A0A077Z6D9_TRITR Loading...

Aldolase and DGOK domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6D9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 410 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
1M94.2Very high96.3Very high143 Ų14381.3 Ų81.370%0.70443%0.432SS*.  0-10.50-65.2-50.2-79.200116.7G3 S4 R52M1-G3 PolarHBondContact O-N 3.09Å; M1-S4 WeakPolarHBondContact O-CB 3.11Å; M1-S4 PolarHBondContact O-N 3.21Å; M1-S4 PolarHBondContact O-OG 2.95Å; M1-R52 HydrophobicContact SD-CB 4.42Å; M1-R52 HydrophobicContact SD-CG 4.46Å
2V96.6Very high96.5Very high75 Ų7581.5 Ų81.546%0.45544%0.441SS..THydrogen-bonded Turntrans-55.6-27.2179.2710000114.4G7 W8 I36V2-G7 CarbonylContact O-C 3.55Å; V2-G7 WeakPolarHBondContact O-CA 3.27Å; V2-W8 HydrophobicContact CG2-CB 3.55Å; V2-W8 HydrophobicContact CG2-CE3 4.01Å; V2-W8 HydrophobicContact CG2-CG 4.49Å; V2-W8 PolarHBondContact O-N 3.44Å; V2-I36 HydrophobicContact CG1-CD1 4.22Å; V2-I36 HydrophobicContact CG1-CG1 4.23Å; V2-I36 HydrophobicContact CG1-CG2 4.14Å; V2-I36 HydrophobicContact CG2-CD1 4.28Å
3G96.6Very high96.6Very high3 Ų382.2 Ų82.23%0.03144%0.435CS..THydrogen-bonded Turntrans-87.16.5176.400000116.4M1 K9 V10 A11 R52M1-G3 PolarHBondContact O-N 3.09Å; G3-K9 WeakPolarHBondContact CA-O 3.44Å; G3-V10 WeakPolarHBondContact O-CA 3.32Å; G3-A11 PolarHBondContact O-N 2.92Å; G3-R52 PolarHBondContact O-NH1 3.38Å
4S96Very high96.7Very high6 Ų677.4 Ų77.44%0.04241%0.409CS..SBendtrans-85.6175.3-179.469.40000112.6M1 V6 G7M1-S4 WeakPolarHBondContact O-CB 3.11Å; M1-S4 PolarHBondContact O-N 3.21Å; M1-S4 PolarHBondContact O-OG 2.95Å; S4-V6 PolarHBondContact O-N 3.06Å; S4-V6 WeakPolarHBondContact OG-CG2 3.41Å; S4-V6 PolarHBondContact OG-N 3.44Å; S4-G7 PolarHBondContact O-N 2.7Å; S4-G7 PolarHBondContact OG-N 3.43Å
5N95.2Very high96.8Very high144 Ų14477.6 Ų77.677%0.7742%0.419SS*.THydrogen-bonded Turntrans-67.1-16.7173.664-19000114.1V10N5-V10 HydrophobicContact CB-CG2 4.48Å
6V94.9Very high96.9Very high124 Ų12473.9 Ų73.975%0.75240%0.4SS*.THydrogen-bonded Turntrans-104.311.3171.5-61.70000112S4S4-V6 PolarHBondContact O-N 3.06Å; S4-V6 WeakPolarHBondContact OG-CG2 3.41Å; S4-V6 PolarHBondContact OG-N 3.44Å
7G95.3Very high96.9Very high37 Ų3774.9 Ų74.938%0.38141%0.412SS..SBendtrans-96.7-155.7-178.300000113.8V2 S4V2-G7 CarbonylContact O-C 3.55Å; V2-G7 WeakPolarHBondContact O-CA 3.27Å; S4-G7 PolarHBondContact O-N 2.7Å; S4-G7 PolarHBondContact OG-N 3.43Å
8W96.5Very high96.9Very high175 Ų17571.4 Ų71.466%0.66339%0.394SS*.SBendtrans-79.4-54.1179.7-175.6-4.9000111.4V2 V30V2-W8 HydrophobicContact CG2-CB 3.55Å; V2-W8 HydrophobicContact CG2-CE3 4.01Å; V2-W8 HydrophobicContact CG2-CG 4.49Å; V2-W8 PolarHBondContact O-N 3.44Å; W8-V30 HydrophobicContact CH2-CG2 4.33Å; W8-V30 HydrophobicContact CZ2-CG2 4.41Å
9K97.8Very high97Very high105 Ų10574.6 Ų74.646%0.45740%0.399SS..SBendtrans-145.4130.5177-174.8177.7-179.5179.80108.3G3 A11 T28 S29 V30 I36G3-K9 WeakPolarHBondContact CA-O 3.44Å; K9-A11 PolarHBondContact O-N 3.22Å; K9-T28 HydrophobicContact CD-CG2 3.88Å; K9-T28 HydrophobicContact CG-CG2 4.2Å; K9-S29 PolarHBondContact NZ-O 2.97Å; K9-V30 HydrophobicContact CB-CG1 3.82Å; K9-V30 HydrophobicContact CD-CG1 3.82Å; K9-V30 HydrophobicContact CG-CG1 4.44Å; K9-I36 HydrophobicContact CB-CD1 4.3Å
10V98.2Very high96.9Very high82 Ų8272.2 Ų72.250%0.49739%0.385SS..  trans-61.1121.3178.81780000109.4G3 N5G3-V10 WeakPolarHBondContact O-CA 3.32Å; N5-V10 HydrophobicContact CB-CG2 4.48Å
11A98.3Very high96.9Very high0 Ų071.6 Ų71.60%039%0.387CS..  trans-100.3105.2166.700000107.5G3 K9 T28 I36 R52G3-A11 PolarHBondContact O-N 2.92Å; K9-A11 PolarHBondContact O-N 3.22Å; A11-T28 WeakPolarHBondContact CA-OG1 3.42Å; A11-T28 WeakPolarHBondContact CB-OG1 3.27Å; A11-I36 HydrophobicContact CB-CB 4.28Å; A11-I36 HydrophobicContact CB-CG2 3.66Å; A11-R52 VanDerWaalsContact O-CZ 3.29Å; A11-R52 PolarHBondContact O-NH1 3.24Å; A11-R52 PolarHBondContact O-NH2 3.34Å
12P98Very high97Very high84 Ų8465.7 Ų65.755%0.54536%0.36SS..PPolyproline II helixtrans-52.5148.4-176.4-26.435.2000112.2P38P12-P38 WeakPolarHBondContact O-CB 3.31Å
13Y98.5Very high97.1Very high91 Ų9162.2 Ų62.236%0.35734%0.339SS..PPolyproline II helixtrans-69.5145.6176-67.9-81.8000110.9G39 L40 C41 V50 M51 R52Y13-G39 CarbonylContact C-O 3.55Å; Y13-G39 VanDerWaalsContact CA-O 3.31Å; Y13-G39 WeakPolarHBondContact CA-O 3.4Å; Y13-L40 WeakPolarHBondContact CD1-O 3.35Å; Y13-C41 HydrophobicContact CD1-CB 4.3Å; Y13-C41 HydrophobicContact CG-CB 4.05Å; Y13-V50 HydrophobicContact CD1-CG1 4.47Å; Y13-V50 HydrophobicContact CE1-CB 3.89Å; Y13-V50 HydrophobicContact CE1-CG1 4.07Å; Y13-V50 HydrophobicContact CE2-CG1 4.26Å; Y13-M51 WeakPolarHBondContact CE1-O 3.5Å; Y13-R52 HydrophobicContact CE1-CB 4.44Å; Y13-R52 VanDerWaalsContact CE2-NH2 3.34Å; Y13-R52 PolarHBondContact OH-NE 2.89Å
14L98.3Very high97.1Very high15 Ų1564.5 Ų64.58%0.07936%0.362CS..EExtended strand (participates in β ladder)trans-89.3125.1165.3-51.4-172.9000109.2I23 Q26 P38 G39 L40 C41L14-I23 HydrophobicContact CD1-CG1 4.2Å; L14-Q26 HydrophobicContact CD1-CB 4.31Å; L14-Q26 HydrophobicContact CD2-CB 3.93Å; L14-Q26 HydrophobicContact CD2-CG 4.38Å; L14-P38 HydrophobicContact CD1-CG 3.77Å; L14-P38 HydrophobicContact CD2-CB 4.25Å; L14-P38 HydrophobicContact CD2-CG 4.16Å; L14-P38 HydrophobicContact CG-CB 3.99Å; L14-P38 HydrophobicContact CG-CG 3.76Å; L14-G39 PolarHBondContact N-O 3.22Å; L14-L40 HydrophobicContact CB-CD2 3.78Å; L14-L40 HydrophobicContact CD1-CD2 4.35Å; L14-L40 HydrophobicContact CG-CD2 4.34Å; L14-L40 CarbonylContact O-C 3.54Å; L14-L40 WeakPolarHBondContact O-CA 3.49Å; L14-C41 PolarHBondContact O-N 2.87Å
15S98.1Very high97.1Very high80 Ų8070.5 Ų70.556%0.55939%0.389SS*.EExtended strand (participates in β ladder)trans-72.5129.4175.2-59.90000110.4C41S15-C41 CarbonylContact C-O 3.58Å; S15-C41 WeakPolarHBondContact CA-O 3.33Å; S15-C41 PolarHBondContact OG-SG 2.77Å
16V97.8Very high97.2Very high18 Ų1868.6 Ų68.611%0.10938%0.375CS..SBendtrans-81.9146.8168-75.70000110.7A18 L40 C41 V42 I87 F90V16-A18 HydrophobicContact CG1-CB 4.05Å; V16-L40 HydrophobicContact CG1-CD1 4.48Å; V16-C41 WeakPolarHBondContact CG2-O 3.13Å; V16-C41 PolarHBondContact N-O 3.29Å; V16-V42 HydrophobicContact CG2-CB 4.21Å; V16-V42 HydrophobicContact CG2-CG2 3.28Å; V16-I87 HydrophobicContact CG1-CB 3.95Å; V16-I87 HydrophobicContact CG1-CG2 3.76Å; V16-F90 HydrophobicContact CG2-CD1 4.05Å; V16-F90 HydrophobicContact CG2-CE1 3.96Å
17P97.3Very high97.4Very high92 Ų9265.4 Ų65.460%0.59735%0.354SS*.SBendcis-68.1133.16-20.433000114.5I87P17-I87 CarbonylContact C-O 3.6Å; P17-I87 WeakPolarHBondContact CA-O 3.44Å
18A97.4Very high97.5Very high11 Ų1164.7 Ų64.79%0.09134%0.342CS..EExtended strand (participates in β ladder)trans-137.1140-177.400000111.2V16 Q86 I87V16-A18 HydrophobicContact CG1-CB 4.05Å; A18-Q86 CarbonylContact O-C 3.55Å; A18-Q86 VanDerWaalsContact O-CA 3.29Å; A18-Q86 WeakPolarHBondContact O-CA 3.46Å; A18-Q86 WeakPolarHBondContact O-CB 3.34Å; A18-I87 PolarHBondContact N-O 2.87Å; A18-I87 PolarHBondContact O-N 2.84Å
19R97.4Very high97.6Very high132 Ų13258.6 Ų58.650%0.49833%0.326SS..EExtended strand (participates in β ladder)trans-69.4144.8174.8-59.7-177.3107.7133.82.2110S21 S22 Q85R19-S21 PolarHBondContact O-N 3.28Å; R19-S22 WeakPolarHBondContact O-CB 3.41Å; R19-S22 PolarHBondContact O-N 3.49Å; R19-Q85 WeakPolarHBondContact CA-O 3.49Å
20F96.5Very high97.6Very high27 Ų2755.2 Ų55.212%0.11831%0.314CS..Hα-helixtrans-54.8-37.5173.2-78.1-74.8000112.2S22 I23 L58 I59 R62 A82 D83 Q85 I87F20-S22 VanDerWaalsContact C-N 3.29Å; F20-S22 PolarHBondContact O-N 2.87Å; F20-I23 PolarHBondContact O-N 3.32Å; F20-L58 HydrophobicContact CE1-CD2 3.95Å; F20-L58 HydrophobicContact CE1-CG 3.95Å; F20-I59 HydrophobicContact CD1-CG1 4.48Å; F20-R62 HydrophobicContact CD1-CB 4.44Å; F20-R62 HydrophobicContact CD1-CG 4.38Å; F20-R62 HydrophobicContact CD2-CG 4.15Å; F20-R62 HydrophobicContact CE1-CB 3.94Å; F20-R62 HydrophobicContact CE1-CG 4.1Å; F20-R62 HydrophobicContact CE2-CG 3.88Å; F20-R62 HydrophobicContact CG-CG 4.41Å; F20-R62 HydrophobicContact CZ-CB 3.99Å; F20-R62 HydrophobicContact CZ-CG 3.84Å; F20-A82 HydrophobicContact CE2-CB 4.13Å; F20-A82 HydrophobicContact CZ-CB 3.82Å; F20-D83 WeakPolarHBondContact CE2-O 3.4Å; F20-Q85 WeakPolarHBondContact CD2-O 3.48Å; F20-Q85 PolarHBondContact N-O 3.36Å; F20-I87 HydrophobicContact CD1-CD1 3.98Å; F20-I87 HydrophobicContact CD1-CG1 3.98Å; F20-I87 HydrophobicContact CE1-CD1 3.83Å; F20-I87 HydrophobicContact CE1-CG1 3.56Å; F20-I87 HydrophobicContact CE2-CG1 4.13Å; F20-I87 HydrophobicContact CG-CG1 4.44Å; F20-I87 HydrophobicContact CZ-CD1 4.41Å; F20-I87 HydrophobicContact CZ-CG1 3.64Å
21S96.1Very high97.4Very high60 Ų6052.8 Ų52.842%0.4231%0.306SS..Hα-helixtrans-64.9-31.3179.272.50000113.2R19 I23 G24 E25R19-S21 PolarHBondContact O-N 3.28Å; S21-I23 PolarHBondContact O-N 3.17Å; S21-I23 VanDerWaalsContact O-N 3.15Å; S21-G24 PolarHBondContact O-N 3.45Å; S21-E25 VanDerWaalsContact CB-OE1 3.27Å; S21-E25 WeakPolarHBondContact CB-OE1 3.32Å; S21-E25 WeakPolarHBondContact O-CG 3.38Å; S21-E25 PolarHBondContact O-N 3.29Å; S21-E25 VanDerWaalsContact O-N 3.16Å; S21-E25 PolarHBondContact OG-OE1 3.43Å
22S97.2Very high97.3Very high19 Ų1960.4 Ų60.413%0.13335%0.347CS..Hα-helixtrans-62.6-25.8-177.3-59.70000112.9R19 F20 G24 E25 Q26R19-S22 WeakPolarHBondContact O-CB 3.41Å; R19-S22 PolarHBondContact O-N 3.49Å; F20-S22 VanDerWaalsContact C-N 3.29Å; F20-S22 PolarHBondContact O-N 2.87Å; S22-G24 VanDerWaalsContact C-N 3.34Å; S22-G24 PolarHBondContact O-N 3.13Å; S22-E25 PolarHBondContact O-N 3.07Å; S22-Q26 WeakPolarHBondContact O-CB 3.43Å; S22-Q26 WeakPolarHBondContact O-CG 3.48Å; S22-Q26 PolarHBondContact O-N 2.92Å
23I97.6Very high97.3Very high2 Ų262.8 Ų62.81%0.0136%0.355CS..Hα-helixtrans-63-42.7175.7-60.1167.8000110.8L14 F20 S21 L27 I37 L40 E55 I59 I87L14-I23 HydrophobicContact CD1-CG1 4.2Å; F20-I23 PolarHBondContact O-N 3.32Å; S21-I23 PolarHBondContact O-N 3.17Å; S21-I23 VanDerWaalsContact O-N 3.15Å; I23-L27 WeakPolarHBondContact O-CD2 3.36Å; I23-I37 HydrophobicContact CG2-CG2 3.48Å; I23-I37 VanDerWaalsContact CG2-CG2 3.48Å; I23-L40 HydrophobicContact CD1-CD2 4.41Å; I23-L40 HydrophobicContact CG1-CD2 4.23Å; I23-E55 HydrophobicContact CD1-CB 4.24Å; I23-E55 HydrophobicContact CG2-CG 4.45Å; I23-I59 HydrophobicContact CB-CD1 3.99Å; I23-I59 HydrophobicContact CD1-CD1 3.85Å; I23-I59 HydrophobicContact CD1-CG1 3.99Å; I23-I59 HydrophobicContact CG2-CD1 3.74Å; I23-I87 HydrophobicContact CD1-CD1 3.93Å
24G96.2Very high97.3Very high50 Ų5062.3 Ų62.352%0.51536%0.358SS..Hα-helixtrans-78.5-22.3177.800000114S21 S22 L27S21-G24 PolarHBondContact O-N 3.45Å; S22-G24 VanDerWaalsContact C-N 3.34Å; S22-G24 PolarHBondContact O-N 3.13Å; G24-L27 WeakPolarHBondContact O-CG 3.37Å
25E97.2Very high97.3Very high133 Ų13367.8 Ų67.862%0.62138%0.377SS*.Hα-helixtrans-84.1-22.7178.1-66.5159.9-163.400112.6S21 S22S21-E25 VanDerWaalsContact CB-OE1 3.27Å; S21-E25 WeakPolarHBondContact CB-OE1 3.32Å; S21-E25 WeakPolarHBondContact O-CG 3.38Å; S21-E25 PolarHBondContact O-N 3.29Å; S21-E25 VanDerWaalsContact O-N 3.16Å; S21-E25 PolarHBondContact OG-OE1 3.43Å; S22-E25 PolarHBondContact O-N 3.07Å
26Q97.4Very high97.3Very high103 Ų10364.5 Ų64.548%0.48135%0.353SS..SBendtrans-112.437.1-173.7-59.3-168.227.100113.2L14 S22L14-Q26 HydrophobicContact CD1-CB 4.31Å; L14-Q26 HydrophobicContact CD2-CB 3.93Å; L14-Q26 HydrophobicContact CD2-CG 4.38Å; S22-Q26 WeakPolarHBondContact O-CB 3.43Å; S22-Q26 WeakPolarHBondContact O-CG 3.48Å; S22-Q26 PolarHBondContact O-N 2.92Å
27L98.1Very high97.3Very high58 Ų5866.6 Ų66.630%0.30436%0.364SS..  trans-66.8141.6175.6-59.8177.8000111.7I23 G24 W35 I37I23-L27 WeakPolarHBondContact O-CD2 3.36Å; G24-L27 WeakPolarHBondContact O-CG 3.37Å; L27-W35 HydrophobicContact CB-CB 4.14Å; L27-W35 HydrophobicContact CB-CD2 4.31Å; L27-W35 HydrophobicContact CB-CE3 3.68Å; L27-W35 HydrophobicContact CB-CZ3 4.48Å; L27-W35 HydrophobicContact CD1-CB 3.94Å; L27-W35 HydrophobicContact CD1-CD2 4.38Å; L27-W35 HydrophobicContact CD1-CE3 4.49Å; L27-W35 HydrophobicContact CD1-CG 4.15Å; L27-I37 HydrophobicContact CD2-CB 4.26Å; L27-I37 HydrophobicContact CD2-CG1 3.74Å
28T98.4Very high97.4Very high22 Ų2262.3 Ų62.314%0.13534%0.336CS..EExtended strand (participates in β ladder)trans-90.6112.6172.3-63.40000110K9 A11 I36K9-T28 HydrophobicContact CD-CG2 3.88Å; K9-T28 HydrophobicContact CG-CG2 4.2Å; A11-T28 WeakPolarHBondContact CA-OG1 3.42Å; A11-T28 WeakPolarHBondContact CB-OG1 3.27Å; T28-I36 PolarHBondContact N-O 3.32Å; T28-I36 PolarHBondContact O-N 3.15Å
29S97.9Very high97.4Very high46 Ų4661.8 Ų61.832%0.32233%0.331SS..EExtended strand (participates in β ladder)trans-70.7136.9174.2-170.90000111.6K9 G31K9-S29 PolarHBondContact NZ-O 2.97Å; S29-G31 PolarHBondContact OG-N 3Å
30V97.2Very high97.5Very high34 Ų3455.5 Ų55.521%0.20631%0.307CS..EExtended strand (participates in β ladder)trans-111.69.1169.6-62.40000113.2W8 K9 I34 I36W8-V30 HydrophobicContact CH2-CG2 4.33Å; W8-V30 HydrophobicContact CZ2-CG2 4.41Å; K9-V30 HydrophobicContact CB-CG1 3.82Å; K9-V30 HydrophobicContact CD-CG1 3.82Å; K9-V30 HydrophobicContact CG-CG1 4.44Å; V30-I34 HydrophobicContact CG2-CB 3.57Å; V30-I34 HydrophobicContact CG2-CG2 3.38Å; V30-I34 PolarHBondContact N-O 3.32Å; V30-I36 HydrophobicContact CG1-CD1 3.53Å; V30-I36 HydrophobicContact CG1-CG1 4.01Å
31G95.5Very high97.6Very high32 Ų3255.2 Ų55.233%0.3331%0.309SS..EExtended strand (participates in β ladder)trans100.8167.1-175.200000112.9S29 N33 I34S29-G31 PolarHBondContact OG-N 3Å; G31-N33 VanDerWaalsContact C-N 3.27Å; G31-N33 PolarHBondContact O-N 3.09Å; G31-N33 VanDerWaalsContact O-N 3.07Å; G31-I34 WeakPolarHBondContact O-CB 3.46Å; G31-I34 PolarHBondContact O-N 3.19Å
32D96Very high97.7Very high159 Ų15952.6 Ų52.685%0.8529%0.29SS*.THydrogen-bonded Turntrans48.339.2172.2-58.8-29.7000116.1I34D32-I34 PolarHBondContact O-N 3.28Å
33N96.5Very high97.6Very high135 Ų13556 Ų5672%0.72231%0.314SS*.THydrogen-bonded Turntrans5827.8-176.3-16032.6000114.1G31 W35G31-N33 VanDerWaalsContact C-N 3.27Å; G31-N33 PolarHBondContact O-N 3.09Å; G31-N33 VanDerWaalsContact O-N 3.07Å; N33-W35 VanDerWaalsContact O-CD1 3.27Å; N33-W35 PolarHBondContact O-NE1 2.88Å; N33-W35 PolarHBondContact OD1-NE1 3.18Å
34I98.3Very high97.4Very high80 Ų8059.2 Ų59.241%0.4133%0.329SS..EExtended strand (participates in β ladder)trans-101.4132.7173.2-54.2172.1000108.6V30 G31 D32V30-I34 HydrophobicContact CG2-CB 3.57Å; V30-I34 HydrophobicContact CG2-CG2 3.38Å; V30-I34 PolarHBondContact N-O 3.32Å; G31-I34 WeakPolarHBondContact O-CB 3.46Å; G31-I34 PolarHBondContact O-N 3.19Å; D32-I34 PolarHBondContact O-N 3.28Å
35W98.4Very high97.2Very high130 Ų13064.8 Ų64.849%0.49235%0.347SS..EExtended strand (participates in β ladder)trans-131.4144.2-171.8-5792000110.9L27 N33L27-W35 HydrophobicContact CB-CB 4.14Å; L27-W35 HydrophobicContact CB-CD2 4.31Å; L27-W35 HydrophobicContact CB-CE3 3.68Å; L27-W35 HydrophobicContact CB-CZ3 4.48Å; L27-W35 HydrophobicContact CD1-CB 3.94Å; L27-W35 HydrophobicContact CD1-CD2 4.38Å; L27-W35 HydrophobicContact CD1-CE3 4.49Å; L27-W35 HydrophobicContact CD1-CG 4.15Å; N33-W35 VanDerWaalsContact O-CD1 3.27Å; N33-W35 PolarHBondContact O-NE1 2.88Å; N33-W35 PolarHBondContact OD1-NE1 3.18Å
36I98.5Very high97Very high11 Ų1163.6 Ų63.66%0.05635%0.345CS..EExtended strand (participates in β ladder)trans-112.6126.1173.6-60177.6000108.5V2 K9 A11 T28 V30V2-I36 HydrophobicContact CG1-CD1 4.22Å; V2-I36 HydrophobicContact CG1-CG1 4.23Å; V2-I36 HydrophobicContact CG1-CG2 4.14Å; V2-I36 HydrophobicContact CG2-CD1 4.28Å; K9-I36 HydrophobicContact CB-CD1 4.3Å; A11-I36 HydrophobicContact CB-CB 4.28Å; A11-I36 HydrophobicContact CB-CG2 3.66Å; T28-I36 PolarHBondContact N-O 3.32Å; T28-I36 PolarHBondContact O-N 3.15Å; V30-I36 HydrophobicContact CG1-CD1 3.53Å; V30-I36 HydrophobicContact CG1-CG1 4.01Å
37I98.4Very high96.9Very high63 Ų6359 Ų5932%0.32332%0.323SS..  trans-70.4131174-60.6174.1000109.2I23 L27 E55 T56I23-I37 HydrophobicContact CG2-CG2 3.48Å; I23-I37 VanDerWaalsContact CG2-CG2 3.48Å; L27-I37 HydrophobicContact CD2-CB 4.26Å; L27-I37 HydrophobicContact CD2-CG1 3.74Å; I37-E55 HydrophobicContact CG2-CG 4.11Å; I37-T56 HydrophobicContact CD1-CG2 3.98Å; I37-T56 WeakPolarHBondContact CD1-OG1 3.2Å
