å; L242-I454 HydrophobicContact CB-CG1 4.25Å; L242-I454 HydrophobicContact CD2-CD1 3.8Å; L242-I454 HydrophobicContact CD2-CG1 4.41Å; L242-I454 HydrophobicContact CG-CD1 4.21Å; W450-I454 VanDerWaalsContact O-CG1 3.29Å; W450-I454 WeakPolarHBondContact O-CG1 3.39Å; W450-I454 PolarHBondContact O-N 3.4Å; I451-I454 PolarHBondContact O-N 3.2Å; I454-R456 PolarHBondContact O-N 3.03Å; I454-H457 CarbonylContact O-C 3.55Å; I454-H457 PolarHBondContact O-N 3.36Å; I454-S458 PolarHBondContact O-N 3.05Å; I454-S458 VanDerWaalsContact O-N 3.14Å; I454-G459 PolarHBondContact O-N 3.28Å
455L94.4Very high93.4Very high24 Ų2448.5 Ų48.513%0.12623%0.234CC..Hα-helixtrans-62.2-41.1178.5-71.1170.3000112.4I26 D136 L137 I451 G452 Y453I26-L455 HydrophobicContact CD1-CD1 4.48Å; D136-L455 HydrophobicContact CB-CD2 3.77Å; L137-L455 HydrophobicContact CB-CD2 3.97Å; I451-L455 HydrophobicContact CG2-CD1 4.17Å; I451-L455 WeakPolarHBondContact O-CG 3.46Å; I451-L455 PolarHBondContact O-N 2.81Å; I451-L455 VanDerWaalsContact O-N 3.11Å; G452-L455 PolarHBondContact O-N 2.96Å; Y453-L455 VanDerWaalsContact C-N 3.32Å; Y453-L455 PolarHBondContact O-N 3.38Å
456R93.7Very high93.3Very high127 Ų12747.4 Ų47.448%0.47923%0.233SC..Hα-helixtrans-70.7-31.4178.4-73.4-171.9-55-89.32.6113.4G452 Y453 I454G452-R456 VanDerWaalsContact C-NH1 3.32Å; G452-R456 WeakPolarHBondContact O-CB 3.32Å; G452-R456 VanDerWaalsContact O-CG 3.3Å; G452-R456 WeakPolarHBondContact O-CG 3.48Å; G452-R456 PolarHBondContact O-N 2.85Å; G452-R456 PolarHBondContact O-NH1 3.29Å; Y453-R456 PolarHBondContact O-N 2.8Å; I454-R456 PolarHBondContact O-N 3.03Å
457H93.2Very high93Very high88 Ų8847.7 Ų47.741%0.40724%0.238SC..THydrogen-bonded Turntrans-110.526.3-173.8-62.6-69000113.3Y453 I454 G459 A460Y453-H457 AromaticContact CD1-CD2 3.85Å; Y453-H457 AromaticContact CD2-CD2 3.73Å; Y453-H457 AromaticContact CD2-NE2 3.98Å; Y453-H457 AromaticContact CE1-CD2 3.7Å; Y453-H457 AromaticContact CE2-CD2 3.57Å; Y453-H457 AromaticContact CE2-NE2 3.63Å; Y453-H457 AromaticContact CG-CD2 3.85Å; Y453-H457 AromaticContact CZ-CD2 3.55Å; Y453-H457 AromaticContact CZ-NE2 3.94Å; Y453-H457 WeakPolarHBondContact O-CB 3.49Å; Y453-H457 PolarHBondContact O-CD2 3.29Å; Y453-H457 PolarHBondContact O-N 3Å; I454-H457 CarbonylContact O-C 3.55Å; I454-H457 PolarHBondContact O-N 3.36Å; H457-G459 PolarHBondContact O-N 3.07Å; H457-A460 PolarHBondContact O-N 3.41Å
458S86.9Confident92.6Very high81 Ų8149.3 Ų49.357%0.56624%0.244SC*.THydrogen-bonded Turntrans48.138.5175.6-58.20000113.5Q157 R241 I454Q157-S458 PolarHBondContact NE2-O 3.18Å; Q157-S458 PolarHBondContact OE1-O 2.91Å; R241-S458 PolarHBondContact NH1-O 2.98Å; I454-S458 PolarHBondContact O-N 3.05Å; I454-S458 VanDerWaalsContact O-N 3.14Å
459G84.9Confident92.3Very high1 Ų156 Ų561%0.0127%0.274CS..THydrogen-bonded Turntrans99.27177.600000116.1R241 I454 H457 N461R241-G459 WeakPolarHBondContact CB-O 3.26Å; I454-G459 PolarHBondContact O-N 3.28Å; H457-G459 PolarHBondContact O-N 3.07Å; G459-N461 PolarHBondContact O-N 3.3Å
460A92.4Very high92.2Very high1 Ų152.6 Ų52.61%0.00827%0.267CS..  trans5444.7169.600000114.9Y453 H457 H462 L463Y453-A460 HydrophobicContact CD1-CB 3.96Å; Y453-A460 HydrophobicContact CE1-CB 3.76Å; H457-A460 PolarHBondContact O-N 3.41Å; A460-H462 PolarHBondContact O-N 3.01Å; A460-L463 HydrophobicContact CB-CD1 3.9Å; A460-L463 HydrophobicContact CB-CG 4.28Å; A460-L463 WeakPolarHBondContact O-CB 3.46Å; A460-L463 PolarHBondContact O-N 3.38Å
461N91.5Very high92.1Very high102 Ų10252.1 Ų52.155%0.54527%0.27SS..G310 helixtrans-56.2-25.4-176-69.5-14.1000113.9R241 G459 L463 R464R241-N461 PolarHBondContact NH1-OD1 2.92Å; G459-N461 PolarHBondContact O-N 3.3Å; N461-L463 PolarHBondContact O-N 3.34Å; N461-R464 WeakPolarHBondContact O-CB 3.35Å; N461-R464 PolarHBondContact O-N 3.49Å