38P98.4Very high96.9Very high1 Ų162.5 Ų62.51%0.00634%0.338CS..  trans-69.6152.4175.531.1-35.8000111P12 L14 E55P12-P38 WeakPolarHBondContact O-CB 3.31Å; L14-P38 HydrophobicContact CD1-CG 3.77Å; L14-P38 HydrophobicContact CD2-CB 4.25Å; L14-P38 HydrophobicContact CD2-CG 4.16Å; L14-P38 HydrophobicContact CG-CB 3.99Å; L14-P38 HydrophobicContact CG-CG 3.76Å; P38-E55 WeakPolarHBondContact O-CG 3.36Å
39G98.4Very high96.9Very high0 Ų062.7 Ų62.70%034%0.338CS..  trans-78.7177.4166.200000111.3Y13 L14 M51Y13-G39 CarbonylContact C-O 3.55Å; Y13-G39 VanDerWaalsContact CA-O 3.31Å; Y13-G39 WeakPolarHBondContact CA-O 3.4Å; L14-G39 PolarHBondContact N-O 3.22Å; G39-M51 CarbonylContact C-O 3.34Å; G39-M51 WeakPolarHBondContact CA-O 3.29Å
40L98.7Very high97Very high0 Ų063.8 Ų63.80%034%0.343CS..EExtended strand (participates in β ladder)trans-111.4151172.7-53.7176.9000111.6Y13 L14 V16 I23 V50 M51 E55 I87 F90Y13-L40 WeakPolarHBondContact CD1-O 3.35Å; L14-L40 HydrophobicContact CB-CD2 3.78Å; L14-L40 HydrophobicContact CD1-CD2 4.35Å; L14-L40 HydrophobicContact CG-CD2 4.34Å; L14-L40 CarbonylContact O-C 3.54Å; L14-L40 WeakPolarHBondContact O-CA 3.49Å; V16-L40 HydrophobicContact CG1-CD1 4.48Å; I23-L40 HydrophobicContact CD1-CD2 4.41Å; I23-L40 HydrophobicContact CG1-CD2 4.23Å; L40-V50 WeakPolarHBondContact O-CA 3.36Å; L40-M51 HydrophobicContact CB-CG 3.81Å; L40-M51 HydrophobicContact CB-SD 4.34Å; L40-M51 HydrophobicContact CD1-SD 4Å; L40-M51 HydrophobicContact CG-CG 4.33Å; L40-M51 HydrophobicContact CG-SD 4.41Å; L40-M51 PolarHBondContact N-O 2.93Å; L40-M51 VanDerWaalsContact N-O 3.08Å; L40-M51 PolarHBondContact O-N 3.43Å; L40-E55 HydrophobicContact CD1-CB 3.77Å; L40-E55 HydrophobicContact CG-CB 3.81Å; L40-E55 HydrophobicContact CG-CG 4.46Å; L40-I87 HydrophobicContact CD1-CD1 3.49Å; L40-I87 VanDerWaalsContact CD1-CD1 3.49Å; L40-I87 HydrophobicContact CD1-CG2 4.36Å; L40-F90 HydrophobicContact CB-CE1 3.96Å; L40-F90 HydrophobicContact CB-CZ 4.45Å
41C98.7Very high97Very high21 Ų2162.3 Ų62.314%0.14233%0.334CS..EExtended strand (participates in β ladder)trans-136.5149.4173.569.60000113.5Y13 L14 S15 V16 N49 V50Y13-C41 HydrophobicContact CD1-CB 4.3Å; Y13-C41 HydrophobicContact CG-CB 4.05Å; L14-C41 PolarHBondContact O-N 2.87Å; S15-C41 CarbonylContact C-O 3.58Å; S15-C41 WeakPolarHBondContact CA-O 3.33Å; S15-C41 PolarHBondContact OG-SG 2.77Å; V16-C41 WeakPolarHBondContact CG2-O 3.13Å; V16-C41 PolarHBondContact N-O 3.29Å; C41-N49 CarbonylContact C-O 3.55Å; C41-N49 WeakPolarHBondContact CA-O 3.37Å; C41-N49 WeakPolarHBondContact CB-O 3.36Å; C41-V50 HydrophobicContact CB-CG1 4.11Å
42V98.1Very high97.1Very high5 Ų562 Ų623%0.0332%0.323CS..EExtended strand (participates in β ladder)trans-111.9138.3166.1-176.30000107.7V16 H44 N47 H48 N49 D89 F90V16-V42 HydrophobicContact CG2-CB 4.21Å; V16-V42 HydrophobicContact CG2-CG2 3.28Å; V42-H44 WeakPolarHBondContact CG1-CD2 3.34Å; V42-H44 WeakPolarHBondContact CG1-NE2 3.41Å; V42-N47 HydrophobicContact CG1-CB 3.83Å; V42-H48 WeakPolarHBondContact O-CA 3.32Å; V42-N49 HydrophobicContact CB-CB 4.02Å; V42-N49 HydrophobicContact CG2-CB 4.21Å; V42-N49 PolarHBondContact N-O 3.25Å; V42-N49 PolarHBondContact O-N 3.38Å; V42-D89 VanDerWaalsContact CG2-OD1 3.32Å; V42-D89 WeakPolarHBondContact CG2-OD1 3.46Å; V42-F90 HydrophobicContact CG2-CD1 3.57Å; V42-F90 HydrophobicContact CG2-CE1 3.53Å; V42-F90 HydrophobicContact CG2-CG 4.16Å; V42-F90 HydrophobicContact CG2-CZ 4.07Å
43S96.6Very high97.2Very high91 Ų9156 Ų5664%0.63630%0.299SS*.EExtended strand (participates in β ladder)trans-147.778.9178.2-173.10000111.1
44H91.5Very high97.3Very high69 Ų6951.3 Ų51.332%0.31927%0.272SS..EExtended strand (participates in β ladder)trans-133.4166.8170.25484.1000110.7V42 D46 N47 H48 D89V42-H44 WeakPolarHBondContact CG1-CD2 3.34Å; V42-H44 WeakPolarHBondContact CG1-NE2 3.41Å; H44-D46 VanDerWaalsContact C-N 3.27Å; H44-D46 IonicContact CE1-OD1 2.67Å; H44-D46 PolarHBondContact CE1-OD1 3.26Å; H44-D46 IonicContact CE1-OD2 3.69Å; H44-D46 IonicContact CG-OD1 3.86Å; H44-D46 IonicContact ND1-OD1 3.69Å; H44-D46 PolarHBondContact ND1-OD1 3.12Å; H44-D46 IonicContact ND1-OD2 2.95Å; H44-D46 PolarHBondContact O-N 3.29Å; H44-D46 VanDerWaalsContact O-N 3.08Å; H44-N47 WeakPolarHBondContact CE1-CB 3.27Å; H44-N47 PolarHBondContact N-O 2.78Å; H44-N47 PolarHBondContact ND1-N 3.25Å; H44-N47 CarbonylContact O-C 3.56Å; H44-N47 VanDerWaalsContact O-C 3.31Å; H44-N47 PolarHBondContact O-N 2.83Å; H44-H48 PolarHBondContact O-CE1 3.46Å; H44-H48 PolarHBondContact O-ND1 3.19Å; H44-D89 IonicContact NE2-OD1 3.8Å
45D92.7Very high97.3Very high168 Ų16847.7 Ų47.790%0.89825%0.254SS*.THydrogen-bonded Turntrans-53.3-37.6-165.9-68.4-14.3000114.5
46D92.8Very high97.2Very high108 Ų10844.5 Ų44.558%0.57825%0.248SC*.THydrogen-bonded Turntrans-98.2-1.1179.470.9-61.8000114.4H44 R91H44-D46 VanDerWaalsContact C-N 3.27Å; H44-D46 IonicContact CE1-OD1 2.67Å; H44-D46 PolarHBondContact CE1-OD1 3.26Å; H44-D46 IonicContact CE1-OD2 3.69Å; H44-D46 IonicContact CG-OD1 3.86Å; H44-D46 IonicContact ND1-OD1 3.69Å; H44-D46 PolarHBondContact ND1-OD1 3.12Å; H44-D46 IonicContact ND1-OD2 2.95Å; H44-D46 PolarHBondContact O-N 3.29Å; H44-D46 VanDerWaalsContact O-N 3.08Å; D46-R91 PolarHBondContact O-NH1 2.72Å; D46-R91 IonicContact OD2-CZ 3.61Å; D46-R91 IonicContact OD2-NH2 2.87Å; D46-R91 PolarHBondContact OD2-NH2 3.06Å
47N96Very high97Very high5 Ų548.9 Ų48.93%0.02727%0.269CS..EExtended strand (participates in β ladder)trans-148.3118.6178.1-161.79.3000113V42 H44 N49 D89 F90 R91V42-N47 HydrophobicContact CG1-CB 3.83Å; H44-N47 WeakPolarHBondContact CE1-CB 3.27Å; H44-N47 PolarHBondContact N-O 2.78Å; H44-N47 PolarHBondContact ND1-N 3.25Å; H44-N47 CarbonylContact O-C 3.56Å; H44-N47 VanDerWaalsContact O-C 3.31Å; H44-N47 PolarHBondContact O-N 2.83Å; N47-N49 PolarHBondContact OD1-ND2 3.31Å; N47-D89 PolarHBondContact ND2-OD1 2.8Å; N47-F90 PolarHBondContact ND2-O 3.33Å; N47-R91 VanDerWaalsContact CB-NH1 3.29Å; N47-R91 VanDerWaalsContact CG-NH1 3.26Å; N47-R91 WeakPolarHBondContact ND2-CD 3.35Å; N47-R91 PolarHBondContact ND2-NE 2.86Å; N47-R91 PolarHBondContact OD1-NH1 3.3Å
48H98.3Very high96.9Very high132 Ų13245.9 Ų45.961%0.61125%0.253SS*.EExtended strand (participates in β ladder)trans-121.6112.9167.3-64.377.4000107.5V42 H44V42-H48 WeakPolarHBondContact O-CA 3.32Å; H44-H48 PolarHBondContact O-CE1 3.46Å; H44-H48 PolarHBondContact O-ND1 3.19Å
49N98.6Very high96.7Very high26 Ų2649.1 Ų49.114%0.13927%0.27CS..EExtended strand (participates in β ladder)trans-144.7151.5-169.6-119.7-64.7000112.3C41 V42 N47 F90 T92C41-N49 CarbonylContact C-O 3.55Å; C41-N49 WeakPolarHBondContact CA-O 3.37Å; C41-N49 WeakPolarHBondContact CB-O 3.36Å; V42-N49 HydrophobicContact CB-CB 4.02Å; V42-N49 HydrophobicContact CG2-CB 4.21Å; V42-N49 PolarHBondContact N-O 3.25Å; V42-N49 PolarHBondContact O-N 3.38Å; N47-N49 PolarHBondContact OD1-ND2 3.31Å; N49-F90 HydrophobicContact CB-CD2 3.97Å; N49-F90 HydrophobicContact CB-CE2 3.53Å; N49-F90 HydrophobicContact CB-CZ 4.03Å; N49-T92 VanDerWaalsContact OD1-CB 3.27Å; N49-T92 WeakPolarHBondContact OD1-CB 3.13Å; N49-T92 PolarHBondContact OD1-OG1 3.3Å
50V98.5Very high96.2Very high69 Ų6950.5 Ų50.542%0.41828%0.284SS..EExtended strand (participates in β ladder)trans-141.6148.2177.9-660000111.6Y13 L40 C41 K78Y13-V50 HydrophobicContact CD1-CG1 4.47Å; Y13-V50 HydrophobicContact CE1-CB 3.89Å; Y13-V50 HydrophobicContact CE1-CG1 4.07Å; Y13-V50 HydrophobicContact CE2-CG1 4.26Å; L40-V50 WeakPolarHBondContact O-CA 3.36Å; C41-V50 HydrophobicContact CB-CG1 4.11Å; V50-K78 PolarHBondContact O-NZ 3.26Å
51M98.4Very high95.6Very high3 Ų351 Ų512%0.01529%0.288CS..EExtended strand (participates in β ladder)trans-139.7151.1165.765.5169.974.700110.5Y13 G39 L40 E54 E55 K78 V80 F90Y13-M51 WeakPolarHBondContact CE1-O 3.5Å; G39-M51 CarbonylContact C-O 3.34Å; G39-M51 WeakPolarHBondContact CA-O 3.29Å; L40-M51 HydrophobicContact CB-CG 3.81Å; L40-M51 HydrophobicContact CB-SD 4.34Å; L40-M51 HydrophobicContact CD1-SD 4Å; L40-M51 HydrophobicContact CG-CG 4.33Å; L40-M51 HydrophobicContact CG-SD 4.41Å; L40-M51 PolarHBondContact N-O 2.93Å; L40-M51 VanDerWaalsContact N-O 3.08Å; L40-M51 PolarHBondContact O-N 3.43Å; M51-E54 HydrophobicContact CB-CB 4.38Å; M51-E54 HydrophobicContact SD-CB 4.04Å; M51-E55 HydrophobicContact SD-CB 4.18Å; M51-K78 HydrophobicContact CB-CD 4.24Å; M51-K78 HydrophobicContact CE-CB 4.36Å; M51-K78 HydrophobicContact CE-CG 4.45Å; M51-V80 HydrophobicContact CE-CG2 3.67Å; M51-F90 HydrophobicContact CB-CE2 4.28Å; M51-F90 HydrophobicContact CB-CZ 4.47Å; M51-F90 HydrophobicContact CE-CB 3.91Å; M51-F90 HydrophobicContact CE-CD1 3.68Å; M51-F90 HydrophobicContact CE-CD2 3.53Å; M51-F90 HydrophobicContact CE-CE1 3.99Å; M51-F90 HydrophobicContact CE-CE2 3.85Å; M51-F90 HydrophobicContact CE-CG 3.42Å; M51-F90 VanDerWaalsContact CE-CG 3.42Å; M51-F90 HydrophobicContact CE-CZ 4.08Å; M51-F90 HydrophobicContact CG-CE1 4.47Å; M51-F90 HydrophobicContact CG-CE2 4.31Å; M51-F90 HydrophobicContact CG-CZ 4.1Å
52R98.1Very high95.2Very high26 Ų2652.8 Ų52.810%0.09829%0.292CS..SBendtrans-15594.5-178.9-171.6174.3-67.8-82.66.8111.1M1 G3 A11 Y13 E54 E55M1-R52 HydrophobicContact SD-CB 4.42Å; M1-R52 HydrophobicContact SD-CG 4.46Å; G3-R52 PolarHBondContact O-NH1 3.38Å; A11-R52 VanDerWaalsContact O-CZ 3.29Å; A11-R52 PolarHBondContact O-NH1 3.24Å; A11-R52 PolarHBondContact O-NH2 3.34Å; Y13-R52 HydrophobicContact CE1-CB 4.44Å; Y13-R52 VanDerWaalsContact CE2-NH2 3.34Å; Y13-R52 PolarHBondContact OH-NE 2.89Å; R52-E54 PolarHBondContact N-OE2 3.31Å; R52-E55 WeakPolarHBondContact CA-OE2 3.45Å
53G97Very high94.5Very high34 Ų3455.9 Ų55.935%0.35132%0.318SS..SBendtrans126.5-41.6-175.300000110.4E55 T56G53-E55 VanDerWaalsContact C-N 3.28Å; G53-E55 VanDerWaalsContact CA-OE1 3.32Å; G53-E55 WeakPolarHBondContact CA-OE1 3.09Å; G53-E55 VanDerWaalsContact N-CD 3.28Å; G53-E55 PolarHBondContact N-OE1 3.06Å; G53-E55 PolarHBondContact N-OE2 3.01Å; G53-E55 PolarHBondContact O-N 3.38Å; G53-T56 WeakPolarHBondContact O-CB 3.22Å; G53-T56 PolarHBondContact O-N 2.81Å; G53-T56 VanDerWaalsContact O-N 3.12Å
54E98.2Very high93.6Very high36 Ų3656.4 Ų56.417%0.16831%0.313CS..Hα-helixtrans-64.9-30.6-178.6-58.694147.200112.2M51 R52 T56 Q57 L58 M72 K78M51-E54 HydrophobicContact CB-CB 4.38Å; M51-E54 HydrophobicContact SD-CB 4.04Å; R52-E54 PolarHBondContact N-OE2 3.31Å; E54-T56 PolarHBondContact O-N 3.19Å; E54-Q57 WeakPolarHBondContact O-CB 3.18Å; E54-Q57 PolarHBondContact O-N 2.87Å; E54-L58 WeakPolarHBondContact O-CB 3.39Å; E54-L58 PolarHBondContact O-N 3.45Å; E54-M72 HydrophobicContact CB-CE 3.94Å; E54-M72 HydrophobicContact CB-SD 4.21Å; E54-M72 VanDerWaalsContact O-CE 3.29Å; E54-M72 WeakPolarHBondContact O-CE 3.41Å; E54-K78 HydrophobicContact CB-CG 4.17Å; E54-K78 HydrophobicContact CG-CG 3.84Å; E54-K78 WeakPolarHBondContact OE1-CE 3.29Å
55E98Very high93Very high4 Ų454.7 Ų54.72%0.01931%0.311CS..Hα-helixtrans-59.8-30.2175.172.7-66.3143.100112.9I23 I37 P38 L40 M51 R52 G53 L58 I59I23-E55 HydrophobicContact CD1-CB 4.24Å; I23-E55 HydrophobicContact CG2-CG 4.45Å; I37-E55 HydrophobicContact CG2-CG 4.11Å; P38-E55 WeakPolarHBondContact O-CG 3.36Å; L40-E55 HydrophobicContact CD1-CB 3.77Å; L40-E55 HydrophobicContact CG-CB 3.81Å; L40-E55 HydrophobicContact CG-CG 4.46Å; M51-E55 HydrophobicContact SD-CB 4.18Å; R52-E55 WeakPolarHBondContact CA-OE2 3.45Å; G53-E55 VanDerWaalsContact C-N 3.28Å; G53-E55 VanDerWaalsContact CA-OE1 3.32Å; G53-E55 WeakPolarHBondContact CA-OE1 3.09Å; G53-E55 VanDerWaalsContact N-CD 3.28Å; G53-E55 PolarHBondContact N-OE1 3.06Å; G53-E55 PolarHBondContact N-OE2 3.01Å; G53-E55 PolarHBondContact O-N 3.38Å; E55-L58 PolarHBondContact O-N 3.43Å; E55-I59 WeakPolarHBondContact O-CG1 3.49Å; E55-I59 PolarHBondContact O-N 3.39Å; E55-I59 VanDerWaalsContact O-N 3.14Å
56T97.4Very high92.5Very high62 Ų6249.9 Ų49.938%0.3829%0.289SS..Hα-helixtrans-71.4-40.1176.6-55.30000110.9I37 G53 E54 L58I37-T56 HydrophobicContact CD1-CG2 3.98Å; I37-T56 WeakPolarHBondContact CD1-OG1 3.2Å; G53-T56 WeakPolarHBondContact O-CB 3.22Å; G53-T56 PolarHBondContact O-N 2.81Å; G53-T56 VanDerWaalsContact O-N 3.12Å; E54-T56 PolarHBondContact O-N 3.19Å; T56-L58 VanDerWaalsContact C-N 3.34Å
57Q94.7Very high92.1Very high104 Ų10445.4 Ų45.449%0.48627%0.266SS..Hα-helixtrans-66.7-38.4173.4-66.4176.5-64.600111.2E54 I59 G60 A61 M72 V185E54-Q57 WeakPolarHBondContact O-CB 3.18Å; E54-Q57 PolarHBondContact O-N 2.87Å; Q57-I59 PolarHBondContact O-N 3.5Å; Q57-G60 PolarHBondContact O-N 2.94Å; Q57-G60 VanDerWaalsContact O-N 3.13Å; Q57-A61 PolarHBondContact O-N 3.04Å; Q57-M72 HydrophobicContact CB-CE 3.52Å; Q57-V185 HydrophobicContact CB-CG1 4.22Å
58L95.8Very high91.6Very high0 Ų046.9 Ų46.90%028%0.277CS..Hα-helixtrans-62.6-39.3179.9-174.371.8000112.3F20 E54 E55 T56 G60 A61 R62 Y70 M72 V80 I87F20-L58 HydrophobicContact CE1-CD2 3.95Å; F20-L58 HydrophobicContact CE1-CG 3.95Å; E54-L58 WeakPolarHBondContact O-CB 3.39Å; E54-L58 PolarHBondContact O-N 3.45Å; E55-L58 PolarHBondContact O-N 3.43Å; T56-L58 VanDerWaalsContact C-N 3.34Å; L58-G60 VanDerWaalsContact C-N 3.29Å; L58-G60 PolarHBondContact O-N 3.3Å; L58-A61 PolarHBondContact O-N 3.06Å; L58-R62 WeakPolarHBondContact O-CB 3.49Å; L58-R62 PolarHBondContact O-N 3.48Å; L58-Y70 HydrophobicContact CD1-CD1 3.9Å; L58-Y70 HydrophobicContact CD1-CD2 3.55Å; L58-Y70 HydrophobicContact CD1-CE2 4.22Å; L58-Y70 HydrophobicContact CD1-CG 3.37Å; L58-M72 HydrophobicContact CB-CE 4.35Å; L58-M72 HydrophobicContact CB-SD 4.34Å; L58-M72 HydrophobicContact CD1-SD 4.22Å; L58-V80 HydrophobicContact CD1-CB 4.27Å; L58-V80 HydrophobicContact CD1-CG1 4.24Å; L58-V80 HydrophobicContact CD2-CG1 3.77Å; L58-I87 HydrophobicContact CD2-CD1 3.61Å; L58-I87 HydrophobicContact CD2-CG1 3.88Å; L58-I87 HydrophobicContact CD2-CG2 4.34Å
59I94.9Very high91.3Very high68 Ų6840.6 Ų40.635%0.34925%0.248SC..Hα-helixtrans-57-45.9172.6-68.9164.1000110.5F20 I23 E55 Q57 R62 A63F20-I59 HydrophobicContact CD1-CG1 4.48Å; I23-I59 HydrophobicContact CB-CD1 3.99Å; I23-I59 HydrophobicContact CD1-CD1 3.85Å; I23-I59 HydrophobicContact CD1-CG1 3.99Å; I23-I59 HydrophobicContact CG2-CD1 3.74Å; E55-I59 WeakPolarHBondContact O-CG1 3.49Å; E55-I59 PolarHBondContact O-N 3.39Å; E55-I59 VanDerWaalsContact O-N 3.14Å; Q57-I59 PolarHBondContact O-N 3.5Å; I59-R62 PolarHBondContact O-N 3.4Å; I59-A63 PolarHBondContact O-N 2.96Å
60G86.8Confident91.1Very high30 Ų3039.4 Ų39.431%0.30924%0.241SC..Hα-helixtrans-64.1-46.8176.700000112.3Q57 L58 R62 A63 L64Q57-G60 PolarHBondContact O-N 2.94Å; Q57-G60 VanDerWaalsContact O-N 3.13Å; L58-G60 VanDerWaalsContact C-N 3.29Å; L58-G60 PolarHBondContact O-N 3.3Å; G60-R62 VanDerWaalsContact C-N 3.31Å; G60-R62 PolarHBondContact O-N 2.96Å; G60-A63 PolarHBondContact O-N 3.47Å; G60-A63 VanDerWaalsContact O-N 3.16Å; G60-L64 WeakPolarHBondContact O-CG 3.38Å; G60-L64 PolarHBondContact O-N 3.02Å
61A86.7Confident90.9Very high10 Ų1036.1 Ų36.18%0.08322%0.221CC..Hα-helixtrans-60.3-40.6177.900000111.8Q57 L58 A63 L64 A65 Y70 T183 V185Q57-A61 PolarHBondContact O-N 3.04Å; L58-A61 PolarHBondContact O-N 3.06Å; A61-A63 VanDerWaalsContact C-N 3.28Å; A61-A63 PolarHBondContact O-N 3.04Å; A61-L64 PolarHBondContact O-N 3.37Å; A61-A65 CarbonylContact O-C 3.56Å; A61-A65 WeakPolarHBondContact O-CA 3.35Å; A61-A65 PolarHBondContact O-N 3.44Å; A61-Y70 HydrophobicContact CB-CD1 3.8Å; A61-Y70 HydrophobicContact CB-CE1 3.82Å; A61-T183 HydrophobicContact CB-CG2 4.48Å; A61-V185 HydrophobicContact CB-CG1 4.46Å; A61-V185 HydrophobicContact CB-CG2 3.5Å
62R90.1Very high90.9Very high59 Ų5936.2 Ų36.222%0.22322%0.222CC..Hα-helixtrans-60-36.9176.2174.260.8-170.794.52.2113.1F20 L58 I59 G60 P66 Y70 S84F20-R62 HydrophobicContact CD1-CB 4.44Å; F20-R62 HydrophobicContact CD1-CG 4.38Å; F20-R62 HydrophobicContact CD2-CG 4.15Å; F20-R62 HydrophobicContact CE1-CB 3.94Å; F20-R62 HydrophobicContact CE1-CG 4.1Å; F20-R62 HydrophobicContact CE2-CG 3.88Å; F20-R62 HydrophobicContact CG-CG 4.41Å; F20-R62 HydrophobicContact CZ-CB 3.99Å; F20-R62 HydrophobicContact CZ-CG 3.84Å; L58-R62 WeakPolarHBondContact O-CB 3.49Å; L58-R62 PolarHBondContact O-N 3.48Å; I59-R62 PolarHBondContact O-N 3.4Å; G60-R62 VanDerWaalsContact C-N 3.31Å; G60-R62 PolarHBondContact O-N 2.96Å; R62-P66 VanDerWaalsContact NH1-CB 3.33Å; R62-Y70 WeakPolarHBondContact CA-OH 3.5Å; R62-Y70 VanDerWaalsContact CD-OH 3.32Å; R62-Y70 WeakPolarHBondContact CD-OH 3.15Å; R62-S84 PolarHBondContact NE-O 2.82Å; R62-S84 VanDerWaalsContact NH2-CB 3.35Å; R62-S84 PolarHBondContact NH2-O 2.87Å
63A83.8Confident90.8Very high69 Ų6935.6 Ų35.657%0.5722%0.221SC*.Hα-helixtrans-76.4-41.417800000112.4I59 G60 A61I59-A63 PolarHBondContact O-N 2.96Å; G60-A63 PolarHBondContact O-N 3.47Å; G60-A63 VanDerWaalsContact O-N 3.16Å; A61-A63 VanDerWaalsContact C-N 3.28Å; A61-A63 PolarHBondContact O-N 3.04Å
64L76.7Confident90.6Very high103 Ų10335.2 Ų35.254%0.53922%0.218SC..Hα-helixtrans-85.9-34-173.3-65.1171.9000113.7G60 A61 G306G60-L64 WeakPolarHBondContact O-CG 3.38Å; G60-L64 PolarHBondContact O-N 3.02Å; A61-L64 PolarHBondContact O-N 3.37Å; L64-G306 WeakPolarHBondContact O-CA 3.14Å
65A78.9Confident90.4Very high33 Ų3337.8 Ų37.827%0.27324%0.235SC..SBendtrans-146.879.7-177.500000109.5A61 S67 Y70 T183A61-A65 CarbonylContact O-C 3.56Å; A61-A65 WeakPolarHBondContact O-CA 3.35Å; A61-A65 PolarHBondContact O-N 3.44Å; A65-S67 PolarHBondContact O-N 2.96Å; A65-Y70 WeakPolarHBondContact O-CE1 3.38Å; A65-Y70 PolarHBondContact O-OH 3.23Å; A65-T183 HydrophobicContact CB-CG2 3.75Å; A65-T183 PolarHBondContact O-OG1 3.21Å
66P82.6Confident90.4Very high66 Ų6640.9 Ų40.943%0.42925%0.25SS..  trans-53135.7174.2-19.426.4000111.5R62 Y70R62-P66 VanDerWaalsContact NH1-CB 3.33Å; P66-Y70 WeakPolarHBondContact CA-OH 3.41Å
67S83.7Confident90.5Very high14 Ų1438 Ų3810%0.09823%0.232CC..  trans-157155.2-177.9-171.90000110.2A65 L69 Y70 A181 T183A65-S67 PolarHBondContact O-N 2.96Å; S67-L69 VanDerWaalsContact C-N 3.3Å; S67-L69 WeakPolarHBondContact CB-O 3.26Å; S67-L69 PolarHBondContact OG-N 2.81Å; S67-L69 PolarHBondContact OG-O 3.24Å; S67-Y70 PolarHBondContact N-OH 2.83Å; S67-Y70 WeakPolarHBondContact O-CE2 3.41Å; S67-Y70 PolarHBondContact O-OH 3.5Å; S67-A181 PolarHBondContact OG-O 2.91Å; S67-T183 VanDerWaalsContact CB-OG1 3.27Å; S67-T183 WeakPolarHBondContact CB-OG1 3.41Å; S67-T183 PolarHBondContact OG-N 2.94Å
68S87.1Confident90.6Very high37 Ų3733.4 Ų33.426%0.25921%0.211SC..SBendtrans-78.5-21169.753.10000112.7Q81 A82 H180S68-Q81 WeakPolarHBondContact O-CA 3.44Å; S68-A82 CarbonylContact C-O 3.31Å; S68-A82 VanDerWaalsContact CA-O 3.26Å; S68-A82 WeakPolarHBondContact CA-O 3.28Å; S68-A82 PolarHBondContact O-N 2.88Å; S68-A82 VanDerWaalsContact O-O 3.13Å; S68-H180 WeakPolarHBondContact CB-ND1 3.32Å; S68-H180 VanDerWaalsContact OG-CA 3.28Å; S68-H180 WeakPolarHBondContact OG-CA 3.34Å; S68-H180 WeakPolarHBondContact OG-CB 3.26Å; S68-H180 PolarHBondContact OG-ND1 2.97Å
69L91.9Very high90.7Very high0 Ų033.4 Ų33.40%021%0.211CC..EExtended strand (participates in β ladder)trans-135.7130.1178.9-177.871.8000110.4S67 V71 W79 V80 Q81 Y175 V176 H180 A181 I182 T183S67-L69 VanDerWaalsContact C-N 3.3Å; S67-L69 WeakPolarHBondContact CB-O 3.26Å; S67-L69 PolarHBondContact OG-N 2.81Å; S67-L69 PolarHBondContact OG-O 3.24Å; L69-V71 HydrophobicContact CD2-CG2 4.11Å; L69-V71 HydrophobicContact CG-CG2 4.13Å; L69-W79 HydrophobicContact CD1-CE3 4.5Å; L69-W79 HydrophobicContact CD2-CE3 4.05Å; L69-W79 HydrophobicContact CD2-CZ3 4.19Å; L69-V80 WeakPolarHBondContact CA-O 3.36Å; L69-Q81 HydrophobicContact CD1-CG 4.08Å; L69-Y175 HydrophobicContact CD1-CD1 4.34Å; L69-Y175 HydrophobicContact CD1-CE1 3.97Å; L69-V176 HydrophobicContact CD2-CB 4.21Å; L69-V176 HydrophobicContact CD2-CG1 3.72Å; L69-V176 HydrophobicContact CD2-CG2 3.71Å; L69-H180 HydrophobicContact CB-CB 3.97Å; L69-A181 PolarHBondContact N-O 2.87Å; L69-I182 HydrophobicContact CD2-CD1 4.21Å; L69-I182 HydrophobicContact CD2-CG1 4.09Å; L69-I182 HydrophobicContact CD2-CG2 4.44Å; L69-T183 PolarHBondContact O-N 2.77Å
70Y93.2Very high90.8Very high0 Ų030.2 Ų30.20%019%0.194CC..EExtended strand (participates in β ladder)trans-113.7128.7172.7-60-92.6000109.1L58 A61 R62 A65 P66 S67 W79 V80 A82 T183 V185L58-Y70 HydrophobicContact CD1-CD1 3.9Å; L58-Y70 HydrophobicContact CD1-CD2 3.55Å; L58-Y70 HydrophobicContact CD1-CE2 4.22Å; L58-Y70 HydrophobicContact CD1-CG 3.37Å; A61-Y70 HydrophobicContact CB-CD1 3.8Å; A61-Y70 HydrophobicContact CB-CE1 3.82Å; R62-Y70 WeakPolarHBondContact CA-OH 3.5Å; R62-Y70 VanDerWaalsContact CD-OH 3.32Å; R62-Y70 WeakPolarHBondContact CD-OH 3.15Å; A65-Y70 WeakPolarHBondContact O-CE1 3.38Å; A65-Y70 PolarHBondContact O-OH 3.23Å; P66-Y70 WeakPolarHBondContact CA-OH 3.41Å; S67-Y70 PolarHBondContact N-OH 2.83Å; S67-Y70 WeakPolarHBondContact O-CE2 3.41Å; S67-Y70 PolarHBondContact O-OH 3.5Å; Y70-W79 CarbonylContact O-C 3.54Å; Y70-W79 WeakPolarHBondContact O-CA 3.37Å; Y70-V80 PolarHBondContact N-O 2.94Å; Y70-V80 PolarHBondContact O-N 3.08Å; Y70-A82 HydrophobicContact CD2-CB 4.27Å; Y70-A82 HydrophobicContact CE2-CB 3.99Å; Y70-T183 WeakPolarHBondContact CA-O 3.37Å; Y70-T183 HydrophobicContact CD1-CG2 3.82Å; Y70-T183 HydrophobicContact CE1-CG2 4.01Å; Y70-V185 HydrophobicContact CD1-CG2 4.39Å
71V95.7Very high91.1Very high0 Ų031 Ų310%019%0.19CC..EExtended strand (participates in β ladder)trans-116.2123.3175.8-178.60000107.2L69 P73 K78 W79 I182 T183 L184 V185 Y194 F198L69-V71 HydrophobicContact CD2-CG2 4.11Å; L69-V71 HydrophobicContact CG-CG2 4.13Å; V71-P73 HydrophobicContact CG1-CG 4.49Å; V71-P73 WeakPolarHBondContact O-CD 3.08Å; V71-K78 CarbonylContact C-O 3.55Å; V71-K78 WeakPolarHBondContact CA-O 3.46Å; V71-W79 HydrophobicContact CG1-CD2 4.08Å; V71-W79 HydrophobicContact CG1-CE3 4.41Å; V71-W79 HydrophobicContact CG1-CH2 4.45Å; V71-W79 HydrophobicContact CG1-CZ2 4.07Å; V71-W79 HydrophobicContact CG2-CD2 3.77Å; V71-W79 HydrophobicContact CG2-CE3 3.36Å; V71-W79 HydrophobicContact CG2-CG 4.44Å; V71-W79 HydrophobicContact CG2-CH2 4.25Å; V71-W79 HydrophobicContact CG2-CZ3 3.59Å; V71-I182 HydrophobicContact CB-CG2 4.33Å; V71-I182 HydrophobicContact CG2-CG2 3.77Å; V71-T183 PolarHBondContact N-O 2.75Å; V71-L184 HydrophobicContact CB-CD2 3.68Å; V71-L184 HydrophobicContact CG1-CD2 3.9Å; V71-L184 CarbonylContact O-C 3.59Å; V71-L184 WeakPolarHBondContact O-CA 3.36Å; V71-V185 PolarHBondContact O-N 3.41Å; V71-Y194 HydrophobicContact CG1-CD1 4.17Å; V71-Y194 HydrophobicContact CG1-CE1 4.25Å; V71-F198 HydrophobicContact CB-CZ 4.3Å; V71-F198 HydrophobicContact CG1-CE2 4.32Å; V71-F198 HydrophobicContact CG1-CZ 4.11Å; V71-F198 HydrophobicContact CG2-CZ 3.92Å
72M97.5Very high91.4Very high5 Ų530.8 Ų30.83%0.02519%0.188CC..EExtended strand (participates in β ladder)trans-12276.4-168.7-44-179.166.900109.5E54 Q57 L58 C77 K78 V80 V185E54-M72 HydrophobicContact CB-CE 3.94Å; E54-M72 HydrophobicContact CB-SD 4.21Å; E54-M72 VanDerWaalsContact O-CE 3.29Å; E54-M72 WeakPolarHBondContact O-CE 3.41Å; Q57-M72 HydrophobicContact CB-CE 3.52Å; L58-M72 HydrophobicContact CB-CE 4.35Å; L58-M72 HydrophobicContact CB-SD 4.34Å; L58-M72 HydrophobicContact CD1-SD 4.22Å; M72-C77 WeakPolarHBondContact O-CA 3.36Å; M72-K78 HydrophobicContact CB-CB 4.13Å; M72-K78 HydrophobicContact CG-CB 4.38Å; M72-K78 PolarHBondContact N-O 3.38Å; M72-K78 PolarHBondContact O-N 3.12Å; M72-K78 VanDerWaalsContact O-N 3.16Å; M72-K78 HydrophobicContact SD-CB 4.34Å; M72-V80 HydrophobicContact SD-CG2 4.08Å; M72-V185 HydrophobicContact CB-CB 4.42Å; M72-V185 HydrophobicContact CE-CB 4.25Å; M72-V185 HydrophobicContact CE-CG1 4.12Å; M72-V185 HydrophobicContact CG-CB 4.08Å; M72-V185 HydrophobicContact CG-CG2 4.29Å
73P95.6Very high91.2Very high14 Ų1430.9 Ų30.99%0.09119%0.193CC..  trans-56.8144-178.7-27.333.1000114.4V71 L184 A186 L190 Y194V71-P73 HydrophobicContact CG1-CG 4.49Å; V71-P73 WeakPolarHBondContact O-CD 3.08Å; P73-L184 HydrophobicContact CG-CD2 4.44Å; P73-A186 HydrophobicContact CB-CB 4.04Å; P73-A186 HydrophobicContact CG-CB 3.95Å; P73-L190 HydrophobicContact CB-CB 4.23Å; P73-L190 HydrophobicContact CB-CD1 4.32Å; P73-L190 HydrophobicContact CB-CD2 4.49Å; P73-Y194 HydrophobicContact CB-CD2 3.86Å; P73-Y194 HydrophobicContact CB-CE1 4.19Å; P73-Y194 HydrophobicContact CB-CE2 3.5Å; P73-Y194 VanDerWaalsContact CB-CE2 3.5Å; P73-Y194 HydrophobicContact CB-CG 4.36Å; P73-Y194 HydrophobicContact CG-CD1 3.75Å; P73-Y194 HydrophobicContact CG-CD2 3.64Å; P73-Y194 HydrophobicContact CG-CE1 3.78Å; P73-Y194 HydrophobicContact CG-CE2 3.72Å; P73-Y194 HydrophobicContact CG-CG 3.65Å
74G92.8Very high91.2Very high26 Ų2631.3 Ų31.327%0.26819%0.192SC..SBendtrans176.1-155.3173.700000112.3H76 G96G74-H76 PolarHBondContact O-N 3.22Å; G74-G96 PolarHBondContact O-N 3.39Å
75T95.5Very high91.7Very high89 Ų8931.4 Ų31.455%0.54619%0.189SC..SBendtrans-53.7-44169.7-56.30000110.7M94 G96 E97T75-M94 CarbonylContact O-C 3.54Å; T75-G96 PolarHBondContact O-N 3Å; T75-E97 HydrophobicContact CG2-CB 3.83Å; T75-E97 PolarHBondContact O-N 3.21Å
76H98Very high92.4Very high70 Ų7033 Ų3332%0.32419%0.192SC..SBendtrans-124.2104.2171.4-56.6145.2000108.5G74 T92 V93 E97G74-H76 PolarHBondContact O-N 3.22Å; H76-T92 HydrophobicContact CB-CG2 3.86Å; H76-V93 CarbonylContact C-O 3.6Å; H76-E97 IonicContact CD2-OE2 2.87Å; H76-E97 IonicContact CE1-OE2 3.2Å; H76-E97 IonicContact NE2-OE2 3.95Å; H76-E97 PolarHBondContact NE2-OE2 3.31Å
77C98.1Very high93.1Very high0 Ų029.9 Ų29.90%017%0.171CC..EExtended strand (participates in β ladder)trans-70.7132.5178.1-173.40000110.4M72 T92 V93 E168M72-C77 WeakPolarHBondContact O-CA 3.36Å; C77-T92 CarbonylContact O-C 3.37Å; C77-T92 VanDerWaalsContact O-CA 3.27Å; C77-T92 WeakPolarHBondContact O-CA 3.45Å; C77-V93 PolarHBondContact N-O 2.96Å; C77-V93 PolarHBondContact O-N 2.86Å; C77-E168 WeakPolarHBondContact CB-OE1 3.21Å; C77-E168 PolarHBondContact SG-OE1 2.9Å
78K98.2Very high93.7Very high9 Ų931.6 Ų31.64%0.03918%0.179CC..EExtended strand (participates in β ladder)trans-105.5129.2175.1-50.6-61.6175.3175.90110.3V50 M51 E54 V71 M72 V80 R91 T92V50-K78 PolarHBondContact O-NZ 3.26Å; M51-K78 HydrophobicContact CB-CD 4.24Å; M51-K78 HydrophobicContact CE-CB 4.36Å; M51-K78 HydrophobicContact CE-CG 4.45Å; E54-K78 HydrophobicContact CB-CG 4.17Å; E54-K78 HydrophobicContact CG-CG 3.84Å; E54-K78 WeakPolarHBondContact OE1-CE 3.29Å; V71-K78 CarbonylContact C-O 3.55Å; V71-K78 WeakPolarHBondContact CA-O 3.46Å; M72-K78 HydrophobicContact CB-CB 4.13Å; M72-K78 HydrophobicContact CG-CB 4.38Å; M72-K78 PolarHBondContact N-O 3.38Å; M72-K78 PolarHBondContact O-N 3.12Å; M72-K78 VanDerWaalsContact O-N 3.16Å; M72-K78 HydrophobicContact SD-CB 4.34Å; K78-V80 HydrophobicContact CB-CG2 4.09Å; K78-R91 WeakPolarHBondContact CA-O 3.39Å; K78-T92 HydrophobicContact CD-CG2 4.21Å; K78-T92 WeakPolarHBondContact CD-OG1 3.33Å; K78-T92 PolarHBondContact NZ-OG1 2.93Å
79W97.2Very high94.1Very high0 Ų030.9 Ų30.90%017%0.172CC..EExtended strand (participates in β ladder)trans-110.7106172.5-68.770.8000108.3L69 Y70 V71 F90 R91 E168 V169 M172 Y175 V176 F198L69-W79 HydrophobicContact CD1-CE3 4.5Å; L69-W79 HydrophobicContact CD2-CE3 4.05Å; L69-W79 HydrophobicContact CD2-CZ3 4.19Å; Y70-W79 CarbonylContact O-C 3.54Å; Y70-W79 WeakPolarHBondContact O-CA 3.37Å; V71-W79 HydrophobicContact CG1-CD2 4.08Å; V71-W79 HydrophobicContact CG1-CE3 4.41Å; V71-W79 HydrophobicContact CG1-CH2 4.45Å; V71-W79 HydrophobicContact CG1-CZ2 4.07Å; V71-W79 HydrophobicContact CG2-CD2 3.77Å; V71-W79 HydrophobicContact CG2-CE3 3.36Å; V71-W79 HydrophobicContact CG2-CG 4.44Å; V71-W79 HydrophobicContact CG2-CH2 4.25Å; V71-W79 HydrophobicContact CG2-CZ3 3.59Å; W79-F90 CarbonylContact O-C 3.57Å; W79-F90 WeakPolarHBondContact O-CA 3.37Å; W79-F90 WeakPolarHBondContact O-CB 2.82Å; W79-R91 PolarHBondContact N-O 3.33Å; W79-R91 PolarHBondContact O-N 2.97Å; W79-E168 HydrophobicContact CZ2-CG 4.03Å; W79-E168 PolarHBondContact NE1-OE1 3.33Å; W79-V169 HydrophobicContact CH2-CB 4.47Å; W79-V169 HydrophobicContact CH2-CG1 4.42Å; W79-V169 HydrophobicContact CH2-CG2 4.14Å; W79-V169 HydrophobicContact CZ2-CG2 4.11Å; W79-M172 HydrophobicContact CB-CE 3.75Å; W79-M172 HydrophobicContact CD2-CB 4.13Å; W79-M172 HydrophobicContact CD2-CE 4.02Å; W79-M172 HydrophobicContact CD2-CG 3.96Å; W79-M172 HydrophobicContact CE3-CB 4.08Å; W79-M172 HydrophobicContact CE3-CE 4.4Å; W79-M172 HydrophobicContact CE3-CG 4.42Å; W79-M172 HydrophobicContact CG-CE 3.75Å; W79-M172 HydrophobicContact CG-CG 4.34Å; W79-M172 HydrophobicContact CH2-CB 3.87Å; W79-M172 HydrophobicContact CH2-CG 4.41Å; W79-M172 HydrophobicContact CZ2-CB 3.97Å; W79-M172 HydrophobicContact CZ2-CG 3.99Å; W79-M172 HydrophobicContact CZ3-CB 4Å; W79-Y175 HydrophobicContact CB-CD1 4.22Å; W79-Y175 HydrophobicContact CB-CE1 3.89Å; W79-Y175 PolarHBondContact O-OH 3.19Å; W79-V176 HydrophobicContact CE3-CG2 3.53Å; W79-V176 HydrophobicContact CH2-CG2 4.2Å; W79-V176 HydrophobicContact CZ3-CB 4.48Å; W79-V176 HydrophobicContact CZ3-CG2 3.19Å; W79-F198 AromaticContact CH2-CE1 3.31Å; W79-F198 HydrophobicContact CH2-CE1 3.31Å; W79-F198 HydrophobicContact CH2-CE2 4.42Å; W79-F198 AromaticContact CH2-CZ 3.18Å; W79-F198 HydrophobicContact CH2-CZ 3.18Å; W79-F198 HydrophobicContact CZ2-CE1 4.42Å; W79-F198 AromaticContact CZ2-CZ 3.95Å; W79-F198 HydrophobicContact CZ2-CZ 3.95Å; W79-F198 AromaticContact CZ3-CE1 3.55Å; W79-F198 HydrophobicContact CZ3-CE1 3.55Å; W79-F198 AromaticContact CZ3-CZ 3.54Å; W79-F198 HydrophobicContact CZ3-CZ 3.54Å
80V96.6Very high94.4Very high0 Ų030.9 Ų30.90%017%0.172CC..EExtended strand (participates in β ladder)trans-114.2118.2-168.4-170.30000110.3M51 L58 L69 Y70 M72 K78 I87 F90M51-V80 HydrophobicContact CE-CG2 3.67Å; L58-V80 HydrophobicContact CD1-CB 4.27Å; L58-V80 HydrophobicContact CD1-CG1 4.24Å; L58-V80 HydrophobicContact CD2-CG1 3.77Å; L69-V80 WeakPolarHBondContact CA-O 3.36Å; Y70-V80 PolarHBondContact N-O 2.94Å; Y70-V80 PolarHBondContact O-N 3.08Å; M72-V80 HydrophobicContact SD-CG2 4.08Å; K78-V80 HydrophobicContact CB-CG2 4.09Å; V80-I87 HydrophobicContact CG1-CG2 3.55Å; V80-F90 HydrophobicContact CB-CB 4.27Å; V80-F90 HydrophobicContact CG1-CB 4.26Å; V80-F90 HydrophobicContact CG2-CB 3.98Å
81Q94Very high94.6Very high47 Ų4733.8 Ų33.822%0.2218%0.183CC..EExtended strand (participates in β ladder)trans-86.9129.6170.5-76.21780.300109.2S68 L69 N88 D89 Y175S68-Q81 WeakPolarHBondContact O-CA 3.44Å; L69-Q81 HydrophobicContact CD1-CG 4.08Å; Q81-N88 HydrophobicContact CB-CB 4.49Å; Q81-N88 PolarHBondContact O-N 3.46Å; Q81-D89 PolarHBondContact N-O 2.66Å; Q81-D89 PolarHBondContact O-N 3.21Å; Q81-Y175 HydrophobicContact CG-CE1 3.74Å; Q81-Y175 HydrophobicContact CG-CE2 4.31Å; Q81-Y175 WeakPolarHBondContact CG-OH 3.44Å; Q81-Y175 PolarHBondContact NE2-O 2.94Å
82A92Very high94.7Very high6 Ų635.7 Ų35.75%0.0520%0.195CC..EExtended strand (participates in β ladder)trans-149164.6179.100000110.4F20 S68 Y70 Q86F20-A82 HydrophobicContact CE2-CB 4.13Å; F20-A82 HydrophobicContact CZ-CB 3.82Å; S68-A82 CarbonylContact C-O 3.31Å; S68-A82 VanDerWaalsContact CA-O 3.26Å; S68-A82 WeakPolarHBondContact CA-O 3.28Å; S68-A82 PolarHBondContact O-N 2.88Å; S68-A82 VanDerWaalsContact O-O 3.13Å; Y70-A82 HydrophobicContact CD2-CB 4.27Å; Y70-A82 HydrophobicContact CE2-CB 3.99Å; A82-Q86 CarbonylContact C-O 3.58Å; A82-Q86 VanDerWaalsContact CA-O 3.26Å; A82-Q86 WeakPolarHBondContact CA-O 3.24Å; A82-Q86 WeakPolarHBondContact CB-O 3.41Å
83D86.5Confident94.7Very high60 Ų6037 Ų3732%0.32120%0.204SC..  trans-119.8-162.1168.260.850.5000110.2F20 Q85 Q86 N88F20-D83 WeakPolarHBondContact CE2-O 3.4Å; D83-Q85 PolarHBondContact O-N 2.89Å; D83-Q85 PolarHBondContact OD1-N 2.96Å; D83-Q86 PolarHBondContact N-O 3.31Å; D83-Q86 WeakPolarHBondContact OD1-CG 3.22Å; D83-Q86 PolarHBondContact OD1-N 3.31Å; D83-Q86 WeakPolarHBondContact OD2-CG 3.48Å; D83-N88 PolarHBondContact OD2-ND2 3.41Å
84S84Confident94.8Very high78 Ų7841.7 Ų41.755%0.54523%0.225SC..SBendtrans-65.9-21.9-177.466.50000113.7R62R62-S84 PolarHBondContact NE-O 2.82Å; R62-S84 VanDerWaalsContact NH2-CB 3.35Å; R62-S84 PolarHBondContact NH2-O 2.87Å
85Q86.6Confident95Very high105 Ų10541 Ų4149%0.49122%0.216SC..SBendtrans-121.7-30.8-172.9-61.8-155.210.800114.8R19 F20 D83R19-Q85 WeakPolarHBondContact CA-O 3.49Å; F20-Q85 WeakPolarHBondContact CD2-O 3.48Å; F20-Q85 PolarHBondContact N-O 3.36Å; D83-Q85 PolarHBondContact O-N 2.89Å; D83-Q85 PolarHBondContact OD1-N 2.96Å