462H93.8Very high91.8Very high119 Ų11956.7 Ų56.755%0.55130%0.3SS*.G310 helixtrans-67.1-14.5176.261.1-79.8000114.2Y453 A460Y453-H462 AromaticContact CE1-CE1 3.77Å; Y453-H462 AromaticContact CE1-NE2 3.78Å; Y453-H462 AromaticContact CZ-CE1 3.97Å; Y453-H462 AromaticContact CZ-NE2 3.73Å; Y453-H462 PolarHBondContact OH-CE1 3.17Å; Y453-H462 PolarHBondContact OH-NE2 3.19Å; A460-H462 PolarHBondContact O-N 3.01Å
463L94.3Very high91.8Very high23 Ų2362.2 Ų62.212%0.1232%0.319CS..G310 helixtrans-86.7-11.9172.2-58.2178.1000112.4L242 P259 H260 W450 Y453 A460 N461L242-L463 HydrophobicContact CD1-CD1 4.26Å; P259-L463 HydrophobicContact CB-CB 4.37Å; P259-L463 HydrophobicContact CB-CD2 4.07Å; H260-L463 HydrophobicContact CB-CB 3.98Å; W450-L463 HydrophobicContact CH2-CD1 4.34Å; W450-L463 HydrophobicContact CZ3-CD1 3.69Å; Y453-L463 HydrophobicContact CE1-CD1 4.03Å; A460-L463 HydrophobicContact CB-CD1 3.9Å; A460-L463 HydrophobicContact CB-CG 4.28Å; A460-L463 WeakPolarHBondContact O-CB 3.46Å; A460-L463 PolarHBondContact O-N 3.38Å; N461-L463 PolarHBondContact O-N 3.34Å
464R91Very high91.8Very high76 Ų7664.2 Ų64.229%0.28733%0.33SS..  trans-75.5127.1-178.4-168.3178-17978.62.2109.9Q238 N461 Y468Q238-R464 VanDerWaalsContact O-CZ 3.28Å; Q238-R464 PolarHBondContact O-NH1 3.05Å; Q238-R464 PolarHBondContact O-NH2 3.49Å; N461-R464 WeakPolarHBondContact O-CB 3.35Å; N461-R464 PolarHBondContact O-N 3.49Å; R464-Y468 HydrophobicContact CG-CD2 3.89Å; R464-Y468 HydrophobicContact CG-CE2 4.22Å
465S90.3Very high91.7Very high35 Ų3569 Ų6925%0.24535%0.349CS..  trans-77.8147.8175.5176.30000111.8V467 Y468S465-V467 PolarHBondContact O-N 3.3Å; S465-V467 VanDerWaalsContact O-N 3.08Å; S465-V467 PolarHBondContact OG-N 3.17Å; S465-Y468 WeakPolarHBondContact O-CD2 3.24Å
466A91.7Very high91.7Very high56 Ų5675 Ų7546%0.46337%0.374SS..G310 helixtrans-64.5-8.4174.200000113.7Y468 E469 V470A466-Y468 PolarHBondContact O-N 3.47Å; A466-E469 PolarHBondContact O-N 2.83Å; A466-V470 HydrophobicContact CB-CG1 4.39Å; A466-V470 WeakPolarHBondContact O-CG2 3.42Å; A466-V470 PolarHBondContact O-N 3.47Å
467V90.4Very high91.8Very high35 Ų3574 Ų7421%0.21238%0.378CS..G310 helixtrans-54.5-25.917871.30000113.6L258 S465 Y475L258-V467 HydrophobicContact CD1-CG1 4.2Å; S465-V467 PolarHBondContact O-N 3.3Å; S465-V467 VanDerWaalsContact O-N 3.08Å; S465-V467 PolarHBondContact OG-N 3.17Å; V467-Y475 HydrophobicContact CG2-CD2 4.18Å; V467-Y475 HydrophobicContact CG2-CE2 3.83Å
468Y87.8Confident92Very high35 Ų3572.9 Ų72.914%0.13738%0.377CS..G310 helixtrans-82.4-13.8178.5-59.7-66000114.2E170 V171 Q238 H260 R464 S465 A466E170-Y468 WeakPolarHBondContact O-CE1 3.35Å; E170-Y468 PolarHBondContact O-OH 3.19Å; E170-Y468 VanDerWaalsContact O-OH 3.04Å; V171-Y468 PolarHBondContact O-OH 3.41Å; Q238-Y468 HydrophobicContact CB-CD1 3.88Å; Q238-Y468 HydrophobicContact CB-CE1 3.92Å; Q238-Y468 HydrophobicContact CG-CD1 3.97Å; Q238-Y468 HydrophobicContact CG-CE1 3.89Å; H260-Y468 AromaticContact NE2-CE2 3.79Å; H260-Y468 AromaticContact NE2-CZ 3.83Å; H260-Y468 PolarHBondContact NE2-OH 2.98Å; R464-Y468 HydrophobicContact CG-CD2 3.89Å; R464-Y468 HydrophobicContact CG-CE2 4.22Å; S465-Y468 WeakPolarHBondContact O-CD2 3.24Å; A466-Y468 PolarHBondContact O-N 3.47Å
469E90.1Very high92.5Very high153 Ų15372 Ų7272%0.71537%0.366SS*.THydrogen-bonded Turntrans-112.4-25.1-174.3-63.1175.6-171.600111.7A466A466-E469 PolarHBondContact O-N 2.83Å
470V92.5Very high93.2Very high52 Ų5275.4 Ų75.432%0.31539%0.387SS..SBendtrans-79127.4-179.5-66.60000112.3A466 Y475A466-V470 HydrophobicContact CB-CG1 4.39Å; A466-V470 WeakPolarHBondContact O-CG2 3.42Å; A466-V470 PolarHBondContact O-N 3.47Å; V470-Y475 HydrophobicContact CG2-CD2 4.28Å
471P92.7Very high93.4Very high42 Ų4281 Ų8127%0.27342%0.416SS..  trans-62.9152.9174.3-24.534.7000113Y473 Q474 Y475P471-Y473 VanDerWaalsContact C-N 3.29Å; P471-Y473 HydrophobicContact CB-CD1 3.67Å; P471-Y473 HydrophobicContact CB-CE1 3.28Å; P471-Y473 HydrophobicContact CG-CE1 3.89Å; P471-Y473 PolarHBondContact O-N 2.61Å; P471-Y473 VanDerWaalsContact O-N 3.15Å; P471-Q474 PolarHBondContact O-N 2.62Å; P471-Y475 PolarHBondContact O-N 2.68Å
472P91Very high93.7Very high95 Ų9581.3 Ų81.362%0.61742%0.417SS*.Hα-helixtrans-56-36.2-177.8-28.635.3000115Q474 Y475 F476P472-Q474 VanDerWaalsContact C-N 3.31Å; P472-Q474 PolarHBondContact O-N 2.94Å; P472-Y475 PolarHBondContact O-N 3.25Å; P472-F476 WeakPolarHBondContact O-CD2 2.96Å; P472-F476 PolarHBondContact O-N 3.36Å
473Y94.3Very high93.9Very high122 Ų12278.6 Ų78.648%0.47842%0.415SS..Hα-helixtrans-67.9-30.2179.867.5-93.9000112.7P471 L477 V478 D479P471-Y473 VanDerWaalsContact C-N 3.29Å; P471-Y473 HydrophobicContact CB-CD1 3.67Å; P471-Y473 HydrophobicContact CB-CE1 3.28Å; P471-Y473 HydrophobicContact CG-CE1 3.89Å; P471-Y473 PolarHBondContact O-N 2.61Å; P471-Y473 VanDerWaalsContact O-N 3.15Å; Y473-L477 PolarHBondContact O-N 2.88Å; Y473-V478 PolarHBondContact O-N 3.39Å; Y473-D479 HydrophobicContact CD2-CB 4.26Å
474Q95.7Very high94.1Very high81 Ų8182.1 Ų82.138%0.37944%0.437SS..Hα-helixtrans-77.8-42.1172.8-60.6-173.5-9.400110.4P471 P472 F476 L477P471-Q474 PolarHBondContact O-N 2.62Å; P472-Q474 VanDerWaalsContact C-N 3.31Å; P472-Q474 PolarHBondContact O-N 2.94Å; Q474-F476 VanDerWaalsContact C-N 3.29Å; Q474-F476 PolarHBondContact O-N 3.16Å; Q474-L477 WeakPolarHBondContact O-CD2 3.43Å; Q474-L477 PolarHBondContact O-N 3.22Å
475Y92.7Very high94.4Very high101 Ų10181.3 Ų81.340%0.39645%0.447SS..Hα-helixtrans-56.6-42.8177.5-178.6-93.2000112.4V467 V470 P471 P472 L477V467-Y475 HydrophobicContact CG2-CD2 4.18Å; V467-Y475 HydrophobicContact CG2-CE2 3.83Å; V470-Y475 HydrophobicContact CG2-CD2 4.28Å; P471-Y475 PolarHBondContact O-N 2.68Å; P472-Y475 PolarHBondContact O-N 3.25Å; Y475-L477 VanDerWaalsContact C-N 3.34Å
476F94.1Very high94.8Very high149 Ų14982.6 Ų82.665%0.65446%0.459SS*.THydrogen-bonded Turntrans-89.67.4177-66.7-66.4000113.9P472 Q474 V478P472-F476 WeakPolarHBondContact O-CD2 2.96Å; P472-F476 PolarHBondContact O-N 3.36Å; Q474-F476 VanDerWaalsContact C-N 3.29Å; Q474-F476 PolarHBondContact O-N 3.16Å; F476-V478 HydrophobicContact CB-CG2 3.97Å; F476-V478 PolarHBondContact O-N 2.91Å
477L96.9Very high95.1Very high107 Ų10782.3 Ų82.356%0.5646%0.457SS*.THydrogen-bonded Turntrans53.333.7179.7-57.8175.7000113.8Y473 Q474 Y475 D479 V480 L481Y473-L477 PolarHBondContact O-N 2.88Å; Q474-L477 WeakPolarHBondContact O-CD2 3.43Å; Q474-L477 PolarHBondContact O-N 3.22Å; Y475-L477 VanDerWaalsContact C-N 3.34Å; L477-D479 VanDerWaalsContact C-N 3.32Å; L477-V480 HydrophobicContact CB-CB 4.25Å; L477-V480 HydrophobicContact CB-CG2 4.39Å; L477-V480 HydrophobicContact CD2-CG2 4.07Å; L477-V480 PolarHBondContact O-N 2.82Å; L477-L481 WeakPolarHBondContact O-CB 3.32Å; L477-L481 PolarHBondContact O-N 3.11Å
478V97.6Very high95.5Very high65 Ų6582.2 Ų82.239%0.39446%0.463SS..Hα-helixtrans-66.2-39.4-179.6179.30000110.3Y473 F476 L481 L482Y473-V478 PolarHBondContact O-N 3.39Å; F476-V478 HydrophobicContact CB-CG2 3.97Å; F476-V478 PolarHBondContact O-N 2.91Å; V478-L481 PolarHBondContact O-N 3.28Å; V478-L482 HydrophobicContact CG1-CD1 4.12Å; V478-L482 HydrophobicContact CG1-CG 4.42Å; V478-L482 WeakPolarHBondContact O-CB 3.15Å; V478-L482 VanDerWaalsContact O-CG 3.23Å; V478-L482 WeakPolarHBondContact O-CG 3.45Å; V478-L482 PolarHBondContact O-N 3.31Å
479D97.6Very high95.9Very high61 Ų6183.5 Ų83.533%0.32648%0.481SS..Hα-helixtrans-60.4-44.9174.154.3-7.7000112.6Y473 L477 L482 A483Y473-D479 HydrophobicContact CD2-CB 4.26Å; L477-D479 VanDerWaalsContact C-N 3.32Å; D479-L482 PolarHBondContact O-N 2.66Å; D479-A483 WeakPolarHBondContact O-CB 3.43Å; D479-A483 PolarHBondContact O-N 2.89Å
480V98Very high96.3Very high74 Ų7481 Ų8145%0.44847%0.472SS..Hα-helixtrans-62.8-45.5175.1179.90000110.7L477 L482 A483 V484L477-V480 HydrophobicContact CB-CB 4.25Å; L477-V480 HydrophobicContact CB-CG2 4.39Å; L477-V480 HydrophobicContact CD2-CG2 4.07Å; L477-V480 PolarHBondContact O-N 2.82Å; V480-L482 VanDerWaalsContact C-N 3.34Å; V480-L482 PolarHBondContact O-N 3.47Å; V480-A483 PolarHBondContact O-N 3.42Å; V480-V484 HydrophobicContact CG1-CG2 4.31Å; V480-V484 WeakPolarHBondContact O-CG2 3.47Å; V480-V484 PolarHBondContact O-N 3.34Å