86Q94.4Very high95.1Very high68 Ų6838 Ų3832%0.31820%0.203SC..EExtended strand (participates in β ladder)trans-136.4154.7-17158.9-179.450.200113.1A18 A82 D83 N88A18-Q86 CarbonylContact O-C 3.55Å; A18-Q86 VanDerWaalsContact O-CA 3.29Å; A18-Q86 WeakPolarHBondContact O-CA 3.46Å; A18-Q86 WeakPolarHBondContact O-CB 3.34Å; A82-Q86 CarbonylContact C-O 3.58Å; A82-Q86 VanDerWaalsContact CA-O 3.26Å; A82-Q86 WeakPolarHBondContact CA-O 3.24Å; A82-Q86 WeakPolarHBondContact CB-O 3.41Å; D83-Q86 PolarHBondContact N-O 3.31Å; D83-Q86 WeakPolarHBondContact OD1-CG 3.22Å; D83-Q86 PolarHBondContact OD1-N 3.31Å; D83-Q86 WeakPolarHBondContact OD2-CG 3.48Å; Q86-N88 WeakPolarHBondContact CG-OD1 3.32Å; Q86-N88 PolarHBondContact NE2-OD1 3.19Å
87I97.4Very high95.1Very high0 Ų038.1 Ų38.10%020%0.204CC..EExtended strand (participates in β ladder)trans-94.6122171.7-53.8164.4000105.6V16 P17 A18 F20 I23 L40 L58 V80V16-I87 HydrophobicContact CG1-CB 3.95Å; V16-I87 HydrophobicContact CG1-CG2 3.76Å; P17-I87 CarbonylContact C-O 3.6Å; P17-I87 WeakPolarHBondContact CA-O 3.44Å; A18-I87 PolarHBondContact N-O 2.87Å; A18-I87 PolarHBondContact O-N 2.84Å; F20-I87 HydrophobicContact CD1-CD1 3.98Å; F20-I87 HydrophobicContact CD1-CG1 3.98Å; F20-I87 HydrophobicContact CE1-CD1 3.83Å; F20-I87 HydrophobicContact CE1-CG1 3.56Å; F20-I87 HydrophobicContact CE2-CG1 4.13Å; F20-I87 HydrophobicContact CG-CG1 4.44Å; F20-I87 HydrophobicContact CZ-CD1 4.41Å; F20-I87 HydrophobicContact CZ-CG1 3.64Å; I23-I87 HydrophobicContact CD1-CD1 3.93Å; L40-I87 HydrophobicContact CD1-CD1 3.49Å; L40-I87 VanDerWaalsContact CD1-CD1 3.49Å; L40-I87 HydrophobicContact CD1-CG2 4.36Å; L58-I87 HydrophobicContact CD2-CD1 3.61Å; L58-I87 HydrophobicContact CD2-CG1 3.88Å; L58-I87 HydrophobicContact CD2-CG2 4.34Å; V80-I87 HydrophobicContact CG1-CG2 3.55Å
88N94.9Very high95.1Very high50 Ų5041.1 Ų41.127%0.26722%0.22SC..EExtended strand (participates in β ladder)trans-96.6-50.5-168-68.7-45.2000112.2Q81 D83 Q86Q81-N88 HydrophobicContact CB-CB 4.49Å; Q81-N88 PolarHBondContact O-N 3.46Å; D83-N88 PolarHBondContact OD2-ND2 3.41Å; Q86-N88 WeakPolarHBondContact CG-OD1 3.32Å; Q86-N88 PolarHBondContact NE2-OD1 3.19Å
89D96.1Very high95.1Very high22 Ų2242.5 Ų42.512%0.11823%0.226CC..EExtended strand (participates in β ladder)trans-154.2162.2-179.3-168.717.7000109.8V42 H44 N47 Q81 R91 Y175V42-D89 VanDerWaalsContact CG2-OD1 3.32Å; V42-D89 WeakPolarHBondContact CG2-OD1 3.46Å; H44-D89 IonicContact NE2-OD1 3.8Å; N47-D89 PolarHBondContact ND2-OD1 2.8Å; Q81-D89 PolarHBondContact N-O 2.66Å; Q81-D89 PolarHBondContact O-N 3.21Å; D89-R91 IonicContact OD2-NE 3.55Å; D89-Y175 VanDerWaalsContact C-OH 3.3Å; D89-Y175 PolarHBondContact O-OH 2.97Å
90F97.4Very high95.2Very high0 Ų046.9 Ų46.90%025%0.247CC..EExtended strand (participates in β ladder)trans-150.4152.9165.567.2-89.3000113.8V16 L40 V42 N47 N49 M51 W79 V80 Y175V16-F90 HydrophobicContact CG2-CD1 4.05Å; V16-F90 HydrophobicContact CG2-CE1 3.96Å; L40-F90 HydrophobicContact CB-CE1 3.96Å; L40-F90 HydrophobicContact CB-CZ 4.45Å; V42-F90 HydrophobicContact CG2-CD1 3.57Å; V42-F90 HydrophobicContact CG2-CE1 3.53Å; V42-F90 HydrophobicContact CG2-CG 4.16Å; V42-F90 HydrophobicContact CG2-CZ 4.07Å; N47-F90 PolarHBondContact ND2-O 3.33Å; N49-F90 HydrophobicContact CB-CD2 3.97Å; N49-F90 HydrophobicContact CB-CE2 3.53Å; N49-F90 HydrophobicContact CB-CZ 4.03Å; M51-F90 HydrophobicContact CB-CE2 4.28Å; M51-F90 HydrophobicContact CB-CZ 4.47Å; M51-F90 HydrophobicContact CE-CB 3.91Å; M51-F90 HydrophobicContact CE-CD1 3.68Å; M51-F90 HydrophobicContact CE-CD2 3.53Å; M51-F90 HydrophobicContact CE-CE1 3.99Å; M51-F90 HydrophobicContact CE-CE2 3.85Å; M51-F90 HydrophobicContact CE-CG 3.42Å; M51-F90 VanDerWaalsContact CE-CG 3.42Å; M51-F90 HydrophobicContact CE-CZ 4.08Å; M51-F90 HydrophobicContact CG-CE1 4.47Å; M51-F90 HydrophobicContact CG-CE2 4.31Å; M51-F90 HydrophobicContact CG-CZ 4.1Å; W79-F90 CarbonylContact O-C 3.57Å; W79-F90 WeakPolarHBondContact O-CA 3.37Å; W79-F90 WeakPolarHBondContact O-CB 2.82Å; V80-F90 HydrophobicContact CB-CB 4.27Å; V80-F90 HydrophobicContact CG1-CB 4.26Å; V80-F90 HydrophobicContact CG2-CB 3.98Å; F90-Y175 VanDerWaalsContact CA-OH 3.32Å; F90-Y175 WeakPolarHBondContact CA-OH 3.38Å; F90-Y175 PolarHBondContact N-OH 3.05Å
91R97.6Very high95.3Very high60 Ų6050.5 Ų50.523%0.22627%0.266CS..EExtended strand (participates in β ladder)trans-119.3155.5172.7-58.2-69177.9159.4-0.1110.1D46 N47 K78 W79 D89 M172 Y175D46-R91 PolarHBondContact O-NH1 2.72Å; D46-R91 IonicContact OD2-CZ 3.61Å; D46-R91 IonicContact OD2-NH2 2.87Å; D46-R91 PolarHBondContact OD2-NH2 3.06Å; N47-R91 VanDerWaalsContact CB-NH1 3.29Å; N47-R91 VanDerWaalsContact CG-NH1 3.26Å; N47-R91 WeakPolarHBondContact ND2-CD 3.35Å; N47-R91 PolarHBondContact ND2-NE 2.86Å; N47-R91 PolarHBondContact OD1-NH1 3.3Å; K78-R91 WeakPolarHBondContact CA-O 3.39Å; W79-R91 PolarHBondContact N-O 3.33Å; W79-R91 PolarHBondContact O-N 2.97Å; D89-R91 IonicContact OD2-NE 3.55Å; R91-M172 HydrophobicContact CB-CE 3.66Å; R91-M172 HydrophobicContact CB-SD 4.4Å; R91-M172 HydrophobicContact CG-CE 3.89Å; R91-Y175 HydrophobicContact CG-CD2 3.95Å; R91-Y175 HydrophobicContact CG-CE1 4.41Å; R91-Y175 HydrophobicContact CG-CE2 3.69Å; R91-Y175 HydrophobicContact CG-CG 4.42Å
92T98.2Very high95.5Very high40 Ų4049.2 Ų49.225%0.24526%0.26CS..EExtended strand (participates in β ladder)trans-120.9133.9176-61.10000110.1N49 H76 C77 K78N49-T92 VanDerWaalsContact OD1-CB 3.27Å; N49-T92 WeakPolarHBondContact OD1-CB 3.13Å; N49-T92 PolarHBondContact OD1-OG1 3.3Å; H76-T92 HydrophobicContact CB-CG2 3.86Å; C77-T92 CarbonylContact O-C 3.37Å; C77-T92 VanDerWaalsContact O-CA 3.27Å; C77-T92 WeakPolarHBondContact O-CA 3.45Å; K78-T92 HydrophobicContact CD-CG2 4.21Å; K78-T92 WeakPolarHBondContact CD-OG1 3.33Å; K78-T92 PolarHBondContact NZ-OG1 2.93Å
93V97.6Very high95.8Very high34 Ų3449.9 Ų49.921%0.20626%0.262CS..EExtended strand (participates in β ladder)trans-122.6126.9170.1-167.90000109.3H76 C77 T95 E168 M172H76-V93 CarbonylContact C-O 3.6Å; C77-V93 PolarHBondContact N-O 2.96Å; C77-V93 PolarHBondContact O-N 2.86Å; V93-T95 WeakPolarHBondContact CG1-OG1 3.44Å; V93-T95 PolarHBondContact O-N 3.48Å; V93-E168 HydrophobicContact CB-CG 3.95Å; V93-E168 HydrophobicContact CG1-CB 4.09Å; V93-E168 HydrophobicContact CG1-CG 3.86Å; V93-E168 HydrophobicContact CG2-CG 4.01Å; V93-M172 HydrophobicContact CG2-CG 4.36Å; V93-M172 HydrophobicContact CG2-SD 4.31Å
94M97.8Very high96.3Very high111 Ų11151.3 Ų51.355%0.54727%0.27SS..  trans-86.444.2-172.2-58.2-174.3-64.700112.9T75 E97 L98T75-M94 CarbonylContact O-C 3.54Å; M94-E97 HydrophobicContact CB-CB 4.45Å; M94-E97 PolarHBondContact O-N 2.83Å; M94-L98 VanDerWaalsContact O-CB 3.25Å; M94-L98 WeakPolarHBondContact O-CB 3.31Å; M94-L98 PolarHBondContact O-N 2.96Å
95T97.8Very high97Very high11 Ų1154 Ų547%0.06727%0.274CS..Hα-helixtrans-62.2-48-168.7-56.10000112.9V93 H99 L164 I165 E168V93-T95 WeakPolarHBondContact CG1-OG1 3.44Å; V93-T95 PolarHBondContact O-N 3.48Å; T95-H99 WeakPolarHBondContact O-CB 3.35Å; T95-H99 PolarHBondContact O-N 3.24Å; T95-L164 HydrophobicContact CG2-CB 3.86Å; T95-I165 HydrophobicContact CG2-CG1 3.95Å; T95-E168 WeakPolarHBondContact CB-OE2 3.46Å; T95-E168 WeakPolarHBondContact CG2-OE2 3.35Å; T95-E168 VanDerWaalsContact OG1-CD 3.29Å; T95-E168 PolarHBondContact OG1-OE2 3.39Å
96G96.5Very high97.5Very high28 Ų2850.9 Ų50.929%0.28926%0.263SS..Hα-helixtrans-68.4-39.4179.300000112.9G74 T75 H100G74-G96 PolarHBondContact O-N 3.39Å; T75-G96 PolarHBondContact O-N 3Å; G96-H100 PolarHBondContact O-N 3.48Å; G96-H100 VanDerWaalsContact O-N 3.14Å
97E98.2Very high97.7Very high72 Ų7252.8 Ų52.834%0.33628%0.275SS..Hα-helixtrans-65.1-46.3174.9-175.4170.1-162.500111.8T75 H76 M94 H99 H100 L101T75-E97 HydrophobicContact CG2-CB 3.83Å; T75-E97 PolarHBondContact O-N 3.21Å; H76-E97 IonicContact CD2-OE2 2.87Å; H76-E97 IonicContact CE1-OE2 3.2Å; H76-E97 IonicContact NE2-OE2 3.95Å; H76-E97 PolarHBondContact NE2-OE2 3.31Å; M94-E97 HydrophobicContact CB-CB 4.45Å; M94-E97 PolarHBondContact O-N 2.83Å; E97-H99 VanDerWaalsContact C-N 3.33Å; E97-H99 PolarHBondContact O-N 3.17Å; E97-H100 PolarHBondContact O-N 3.07Å; E97-L101 HydrophobicContact CG-CD1 3.93Å; E97-L101 HydrophobicContact CG-CG 4.3Å; E97-L101 WeakPolarHBondContact O-CG 3.49Å; E97-L101 PolarHBondContact O-N 2.89Å
98L98.2Very high97.6Very high63 Ų6353.4 Ų53.433%0.3328%0.279SS..Hα-helixtrans-64.2-39.8-179.8-174.158.5000111.3M94 H100 L101 L102 L164M94-L98 VanDerWaalsContact O-CB 3.25Å; M94-L98 WeakPolarHBondContact O-CB 3.31Å; M94-L98 PolarHBondContact O-N 2.96Å; L98-H100 PolarHBondContact O-N 3.3Å; L98-L101 PolarHBondContact O-N 3.01Å; L98-L102 HydrophobicContact CD1-CD1 3.87Å; L98-L102 HydrophobicContact CD1-CD2 4.25Å; L98-L102 HydrophobicContact CD1-CG 3.83Å; L98-L102 HydrophobicContact CD2-CD1 4.42Å; L98-L102 HydrophobicContact CG-CD1 3.7Å; L98-L102 HydrophobicContact CG-CG 4.14Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 3.16Å; L98-L164 HydrophobicContact CD2-CD2 3.78Å; L98-L164 HydrophobicContact CG-CD2 4.16Å
99H98.6Very high97.7Very high37 Ų3751.5 Ų51.517%0.17127%0.27CS..Hα-helixtrans-55-51.5171.5178.5-85.8000111.3T95 E97 L101 L102 L103 S157 L164T95-H99 WeakPolarHBondContact O-CB 3.35Å; T95-H99 PolarHBondContact O-N 3.24Å; E97-H99 VanDerWaalsContact C-N 3.33Å; E97-H99 PolarHBondContact O-N 3.17Å; H99-L101 PolarHBondContact O-N 3.34Å; H99-L102 PolarHBondContact O-N 3.05Å; H99-L103 VanDerWaalsContact O-CB 3.28Å; H99-L103 WeakPolarHBondContact O-CB 3.48Å; H99-L103 PolarHBondContact O-N 3.42Å; H99-S157 PolarHBondContact CE1-OG 3.44Å; H99-S157 PolarHBondContact NE2-O 2.79Å; H99-S157 PolarHBondContact NE2-OG 2.86Å; H99-L164 VanDerWaalsContact CA-CD1 3.48Å; H99-L164 HydrophobicContact CB-CD1 3.65Å
100H98.3Very high97.8Very high93 Ų9352.5 Ų52.543%0.43128%0.282SS..Hα-helixtrans-60.5-46.1-179.7178.871.6000112.3G96 E97 L98 N104 H105G96-H100 PolarHBondContact O-N 3.48Å; G96-H100 VanDerWaalsContact O-N 3.14Å; E97-H100 PolarHBondContact O-N 3.07Å; L98-H100 PolarHBondContact O-N 3.3Å; H100-N104 PolarHBondContact ND1-ND2 2.88Å; H100-N104 WeakPolarHBondContact O-CB 3.32Å; H100-N104 PolarHBondContact O-N 2.87Å; H100-N104 PolarHBondContact O-ND2 2.93Å; H100-H105 AromaticContact NE2-CD2 3.76Å; H100-H105 AromaticContact NE2-NE2 3.57Å
101L98.6Very high97.8Very high76 Ų7655.5 Ų55.540%0.39831%0.313SS..Hα-helixtrans-64.2-46.3179.6-71.3173.5000112E97 L98 H99 H105 S106E97-L101 HydrophobicContact CG-CD1 3.93Å; E97-L101 HydrophobicContact CG-CG 4.3Å; E97-L101 WeakPolarHBondContact O-CG 3.49Å; E97-L101 PolarHBondContact O-N 2.89Å; L98-L101 PolarHBondContact O-N 3.01Å; H99-L101 PolarHBondContact O-N 3.34Å; L101-H105 HydrophobicContact CD2-CB 4.42Å; L101-H105 CarbonylContact O-C 3.32Å; L101-H105 WeakPolarHBondContact O-CA 3.34Å; L101-H105 PolarHBondContact O-N 3.43Å; L101-S106 PolarHBondContact O-N 3.49Å
102L98.4Very high97.8Very high19 Ų1954.2 Ų54.210%0.09931%0.31CS..Hα-helixtrans-65.9-41-178.7-67.9172.4000111.4L98 H99 S106 I108 G109 L139 L160 L164L98-L102 HydrophobicContact CD1-CD1 3.87Å; L98-L102 HydrophobicContact CD1-CD2 4.25Å; L98-L102 HydrophobicContact CD1-CG 3.83Å; L98-L102 HydrophobicContact CD2-CD1 4.42Å; L98-L102 HydrophobicContact CG-CD1 3.7Å; L98-L102 HydrophobicContact CG-CG 4.14Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 3.16Å; H99-L102 PolarHBondContact O-N 3.05Å; L102-S106 WeakPolarHBondContact CA-OG 3.21Å; L102-S106 PolarHBondContact O-OG 2.89Å; L102-I108 HydrophobicContact CB-CD1 4.49Å; L102-I108 HydrophobicContact CD2-CD1 3.63Å; L102-G109 PolarHBondContact O-N 3.15Å; L102-L139 HydrophobicContact CD1-CD1 4.26Å; L102-L139 HydrophobicContact CD1-CD2 3.84Å; L102-L139 HydrophobicContact CD2-CD1 4.43Å; L102-L160 HydrophobicContact CB-CD2 3.86Å; L102-L160 HydrophobicContact CD1-CD1 4.06Å; L102-L164 HydrophobicContact CD1-CD1 4.37Å; L102-L164 HydrophobicContact CD1-CD2 4.35Å
103L98.4Very high97.8Very high20 Ų2054.6 Ų54.611%0.10531%0.314CS..Hα-helixtrans-74.2-42-179.2-171.867.8000112.7H99 G109 L112 V156 L160H99-L103 VanDerWaalsContact O-CB 3.28Å; H99-L103 WeakPolarHBondContact O-CB 3.48Å; H99-L103 PolarHBondContact O-N 3.42Å; L103-G109 VanDerWaalsContact O-CA 3.27Å; L103-G109 WeakPolarHBondContact O-CA 3.47Å; L103-L112 HydrophobicContact CD1-CD1 4.02Å; L103-V156 HydrophobicContact CD1-CG1 4.25Å; L103-L160 HydrophobicContact CB-CD2 4.27Å
104N97.8Very high97.8Very high91 Ų9158.6 Ų58.649%0.48734%0.34SS..Hα-helixtrans-106.6-22.8-167.9-57.4-73.4000114.2H100H100-N104 PolarHBondContact ND1-ND2 2.88Å; H100-N104 WeakPolarHBondContact O-CB 3.32Å; H100-N104 PolarHBondContact O-N 2.87Å; H100-N104 PolarHBondContact O-ND2 2.93Å
105H97.9Very high97.8Very high135 Ų13556.2 Ų56.263%0.62533%0.328SS*.SBendtrans-128.37.2-170.2-64.5-65.1000114H100 L101H100-H105 AromaticContact NE2-CD2 3.76Å; H100-H105 AromaticContact NE2-NE2 3.57Å; L101-H105 HydrophobicContact CD2-CB 4.42Å; L101-H105 CarbonylContact O-C 3.32Å; L101-H105 WeakPolarHBondContact O-CA 3.34Å; L101-H105 PolarHBondContact O-N 3.43Å
106S97.9Very high97.8Very high38 Ų3861.5 Ų61.527%0.26635%0.351SS..SBendtrans-121168.517795.80000112L101 L102 I108 A110L101-S106 PolarHBondContact O-N 3.49Å; L102-S106 WeakPolarHBondContact CA-OG 3.21Å; L102-S106 PolarHBondContact O-OG 2.89Å; S106-I108 PolarHBondContact O-N 3.41Å; S106-I108 WeakPolarHBondContact OG-CB 3.36Å; S106-I108 PolarHBondContact OG-N 3.03Å; S106-A110 PolarHBondContact O-N 3.23Å
107L97.2Very high97.4Very high108 Ų10867.3 Ų67.357%0.56538%0.376SS*.THydrogen-bonded Turntrans-60.9-24.4173.5-173.162.8000112A110 F140 R143L107-A110 HydrophobicContact CD1-CB 4.28Å; L107-A110 PolarHBondContact O-N 3.36Å; L107-F140 HydrophobicContact CD2-CE2 4.43Å; L107-R143 WeakPolarHBondContact O-CD 3.13Å; L107-R143 VanDerWaalsContact O-CZ 3.3Å; L107-R143 PolarHBondContact O-NH1 2.98Å
108I97Very high97.2Very high14 Ų1464.5 Ų64.57%0.07236%0.364CS..THydrogen-bonded Turntrans-59.4-51.8-177-71.6155.3000111.3L102 S106 L139 V142 R143 H146L102-I108 HydrophobicContact CB-CD1 4.49Å; L102-I108 HydrophobicContact CD2-CD1 3.63Å; S106-I108 PolarHBondContact O-N 3.41Å; S106-I108 WeakPolarHBondContact OG-CB 3.36Å; S106-I108 PolarHBondContact OG-N 3.03Å; I108-L139 HydrophobicContact CD1-CB 4.06Å; I108-L139 VanDerWaalsContact CD1-O 3.24Å; I108-L139 WeakPolarHBondContact CD1-O 3.44Å; I108-V142 HydrophobicContact CG2-CB 4.14Å; I108-V142 HydrophobicContact CG2-CG1 4.1Å; I108-R143 HydrophobicContact CG1-CB 4.37Å; I108-H146 PolarHBondContact O-NE2 3.12Å
109G97.2Very high96.7Very high9 Ų965.3 Ų65.39%0.09338%0.38CS..THydrogen-bonded Turntrans-91.44.1178.100000115.8L102 L103 G111 L112L102-G109 PolarHBondContact O-N 3.15Å; L103-G109 VanDerWaalsContact O-CA 3.27Å; L103-G109 WeakPolarHBondContact O-CA 3.47Å; G109-G111 PolarHBondContact O-N 3.06Å; G109-L112 VanDerWaalsContact O-CG 3.32Å; G109-L112 WeakPolarHBondContact O-CG 3.47Å; G109-L112 PolarHBondContact O-N 3.26Å
110A97.3Very high96.4Very high44 Ų4470.1 Ų70.136%0.36441%0.407SS..THydrogen-bonded Turntrans-62.9123-177.200000112.4S106 L107 R143S106-A110 PolarHBondContact O-N 3.23Å; L107-A110 HydrophobicContact CD1-CB 4.28Å; L107-A110 PolarHBondContact O-N 3.36Å; A110-R143 PolarHBondContact O-NH1 3.02Å
111G96.8Very high96.3Very high63 Ų6366 Ų6665%0.64939%0.389SS*.THydrogen-bonded Turntrans82.113.517600000114.7G109 R153G109-G111 PolarHBondContact O-N 3.06Å; G111-R153 PolarHBondContact O-NH2 3.45Å
112L98.1Very high96.3Very high32 Ų3262.7 Ų62.717%0.16837%0.371CS..  trans-72.6151.6175-66.4178.2000112.4L103 G109 R153 V156L103-L112 HydrophobicContact CD1-CD1 4.02Å; G109-L112 VanDerWaalsContact O-CG 3.32Å; G109-L112 WeakPolarHBondContact O-CG 3.47Å; G109-L112 PolarHBondContact O-N 3.26Å; L112-R153 HydrophobicContact CD2-CB 3.98Å; L112-R153 HydrophobicContact CD2-CG 4.25Å; L112-V156 HydrophobicContact CD1-CB 3.63Å; L112-V156 HydrophobicContact CD1-CG1 3.68Å; L112-V156 HydrophobicContact CD1-CG2 3.88Å; L112-V156 HydrophobicContact CD2-CG2 3.94Å
113P98Very high96Very high49 Ų4964 Ų6432%0.31839%0.385SS..  trans-71175.1169.834-36.2000111.2Q115 R153 E154P113-Q115 PolarHBondContact O-N 3.22Å; P113-Q115 PolarHBondContact O-NE2 3.08Å; P113-R153 HydrophobicContact CG-CB 4.04Å; P113-E154 HydrophobicContact CG-CB 4.21Å