481L98Very high96.5Very high118 Ų11883.3 Ų83.362%0.61848%0.482SS*.Hα-helixtrans-59.8-44.5177.9-178.5141.8000111.5L477 V478 V484 A485L477-L481 WeakPolarHBondContact O-CB 3.32Å; L477-L481 PolarHBondContact O-N 3.11Å; V478-L481 PolarHBondContact O-N 3.28Å; L481-V484 PolarHBondContact O-N 2.95Å; L481-A485 VanDerWaalsContact O-CB 3.26Å; L481-A485 WeakPolarHBondContact O-CB 3.45Å; L481-A485 PolarHBondContact O-N 3.41Å
482L97.8Very high96.8Very high109 Ų10984.5 Ų84.557%0.57149%0.488SS*.Hα-helixtrans-64.1-41.6176.6-70.1173.2000111.8V478 D479 V480 A485 A486V478-L482 HydrophobicContact CG1-CD1 4.12Å; V478-L482 HydrophobicContact CG1-CG 4.42Å; V478-L482 WeakPolarHBondContact O-CB 3.15Å; V478-L482 VanDerWaalsContact O-CG 3.23Å; V478-L482 WeakPolarHBondContact O-CG 3.45Å; V478-L482 PolarHBondContact O-N 3.31Å; D479-L482 PolarHBondContact O-N 2.66Å; V480-L482 VanDerWaalsContact C-N 3.34Å; V480-L482 PolarHBondContact O-N 3.47Å; L482-A485 PolarHBondContact O-N 3.29Å; L482-A486 VanDerWaalsContact O-CB 3.29Å; L482-A486 WeakPolarHBondContact O-CB 3.42Å; L482-A486 PolarHBondContact O-N 3.06Å
483A98.1Very high97Very high61 Ų6185.3 Ų85.350%0.50448%0.482SS..Hα-helixtrans-64-45.3177.400000112.2D479 V480 A486 A487D479-A483 WeakPolarHBondContact O-CB 3.43Å; D479-A483 PolarHBondContact O-N 2.89Å; V480-A483 PolarHBondContact O-N 3.42Å; A483-A486 PolarHBondContact O-N 3.14Å; A483-A487 WeakPolarHBondContact O-CB 3.33Å; A483-A487 PolarHBondContact O-N 3.08Å
484V98Very high97.2Very high97 Ų9784.1 Ų84.159%0.58848%0.483SS*.Hα-helixtrans-65-43.1177.1172.40000111V480 L481 A486 A487 G488V480-V484 HydrophobicContact CG1-CG2 4.31Å; V480-V484 WeakPolarHBondContact O-CG2 3.47Å; V480-V484 PolarHBondContact O-N 3.34Å; L481-V484 PolarHBondContact O-N 2.95Å; V484-A486 PolarHBondContact O-N 3.38Å; V484-A487 PolarHBondContact O-N 3.24Å; V484-G488 PolarHBondContact O-N 3.23Å
485A97.9Very high97.2Very high59 Ų5985 Ų8549%0.48849%0.49SS..Hα-helixtrans-62.7-42.6176.700000111.9L481 L482 G488 A489L481-A485 VanDerWaalsContact O-CB 3.26Å; L481-A485 WeakPolarHBondContact O-CB 3.45Å; L481-A485 PolarHBondContact O-N 3.41Å; L482-A485 PolarHBondContact O-N 3.29Å; A485-G488 PolarHBondContact O-N 3.35Å; A485-A489 WeakPolarHBondContact O-CB 3.33Å; A485-A489 PolarHBondContact O-N 2.92Å
486A98.1Very high97.3Very high62 Ų6287.9 Ų87.951%0.51250%0.5SS..Hα-helixtrans-63.7-44176.300000112L482 A483 V484 A489 L490L482-A486 VanDerWaalsContact O-CB 3.29Å; L482-A486 WeakPolarHBondContact O-CB 3.42Å; L482-A486 PolarHBondContact O-N 3.06Å; A483-A486 PolarHBondContact O-N 3.14Å; V484-A486 PolarHBondContact O-N 3.38Å; A486-A489 PolarHBondContact O-N 3.47Å; A486-L490 WeakPolarHBondContact O-CB 3.24Å; A486-L490 PolarHBondContact O-N 3.48Å
487A98.1Very high97.3Very high50 Ų5087.7 Ų87.741%0.41350%0.495SS..Hα-helixtrans-61.6-44.1175.300000111.7A483 V484 L490 I491A483-A487 WeakPolarHBondContact O-CB 3.33Å; A483-A487 PolarHBondContact O-N 3.08Å; V484-A487 PolarHBondContact O-N 3.24Å; A487-L490 WeakPolarHBondContact O-CB 3.25Å; A487-L490 PolarHBondContact O-N 3.09Å; A487-I491 WeakPolarHBondContact O-CG1 3.41Å; A487-I491 PolarHBondContact O-N 2.83Å
488G98.1Very high97.2Very high33 Ų3386.9 Ų86.934%0.3449%0.491SS..Hα-helixtrans-60.6-44.6174.900000112.7V484 A485 L490 I491 V492V484-G488 PolarHBondContact O-N 3.23Å; A485-G488 PolarHBondContact O-N 3.35Å; G488-L490 VanDerWaalsContact C-N 3.33Å; G488-L490 PolarHBondContact O-N 2.94Å; G488-I491 PolarHBondContact O-N 2.96Å; G488-V492 WeakPolarHBondContact O-CG2 3.49Å; G488-V492 PolarHBondContact O-N 2.94Å
489A97.5Very high97Very high62 Ų6287.2 Ų87.251%0.51249%0.493SS..Hα-helixtrans-61.6-40.3175.900000112.1A485 A486 V492 F493A485-A489 WeakPolarHBondContact O-CB 3.33Å; A485-A489 PolarHBondContact O-N 2.92Å; A486-A489 PolarHBondContact O-N 3.47Å; A489-V492 PolarHBondContact O-N 3.47Å; A489-F493 WeakPolarHBondContact O-CB 3.09Å; A489-F493 PolarHBondContact O-N 3.4Å
490L97.7Very high96.7Very high101 Ų10192.6 Ų92.653%0.52951%0.509SS..Hα-helixtrans-63-44.9175.1-17962.9000111.5A486 A487 G488 V492 F493 L494A486-L490 WeakPolarHBondContact O-CB 3.24Å; A486-L490 PolarHBondContact O-N 3.48Å; A487-L490 WeakPolarHBondContact O-CB 3.25Å; A487-L490 PolarHBondContact O-N 3.09Å; G488-L490 VanDerWaalsContact C-N 3.33Å; G488-L490 PolarHBondContact O-N 2.94Å; L490-V492 PolarHBondContact O-N 2.91Å; L490-F493 WeakPolarHBondContact O-CB 3.38Å; L490-F493 PolarHBondContact O-N 3.43Å; L490-L494 HydrophobicContact CD1-CD1 4.39Å; L490-L494 HydrophobicContact CD1-CG 4.28Å; L490-L494 HydrophobicContact CG-CD1 4.15Å; L490-L494 HydrophobicContact CG-CG 4.45Å; L490-L494 WeakPolarHBondContact O-CB 3.43Å; L490-L494 VanDerWaalsContact O-CG 3.3Å; L490-L494 WeakPolarHBondContact O-CG 3.35Å; L490-L494 PolarHBondContact O-N 3.14Å
491I97.5Very high96.2Very high100 Ų10093.9 Ų93.951%0.51351%0.513SS..Hα-helixtrans-59.4-48176.4-68.9166.2000110.4A487 G488 F493 L494 L495A487-I491 WeakPolarHBondContact O-CG1 3.41Å; A487-I491 PolarHBondContact O-N 2.83Å; G488-I491 PolarHBondContact O-N 2.96Å; I491-F493 VanDerWaalsContact C-N 3.31Å; I491-F493 PolarHBondContact O-N 3.43Å; I491-L494 PolarHBondContact O-N 3.3Å; I491-L495 HydrophobicContact CG2-CD1 3.88Å; I491-L495 HydrophobicContact CG2-CG 4.33Å; I491-L495 WeakPolarHBondContact O-CB 3.19Å; I491-L495 VanDerWaalsContact O-CG 3.3Å; I491-L495 WeakPolarHBondContact O-CG 3.37Å; I491-L495 PolarHBondContact O-N 3.39Å
492V97.3Very high95.8Very high67 Ų6793.3 Ų93.341%0.40651%0.51SS..Hα-helixtrans-61-41.1177.3172.30000111.3G488 A489 L490 L495 R496G488-V492 WeakPolarHBondContact O-CG2 3.49Å; G488-V492 PolarHBondContact O-N 2.94Å; A489-V492 PolarHBondContact O-N 3.47Å; L490-V492 PolarHBondContact O-N 2.91Å; V492-L495 PolarHBondContact O-N 3.16Å; V492-R496 HydrophobicContact CG1-CG 4.47Å; V492-R496 WeakPolarHBondContact O-CB 3.25Å; V492-R496 VanDerWaalsContact O-CG 3.28Å; V492-R496 WeakPolarHBondContact O-CG 3.47Å; V492-R496 PolarHBondContact O-N 3.47Å
493F97Very high95.1Very high112 Ų11297.2 Ų97.249%0.49152%0.517SS..Hα-helixtrans-61.8-47176173.7-96.3000112.1A489 L490 I491 R496 R497A489-F493 WeakPolarHBondContact O-CB 3.09Å; A489-F493 PolarHBondContact O-N 3.4Å; L490-F493 WeakPolarHBondContact O-CB 3.38Å; L490-F493 PolarHBondContact O-N 3.43Å; I491-F493 VanDerWaalsContact C-N 3.31Å; I491-F493 PolarHBondContact O-N 3.43Å; F493-R496 PolarHBondContact O-N 2.96Å; F493-R497 HydrophobicContact CE1-CG 4.15Å; F493-R497 HydrophobicContact CZ-CG 4.11Å; F493-R497 WeakPolarHBondContact O-CB 3.18Å; F493-R497 PolarHBondContact O-N 3.39Å
494L96.7Very high94.1Very high97 Ų9796.5 Ų96.551%0.50852%0.516SS..Hα-helixtrans-63.4-43.3177.8-69.7175.5000111.7L490 I491 R497 L498L490-L494 HydrophobicContact CD1-CD1 4.39Å; L490-L494 HydrophobicContact CD1-CG 4.28Å; L490-L494 HydrophobicContact CG-CD1 4.15Å; L490-L494 HydrophobicContact CG-CG 4.45Å; L490-L494 WeakPolarHBondContact O-CB 3.43Å; L490-L494 VanDerWaalsContact O-CG 3.3Å; L490-L494 WeakPolarHBondContact O-CG 3.35Å; L490-L494 PolarHBondContact O-N 3.14Å; I491-L494 PolarHBondContact O-N 3.3Å; L494-R497 WeakPolarHBondContact O-CB 3.28Å; L494-R497 PolarHBondContact O-N 2.93Å; L494-L498 WeakPolarHBondContact O-CB 3.2Å; L494-L498 PolarHBondContact O-N 3.03Å
495L96.2Very high92.9Very high101 Ų10199.6 Ų99.653%0.52952%0.521SS..Hα-helixtrans-61.8-43.5174.7-71.6173.3000111.7I491 V492 R497 L498 V499I491-L495 HydrophobicContact CG2-CD1 3.88Å; I491-L495 HydrophobicContact CG2-CG 4.33Å; I491-L495 WeakPolarHBondContact O-CB 3.19Å; I491-L495 VanDerWaalsContact O-CG 3.3Å; I491-L495 WeakPolarHBondContact O-CG 3.37Å; I491-L495 PolarHBondContact O-N 3.39Å; V492-L495 PolarHBondContact O-N 3.16Å; L495-R497 VanDerWaalsContact C-N 3.35Å; L495-R497 PolarHBondContact O-N 3.28Å; L495-L498 PolarHBondContact O-N 3.37Å; L495-V499 WeakPolarHBondContact O-CG2 3.31Å; L495-V499 PolarHBondContact O-N 2.98Å