114P98.3Very high95.9Very high117 Ų11765.1 Ų65.176%0.7640%0.397SS*.  trans-46.7139.7163.3-27.436.2000111.4
115Q98.4Very high95.9Very high62 Ų6260.8 Ų60.829%0.2937%0.374SS..  trans-91.4146.2-174.4-59.9-66.5-75.500110.9P113 R153 E154 V156P113-Q115 PolarHBondContact O-N 3.22Å; P113-Q115 PolarHBondContact O-NE2 3.08Å; Q115-R153 PolarHBondContact NE2-O 2.66Å; Q115-E154 CarbonylContact C-O 3.53Å; Q115-E154 VanDerWaalsContact CA-O 3.3Å; Q115-E154 WeakPolarHBondContact CA-O 3.44Å; Q115-E154 PolarHBondContact OE1-O 3.44Å; Q115-V156 VanDerWaalsContact OE1-N 3.16Å
116E95.9Very high95.8Very high121 Ų12154.8 Ų54.857%0.56535%0.347SS*.  trans-118.9151.4-178-65-178.2-175.500110.8E154E116-E154 HydrophobicContact CB-CB 4.49Å; E116-E154 HydrophobicContact CG-CB 4.2Å; E116-E154 PolarHBondContact N-O 3.09Å
117N89.7Confident95.7Very high151 Ų15159.2 Ų59.281%0.80736%0.363SS*.  trans-70.1134.5174.1-66.2-20.3000109.8E158N117-E158 PolarHBondContact OD1-OE1 2.83Å
118S94.3Very high95.6Very high13 Ų1359.4 Ų59.49%0.09136%0.356CS..  trans-150.7104.6178.8175.70000109.3D120 A121 F122 Q155S118-D120 VanDerWaalsContact C-N 3.27Å; S118-D120 PolarHBondContact O-N 3.39Å; S118-A121 PolarHBondContact O-N 2.91Å; S118-A121 VanDerWaalsContact OG-CB 3.3Å; S118-A121 WeakPolarHBondContact OG-CB 3.12Å; S118-A121 PolarHBondContact OG-N 3.22Å; S118-F122 PolarHBondContact O-N 3.46Å; S118-Q155 PolarHBondContact OG-OE1 3.22Å
119A86.5Confident95.6Very high79 Ų7958.7 Ų58.765%0.65335%0.353SS*.Hα-helixtrans-62.4-37.5177.500000111.4F122 A123A119-F122 PolarHBondContact O-N 2.87Å; A119-A123 WeakPolarHBondContact O-CB 3.32Å; A119-A123 PolarHBondContact O-N 3.06Å
120D92.6Very high95.4Very high139 Ų13959.3 Ų59.374%0.74335%0.354SS*.Hα-helixtrans-66.7-42.3179.1-64.7-16.3000111.6S118 A123 A124S118-D120 VanDerWaalsContact C-N 3.27Å; S118-D120 PolarHBondContact O-N 3.39Å; D120-A123 PolarHBondContact O-N 2.9Å; D120-A124 WeakPolarHBondContact O-CB 3.35Å; D120-A124 PolarHBondContact O-N 3.44Å
121A96.8Very high95.1Very high6 Ų663 Ų635%0.0537%0.367CS..Hα-helixtrans-65.1-41.7175.800000111.3S118 A124 G125 Q155 E158 F159S118-A121 PolarHBondContact O-N 2.91Å; S118-A121 VanDerWaalsContact OG-CB 3.3Å; S118-A121 WeakPolarHBondContact OG-CB 3.12Å; S118-A121 PolarHBondContact OG-N 3.22Å; A121-A124 PolarHBondContact O-N 3.38Å; A121-G125 PolarHBondContact O-N 2.83Å; A121-Q155 HydrophobicContact CB-CB 3.88Å; A121-E158 HydrophobicContact CB-CB 4.02Å; A121-F159 HydrophobicContact CB-CB 4.37Å; A121-F159 WeakPolarHBondContact O-CA 3.47Å; A121-F159 WeakPolarHBondContact O-CD2 3.36Å
122F96.9Very high94.7Very high6 Ų660.6 Ų60.63%0.02634%0.341CS..Hα-helixtrans-59.6-49.5174177.5-101.7000111.7S118 A119 A124 G125 L126 E158 G162 I165 R193 Q196S118-F122 PolarHBondContact O-N 3.46Å; A119-F122 PolarHBondContact O-N 2.87Å; F122-A124 PolarHBondContact O-N 3.43Å; F122-G125 PolarHBondContact O-N 3.34Å; F122-L126 HydrophobicContact CE1-CB 4.49Å; F122-L126 HydrophobicContact CE1-CD2 4.09Å; F122-L126 VanDerWaalsContact O-CB 3.31Å; F122-L126 WeakPolarHBondContact O-CB 3.16Å; F122-L126 PolarHBondContact O-N 3.39Å; F122-E158 WeakPolarHBondContact CA-O 3.29Å; F122-E158 HydrophobicContact CB-CB 4.46Å; F122-G162 VanDerWaalsContact CD2-CA 3.5Å; F122-G162 VanDerWaalsContact CE2-CA 3.4Å; F122-I165 HydrophobicContact CE2-CD1 4.14Å; F122-I165 HydrophobicContact CZ-CD1 4.42Å; F122-R193 HydrophobicContact CE1-CB 4.32Å; F122-R193 HydrophobicContact CE1-CG 4.24Å; F122-R193 HydrophobicContact CE2-CB 4.13Å; F122-R193 HydrophobicContact CE2-CG 3.93Å; F122-R193 VanDerWaalsContact CE2-NH1 3.35Å; F122-R193 HydrophobicContact CZ-CB 3.62Å; F122-R193 HydrophobicContact CZ-CG 3.73Å; F122-Q196 HydrophobicContact CE1-CB 4.37Å
123A93.2Very high93.4Very high47 Ų4763.7 Ų63.739%0.38836%0.363SS..Hα-helixtrans-60.8-43.4-179.800000112A119 D120 L126 E127A119-A123 WeakPolarHBondContact O-CB 3.32Å; A119-A123 PolarHBondContact O-N 3.06Å; D120-A123 PolarHBondContact O-N 2.9Å; A123-L126 WeakPolarHBondContact O-CB 3.42Å; A123-L126 PolarHBondContact O-N 3.4Å; A123-E127 PolarHBondContact O-N 2.84Å
124A95.6Very high92.9Very high44 Ų4464.9 Ų64.936%0.36438%0.377SS..Hα-helixtrans-64.3-40.517600000112.3D120 A121 F122 R128 F159D120-A124 WeakPolarHBondContact O-CB 3.35Å; D120-A124 PolarHBondContact O-N 3.44Å; A121-A124 PolarHBondContact O-N 3.38Å; F122-A124 PolarHBondContact O-N 3.43Å; A124-R128 PolarHBondContact O-N 3.25Å; A124-R128 VanDerWaalsContact O-N 3.13Å; A124-F159 HydrophobicContact CB-CD2 4.22Å; A124-F159 HydrophobicContact CB-CE2 4.04Å
125G97.7Very high92.8Very high0 Ų060.9 Ų60.90%035%0.349CS..Hα-helixtrans-62.1-45.4172.700000111.5A121 F122 R128 G129 F159 G162 L163A121-G125 PolarHBondContact O-N 2.83Å; F122-G125 PolarHBondContact O-N 3.34Å; G125-R128 PolarHBondContact O-N 2.94Å; G125-G129 PolarHBondContact O-N 2.87Å; G125-F159 WeakPolarHBondContact CA-O 3.48Å; G125-G162 CarbonylContact O-C 3.48Å; G125-L163 VanDerWaalsContact C-N 3.28Å; G125-L163 WeakPolarHBondContact O-CA 3.37Å; G125-L163 PolarHBondContact O-N 2.78Å
126L96.2Very high92.7Very high9 Ų964.6 Ų64.65%0.04737%0.37CS..Hα-helixtrans-60.8-48.9-179.5-179.566.7000111.7F122 A123 R128 G129 L130 G162 I165 Q196 A197F122-L126 HydrophobicContact CE1-CB 4.49Å; F122-L126 HydrophobicContact CE1-CD2 4.09Å; F122-L126 VanDerWaalsContact O-CB 3.31Å; F122-L126 WeakPolarHBondContact O-CB 3.16Å; F122-L126 PolarHBondContact O-N 3.39Å; A123-L126 WeakPolarHBondContact O-CB 3.42Å; A123-L126 PolarHBondContact O-N 3.4Å; L126-R128 VanDerWaalsContact C-N 3.28Å; L126-R128 PolarHBondContact O-N 3.3Å; L126-G129 PolarHBondContact O-N 3.26Å; L126-L130 HydrophobicContact CD1-CD1 4.21Å; L126-L130 HydrophobicContact CD1-CG 4.32Å; L126-L130 HydrophobicContact CG-CD1 3.97Å; L126-L130 HydrophobicContact CG-CG 4.49Å; L126-L130 WeakPolarHBondContact O-CB 3.3Å; L126-L130 VanDerWaalsContact O-CG 3.29Å; L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 3.39Å; L126-G162 WeakPolarHBondContact CA-O 3.48Å; L126-G162 VanDerWaalsContact N-C 3.34Å; L126-I165 HydrophobicContact CD1-CG2 4.39Å; L126-Q196 HydrophobicContact CD2-CB 3.95Å; L126-A197 HydrophobicContact CD1-CB 3.54Å; L126-A197 HydrophobicContact CD2-CB 4.43Å
127E95.2Very high92.7Very high131 Ų13162.8 Ų62.861%0.61237%0.369SS*.Hα-helixtrans-56.1-44.4174.2-177.1-176.3-171.200111A123 N131A123-E127 PolarHBondContact O-N 2.84Å; E127-N131 PolarHBondContact O-N 2.96Å; E127-N131 PolarHBondContact O-ND2 2.93Å
128R96.2Very high93Very high111 Ų11157 Ų5742%0.41934%0.337SS..Hα-helixtrans-64.2-43.7178.2-175.662.273.898.90.7112A124 G125 L126 N131 A132 Q138 E141 F159 L163A124-R128 PolarHBondContact O-N 3.25Å; A124-R128 VanDerWaalsContact O-N 3.13Å; G125-R128 PolarHBondContact O-N 2.94Å; L126-R128 VanDerWaalsContact C-N 3.28Å; L126-R128 PolarHBondContact O-N 3.3Å; R128-N131 PolarHBondContact O-N 3.39Å; R128-A132 VanDerWaalsContact O-CB 3.25Å; R128-A132 WeakPolarHBondContact O-CB 3.47Å; R128-A132 PolarHBondContact O-N 3.08Å; R128-Q138 VanDerWaalsContact CD-OE1 3.27Å; R128-E141 IonicContact NH1-OE2 2.8Å; R128-E141 PolarHBondContact NH1-OE2 2.96Å; R128-F159 HydrophobicContact CB-CZ 4.47Å; R128-L163 HydrophobicContact CB-CD1 4.08Å; R128-L163 HydrophobicContact CG-CD1 3.77Å
129G96.6Very high93.1Very high0 Ų057.3 Ų57.30%034%0.338CS..Hα-helixtrans-62.5-45.9179.700000112.4G125 L126 N131 A132 L163 G166 A167G125-G129 PolarHBondContact O-N 2.87Å; L126-G129 PolarHBondContact O-N 3.26Å; G129-N131 PolarHBondContact O-N 3Å; G129-A132 PolarHBondContact O-N 2.83Å; G129-L163 WeakPolarHBondContact CA-O 3.14Å; G129-G166 VanDerWaalsContact C-C 3.42Å; G129-A167 WeakPolarHBondContact O-CA 3.35Å; G129-A167 PolarHBondContact O-N 3.46Å
130L92.6Very high93.6Very high22 Ų2259.4 Ų59.412%0.11533%0.332CS..Hα-helixtrans-60.6-31.6178.6-73.1170.6000112.8L126 G166 V169 A170 A200 M201L126-L130 HydrophobicContact CD1-CD1 4.21Å; L126-L130 HydrophobicContact CD1-CG 4.32Å; L126-L130 HydrophobicContact CG-CD1 3.97Å; L126-L130 HydrophobicContact CG-CG 4.49Å; L126-L130 WeakPolarHBondContact O-CB 3.3Å; L126-L130 VanDerWaalsContact O-CG 3.29Å; L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 3.39Å; L130-G166 WeakPolarHBondContact CD2-O 3.33Å; L130-V169 HydrophobicContact CD2-CB 4.46Å; L130-A170 HydrophobicContact CD2-CB 4.49Å; L130-A200 HydrophobicContact CD1-CB 3.4Å; L130-M201 HydrophobicContact CD2-CG 3.46Å; L130-M201 VanDerWaalsContact CD2-CG 3.46Å; L130-M201 HydrophobicContact CD2-SD 3.95Å
131N92.2Very high93.9Very high121 Ų12156.4 Ų56.465%0.64731%0.314SS*.THydrogen-bonded Turntrans-91.10.8179.1-69.7-53.4000113.8E127 R128 G129E127-N131 PolarHBondContact O-N 2.96Å; E127-N131 PolarHBondContact O-ND2 2.93Å; R128-N131 PolarHBondContact O-N 3.39Å; G129-N131 PolarHBondContact O-N 3Å
132A87.9Confident93.9Very high13 Ų1356.1 Ų56.111%0.10731%0.312CS..  trans-130.971.6-174.900000112.5R128 G129 A134 I135 Q138R128-A132 VanDerWaalsContact O-CB 3.25Å; R128-A132 WeakPolarHBondContact O-CB 3.47Å; R128-A132 PolarHBondContact O-N 3.08Å; G129-A132 PolarHBondContact O-N 2.83Å; A132-A134 CarbonylContact O-C 3.54Å; A132-A134 PolarHBondContact O-N 3.09Å; A132-A134 VanDerWaalsContact O-N 3.13Å; A132-I135 PolarHBondContact O-N 2.71Å; A132-Q138 HydrophobicContact CB-CG 3.75Å
133P71.7Confident94Very high96 Ų9658.4 Ų58.462%0.62332%0.32SS*.SBendtrans-59.1-28178.522.5-32.3000112.9I135P133-I135 PolarHBondContact O-N 3.01Å
134A87.2Confident94.2Very high74 Ų7457.8 Ų57.861%0.61232%0.315SS*.SBendtrans-91.184.916700000110.3A132 L136 P137A132-A134 CarbonylContact O-C 3.54Å; A132-A134 PolarHBondContact O-N 3.09Å; A132-A134 VanDerWaalsContact O-N 3.13Å; A134-L136 PolarHBondContact O-N 2.92Å; A134-P137 VanDerWaalsContact O-CD 3.28Å; A134-P137 WeakPolarHBondContact O-CD 3.43Å
135I94.8Very high94.3Very high33 Ų3357.1 Ų57.117%0.16931%0.307CS..  trans-72.9-23.4-170.9-170.9158.9000115.1A132 P133 P137 Q138 L139 L163 L164 A167A132-I135 PolarHBondContact O-N 2.71Å; P133-I135 PolarHBondContact O-N 3.01Å; I135-P137 VanDerWaalsContact C-CD 3.49Å; I135-Q138 HydrophobicContact CG1-CB 4.42Å; I135-Q138 WeakPolarHBondContact O-CA 3.4Å; I135-Q138 VanDerWaalsContact O-CB 3.31Å; I135-Q138 WeakPolarHBondContact O-CB 3.5Å; I135-Q138 PolarHBondContact O-N 2.83Å; I135-L139 HydrophobicContact CD1-CD2 4.1Å; I135-L139 HydrophobicContact CG1-CD2 3.79Å; I135-L139 HydrophobicContact CG1-CG 4.35Å; I135-L139 PolarHBondContact O-N 2.96Å; I135-L163 HydrophobicContact CD1-CD1 4.37Å; I135-L163 HydrophobicContact CD1-CD2 4.44Å; I135-L163 HydrophobicContact CD1-CG 3.85Å; I135-L163 HydrophobicContact CG1-CG 4.41Å; I135-L164 HydrophobicContact CD1-CD2 3.77Å; I135-A167 HydrophobicContact CB-CB 3.94Å; I135-A167 HydrophobicContact CD1-CB 3.32Å; I135-A167 HydrophobicContact CG1-CB 4.09Å
136L97Very high94.3Very high140 Ų14057.5 Ų57.573%0.73331%0.309SS*.Hα-helixtrans-51.7-44.7-170.6-67.2175.9000114.9A134 Q138 L139A134-L136 PolarHBondContact O-N 2.92Å; L136-Q138 VanDerWaalsContact C-N 3.29Å; L136-Q138 PolarHBondContact O-N 3.35Å; L136-L139 HydrophobicContact CD2-CD1 4.23Å; L136-L139 PolarHBondContact O-N 3.16Å
137P95Very high94.4Very high84 Ų8461.7 Ų61.755%0.54534%0.335SS..Hα-helixtrans-64.5-33.5177-20.734.8000112.9A134 I135 L139A134-P137 VanDerWaalsContact O-CD 3.28Å; A134-P137 WeakPolarHBondContact O-CD 3.43Å; I135-P137 VanDerWaalsContact C-CD 3.49Å; P137-L139 VanDerWaalsContact C-N 3.26Å; P137-L139 PolarHBondContact O-N 2.96Å
138Q95.9Very high94.5Very high29 Ų2962 Ų6214%0.13634%0.34CS..Hα-helixtrans-68.9-25.4-177.2-57.8-58-6300112.4R128 A132 I135 L136 F140 E141 V142 L163R128-Q138 VanDerWaalsContact CD-OE1 3.27Å; A132-Q138 HydrophobicContact CB-CG 3.75Å; I135-Q138 HydrophobicContact CG1-CB 4.42Å; I135-Q138 WeakPolarHBondContact O-CA 3.4Å; I135-Q138 VanDerWaalsContact O-CB 3.31Å; I135-Q138 WeakPolarHBondContact O-CB 3.5Å; I135-Q138 PolarHBondContact O-N 2.83Å; L136-Q138 VanDerWaalsContact C-N 3.29Å; L136-Q138 PolarHBondContact O-N 3.35Å; Q138-F140 PolarHBondContact O-N 3.34Å; Q138-E141 PolarHBondContact NE2-OE1 2.83Å; Q138-E141 WeakPolarHBondContact O-CB 3.28Å; Q138-E141 PolarHBondContact O-N 3Å; Q138-E141 PolarHBondContact OE1-OE2 3.48Å; Q138-V142 PolarHBondContact O-N 3.19Å; Q138-L163 HydrophobicContact CB-CD1 4.03Å; Q138-L163 HydrophobicContact CB-CD2 4.14Å
139L97.5Very high94.5Very high19 Ų1959.8 Ų59.810%0.09935%0.352CS..Hα-helixtrans-61.5-43.2-177.1-59.5-176.4000112.3L102 I108 I135 L136 P137 V142 L163 L164L102-L139 HydrophobicContact CD1-CD1 4.26Å; L102-L139 HydrophobicContact CD1-CD2 3.84Å; L102-L139 HydrophobicContact CD2-CD1 4.43Å; I108-L139 HydrophobicContact CD1-CB 4.06Å; I108-L139 VanDerWaalsContact CD1-O 3.24Å; I108-L139 WeakPolarHBondContact CD1-O 3.44Å; I135-L139 HydrophobicContact CD1-CD2 4.1Å; I135-L139 HydrophobicContact CG1-CD2 3.79Å; I135-L139 HydrophobicContact CG1-CG 4.35Å; I135-L139 PolarHBondContact O-N 2.96Å; L136-L139 HydrophobicContact CD2-CD1 4.23Å; L136-L139 PolarHBondContact O-N 3.16Å; P137-L139 VanDerWaalsContact C-N 3.26Å; P137-L139 PolarHBondContact O-N 2.96Å; L139-V142 WeakPolarHBondContact O-CB 3.42Å; L139-L163 HydrophobicContact CD2-CD2 4.41Å; L139-L164 HydrophobicContact CD2-CD2 4.11Å
140F97.6Very high94.5Very high123 Ų12364.9 Ų64.954%0.53938%0.383SS..Hα-helixtrans-76.5-27.2178.4-168.7-99.5000112.4L107 Q138 V142 R143 A144L107-F140 HydrophobicContact CD2-CE2 4.43Å; Q138-F140 PolarHBondContact O-N 3.34Å; F140-V142 PolarHBondContact O-N 2.89Å; F140-R143 WeakPolarHBondContact O-CB 3.39Å; F140-R143 PolarHBondContact O-N 3.15Å; F140-A144 PolarHBondContact O-N 3.3Å
141E97.7Very high94.8Very high76 Ų7664.4 Ų64.436%0.35538%0.381SS..Hα-helixtrans-58.8-32.8174.3-70.4-176.6-144.100111.6R128 Q138 R143 A144 S145R128-E141 IonicContact NH1-OE2 2.8Å; R128-E141 PolarHBondContact NH1-OE2 2.96Å; Q138-E141 PolarHBondContact NE2-OE1 2.83Å; Q138-E141 WeakPolarHBondContact O-CB 3.28Å; Q138-E141 PolarHBondContact O-N 3Å; Q138-E141 PolarHBondContact OE1-OE2 3.48Å; E141-R143 VanDerWaalsContact C-N 3.28Å; E141-R143 PolarHBondContact O-N 3.43Å; E141-A144 PolarHBondContact O-N 2.88Å; E141-A144 VanDerWaalsContact O-N 3.13Å; E141-S145 WeakPolarHBondContact O-CB 2.95Å; E141-S145 PolarHBondContact O-N 3.41Å; E141-S145 PolarHBondContact O-OG 2.89Å
142V98Very high95.1Very high1 Ų161.2 Ų61.21%0.00637%0.367CS..Hα-helixtrans-55.3-44.2173.6-177.50000111.6I108 Q138 L139 F140 H146 L151 V156 F159 L160 L163I108-V142 HydrophobicContact CG2-CB 4.14Å; I108-V142 HydrophobicContact CG2-CG1 4.1Å; Q138-V142 PolarHBondContact O-N 3.19Å; L139-V142 WeakPolarHBondContact O-CB 3.42Å; F140-V142 PolarHBondContact O-N 2.89Å; V142-H146 PolarHBondContact O-CD2 2.86Å; V142-H146 PolarHBondContact O-N 3.21Å; V142-L151 HydrophobicContact CG1-CD2 4.21Å; V142-V156 HydrophobicContact CG1-CG1 3.67Å; V142-F159 HydrophobicContact CG1-CD1 4.35Å; V142-F159 HydrophobicContact CG2-CD1 4.05Å; V142-F159 HydrophobicContact CG2-CE1 4.01Å; V142-L160 HydrophobicContact CG2-CD1 4.22Å; V142-L163 HydrophobicContact CG2-CD2 3.6Å
143R98.1Very high95.6Very high54 Ų5465.5 Ų65.520%0.20438%0.38CS..Hα-helixtrans-66.4-48.8175.4-174.4176.4176.271.7-1.5111.2L107 I108 A110 F140 E141 S145 H146 V147L107-R143 WeakPolarHBondContact O-CD 3.13Å; L107-R143 VanDerWaalsContact O-CZ 3.3Å; L107-R143 PolarHBondContact O-NH1 2.98Å; I108-R143 HydrophobicContact CG1-CB 4.37Å; A110-R143 PolarHBondContact O-NH1 3.02Å; F140-R143 WeakPolarHBondContact O-CB 3.39Å; F140-R143 PolarHBondContact O-N 3.15Å; E141-R143 VanDerWaalsContact C-N 3.28Å; E141-R143 PolarHBondContact O-N 3.43Å; R143-S145 PolarHBondContact O-N 2.77Å; R143-H146 PolarHBondContact O-CD2 2.73Å; R143-H146 PolarHBondContact O-N 2.81Å; R143-H146 PolarHBondContact O-NE2 2.83Å; R143-V147 HydrophobicContact CG-CG2 4.27Å; R143-V147 WeakPolarHBondContact O-CG2 3.28Å; R143-V147 PolarHBondContact O-N 2.89Å
144A97.9Very high96.9Very high34 Ų3464.3 Ų64.328%0.28137%0.366SS..Hα-helixtrans-56.2-42.6-17900000111.1F140 E141 H146 V147 L148F140-A144 PolarHBondContact O-N 3.3Å; E141-A144 PolarHBondContact O-N 2.88Å; E141-A144 VanDerWaalsContact O-N 3.13Å; A144-H146 PolarHBondContact O-N 2.81Å; A144-V147 PolarHBondContact O-N 3.22Å; A144-L148 WeakPolarHBondContact O-CB 3.34Å; A144-L148 VanDerWaalsContact O-CG 3.29Å; A144-L148 WeakPolarHBondContact O-CG 3.45Å; A144-L148 PolarHBondContact O-N 3.32Å
145S97.9Very high97.4Very high29 Ų2963.1 Ų63.120%0.20335%0.348CS..Hα-helixtrans-59.8-44.4178.9-65.60000113E141 R143 G149 T150 L151E141-S145 WeakPolarHBondContact O-CB 2.95Å; E141-S145 PolarHBondContact O-N 3.41Å; E141-S145 PolarHBondContact O-OG 2.89Å; R143-S145 PolarHBondContact O-N 2.77Å; S145-G149 PolarHBondContact O-N 3.07Å; S145-T150 VanDerWaalsContact CA-OG1 3.3Å; S145-T150 WeakPolarHBondContact CA-OG1 3.43Å; S145-T150 WeakPolarHBondContact CB-OG1 3.11Å; S145-T150 PolarHBondContact O-N 3.35Å; S145-T150 PolarHBondContact O-OG1 3.05Å; S145-L151 PolarHBondContact O-N 3.49Å
146H97.3Very high97.6Very high9 Ų961.5 Ų61.54%0.04234%0.34CS..Hα-helixtrans-79.2-19.7179.481.664.3000113.5I108 V142 R143 A144 L151 R153 V156I108-H146 PolarHBondContact O-NE2 3.12Å; V142-H146 PolarHBondContact O-CD2 2.86Å; V142-H146 PolarHBondContact O-N 3.21Å; R143-H146 PolarHBondContact O-CD2 2.73Å; R143-H146 PolarHBondContact O-N 2.81Å; R143-H146 PolarHBondContact O-NE2 2.83Å; A144-H146 PolarHBondContact O-N 2.81Å; H146-L151 VanDerWaalsContact CA-O 3.22Å; H146-L151 WeakPolarHBondContact CA-O 3.06Å; H146-L151 HydrophobicContact CB-CB 4.37Å; H146-L151 VanDerWaalsContact CB-O 3.3Å; H146-L151 WeakPolarHBondContact CB-O 3.38Å; H146-R153 HydrophobicContact CB-CG 4.1Å; H146-V156 HydrophobicContact CB-CG2 3.94Å
147V97.5Very high97.7Very high97 Ų9756 Ų5659%0.58831%0.313SS*.Hα-helixtrans-76.2-39172.31700000110.6R143 A144 G149R143-V147 HydrophobicContact CG-CG2 4.27Å; R143-V147 WeakPolarHBondContact O-CG2 3.28Å; R143-V147 PolarHBondContact O-N 2.89Å; A144-V147 PolarHBondContact O-N 3.22Å; V147-G149 VanDerWaalsContact C-N 3.29Å
148L98Very high97.8Very high137 Ų13752.7 Ų52.772%0.71729%0.29SS*.THydrogen-bonded Turntrans-84.4-2.4178.6-63.4174.6000113.3A144A144-L148 WeakPolarHBondContact O-CB 3.34Å; A144-L148 VanDerWaalsContact O-CG 3.29Å; A144-L148 WeakPolarHBondContact O-CG 3.45Å; A144-L148 PolarHBondContact O-N 3.32Å
149G96.3Very high97.9Very high65 Ų6552.7 Ų52.767%0.6729%0.29SS*.THydrogen-bonded Turntrans80.413.3175.400000115.2S145 V147S145-G149 PolarHBondContact O-N 3.07Å; V147-G149 VanDerWaalsContact C-N 3.29Å
150T96.8Very high98Very high107 Ų10751.8 Ų51.866%0.65629%0.285SS*.SBendtrans-89.1-9.8176.666.90000113.4S145S145-T150 VanDerWaalsContact CA-OG1 3.3Å; S145-T150 WeakPolarHBondContact CA-OG1 3.43Å; S145-T150 WeakPolarHBondContact CB-OG1 3.11Å; S145-T150 PolarHBondContact O-N 3.35Å; S145-T150 PolarHBondContact O-OG1 3.05Å
151L98.1Very high98Very high12 Ų1246.8 Ų46.86%0.06327%0.265CS..SBendtrans-132.4120.3173175.562.8000108.6V142 S145 H146 R153 Q155 V156 F159V142-L151 HydrophobicContact CG1-CD2 4.21Å; S145-L151 PolarHBondContact O-N 3.49Å; H146-L151 VanDerWaalsContact CA-O 3.22Å; H146-L151 WeakPolarHBondContact CA-O 3.06Å; H146-L151 HydrophobicContact CB-CB 4.37Å; H146-L151 VanDerWaalsContact CB-O 3.3Å; H146-L151 WeakPolarHBondContact CB-O 3.38Å; L151-R153 PolarHBondContact O-N 3.48Å; L151-Q155 HydrophobicContact CD1-CB 4.5Å; L151-V156 HydrophobicContact CD2-CG2 3.97Å; L151-V156 HydrophobicContact CG-CG2 4.26Å; L151-F159 HydrophobicContact CD1-CB 3.9Å; L151-F159 HydrophobicContact CD1-CD2 4.16Å; L151-F159 HydrophobicContact CD1-CG 4.14Å; L151-F159 HydrophobicContact CD2-CB 3.99Å; L151-F159 HydrophobicContact CD2-CD1 4.16Å; L151-F159 HydrophobicContact CD2-CG 3.98Å
152P98.5Very high98Very high54 Ų5443.2 Ų43.235%0.35125%0.248SC..  trans-56.8138.8174.9-26.235.6000111.8E154 Q155P152-E154 VanDerWaalsContact C-N 3.27Å; P152-E154 HydrophobicContact CB-CG 4.43Å; P152-E154 PolarHBondContact O-N 3.34Å; P152-Q155 HydrophobicContact CB-CB 4.31Å; P152-Q155 HydrophobicContact CB-CG 4.03Å; P152-Q155 PolarHBondContact O-N 3.14Å
153R98.5Very high98Very high103 Ų10343.2 Ų43.239%0.38925%0.248SC..G310 helixtrans-68.1-29.5-170.7-71.9163.750.577.4-0112.4G111 L112 P113 Q115 H146 L151 Q155G111-R153 PolarHBondContact O-NH2 3.45Å; L112-R153 HydrophobicContact CD2-CB 3.98Å; L112-R153 HydrophobicContact CD2-CG 4.25Å; P113-R153 HydrophobicContact CG-CB 4.04Å; Q115-R153 PolarHBondContact NE2-O 2.66Å; H146-R153 HydrophobicContact CB-CG 4.1Å; L151-R153 PolarHBondContact O-N 3.48Å; R153-Q155 VanDerWaalsContact C-N 3.3Å
154E98.5Very high98Very high70 Ų7041 Ų4133%0.32724%0.241SC..G310 helixtrans-74.8-13.8174.953-81.5-174.100113.2P113 Q115 E116 P152P113-E154 HydrophobicContact CG-CB 4.21Å; Q115-E154 CarbonylContact C-O 3.53Å; Q115-E154 VanDerWaalsContact CA-O 3.3Å; Q115-E154 WeakPolarHBondContact CA-O 3.44Å; Q115-E154 PolarHBondContact OE1-O 3.44Å; E116-E154 HydrophobicContact CB-CB 4.49Å; E116-E154 HydrophobicContact CG-CB 4.2Å; E116-E154 PolarHBondContact N-O 3.09Å; P152-E154 VanDerWaalsContact C-N 3.27Å; P152-E154 HydrophobicContact CB-CG 4.43Å; P152-E154 PolarHBondContact O-N 3.34Å
155Q98.6Very high98Very high49 Ų4939.6 Ų39.623%0.22923%0.228CC..G310 helixtrans-107.54.9-176.8-59.5-177.312.800114S118 A121 L151 P152 R153 S157 E158 F159S118-Q155 PolarHBondContact OG-OE1 3.22Å; A121-Q155 HydrophobicContact CB-CB 3.88Å; L151-Q155 HydrophobicContact CD1-CB 4.5Å; P152-Q155 HydrophobicContact CB-CB 4.31Å; P152-Q155 HydrophobicContact CB-CG 4.03Å; P152-Q155 PolarHBondContact O-N 3.14Å; R153-Q155 VanDerWaalsContact C-N 3.3Å; Q155-S157 VanDerWaalsContact C-N 3.3Å; Q155-S157 PolarHBondContact O-N 3.04Å; Q155-E158 PolarHBondContact O-N 2.9Å; Q155-F159 PolarHBondContact O-N 2.85Å
156V98.7Very high97.8Very high0 Ų038.2 Ų38.20%022%0.219CC..Hα-helixtrans-61.4-38.5-175.2173.60000112L103 L112 Q115 V142 H146 L151 E158 F159 L160L103-V156 HydrophobicContact CD1-CG1 4.25Å; L112-V156 HydrophobicContact CD1-CB 3.63Å; L112-V156 HydrophobicContact CD1-CG1 3.68Å; L112-V156 HydrophobicContact CD1-CG2 3.88Å; L112-V156 HydrophobicContact CD2-CG2 3.94Å; Q115-V156 VanDerWaalsContact OE1-N 3.16Å; V142-V156 HydrophobicContact CG1-CG1 3.67Å; H146-V156 HydrophobicContact CB-CG2 3.94Å; L151-V156 HydrophobicContact CD2-CG2 3.97Å; L151-V156 HydrophobicContact CG-CG2 4.26Å; V156-E158 VanDerWaalsContact C-N 3.32Å; V156-E158 PolarHBondContact O-N 3.22Å; V156-F159 PolarHBondContact O-N 3.04Å; V156-L160 WeakPolarHBondContact O-CB 3.24Å; V156-L160 PolarHBondContact O-N 3.34Å
157S98.6Very high97.8Very high25 Ų2538.1 Ų38.118%0.17522%0.22CC..Hα-helixtrans-59.1-42.1177.6179.30000112.6H99 Q155 S161H99-S157 PolarHBondContact CE1-OG 3.44Å; H99-S157 PolarHBondContact NE2-O 2.79Å; H99-S157 PolarHBondContact NE2-OG 2.86Å; Q155-S157 VanDerWaalsContact C-N 3.3Å; Q155-S157 PolarHBondContact O-N 3.04Å; S157-S161 WeakPolarHBondContact O-CB 3.39Å; S157-S161 PolarHBondContact O-N 2.92Å
158E98.1Very high97.7Very high13 Ų1333.8 Ų33.86%0.06119%0.193CC..Hα-helixtrans-70.3-46.8-179-72.4-72.9178.600111.5N117 A121 F122 Q155 V156 L160 S161 G162 R193N117-E158 PolarHBondContact OD1-OE1 2.83Å; A121-E158 HydrophobicContact CB-CB 4.02Å; F122-E158 WeakPolarHBondContact CA-O 3.29Å; F122-E158 HydrophobicContact CB-CB 4.46Å; Q155-E158 PolarHBondContact O-N 2.9Å; V156-E158 VanDerWaalsContact C-N 3.32Å; V156-E158 PolarHBondContact O-N 3.22Å; E158-L160 PolarHBondContact O-N 2.92Å; E158-S161 WeakPolarHBondContact O-CB 2.95Å; E158-S161 PolarHBondContact O-N 3.17Å; E158-G162 PolarHBondContact O-N 3.12Å; E158-R193 IonicContact OE1-CZ 3.83Å; E158-R193 IonicContact OE1-NH2 2.93Å; E158-R193 PolarHBondContact OE1-NH2 3.36Å; E158-R193 IonicContact OE2-CZ 3.97Å; E158-R193 IonicContact OE2-NH1 2.66Å; E158-R193 PolarHBondContact OE2-NH1 3.26Å; E158-R193 IonicContact OE2-NH2 3.98Å; E158-R193 PolarHBondContact OE2-NH2 3.35Å
159F98.6Very high97.4Very high30 Ų3027.2 Ų27.213%0.13216%0.159CC..Hα-helixtrans-59.3-46.6174.8-173.6-84.7000111.9A121 A124 G125 R128 V142 L151 Q155 V156 S161 G162 L163A121-F159 HydrophobicContact CB-CB 4.37Å; A121-F159 WeakPolarHBondContact O-CA 3.47Å; A121-F159 WeakPolarHBondContact O-CD2 3.36Å; A124-F159 HydrophobicContact CB-CD2 4.22Å; A124-F159 HydrophobicContact CB-CE2 4.04Å; G125-F159 WeakPolarHBondContact CA-O 3.48Å; R128-F159 HydrophobicContact CB-CZ 4.47Å; V142-F159 HydrophobicContact CG1-CD1 4.35Å; V142-F159 HydrophobicContact CG2-CD1 4.05Å; V142-F159 HydrophobicContact CG2-CE1 4.01Å; L151-F159 HydrophobicContact CD1-CB 3.9Å; L151-F159 HydrophobicContact CD1-CD2 4.16Å; L151-F159 HydrophobicContact CD1-CG 4.14Å; L151-F159 HydrophobicContact CD2-CB 3.99Å; L151-F159 HydrophobicContact CD2-CD1 4.16Å; L151-F159 HydrophobicContact CD2-CG 3.98Å; Q155-F159 PolarHBondContact O-N 2.85Å; V156-F159 PolarHBondContact O-N 3.04Å; F159-S161 VanDerWaalsContact C-N 3.3Å; F159-S161 PolarHBondContact O-N 3.47Å; F159-G162 PolarHBondContact O-N 3.18Å; F159-L163 WeakPolarHBondContact O-CB 3.32Å; F159-L163 PolarHBondContact O-N 3.01Å
160L98.3Very high97.2Very high0 Ų024.9 Ų24.90%013%0.133CC..Hα-helixtrans-63.7-36.6178.6-177.363.2000111.8L102 L103 V142 V156 E158 L163 L164L102-L160 HydrophobicContact CB-CD2 3.86Å; L102-L160 HydrophobicContact CD1-CD1 4.06Å; L103-L160 HydrophobicContact CB-CD2 4.27Å; V142-L160 HydrophobicContact CG2-CD1 4.22Å; V156-L160 WeakPolarHBondContact O-CB 3.24Å; V156-L160 PolarHBondContact O-N 3.34Å; E158-L160 PolarHBondContact O-N 2.92Å; L160-L163 HydrophobicContact CD1-CD2 4.41Å; L160-L163 PolarHBondContact O-N 3.14Å; L160-L164 HydrophobicContact CD1-CD1 4.04Å; L160-L164 HydrophobicContact CD1-CG 4.18Å; L160-L164 HydrophobicContact CG-CD1 3.95Å; L160-L164 HydrophobicContact CG-CG 4.48Å; L160-L164 WeakPolarHBondContact O-CB 3.48Å; L160-L164 VanDerWaalsContact O-CG 3.28Å; L160-L164 WeakPolarHBondContact O-CG 3.45Å; L160-L164 PolarHBondContact O-N 3.43Å
161S98.1Very high97Very high18 Ų1823 Ų2313%0.12612%0.124CC..Hα-helixtrans-62.7-47.8174.4178.10000111.4S157 E158 F159 L164 I165 R193S157-S161 WeakPolarHBondContact O-CB 3.39Å; S157-S161 PolarHBondContact O-N 2.92Å; E158-S161 WeakPolarHBondContact O-CB 2.95Å; E158-S161 PolarHBondContact O-N 3.17Å; F159-S161 VanDerWaalsContact C-N 3.3Å; F159-S161 PolarHBondContact O-N 3.47Å; S161-L164 PolarHBondContact O-N 3.08Å; S161-I165 WeakPolarHBondContact O-CB 3.41Å; S161-I165 WeakPolarHBondContact O-CG1 3.38Å; S161-I165 PolarHBondContact O-N 3.34Å; S161-R193 PolarHBondContact OG-NH1 3.08Å
162G97.4Very high96.7Very high0 Ų023.2 Ų23.20%013%0.125CC..Hα-helixtrans-58.8-48.1175.300000111.7F122 G125 L126 E158 F159 L164 I165 G166F122-G162 VanDerWaalsContact CD2-CA 3.5Å; F122-G162 VanDerWaalsContact CE2-CA 3.4Å; G125-G162 CarbonylContact O-C 3.48Å; L126-G162 WeakPolarHBondContact CA-O 3.48Å; L126-G162 VanDerWaalsContact N-C 3.34Å; E158-G162 PolarHBondContact O-N 3.12Å; F159-G162 PolarHBondContact O-N 3.18Å; G162-L164 PolarHBondContact O-N 3.18Å; G162-I165 PolarHBondContact O-N 3.25Å; G162-G166 PolarHBondContact O-N 2.92Å
163L98.1Very high96Very high1 Ų126.3 Ų26.31%0.00513%0.13CC..Hα-helixtrans-56-48.718018067.3000112.2G125 R128 G129 I135 Q138 L139 V142 F159 L160 A167G125-L163 VanDerWaalsContact C-N 3.28Å; G125-L163 WeakPolarHBondContact O-CA 3.37Å; G125-L163 PolarHBondContact O-N 2.78Å; R128-L163 HydrophobicContact CB-CD1 4.08Å; R128-L163 HydrophobicContact CG-CD1 3.77Å; G129-L163 WeakPolarHBondContact CA-O 3.14Å; I135-L163 HydrophobicContact CD1-CD1 4.37Å; I135-L163 HydrophobicContact CD1-CD2 4.44Å; I135-L163 HydrophobicContact CD1-CG 3.85Å; I135-L163 HydrophobicContact CG1-CG 4.41Å; Q138-L163 HydrophobicContact CB-CD1 4.03Å; Q138-L163 HydrophobicContact CB-CD2 4.14Å; L139-L163 HydrophobicContact CD2-CD2 4.41Å; V142-L163 HydrophobicContact CG2-CD2 3.6Å; F159-L163 WeakPolarHBondContact O-CB 3.32Å; F159-L163 PolarHBondContact O-N 3.01Å; L160-L163 HydrophobicContact CD1-CD2 4.41Å; L160-L163 PolarHBondContact O-N 3.14Å; L163-A167 WeakPolarHBondContact O-CB 3.32Å; L163-A167 PolarHBondContact O-N 2.83Å
164L98.1Very high95.2Very high8 Ų828.8 Ų28.84%0.04215%0.151CC..Hα-helixtrans-71.3-42.8-177.4-67.4169.4000112.2T95 L98 H99 L102 I135 L139 L160 S161 G162 A167 E168T95-L164 HydrophobicContact CG2-CB 3.86Å; L98-L164 HydrophobicContact CD2-CD2 3.78Å; L98-L164 HydrophobicContact CG-CD2 4.16Å; H99-L164 VanDerWaalsContact CA-CD1 3.48Å; H99-L164 HydrophobicContact CB-CD1 3.65Å; L102-L164 HydrophobicContact CD1-CD1 4.37Å; L102-L164 HydrophobicContact CD1-CD2 4.35Å; I135-L164 HydrophobicContact CD1-CD2 3.77Å; L139-L164 HydrophobicContact CD2-CD2 4.11Å; L160-L164 HydrophobicContact CD1-CD1 4.04Å; L160-L164 HydrophobicContact CD1-CG 4.18Å; L160-L164 HydrophobicContact CG-CD1 3.95Å; L160-L164 HydrophobicContact CG-CG 4.48Å; L160-L164 WeakPolarHBondContact O-CB 3.48Å; L160-L164 VanDerWaalsContact O-CG 3.28Å; L160-L164 WeakPolarHBondContact O-CG 3.45Å; L160-L164 PolarHBondContact O-N 3.43Å; S161-L164 PolarHBondContact O-N 3.08Å; G162-L164 PolarHBondContact O-N 3.18Å; L164-A167 PolarHBondContact O-N 3.3Å; L164-E168 WeakPolarHBondContact O-CB 3.32Å; L164-E168 PolarHBondContact O-N 2.86Å
165I97.1Very high94.5Very high4 Ų426.9 Ų26.92%0.02114%0.141CC..Hα-helixtrans-65.5-43.5177.2-68.7174.2000110.5T95 F122 L126 S161 G162 A167 E168 V169 R193 Y194 A197T95-I165 HydrophobicContact CG2-CG1 3.95Å; F122-I165 HydrophobicContact CE2-CD1 4.14Å; F122-I165 HydrophobicContact CZ-CD1 4.42Å; L126-I165 HydrophobicContact CD1-CG2 4.39Å; S161-I165 WeakPolarHBondContact O-CB 3.41Å; S161-I165 WeakPolarHBondContact O-CG1 3.38Å; S161-I165 PolarHBondContact O-N 3.34Å; G162-I165 PolarHBondContact O-N 3.25Å; I165-A167 PolarHBondContact O-N 3.42Å; I165-E168 WeakPolarHBondContact O-CB 3.39Å; I165-E168 PolarHBondContact O-N 3.16Å; I165-V169 HydrophobicContact CG2-CG2 4.47Å; I165-V169 WeakPolarHBondContact O-CG2 3.48Å; I165-V169 PolarHBondContact O-N 3.48Å; I165-R193 HydrophobicContact CD1-CB 3.95Å; I165-Y194 HydrophobicContact CD1-CD2 4.07Å; I165-Y194 HydrophobicContact CD1-CE2 3.72Å; I165-Y194 HydrophobicContact CG1-CE2 3.87Å; I165-Y194 HydrophobicContact CG2-CD1 4.47Å; I165-Y194 HydrophobicContact CG2-CD2 4.19Å; I165-Y194 HydrophobicContact CG2-CE2 4.18Å; I165-Y194 HydrophobicContact CG2-CG 4.34Å; I165-A197 HydrophobicContact CG2-CB 3.68Å
166G95.4Very high93.3Very high0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-61-46.3177.400000112G129 L130 G162 E168 V169 A170G129-G166 VanDerWaalsContact C-C 3.42Å; L130-G166 WeakPolarHBondContact CD2-O 3.33Å; G162-G166 PolarHBondContact O-N 2.92Å; G166-E168 PolarHBondContact O-N 3.3Å; G166-V169 PolarHBondContact O-N 2.85Å; G166-A170 VanDerWaalsContact O-CB 3.31Å; G166-A170 WeakPolarHBondContact O-CB 3.19Å; G166-A170 PolarHBondContact O-N 2.98Å
167A95.9Very high91.4Very high8 Ų828 Ų287%0.06615%0.151CC..Hα-helixtrans-67-36.4177.800000112.7G129 I135 L163 L164 I165 S171G129-A167 WeakPolarHBondContact O-CA 3.35Å; G129-A167 PolarHBondContact O-N 3.46Å; I135-A167 HydrophobicContact CB-CB 3.94Å; I135-A167 HydrophobicContact CD1-CB 3.32Å; I135-A167 HydrophobicContact CG1-CB 4.09Å; L163-A167 WeakPolarHBondContact O-CB 3.32Å; L163-A167 PolarHBondContact O-N 2.83Å; L164-A167 PolarHBondContact O-N 3.3Å; I165-A167 PolarHBondContact O-N 3.42Å; A167-S171 VanDerWaalsContact O-CB 3.23Å; A167-S171 WeakPolarHBondContact O-CB 3.36Å; A167-S171 PolarHBondContact O-N 3.34Å; A167-S171 PolarHBondContact O-OG 3.45Å
168E95.8Very high89.3Confident5 Ų534.5 Ų34.52%0.02318%0.178CC..Hα-helixtrans-57.2-57.1171.7169.3178.5-179.500110.8C77 W79 V93 T95 L164 I165 G166 A170 S171 M172 Y194C77-E168 WeakPolarHBondContact CB-OE1 3.21Å; C77-E168 PolarHBondContact SG-OE1 2.9Å; W79-E168 HydrophobicContact CZ2-CG 4.03Å; W79-E168 PolarHBondContact NE1-OE1 3.33Å; V93-E168 HydrophobicContact CB-CG 3.95Å; V93-E168 HydrophobicContact CG1-CB 4.09Å; V93-E168 HydrophobicContact CG1-CG 3.86Å; V93-E168 HydrophobicContact CG2-CG 4.01Å; T95-E168 WeakPolarHBondContact CB-OE2 3.46Å; T95-E168 WeakPolarHBondContact CG2-OE2 3.35Å; T95-E168 VanDerWaalsContact OG1-CD 3.29Å; T95-E168 PolarHBondContact OG1-OE2 3.39Å; L164-E168 WeakPolarHBondContact O-CB 3.32Å; L164-E168 PolarHBondContact O-N 2.86Å; I165-E168 WeakPolarHBondContact O-CB 3.39Å; I165-E168 PolarHBondContact O-N 3.16Å; G166-E168 PolarHBondContact O-N 3.3Å; E168-A170 VanDerWaalsContact C-N 3.3Å; E168-A170 PolarHBondContact O-N 3.13Å; E168-S171 PolarHBondContact O-N 2.9Å; E168-S171 VanDerWaalsContact O-N 3.12Å; E168-S171 PolarHBondContact O-OG 3.48Å; E168-M172 WeakPolarHBondContact O-CG 3.45Å; E168-M172 PolarHBondContact O-N 2.87Å; E168-Y194 PolarHBondContact OE2-OH 2.86Å