496R95.6Very high91.4Very high160 Ų16099.8 Ų99.860%0.60452%0.522SS*.Hα-helixtrans-61.9-41.9174.8-76.3175.3178176.41.2111.8V492 F493 R500V492-R496 HydrophobicContact CG1-CG 4.47Å; V492-R496 WeakPolarHBondContact O-CB 3.25Å; V492-R496 VanDerWaalsContact O-CG 3.28Å; V492-R496 WeakPolarHBondContact O-CG 3.47Å; V492-R496 PolarHBondContact O-N 3.47Å; F493-R496 PolarHBondContact O-N 2.96Å; R496-R500 WeakPolarHBondContact O-CB 3.22Å; R496-R500 VanDerWaalsContact O-CG 3.27Å; R496-R500 WeakPolarHBondContact O-CG 3.5Å; R496-R500 PolarHBondContact O-N 2.99Å
497R94.5Very high89.6Confident145 Ų14598.5 Ų98.555%0.54752%0.516SS..Hα-helixtrans-60.4-46.9173.6-97.6-85.7-173.2165.20.7111F493 L494 L495 R500 L501F493-R497 HydrophobicContact CE1-CG 4.15Å; F493-R497 HydrophobicContact CZ-CG 4.11Å; F493-R497 WeakPolarHBondContact O-CB 3.18Å; F493-R497 PolarHBondContact O-N 3.39Å; L494-R497 WeakPolarHBondContact O-CB 3.28Å; L494-R497 PolarHBondContact O-N 2.93Å; L495-R497 VanDerWaalsContact C-N 3.35Å; L495-R497 PolarHBondContact O-N 3.28Å; R497-R500 PolarHBondContact O-N 3.32Å; R497-L501 VanDerWaalsContact O-CG 3.29Å; R497-L501 WeakPolarHBondContact O-CG 3.4Å; R497-L501 PolarHBondContact O-N 3.17Å
498L94.1Very high87.8Confident91 Ų91101.4 Ų101.448%0.47652%0.524SS..Hα-helixtrans-61.5-47.9178.4-17665.4000111.6L494 L495 R500 L501 L502L494-L498 WeakPolarHBondContact O-CB 3.2Å; L494-L498 PolarHBondContact O-N 3.03Å; L495-L498 PolarHBondContact O-N 3.37Å; L498-R500 VanDerWaalsContact C-N 3.33Å; L498-R500 PolarHBondContact O-N 3.12Å; L498-L501 WeakPolarHBondContact O-CB 3.28Å; L498-L501 PolarHBondContact O-N 3.46Å; L498-L501 VanDerWaalsContact O-N 3.15Å; L498-L502 HydrophobicContact CG-CD1 4.15Å; L498-L502 WeakPolarHBondContact O-CG 3.2Å; L498-L502 PolarHBondContact O-N 3.28Å
499V93.5Very high85.9Confident71 Ų71106.1 Ų106.143%0.4354%0.537SS..Hα-helixtrans-60.3-42.1176.4171.30000111.4L495 L502 R503L495-V499 WeakPolarHBondContact O-CG2 3.31Å; L495-V499 PolarHBondContact O-N 2.98Å; V499-L502 PolarHBondContact O-N 2.9Å; V499-R503 WeakPolarHBondContact O-CB 3.49Å; V499-R503 WeakPolarHBondContact O-CG 3.29Å; V499-R503 PolarHBondContact O-N 2.84Å
500R90.3Very high83.9Confident174 Ų174106.4 Ų106.466%0.65754%0.535SS*.Hα-helixtrans-62.5-41.5174.7-74.6177.3-167.9175.23.1111.9R496 R497 L498 R503 G504R496-R500 WeakPolarHBondContact O-CB 3.22Å; R496-R500 VanDerWaalsContact O-CG 3.27Å; R496-R500 WeakPolarHBondContact O-CG 3.5Å; R496-R500 PolarHBondContact O-N 2.99Å; R497-R500 PolarHBondContact O-N 3.32Å; L498-R500 VanDerWaalsContact C-N 3.33Å; L498-R500 PolarHBondContact O-N 3.12Å; R500-R503 PolarHBondContact O-N 3.42Å; R500-G504 PolarHBondContact O-N 2.88Å
501L89.1Confident82Confident102 Ų102110.9 Ų110.953%0.53455%0.545SS..Hα-helixtrans-64.7-43.6176.6-72.4169.5000111.9R497 L498 G504 K505R497-L501 VanDerWaalsContact O-CG 3.29Å; R497-L501 WeakPolarHBondContact O-CG 3.4Å; R497-L501 PolarHBondContact O-N 3.17Å; L498-L501 WeakPolarHBondContact O-CB 3.28Å; L498-L501 PolarHBondContact O-N 3.46Å; L498-L501 VanDerWaalsContact O-N 3.15Å; L501-G504 PolarHBondContact O-N 3.47Å; L501-K505 PolarHBondContact O-N 3.47Å
502L88.5Confident79.9Confident105 Ų105115.9 Ų115.955%0.5556%0.558SS.*Hα-helixtrans-64.6-42.5176.8-68.6173.4000111.7L498 V499 K505 A506L498-L502 HydrophobicContact CG-CD1 4.15Å; L498-L502 WeakPolarHBondContact O-CG 3.2Å; L498-L502 PolarHBondContact O-N 3.28Å; V499-L502 PolarHBondContact O-N 2.9Å; L502-K505 PolarHBondContact O-N 3.43Å; L502-A506 WeakPolarHBondContact O-CB 3.25Å; L502-A506 PolarHBondContact O-N 3.48Å
503R84.2Confident77.9Confident192 Ų192116.7 Ų116.773%0.72556%0.563SS**Hα-helixtrans-64-40.5173.3-76.6-176.2177.5-176.1-0.5112.7V499 R500 A506 G507V499-R503 WeakPolarHBondContact O-CB 3.49Å; V499-R503 WeakPolarHBondContact O-CG 3.29Å; V499-R503 PolarHBondContact O-N 2.84Å; R500-R503 PolarHBondContact O-N 3.42Å; R503-A506 PolarHBondContact O-N 2.77Å; R503-G507 PolarHBondContact O-N 2.74Å