169V92.5Very high87.1Confident0 Ų042.5 Ų42.50%022%0.216CC..Hα-helixtrans-61.3-40.6-177177.60000110.9W79 L130 I165 G166 M172 R173 A197 F198 M201W79-V169 HydrophobicContact CH2-CB 4.47Å; W79-V169 HydrophobicContact CH2-CG1 4.42Å; W79-V169 HydrophobicContact CH2-CG2 4.14Å; W79-V169 HydrophobicContact CZ2-CG2 4.11Å; L130-V169 HydrophobicContact CD2-CB 4.46Å; I165-V169 HydrophobicContact CG2-CG2 4.47Å; I165-V169 WeakPolarHBondContact O-CG2 3.48Å; I165-V169 PolarHBondContact O-N 3.48Å; G166-V169 PolarHBondContact O-N 2.85Å; V169-M172 PolarHBondContact O-N 3.19Å; V169-R173 PolarHBondContact O-N 3.49Å; V169-A197 HydrophobicContact CB-CB 4.41Å; V169-A197 HydrophobicContact CG2-CB 3.81Å; V169-F198 HydrophobicContact CG1-CD1 3.83Å; V169-F198 HydrophobicContact CG1-CE1 3.9Å; V169-F198 HydrophobicContact CG1-CG 4.49Å; V169-F198 HydrophobicContact CG2-CE1 4.41Å; V169-F198 HydrophobicContact CG2-CZ 4.31Å; V169-M201 HydrophobicContact CG1-CE 3.71Å; V169-M201 HydrophobicContact CG1-CG 3.67Å; V169-M201 HydrophobicContact CG1-SD 3.71Å; V169-M201 WeakPolarHBondContact O-CE 2.93Å
170A91.5Very high85.3Confident15 Ų1543.4 Ų43.412%0.12422%0.22CC..Hα-helixtrans-64.1-41.417500000112.9L130 G166 E168 M172 R173 M201L130-A170 HydrophobicContact CD2-CB 4.49Å; G166-A170 VanDerWaalsContact O-CB 3.31Å; G166-A170 WeakPolarHBondContact O-CB 3.19Å; G166-A170 PolarHBondContact O-N 2.98Å; E168-A170 VanDerWaalsContact C-N 3.3Å; E168-A170 PolarHBondContact O-N 3.13Å; A170-M172 PolarHBondContact O-N 2.96Å; A170-R173 WeakPolarHBondContact O-CB 3.38Å; A170-R173 PolarHBondContact O-N 3.19Å; A170-M201 HydrophobicContact CB-SD 4.45Å
171S92.2Very high83.9Confident67 Ų6745.9 Ų45.947%0.46924%0.24SC..Hα-helixtrans-66.6-25.9178.173.70000113.1A167 E168A167-S171 VanDerWaalsContact O-CB 3.23Å; A167-S171 WeakPolarHBondContact O-CB 3.36Å; A167-S171 PolarHBondContact O-N 3.34Å; A167-S171 PolarHBondContact O-OG 3.45Å; E168-S171 PolarHBondContact O-N 2.9Å; E168-S171 VanDerWaalsContact O-N 3.12Å; E168-S171 PolarHBondContact O-OG 3.48Å
172M91.4Very high83.3Confident17 Ų1745 Ų458%0.08424%0.235CC..THydrogen-bonded Turntrans-91.11.4179.9-67.1-56.1-6700112.9W79 R91 V93 E168 V169 A170 D174 Y175 V176W79-M172 HydrophobicContact CB-CE 3.75Å; W79-M172 HydrophobicContact CD2-CB 4.13Å; W79-M172 HydrophobicContact CD2-CE 4.02Å; W79-M172 HydrophobicContact CD2-CG 3.96Å; W79-M172 HydrophobicContact CE3-CB 4.08Å; W79-M172 HydrophobicContact CE3-CE 4.4Å; W79-M172 HydrophobicContact CE3-CG 4.42Å; W79-M172 HydrophobicContact CG-CE 3.75Å; W79-M172 HydrophobicContact CG-CG 4.34Å; W79-M172 HydrophobicContact CH2-CB 3.87Å; W79-M172 HydrophobicContact CH2-CG 4.41Å; W79-M172 HydrophobicContact CZ2-CB 3.97Å; W79-M172 HydrophobicContact CZ2-CG 3.99Å; W79-M172 HydrophobicContact CZ3-CB 4Å; R91-M172 HydrophobicContact CB-CE 3.66Å; R91-M172 HydrophobicContact CB-SD 4.4Å; R91-M172 HydrophobicContact CG-CE 3.89Å; V93-M172 HydrophobicContact CG2-CG 4.36Å; V93-M172 HydrophobicContact CG2-SD 4.31Å; E168-M172 WeakPolarHBondContact O-CG 3.45Å; E168-M172 PolarHBondContact O-N 2.87Å; V169-M172 PolarHBondContact O-N 3.19Å; A170-M172 PolarHBondContact O-N 2.96Å; M172-D174 VanDerWaalsContact C-N 3.29Å; M172-D174 PolarHBondContact O-N 2.65Å; M172-Y175 HydrophobicContact CE-CD1 3.28Å; M172-Y175 HydrophobicContact CE-CD2 4.3Å; M172-Y175 HydrophobicContact CE-CE1 4Å; M172-Y175 HydrophobicContact CE-CG 3.46Å; M172-Y175 VanDerWaalsContact CE-CG 3.46Å; M172-Y175 CarbonylContact O-C 3.58Å; M172-Y175 WeakPolarHBondContact O-CA 3.2Å; M172-Y175 WeakPolarHBondContact O-CB 3.47Å; M172-Y175 PolarHBondContact O-N 2.86Å; M172-V176 HydrophobicContact CB-CG2 4.16Å; M172-V176 WeakPolarHBondContact O-CB 3.27Å; M172-V176 WeakPolarHBondContact O-CG2 3.36Å; M172-V176 PolarHBondContact O-N 2.79Å
173R84.2Confident82.8Confident120 Ų12045.6 Ų45.645%0.45324%0.238SC..THydrogen-bonded Turntrans-55.8-40-176-171.7178.6-77.4-177.3-5113.2V169 A170 Y175 V176 M201V169-R173 PolarHBondContact O-N 3.49Å; A170-R173 WeakPolarHBondContact O-CB 3.38Å; A170-R173 PolarHBondContact O-N 3.19Å; R173-Y175 VanDerWaalsContact C-N 3.31Å; R173-Y175 PolarHBondContact O-N 2.85Å; R173-V176 CarbonylContact O-C 3.57Å; R173-V176 VanDerWaalsContact O-C 3.23Å; R173-V176 PolarHBondContact O-N 3.07Å; R173-V176 VanDerWaalsContact O-N 3.16Å; R173-M201 HydrophobicContact CB-CE 3.89Å; R173-M201 HydrophobicContact CG-CE 3.88Å; R173-M201 PolarHBondContact NE-SD 3.26Å; R173-M201 VanDerWaalsContact NE-SD 3.45Å; R173-M201 PolarHBondContact NH2-SD 2.91Å
174D81.7Confident82.4Confident155 Ų15546.9 Ų46.983%0.82925%0.245SC*.THydrogen-bonded Turntrans-74-25.3178.8-65.5-20.9000112.7M172 V176M172-D174 VanDerWaalsContact C-N 3.29Å; M172-D174 PolarHBondContact O-N 2.65Å; D174-V176 VanDerWaalsContact C-N 3.28Å
175Y85.1Confident82.1Confident30 Ų3047.8 Ų47.812%0.11825%0.251CS..THydrogen-bonded Turntrans-77.1-19.9171.7-169.9-100.2000112.1L69 W79 Q81 D89 F90 R91 M172 R173L69-Y175 HydrophobicContact CD1-CD1 4.34Å; L69-Y175 HydrophobicContact CD1-CE1 3.97Å; W79-Y175 HydrophobicContact CB-CD1 4.22Å; W79-Y175 HydrophobicContact CB-CE1 3.89Å; W79-Y175 PolarHBondContact O-OH 3.19Å; Q81-Y175 HydrophobicContact CG-CE1 3.74Å; Q81-Y175 HydrophobicContact CG-CE2 4.31Å; Q81-Y175 WeakPolarHBondContact CG-OH 3.44Å; Q81-Y175 PolarHBondContact NE2-O 2.94Å; D89-Y175 VanDerWaalsContact C-OH 3.3Å; D89-Y175 PolarHBondContact O-OH 2.97Å; F90-Y175 VanDerWaalsContact CA-OH 3.32Å; F90-Y175 WeakPolarHBondContact CA-OH 3.38Å; F90-Y175 PolarHBondContact N-OH 3.05Å; R91-Y175 HydrophobicContact CG-CD2 3.95Å; R91-Y175 HydrophobicContact CG-CE1 4.41Å; R91-Y175 HydrophobicContact CG-CE2 3.69Å; R91-Y175 HydrophobicContact CG-CG 4.42Å; M172-Y175 HydrophobicContact CE-CD1 3.28Å; M172-Y175 HydrophobicContact CE-CD2 4.3Å; M172-Y175 HydrophobicContact CE-CE1 4Å; M172-Y175 HydrophobicContact CE-CG 3.46Å; M172-Y175 VanDerWaalsContact CE-CG 3.46Å; M172-Y175 CarbonylContact O-C 3.58Å; M172-Y175 WeakPolarHBondContact O-CA 3.2Å; M172-Y175 WeakPolarHBondContact O-CB 3.47Å; M172-Y175 PolarHBondContact O-N 2.86Å; R173-Y175 VanDerWaalsContact C-N 3.31Å; R173-Y175 PolarHBondContact O-N 2.85Å
176V71.6Confident81.5Confident6 Ų649.3 Ų49.34%0.03626%0.264CS..SBendtrans-115.378.9-174.5-174.70000108.3L69 W79 M172 R173 D174 I182L69-V176 HydrophobicContact CD2-CB 4.21Å; L69-V176 HydrophobicContact CD2-CG1 3.72Å; L69-V176 HydrophobicContact CD2-CG2 3.71Å; W79-V176 HydrophobicContact CE3-CG2 3.53Å; W79-V176 HydrophobicContact CH2-CG2 4.2Å; W79-V176 HydrophobicContact CZ3-CB 4.48Å; W79-V176 HydrophobicContact CZ3-CG2 3.19Å; M172-V176 HydrophobicContact CB-CG2 4.16Å; M172-V176 WeakPolarHBondContact O-CB 3.27Å; M172-V176 WeakPolarHBondContact O-CG2 3.36Å; M172-V176 PolarHBondContact O-N 2.79Å; R173-V176 CarbonylContact O-C 3.57Å; R173-V176 VanDerWaalsContact O-C 3.23Å; R173-V176 PolarHBondContact O-N 3.07Å; R173-V176 VanDerWaalsContact O-N 3.16Å; D174-V176 VanDerWaalsContact C-N 3.28Å; V176-I182 HydrophobicContact CG1-CD1 3.86Å
177T60.4Low80.5Confident66 Ų6651.8 Ų51.841%0.40529%0.289SS..  trans-61.9147.8172.475.90000111.2Q179 H180T177-Q179 PolarHBondContact O-N 2.8Å; T177-H180 PolarHBondContact N-CD2 3.08Å; T177-H180 VanDerWaalsContact N-CD2 3.3Å; T177-H180 PolarHBondContact O-CD2 2.91Å; T177-H180 PolarHBondContact O-N 3.48Å; T177-H180 PolarHBondContact OG1-CD2 2.79Å; T177-H180 PolarHBondContact OG1-NE2 2.81Å
178H52.8Low79.4Confident161 Ų16157.7 Ų57.775%0.74532%0.324SS*.THydrogen-bonded Turntrans-56.2-8.8178.5-69.7-74.9000115
179Q52.9Low78.6Confident182 Ų18261.2 Ų61.285%0.8535%0.35SS*.THydrogen-bonded Turntrans-87.6-10.2177.9-65.8-175.1-6.300113.4T177 A181T177-Q179 PolarHBondContact O-N 2.8Å; Q179-A181 PolarHBondContact O-N 2.91Å
180H61Low78.1Confident48 Ų4864.3 Ų64.322%0.22237%0.366CS..  trans-82.5117.2-178.5-62.6-54000111.1S68 L69 T177S68-H180 WeakPolarHBondContact CB-ND1 3.32Å; S68-H180 VanDerWaalsContact OG-CA 3.28Å; S68-H180 WeakPolarHBondContact OG-CA 3.34Å; S68-H180 WeakPolarHBondContact OG-CB 3.26Å; S68-H180 PolarHBondContact OG-ND1 2.97Å; L69-H180 HydrophobicContact CB-CB 3.97Å; T177-H180 PolarHBondContact N-CD2 3.08Å; T177-H180 VanDerWaalsContact N-CD2 3.3Å; T177-H180 PolarHBondContact O-CD2 2.91Å; T177-H180 PolarHBondContact O-N 3.48Å; T177-H180 PolarHBondContact OG1-CD2 2.79Å; T177-H180 PolarHBondContact OG1-NE2 2.81Å
181A68.1Low77.7Confident52 Ų5265 Ų6543%0.4337%0.369SS..  trans-56.9138.4151.700000107.6S67 L69 Q179S67-A181 PolarHBondContact OG-O 2.91Å; L69-A181 PolarHBondContact N-O 2.87Å; Q179-A181 PolarHBondContact O-N 2.91Å
182I86.3Confident77.1Confident1 Ų163.8 Ų63.81%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-114126.5179.9-50.2-171.7000108.2L69 V71 V176 F198 C203L69-I182 HydrophobicContact CD2-CD1 4.21Å; L69-I182 HydrophobicContact CD2-CG1 4.09Å; L69-I182 HydrophobicContact CD2-CG2 4.44Å; V71-I182 HydrophobicContact CB-CG2 4.33Å; V71-I182 HydrophobicContact CG2-CG2 3.77Å; V176-I182 HydrophobicContact CG1-CD1 3.86Å; I182-F198 HydrophobicContact CD1-CD1 3.57Å; I182-F198 HydrophobicContact CD1-CE1 3.49Å; I182-F198 VanDerWaalsContact CD1-CE1 3.49Å; I182-F198 HydrophobicContact CD1-CG 4.28Å; I182-F198 HydrophobicContact CD1-CZ 4.19Å; I182-F198 HydrophobicContact CG2-CE2 4.43Å; I182-F198 HydrophobicContact CG2-CZ 4.27Å; I182-C203 HydrophobicContact CD1-CB 4.14Å
183T87.1Confident77Confident12 Ų1265.1 Ų65.17%0.07437%0.367CS..EExtended strand (participates in β ladder)trans-105.7121.2167.8-74.50000109.4A61 A65 S67 L69 Y70 V71 V185A61-T183 HydrophobicContact CB-CG2 4.48Å; A65-T183 HydrophobicContact CB-CG2 3.75Å; A65-T183 PolarHBondContact O-OG1 3.21Å; S67-T183 VanDerWaalsContact CB-OG1 3.27Å; S67-T183 WeakPolarHBondContact CB-OG1 3.41Å; S67-T183 PolarHBondContact OG-N 2.94Å; L69-T183 PolarHBondContact O-N 2.77Å; Y70-T183 WeakPolarHBondContact CA-O 3.37Å; Y70-T183 HydrophobicContact CD1-CG2 3.82Å; Y70-T183 HydrophobicContact CE1-CG2 4.01Å; V71-T183 PolarHBondContact N-O 2.75Å; T183-V185 HydrophobicContact CG2-CG2 4.08Å
184L89.3Confident77.5Confident28 Ų2859.6 Ų59.615%0.14735%0.346CS..EExtended strand (participates in β ladder)trans-87.8127.8172.9-70.3174.5000111.1V71 P73 T191 Q195 F198 V205V71-L184 HydrophobicContact CB-CD2 3.68Å; V71-L184 HydrophobicContact CG1-CD2 3.9Å; V71-L184 CarbonylContact O-C 3.59Å; V71-L184 WeakPolarHBondContact O-CA 3.36Å; P73-L184 HydrophobicContact CG-CD2 4.44Å; L184-T191 HydrophobicContact CB-CG2 4.4Å; L184-T191 HydrophobicContact CD1-CG2 4.27Å; L184-Q195 HydrophobicContact CD1-CG 3.62Å; L184-F198 HydrophobicContact CD1-CD2 4.41Å; L184-F198 HydrophobicContact CD2-CD2 4.23Å; L184-F198 HydrophobicContact CD2-CE2 3.58Å; L184-F198 HydrophobicContact CD2-CZ 4.5Å; L184-F198 HydrophobicContact CG-CE2 4.44Å; L184-V205 HydrophobicContact CD1-CG1 3.6Å; L184-V205 HydrophobicContact CG-CG1 3.8Å
185V91Very high77.6Confident27 Ų2754.2 Ų54.216%0.16432%0.316CS..  trans-11784.9179.2-168.30000109Q57 A61 Y70 V71 M72 T183Q57-V185 HydrophobicContact CB-CG1 4.22Å; A61-V185 HydrophobicContact CB-CG1 4.46Å; A61-V185 HydrophobicContact CB-CG2 3.5Å; Y70-V185 HydrophobicContact CD1-CG2 4.39Å; V71-V185 PolarHBondContact O-N 3.41Å; M72-V185 HydrophobicContact CB-CB 4.42Å; M72-V185 HydrophobicContact CE-CB 4.25Å; M72-V185 HydrophobicContact CE-CG1 4.12Å; M72-V185 HydrophobicContact CG-CB 4.08Å; M72-V185 HydrophobicContact CG-CG2 4.29Å; T183-V185 HydrophobicContact CG2-CG2 4.08Å
186A86.3Confident77.6Confident36 Ų3656.8 Ų56.830%0.29833%0.329SS..SBendtrans-152.4170.4-178.800000112.5P73 L190 T191P73-A186 HydrophobicContact CB-CB 4.04Å; P73-A186 HydrophobicContact CG-CB 3.95Å; A186-L190 HydrophobicContact CB-CB 3.95Å; A186-T191 PolarHBondContact O-OG1 2.65Å
187G74.2Confident78.5Confident52 Ų5256.5 Ų56.554%0.53633%0.327SS..  trans-68.9156.1166.400000111.7S189 L190 T191G187-S189 VanDerWaalsContact C-N 3.32Å; G187-S189 PolarHBondContact O-N 2.83Å; G187-S189 VanDerWaalsContact O-N 3.11Å; G187-L190 PolarHBondContact O-N 2.92Å; G187-T191 PolarHBondContact O-N 2.96Å; G187-T191 PolarHBondContact O-OG1 3.06Å
188T71.5Confident79.8Confident131 Ų13153.4 Ų53.480%0.80431%0.308SS*.Hα-helixtrans-47.9-44.3-171.435.50000115T191 A192T188-T191 PolarHBondContact O-N 2.74Å; T188-A192 PolarHBondContact O-N 2.83Å; T188-A192 VanDerWaalsContact O-N 3.07Å
189S79Confident81Confident79 Ų7949.2 Ų49.255%0.55229%0.289SS*.Hα-helixtrans-65.3-44.1-179.6-179.50000113.1G187 R193G187-S189 VanDerWaalsContact C-N 3.32Å; G187-S189 PolarHBondContact O-N 2.83Å; G187-S189 VanDerWaalsContact O-N 3.11Å; S189-R193 WeakPolarHBondContact O-CG 3.49Å; S189-R193 PolarHBondContact O-N 3.17Å
190L83.6Confident82.4Confident66 Ų6643.6 Ų43.635%0.34627%0.274SS..Hα-helixtrans-71.9-37.7178.3-83.9170.1000111.4P73 A186 G187 A192 R193 Y194P73-L190 HydrophobicContact CB-CB 4.23Å; P73-L190 HydrophobicContact CB-CD1 4.32Å; P73-L190 HydrophobicContact CB-CD2 4.49Å; A186-L190 HydrophobicContact CB-CB 3.95Å; G187-L190 PolarHBondContact O-N 2.92Å; L190-A192 VanDerWaalsContact C-N 3.34Å; L190-A192 PolarHBondContact O-N 3.34Å; L190-R193 PolarHBondContact O-N 2.98Å; L190-Y194 HydrophobicContact CD2-CE2 4.17Å; L190-Y194 WeakPolarHBondContact O-CD2 3.5Å; L190-Y194 PolarHBondContact O-N 3.04Å
191T82Confident83.2Confident29 Ų2942.2 Ų42.218%0.17827%0.267CS..Hα-helixtrans-54.9-50.7173.7-58.60000110.5L184 A186 G187 T188 R193 Y194 Q195L184-T191 HydrophobicContact CB-CG2 4.4Å; L184-T191 HydrophobicContact CD1-CG2 4.27Å; A186-T191 PolarHBondContact O-OG1 2.65Å; G187-T191 PolarHBondContact O-N 2.96Å; G187-T191 PolarHBondContact O-OG1 3.06Å; T188-T191 PolarHBondContact O-N 2.74Å; T191-R193 VanDerWaalsContact C-N 3.34Å; T191-R193 PolarHBondContact O-N 3.06Å; T191-Y194 PolarHBondContact O-N 3.32Å; T191-Q195 HydrophobicContact CG2-CG 4.23Å; T191-Q195 WeakPolarHBondContact O-CB 3.46Å; T191-Q195 VanDerWaalsContact O-CG 3.27Å; T191-Q195 WeakPolarHBondContact O-CG 3.4Å; T191-Q195 PolarHBondContact O-N 2.92Å
192A80.3Confident83.2Confident41 Ų4142.3 Ų42.334%0.33927%0.274SS..Hα-helixtrans-59.2-41.3179.200000113T188 L190 Q196T188-A192 PolarHBondContact O-N 2.83Å; T188-A192 VanDerWaalsContact O-N 3.07Å; L190-A192 VanDerWaalsContact C-N 3.34Å; L190-A192 PolarHBondContact O-N 3.34Å; A192-Q196 WeakPolarHBondContact O-CG 3.37Å; A192-Q196 PolarHBondContact O-N 3.45Å; A192-Q196 VanDerWaalsContact O-N 3.11Å
193R89.6Confident81.7Confident46 Ų4642.8 Ų42.817%0.17428%0.277CS..Hα-helixtrans-65.5-44.8178.4-71.3176.8-175.7-89.50.1112.5F122 E158 S161 I165 S189 L190 T191 Q196 A197F122-R193 HydrophobicContact CE1-CB 4.32Å; F122-R193 HydrophobicContact CE1-CG 4.24Å; F122-R193 HydrophobicContact CE2-CB 4.13Å; F122-R193 HydrophobicContact CE2-CG 3.93Å; F122-R193 VanDerWaalsContact CE2-NH1 3.35Å; F122-R193 HydrophobicContact CZ-CB 3.62Å; F122-R193 HydrophobicContact CZ-CG 3.73Å; E158-R193 IonicContact OE1-CZ 3.83Å; E158-R193 IonicContact OE1-NH2 2.93Å; E158-R193 PolarHBondContact OE1-NH2 3.36Å; E158-R193 IonicContact OE2-CZ 3.97Å; E158-R193 IonicContact OE2-NH1 2.66Å; E158-R193 PolarHBondContact OE2-NH1 3.26Å; E158-R193 IonicContact OE2-NH2 3.98Å; E158-R193 PolarHBondContact OE2-NH2 3.35Å; S161-R193 PolarHBondContact OG-NH1 3.08Å; I165-R193 HydrophobicContact CD1-CB 3.95Å; S189-R193 WeakPolarHBondContact O-CG 3.49Å; S189-R193 PolarHBondContact O-N 3.17Å; L190-R193 PolarHBondContact O-N 2.98Å; T191-R193 VanDerWaalsContact C-N 3.34Å; T191-R193 PolarHBondContact O-N 3.06Å; R193-Q196 PolarHBondContact O-N 3.05Å; R193-A197 PolarHBondContact O-N 3.28Å