504G76.4Confident75.8Confident46 Ų46116.3 Ų116.347%0.47457%0.565SS.*Hα-helixtrans-60-45.7175.200000112R500 L501 G507 D508R500-G504 PolarHBondContact O-N 2.88Å; L501-G504 PolarHBondContact O-N 3.47Å; G504-G507 PolarHBondContact O-N 3.5Å; G504-D508 WeakPolarHBondContact O-CB 3.37Å; G504-D508 PolarHBondContact O-N 3.31Å
505K71.9Confident73.6Confident161 Ų161113.6 Ų113.670%0.756%0.561SS**Hα-helixtrans-65.6-38.3175.5-75.7-174.4175.8-176.50113.2L501 L502 D508 H509L501-K505 PolarHBondContact O-N 3.47Å; L502-K505 PolarHBondContact O-N 3.43Å; K505-D508 PolarHBondContact O-N 2.62Å; K505-H509 WeakPolarHBondContact O-CB 3.34Å; K505-H509 PolarHBondContact O-N 3.44Å
506A66.8Low71.2Confident63 Ų63113.3 Ų113.352%0.52157%0.567SS.*Hα-helixtrans-65.4-40.6175.700000112.3L502 R503 H509 S510L502-A506 WeakPolarHBondContact O-CB 3.25Å; L502-A506 PolarHBondContact O-N 3.48Å; R503-A506 PolarHBondContact O-N 2.77Å; A506-H509 PolarHBondContact O-N 2.71Å; A506-S510 WeakPolarHBondContact O-CB 3.28Å; A506-S510 PolarHBondContact O-N 3.39Å
507G61.4Low68.9Low36 Ų36113.1 Ų113.137%0.37158%0.575SS.*Hα-helixtrans-67-37.5175.300000113.4R503 G504 R511R503-G507 PolarHBondContact O-N 2.74Å; G504-G507 PolarHBondContact O-N 3.5Å; G507-R511 WeakPolarHBondContact O-CG 3.36Å; G507-R511 PolarHBondContact O-N 2.98Å
508D60Low66.6Low110 Ų110111.3 Ų111.359%0.58858%0.581SS**Hα-helixtrans-72.2-34.9177-142.828.5000111.7G504 K505 R511 R512G504-D508 WeakPolarHBondContact O-CB 3.37Å; G504-D508 PolarHBondContact O-N 3.31Å; K505-D508 PolarHBondContact O-N 2.62Å; D508-R511 PolarHBondContact O-N 3.35Å; D508-R512 WeakPolarHBondContact O-CB 3.32Å; D508-R512 PolarHBondContact O-N 3.35Å
509H56.8Low64.2Low133 Ų133114.1 Ų114.162%0.61660%0.596SS**Hα-helixtrans-68-40.7173.2-157.80.8000112.1K505 A506 R512 V513K505-H509 WeakPolarHBondContact O-CB 3.34Å; K505-H509 PolarHBondContact O-N 3.44Å; A506-H509 PolarHBondContact O-N 2.71Å; H509-R512 PolarHBondContact O-N 3.43Å; H509-V513 WeakPolarHBondContact O-CG2 3.24Å; H509-V513 PolarHBondContact O-N 3.34Å
510S56.2Low61.6Low68 Ų68113.8 Ų113.848%0.47661%0.607SS.*Hα-helixtrans-61.8-42.8173.4-167.90000111.9A506 R512 V513 D514A506-S510 WeakPolarHBondContact O-CB 3.28Å; A506-S510 PolarHBondContact O-N 3.39Å; S510-R512 VanDerWaalsContact C-N 3.34Å; S510-R512 PolarHBondContact O-N 2.89Å; S510-V513 PolarHBondContact O-N 3.26Å; S510-D514 PolarHBondContact O-N 2.96Å
511R57.2Low59.2Low194 Ų194114.1 Ų114.173%0.73262%0.616SS**Hα-helixtrans-65.9-33.5175.4-79.1179.9175.6174.3-2113.3G507 D508 G515G507-R511 WeakPolarHBondContact O-CG 3.36Å; G507-R511 PolarHBondContact O-N 2.98Å; D508-R511 PolarHBondContact O-N 3.35Å; R511-G515 PolarHBondContact O-N 3.41Å
512R54.9Low56.7Low206 Ų206115.3 Ų115.378%0.77763%0.631SS**Hα-helixtrans-70.5-34174.6-115.5178.6177.2177.3-0.7112.9D508 H509 S510 S516D508-R512 WeakPolarHBondContact O-CB 3.32Å; D508-R512 PolarHBondContact O-N 3.35Å; H509-R512 PolarHBondContact O-N 3.43Å; S510-R512 VanDerWaalsContact C-N 3.34Å; S510-R512 PolarHBondContact O-N 2.89Å; R512-S516 WeakPolarHBondContact O-CB 3.42Å; R512-S516 PolarHBondContact O-N 2.86Å
513V55.5Low54.4Low84 Ų84119 Ų11951%0.50965%0.645SS.*Hα-helixtrans-71.3-43.7174.2173.80000110.6H509 S510 S516 M517H509-V513 WeakPolarHBondContact O-CG2 3.24Å; H509-V513 PolarHBondContact O-N 3.34Å; S510-V513 PolarHBondContact O-N 3.26Å; V513-S516 PolarHBondContact O-N 3.49Å; V513-M517 PolarHBondContact O-N 3.48Å
514D52.4Low52.1Low103 Ų103115.5 Ų115.555%0.55165%0.65SS**Hα-helixtrans-66.1-40174.9-81.8-21.9000112.7S510 S516 M517S510-D514 PolarHBondContact O-N 2.96Å; D514-S516 PolarHBondContact O-N 3.17Å; D514-M517 PolarHBondContact O-N 3.3Å; D514-M517 VanDerWaalsContact O-N 3.09Å
515G50.7Low50.2Low40 Ų40122 Ų12241%0.41267%0.668SS.*Hα-helixtrans-69.5-16.417600000114.5R511 T518R511-G515 PolarHBondContact O-N 3.41Å; G515-T518 PolarHBondContact O-OG1 3.03Å
516S45.6Very low48.6Very low95 Ų95119.1 Ų119.166%0.66467%0.669SS**Hα-helixtrans-82.3-17.5170.6-178.50000112.5R512 V513 D514R512-S516 WeakPolarHBondContact O-CB 3.42Å; R512-S516 PolarHBondContact O-N 2.86Å; V513-S516 PolarHBondContact O-N 3.49Å; D514-S516 PolarHBondContact O-N 3.17Å
517M47.3Very low47.2Very low157 Ų157123.7 Ų123.777%0.77368%0.683SS**Hα-helixtrans-91.1-7.8177.6-70.5-15470.200113.8V513 D514V513-M517 PolarHBondContact O-N 3.48Å; D514-M517 PolarHBondContact O-N 3.3Å; D514-M517 VanDerWaalsContact O-N 3.09Å
518T45.5Very low46.2Very low107 Ų107125.6 Ų125.666%0.65670%0.695SS**SBendtrans-94.61.3-178.549.50000115.4G515 G520G515-T518 PolarHBondContact O-OG1 3.03Å; T518-G520 VanDerWaalsContact C-N 3.33Å; T518-G520 PolarHBondContact O-N 2.91Å
519N43.4Very low45.1Very low149 Ų149128.3 Ų128.380%0.79771%0.709SS**  trans-9535.8173.9-80.9-11000113.6H521N519-H521 PolarHBondContact O-N 3.3Å
520G39.3Very low44.2Very low65 Ų65125.1 Ų125.167%0.6771%0.712SS**  trans-82.688.3165.900000110.8T518 C522T518-G520 VanDerWaalsContact C-N 3.33Å; T518-G520 PolarHBondContact O-N 2.91Å; G520-C522 PolarHBondContact O-N 3.27Å
521H40.5Very low43.3Very low180 Ų180130.8 Ų130.883%0.83373%0.728SS**  trans-60.8112.5161.5-10428.4000109.1N519N519-H521 PolarHBondContact O-N 3.3Å
522C35.7Very low42.4Very low127 Ų127129.6 Ų129.686%0.85873%0.731SS**  trans-114.9109.2160.6-88.10000108.4G520G520-C522 PolarHBondContact O-N 3.27Å
523H41Very low41.8Very low183 Ų183128.9 Ų128.985%0.84773%0.733SS**  trans-68.2121.9158.4-85.5-77.2000108.7
524S34.8Very low41Very low118 Ų118136 Ų13683%0.82575%0.751SS**  trans-165143.3134.8690000111.7
525E38.1Very low40.5Very low183 Ų183138.6 Ų138.686%0.85577%0.765SS**  trans-52.7157.1-174.5-62.5170.313700117.5
526S37.8Very low39.8Very low101 Ų101140.5 Ų140.571%0.70678%0.784SS**  trans113.1127131.989.30000117.9
527I36.6Very low39.7Very low159 Ų159141 Ų14182%0.81579%0.787SS**  trans90.6121.2146.4-60.4160.3000118.8
528A40.8Very low39.2Very low76 Ų76141.3 Ų141.363%0.62879%0.791SS**  trans-59.1149.5172.400000114.1
529N37.9Very low39.3Very low167 Ų167145.5 Ų145.589%0.89380%0.8SS**  175.3143.6110.8-103.8-34.4000112.7
530G36.2Very low39.2Very low65 Ų65145.2 Ų145.267%0.6780%0.804SS**  trans96.891.5130.800000118.5
531K38.8Very low39.6Very low187 Ų187150.5 Ų150.581%0.81381%0.812SS**  20.9124.3122.8-63.5176.1176.31750116.8
532H38.6Very low39.7Very low170 Ų170151.5 Ų151.579%0.78781%0.813SS**  168.913983.2-113.5-52.5000112.6
533K41.1Very low40.1Very low191 Ų191154.4 Ų154.483%0.8381%0.812SS**  trans-40.7144.6152.8-76.5170164.81730112.7
534R38.9Very low40.4Very low233 Ų233152 Ų15288%0.87980%0.804SS**  179.5141.6101.1-123.9175.6169.7169.5-4.9114.3
535N41.5Very low41Very low158 Ų158157.3 Ų157.385%0.84582%0.823SS**  trans-17.6149153.4-60.4-7.1000118.1
536G36.8Very low41.2Very low79 Ų79156 Ų15681%0.81482%0.821SS**  trans-175.191.1155.900000112.8
537S42.5Very low41.3Very low105 Ų105158.9 Ų158.973%0.73483%0.827SS**  trans-60.9150.5160.365.60000110.6
538L38.1Very low41.6Very low164 Ų164158.9 Ų158.986%0.85983%0.828SS**  -177.7134.6120-97152.5000111.7
539K47.8Very low41.7Very low195 Ų195163.8 Ų163.885%0.84884%0.839SS**  trans-64.7150.3160.7-74174169.5179.60109.8
540T40.4Very low41.9Very low143 Ų143163.6 Ų163.688%0.87784%0.836SS**  trans-155.2130135.5-14.20000111.8
541E47Very low42.3Very low177 Ų177170.1 Ų170.183%0.82785%0.847SS**  trans-66.9153.9161.2-62.8170.2132.700111.3
542K42.8Very low42.5Very low200 Ų200168.9 Ų168.987%0.8785%0.85SS**  174.8114.3126.7-98.8171.9178.1179.40107.7
543K45.6Very low42.8Very low188 Ų188168.8 Ų168.882%0.81785%0.854SS**  62.812581.3-112.1-169.4176.3-1790114.5
544I47.2Very low43Very low133 Ų133167 Ų16768%0.68286%0.856SS**  trans79.3128.8151.3-57164.9000113.4
545N47Very low43.3Very low229 Ų229161 Ų161100%1.22585%0.854SS**  cis-124033.7-89.1-48.2000114.1

Retrieved 545 of 545 residues in 291.5 ms (Link to these results)

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