194Y92.9Very high79.9Confident3 Ų347.9 Ų47.91%0.01230%0.304CS..Hα-helixtrans-71.6-36.3178.4-84.3-110.1000111.7V71 P73 I165 E168 L190 T191 Q196 A197 F198V71-Y194 HydrophobicContact CG1-CD1 4.17Å; V71-Y194 HydrophobicContact CG1-CE1 4.25Å; P73-Y194 HydrophobicContact CB-CD2 3.86Å; P73-Y194 HydrophobicContact CB-CE1 4.19Å; P73-Y194 HydrophobicContact CB-CE2 3.5Å; P73-Y194 VanDerWaalsContact CB-CE2 3.5Å; P73-Y194 HydrophobicContact CB-CG 4.36Å; P73-Y194 HydrophobicContact CG-CD1 3.75Å; P73-Y194 HydrophobicContact CG-CD2 3.64Å; P73-Y194 HydrophobicContact CG-CE1 3.78Å; P73-Y194 HydrophobicContact CG-CE2 3.72Å; P73-Y194 HydrophobicContact CG-CG 3.65Å; I165-Y194 HydrophobicContact CD1-CD2 4.07Å; I165-Y194 HydrophobicContact CD1-CE2 3.72Å; I165-Y194 HydrophobicContact CG1-CE2 3.87Å; I165-Y194 HydrophobicContact CG2-CD1 4.47Å; I165-Y194 HydrophobicContact CG2-CD2 4.19Å; I165-Y194 HydrophobicContact CG2-CE2 4.18Å; I165-Y194 HydrophobicContact CG2-CG 4.34Å; E168-Y194 PolarHBondContact OE2-OH 2.86Å; L190-Y194 HydrophobicContact CD2-CE2 4.17Å; L190-Y194 WeakPolarHBondContact O-CD2 3.5Å; L190-Y194 PolarHBondContact O-N 3.04Å; T191-Y194 PolarHBondContact O-N 3.32Å; Y194-Q196 VanDerWaalsContact C-N 3.32Å; Y194-Q196 PolarHBondContact O-N 2.71Å; Y194-A197 WeakPolarHBondContact O-CB 3.27Å; Y194-A197 PolarHBondContact O-N 3.26Å; Y194-A197 VanDerWaalsContact O-N 3.09Å; Y194-F198 HydrophobicContact CD1-CE2 4.06Å; Y194-F198 WeakPolarHBondContact O-CD2 3.27Å; Y194-F198 PolarHBondContact O-N 3.12Å
195Q85.2Confident77.9Confident42 Ų4247 Ų4720%0.19630%0.299CS..Hα-helixtrans-55.7-47.3172-77178.3-58.800111.2L184 T191 A197 F198 Q199 V205 D353L184-Q195 HydrophobicContact CD1-CG 3.62Å; T191-Q195 HydrophobicContact CG2-CG 4.23Å; T191-Q195 WeakPolarHBondContact O-CB 3.46Å; T191-Q195 VanDerWaalsContact O-CG 3.27Å; T191-Q195 WeakPolarHBondContact O-CG 3.4Å; T191-Q195 PolarHBondContact O-N 2.92Å; Q195-A197 VanDerWaalsContact C-N 3.28Å; Q195-A197 PolarHBondContact O-N 3.45Å; Q195-F198 PolarHBondContact O-N 3.26Å; Q195-Q199 VanDerWaalsContact O-CB 3.31Å; Q195-Q199 WeakPolarHBondContact O-CB 3.4Å; Q195-Q199 WeakPolarHBondContact O-CG 3.07Å; Q195-Q199 PolarHBondContact O-N 3.08Å; Q195-V205 HydrophobicContact CG-CB 4.49Å; Q195-V205 HydrophobicContact CG-CG1 4.25Å; Q195-D353 PolarHBondContact NE2-OD2 3.03Å
196Q85Confident75.9Confident85 Ų8548.8 Ų48.840%0.39731%0.311SS..Hα-helixtrans-58.3-41175.2-71.5179.819.400112.1F122 L126 A192 R193 Y194 A200F122-Q196 HydrophobicContact CE1-CB 4.37Å; L126-Q196 HydrophobicContact CD2-CB 3.95Å; A192-Q196 WeakPolarHBondContact O-CG 3.37Å; A192-Q196 PolarHBondContact O-N 3.45Å; A192-Q196 VanDerWaalsContact O-N 3.11Å; R193-Q196 PolarHBondContact O-N 3.05Å; Y194-Q196 VanDerWaalsContact C-N 3.32Å; Y194-Q196 PolarHBondContact O-N 2.71Å; Q196-A200 VanDerWaalsContact O-CB 3.3Å; Q196-A200 WeakPolarHBondContact O-CB 3.41Å; Q196-A200 PolarHBondContact O-N 2.9Å
197A90.7Very high74.1Confident0 Ų048.7 Ų48.70%031%0.31CS..Hα-helixtrans-64.9-46.3179.700000113.2L126 I165 V169 R193 Y194 Q195 A200 M201L126-A197 HydrophobicContact CD1-CB 3.54Å; L126-A197 HydrophobicContact CD2-CB 4.43Å; I165-A197 HydrophobicContact CG2-CB 3.68Å; V169-A197 HydrophobicContact CB-CB 4.41Å; V169-A197 HydrophobicContact CG2-CB 3.81Å; R193-A197 PolarHBondContact O-N 3.28Å; Y194-A197 WeakPolarHBondContact O-CB 3.27Å; Y194-A197 PolarHBondContact O-N 3.26Å; Y194-A197 VanDerWaalsContact O-N 3.09Å; Q195-A197 VanDerWaalsContact C-N 3.28Å; Q195-A197 PolarHBondContact O-N 3.45Å; A197-A200 PolarHBondContact O-N 2.97Å; A197-M201 PolarHBondContact O-N 3.05Å; A197-M201 VanDerWaalsContact O-N 3.15Å
198F86.7Confident73.5Confident0 Ų047.6 Ų47.60%029%0.29CS..Hα-helixtrans-69.6-40.7177.5-75.6-65.8000112.7V71 W79 V169 I182 L184 Y194 Q195 A200 M201 G202 C203 V205V71-F198 HydrophobicContact CB-CZ 4.3Å; V71-F198 HydrophobicContact CG1-CE2 4.32Å; V71-F198 HydrophobicContact CG1-CZ 4.11Å; V71-F198 HydrophobicContact CG2-CZ 3.92Å; W79-F198 AromaticContact CH2-CE1 3.31Å; W79-F198 HydrophobicContact CH2-CE1 3.31Å; W79-F198 HydrophobicContact CH2-CE2 4.42Å; W79-F198 AromaticContact CH2-CZ 3.18Å; W79-F198 HydrophobicContact CH2-CZ 3.18Å; W79-F198 HydrophobicContact CZ2-CE1 4.42Å; W79-F198 AromaticContact CZ2-CZ 3.95Å; W79-F198 HydrophobicContact CZ2-CZ 3.95Å; W79-F198 AromaticContact CZ3-CE1 3.55Å; W79-F198 HydrophobicContact CZ3-CE1 3.55Å; W79-F198 AromaticContact CZ3-CZ 3.54Å; W79-F198 HydrophobicContact CZ3-CZ 3.54Å; V169-F198 HydrophobicContact CG1-CD1 3.83Å; V169-F198 HydrophobicContact CG1-CE1 3.9Å; V169-F198 HydrophobicContact CG1-CG 4.49Å; V169-F198 HydrophobicContact CG2-CE1 4.41Å; V169-F198 HydrophobicContact CG2-CZ 4.31Å; I182-F198 HydrophobicContact CD1-CD1 3.57Å; I182-F198 HydrophobicContact CD1-CE1 3.49Å; I182-F198 VanDerWaalsContact CD1-CE1 3.49Å; I182-F198 HydrophobicContact CD1-CG 4.28Å; I182-F198 HydrophobicContact CD1-CZ 4.19Å; I182-F198 HydrophobicContact CG2-CE2 4.43Å; I182-F198 HydrophobicContact CG2-CZ 4.27Å; L184-F198 HydrophobicContact CD1-CD2 4.41Å; L184-F198 HydrophobicContact CD2-CD2 4.23Å; L184-F198 HydrophobicContact CD2-CE2 3.58Å; L184-F198 HydrophobicContact CD2-CZ 4.5Å; L184-F198 HydrophobicContact CG-CE2 4.44Å; Y194-F198 HydrophobicContact CD1-CE2 4.06Å; Y194-F198 WeakPolarHBondContact O-CD2 3.27Å; Y194-F198 PolarHBondContact O-N 3.12Å; Q195-F198 PolarHBondContact O-N 3.26Å; F198-A200 VanDerWaalsContact C-N 3.27Å; F198-A200 PolarHBondContact O-N 3.01Å; F198-M201 CarbonylContact O-C 3.56Å; F198-M201 WeakPolarHBondContact O-CA 3.4Å; F198-M201 WeakPolarHBondContact O-CB 3.42Å; F198-M201 PolarHBondContact O-N 3.22Å; F198-G202 PolarHBondContact O-N 3.2Å; F198-C203 CarbonylContact C-O 3.55Å; F198-C203 HydrophobicContact CB-CB 4.21Å; F198-C203 HydrophobicContact CD1-CB 3.98Å; F198-C203 PolarHBondContact O-N 2.86Å; F198-V205 HydrophobicContact CB-CB 4.49Å; F198-V205 HydrophobicContact CB-CG2 2.99Å; F198-V205 HydrophobicContact CD1-CG2 4.47Å; F198-V205 HydrophobicContact CD2-CG2 3.54Å; F198-V205 HydrophobicContact CG-CG2 3.45Å; F198-V205 VanDerWaalsContact CG-CG2 3.45Å
199Q79.4Confident73.2Confident73 Ų7346.7 Ų46.734%0.34128%0.276SS..Hα-helixtrans-56-45.5172.7-77.7175.1-8.700110.9Q195 M201 G202Q195-Q199 VanDerWaalsContact O-CB 3.31Å; Q195-Q199 WeakPolarHBondContact O-CB 3.4Å; Q195-Q199 WeakPolarHBondContact O-CG 3.07Å; Q195-Q199 PolarHBondContact O-N 3.08Å; Q199-M201 PolarHBondContact O-N 2.85Å; Q199-G202 PolarHBondContact O-N 3.07Å
200A81.1Confident73.1Confident65 Ų6543.7 Ų43.754%0.53726%0.255SS..Hα-helixtrans-66.3-22.8177.200000113.5L130 Q196 A197 F198 G202L130-A200 HydrophobicContact CD1-CB 3.4Å; Q196-A200 VanDerWaalsContact O-CB 3.3Å; Q196-A200 WeakPolarHBondContact O-CB 3.41Å; Q196-A200 PolarHBondContact O-N 2.9Å; A197-A200 PolarHBondContact O-N 2.97Å; F198-A200 VanDerWaalsContact C-N 3.27Å; F198-A200 PolarHBondContact O-N 3.01Å; A200-G202 VanDerWaalsContact C-N 3.34Å
201M78.3Confident72.9Confident18 Ų1850.3 Ų50.39%0.08928%0.281CS..THydrogen-bonded Turntrans-81.9-7.8169.6-71.7-126.6-40.600114.4L130 V169 A170 R173 A197 F198 Q199L130-M201 HydrophobicContact CD2-CG 3.46Å; L130-M201 VanDerWaalsContact CD2-CG 3.46Å; L130-M201 HydrophobicContact CD2-SD 3.95Å; V169-M201 HydrophobicContact CG1-CE 3.71Å; V169-M201 HydrophobicContact CG1-CG 3.67Å; V169-M201 HydrophobicContact CG1-SD 3.71Å; V169-M201 WeakPolarHBondContact O-CE 2.93Å; A170-M201 HydrophobicContact CB-SD 4.45Å; R173-M201 HydrophobicContact CB-CE 3.89Å; R173-M201 HydrophobicContact CG-CE 3.88Å; R173-M201 PolarHBondContact NE-SD 3.26Å; R173-M201 VanDerWaalsContact NE-SD 3.45Å; R173-M201 PolarHBondContact NH2-SD 2.91Å; A197-M201 PolarHBondContact O-N 3.05Å; A197-M201 VanDerWaalsContact O-N 3.15Å; F198-M201 CarbonylContact O-C 3.56Å; F198-M201 WeakPolarHBondContact O-CA 3.4Å; F198-M201 WeakPolarHBondContact O-CB 3.42Å; F198-M201 PolarHBondContact O-N 3.22Å; Q199-M201 PolarHBondContact O-N 2.85Å
202G67.2Low73.4Confident55 Ų5549.5 Ų49.557%0.56728%0.275SS*.THydrogen-bonded Turntrans69.922.9-168.500000113F198 Q199 A200F198-G202 PolarHBondContact O-N 3.2Å; Q199-G202 PolarHBondContact O-N 3.07Å; A200-G202 VanDerWaalsContact C-N 3.34Å
203C56Low73.9Confident11 Ų1148 Ų487%0.07426%0.263CS..  trans-93.9111.6170-64.60000108I182 F198 V205I182-C203 HydrophobicContact CD1-CB 4.14Å; F198-C203 CarbonylContact C-O 3.55Å; F198-C203 HydrophobicContact CB-CB 4.21Å; F198-C203 HydrophobicContact CD1-CB 3.98Å; F198-C203 PolarHBondContact O-N 2.86Å; C203-V205 PolarHBondContact O-N 3.25Å
204D48.6Very low74.3Confident118 Ų11845.9 Ų45.963%0.63125%0.254SS*.  trans-66.6104.8177.5-82-32.5000110.7T206 A207D204-T206 VanDerWaalsContact C-N 3.34Å; D204-T206 PolarHBondContact O-N 3.18Å; D204-A207 HydrophobicContact CB-CB 3.56Å; D204-A207 WeakPolarHBondContact OD1-CB 3.44Å
205V48.2Very low74.5Confident9 Ų946 Ų466%0.05526%0.255CS..SBendtrans-80.389.2171.3-166.30000108L184 Q195 F198 C203 A207L184-V205 HydrophobicContact CD1-CG1 3.6Å; L184-V205 HydrophobicContact CG-CG1 3.8Å; Q195-V205 HydrophobicContact CG-CB 4.49Å; Q195-V205 HydrophobicContact CG-CG1 4.25Å; F198-V205 HydrophobicContact CB-CB 4.49Å; F198-V205 HydrophobicContact CB-CG2 2.99Å; F198-V205 HydrophobicContact CD1-CG2 4.47Å; F198-V205 HydrophobicContact CD2-CG2 3.54Å; F198-V205 HydrophobicContact CG-CG2 3.45Å; F198-V205 VanDerWaalsContact CG-CG2 3.45Å; C203-V205 PolarHBondContact O-N 3.25Å; V205-A207 PolarHBondContact O-N 2.85Å
206T47.2Very low75.2Confident65 Ų6544 Ų4440%0.39925%0.246SC..SBendtrans43.551.1-173.239.20000111.6D204D204-T206 VanDerWaalsContact C-N 3.34Å; D204-T206 PolarHBondContact O-N 3.18Å
207A49Very low75.8Confident35 Ų3540.3 Ų40.329%0.28923%0.229SC..SBendtrans-61.7140.7140.700000106.1D204 V205 Q209D204-A207 HydrophobicContact CB-CB 3.56Å; D204-A207 WeakPolarHBondContact OD1-CB 3.44Å; V205-A207 PolarHBondContact O-N 2.85Å; A207-Q209 PolarHBondContact O-N 3.43Å
208W61.8Low76.2Confident28 Ų2840.3 Ų40.311%0.10623%0.229CC..  trans-16.4125.1177.8-179.7-103.8000116T210 I215 A240 L266 L288 T308 C310 A329 A355 F357W208-T210 HydrophobicContact CZ2-CG2 4.16Å; W208-T210 PolarHBondContact NE1-OG1 3.04Å; W208-T210 PolarHBondContact O-N 3.34Å; W208-I215 HydrophobicContact CH2-CD1 3.59Å; W208-I215 HydrophobicContact CH2-CG1 4.11Å; W208-I215 HydrophobicContact CZ2-CD1 3.71Å; W208-I215 HydrophobicContact CZ2-CG1 3.7Å; W208-A240 HydrophobicContact CZ2-CB 4.11Å; W208-L266 HydrophobicContact CH2-CD2 4.3Å; W208-L266 HydrophobicContact CZ2-CD2 4.42Å; W208-L288 HydrophobicContact CH2-CD1 3.84Å; W208-L288 HydrophobicContact CZ3-CD1 4.44Å; W208-T308 HydrophobicContact CE3-CG2 4.2Å; W208-T308 HydrophobicContact CH2-CG2 4.18Å; W208-T308 HydrophobicContact CZ3-CG2 3.54Å; W208-C310 HydrophobicContact CZ3-CB 4.4Å; W208-A329 HydrophobicContact CE3-CB 3.88Å; W208-A329 HydrophobicContact CZ3-CB 3.96Å; W208-A355 HydrophobicContact CB-CB 3.98Å; W208-F357 HydrophobicContact CB-CZ 4.34Å; W208-F357 AromaticContact CD1-CZ 3.81Å; W208-F357 HydrophobicContact CD2-CE1 4.4Å; W208-F357 AromaticContact CD2-CE2 3.76Å; W208-F357 HydrophobicContact CD2-CE2 3.76Å; W208-F357 AromaticContact CD2-CZ 3.35Å; W208-F357 HydrophobicContact CD2-CZ 3.35Å; W208-F357 AromaticContact CE2-CZ 3.45Å; W208-F357 VanDerWaalsContact CE2-CZ 3.45Å; W208-F357 AromaticContact CE3-CE2 3.78Å; W208-F357 HydrophobicContact CE3-CE2 3.78Å; W208-F357 AromaticContact CE3-CZ 3.85Å; W208-F357 HydrophobicContact CE3-CZ 3.85Å; W208-F357 HydrophobicContact CG-CE2 4.12Å; W208-F357 AromaticContact CG-CZ 3.58Å; W208-F357 HydrophobicContact CG-CZ 3.58Å; W208-F357 HydrophobicContact CH2-CZ 4.43Å; W208-F357 HydrophobicContact CZ2-CE1 4.4Å; W208-F357 HydrophobicContact CZ2-CZ 4.02Å; W208-F357 HydrophobicContact CZ3-CE2 4.25Å; W208-F357 HydrophobicContact CZ3-CZ 4.35Å; W208-F357 AromaticContact NE1-CZ 3.7Å
209Q65.8Low76.7Confident112 Ų11244.8 Ų44.852%0.52325%0.246SC..SBendtrans-66.9-0.2-163.7-63.2-178.1-3.100116.3A207 T308A207-Q209 PolarHBondContact O-N 3.43Å; Q209-T308 PolarHBondContact OE1-OG1 3.33Å
210T75.9Confident77.6Confident17 Ų1742.2 Ų42.210%0.10424%0.239CC..SBendtrans-116.1145.3-170.390.80000111.5W208 L212 D239 A240 L266W208-T210 HydrophobicContact CZ2-CG2 4.16Å; W208-T210 PolarHBondContact NE1-OG1 3.04Å; W208-T210 PolarHBondContact O-N 3.34Å; T210-L212 PolarHBondContact O-N 2.97Å; T210-L212 PolarHBondContact OG1-O 2.77Å; T210-D239 VanDerWaalsContact CB-CG 3.41Å; T210-D239 WeakPolarHBondContact CB-OD1 2.92Å; T210-D239 PolarHBondContact OG1-OD1 3.35Å; T210-D239 VanDerWaalsContact OG1-OD1 3.06Å; T210-A240 HydrophobicContact CG2-CB 4.12Å; T210-L266 HydrophobicContact CG2-CB 4.25Å; T210-L266 HydrophobicContact CG2-CD2 4.22Å
211K81.2Confident78.4Confident205 Ų20539.1 Ų39.189%0.89121%0.213SC*.SBendtrans-68.6-28.9-177.5-60.7174.3-176.6171.20111.5D239K211-D239 WeakPolarHBondContact CB-OD2 3.33Å; K211-D239 PolarHBondContact N-OD2 3.4Å
212L90.9Very high79.4Confident11 Ų1143.5 Ų43.56%0.05823%0.232CC..SBendtrans-117.3106.4174-174.371.1000108T210 L214 G237 F238 D239 V402 Y405T210-L212 PolarHBondContact O-N 2.97Å; T210-L212 PolarHBondContact OG1-O 2.77Å; L212-L214 HydrophobicContact CD1-CD1 4.05Å; L212-L214 HydrophobicContact CD1-CG 4.19Å; L212-L214 HydrophobicContact CD2-CB 4.23Å; L212-L214 HydrophobicContact CD2-CD1 3.94Å; L212-L214 HydrophobicContact CD2-CG 4.28Å; L212-L214 HydrophobicContact CG-CB 4.08Å; L212-L214 HydrophobicContact CG-CD1 3.98Å; L212-L214 HydrophobicContact CG-CG 3.89Å; L212-L214 PolarHBondContact O-N 3.35Å; L212-G237 WeakPolarHBondContact CD2-O 3.34Å; L212-F238 HydrophobicContact CD2-CD1 4.49Å; L212-F238 HydrophobicContact CD2-CD2 4.11Å; L212-F238 HydrophobicContact CD2-CE2 4.38Å; L212-F238 HydrophobicContact CD2-CG 4.16Å; L212-D239 PolarHBondContact N-OD1 2.93Å; L212-D239 VanDerWaalsContact O-OD1 3.14Å; L212-V402 HydrophobicContact CD2-CG2 3.63Å; L212-Y405 HydrophobicContact CD1-CD1 3.47Å; L212-Y405 VanDerWaalsContact CD1-CD1 3.47Å; L212-Y405 HydrophobicContact CD1-CE1 4.11Å; L212-Y405 HydrophobicContact CD1-CG 3.99Å
213P91.9Very high80.9Confident11 Ų1142.5 Ų42.57%0.07122%0.215CC..  trans-76.451.5-179.832.4-35.1000111.5F357 A376 G377 A378 Y405P213-F357 HydrophobicContact CB-CE1 3.98Å; P213-F357 HydrophobicContact CB-CZ 4.04Å; P213-F357 WeakPolarHBondContact O-CE1 3.42Å; P213-A376 WeakPolarHBondContact CG-O 3.43Å; P213-G377 CarbonylContact O-C 3.23Å; P213-G377 WeakPolarHBondContact O-CA 3.21Å; P213-A378 PolarHBondContact O-N 3.06Å; P213-Y405 VanDerWaalsContact CD-CZ 3.43Å; P213-Y405 WeakPolarHBondContact CD-OH 3.36Å; P213-Y405 HydrophobicContact CG-CE1 4.05Å; P213-Y405 HydrophobicContact CG-CE2 3.59Å; P213-Y405 WeakPolarHBondContact CG-OH 3.29Å
214L96.9Very high82.8Confident0 Ų048.7 Ų48.70%025%0.247CC..EExtended strand (participates in β ladder)trans-118.8120.9171.2-58.4-178.1000108.1L212 F238 L367 A378 L380 F401 Y405L212-L214 HydrophobicContact CD1-CD1 4.05Å; L212-L214 HydrophobicContact CD1-CG 4.19Å; L212-L214 HydrophobicContact CD2-CB 4.23Å; L212-L214 HydrophobicContact CD2-CD1 3.94Å; L212-L214 HydrophobicContact CD2-CG 4.28Å; L212-L214 HydrophobicContact CG-CB 4.08Å; L212-L214 HydrophobicContact CG-CD1 3.98Å; L212-L214 HydrophobicContact CG-CG 3.89Å; L212-L214 PolarHBondContact O-N 3.35Å; L214-F238 HydrophobicContact CB-CD1 3.98Å; L214-F238 HydrophobicContact CB-CE1 3.41Å; L214-F238 VanDerWaalsContact CB-CE1 3.41Å; L214-F238 HydrophobicContact CB-CZ 3.98Å; L214-F238 HydrophobicContact CD1-CE1 4.31Å; L214-F238 HydrophobicContact CD1-CZ 4.02Å; L214-F238 VanDerWaalsContact O-CD1 3.28Å; L214-F238 WeakPolarHBondContact O-CD1 3.34Å; L214-L367 HydrophobicContact CD2-CD1 4.35Å; L214-L367 HydrophobicContact CD2-CD2 4.18Å; L214-A378 CarbonylContact C-O 3.45Å; L214-A378 VanDerWaalsContact CA-O 3.29Å; L214-A378 WeakPolarHBondContact CA-O 3.33Å; L214-A378 HydrophobicContact CD2-CB 4.14Å; L214-L380 HydrophobicContact CB-CD1 4.06Å; L214-L380 HydrophobicContact CD1-CD1 4.17Å; L214-L380 HydrophobicContact CD2-CD1 4.36Å; L214-L380 HydrophobicContact CG-CD1 4.44Å; L214-F401 HydrophobicContact CD1-CB 4.11Å; L214-Y405 HydrophobicContact CD1-CG 4.39Å; L214-Y405 HydrophobicContact CD2-CD2 3.98Å; L214-Y405 HydrophobicContact CD2-CG 4.43Å; L214-Y405 HydrophobicContact CG-CD2 4.36Å; L214-Y405 HydrophobicContact CG-CG 4.39Å
215I98Very high85.2Confident5 Ų544.8 Ų44.83%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-96.7116.1177.7-55172.3000108.1W208 A240 E242 L288 F357 A378 G379 L380W208-I215 HydrophobicContact CH2-CD1 3.59Å; W208-I215 HydrophobicContact CH2-CG1 4.11Å; W208-I215 HydrophobicContact CZ2-CD1 3.71Å; W208-I215 HydrophobicContact CZ2-CG1 3.7Å; I215-A240 HydrophobicContact CB-CB 4.47Å; I215-A240 HydrophobicContact CG1-CB 4.09Å; I215-E242 HydrophobicContact CG2-CG 4.19Å; I215-L288 HydrophobicContact CG2-CD2 4.02Å; I215-F357 HydrophobicContact CD1-CD1 4.03Å; I215-F357 HydrophobicContact CD1-CE1 4.07Å; I215-F357 HydrophobicContact CD1-CG 4.46Å; I215-F357 HydrophobicContact CG1-CD1 4.28Å; I215-F357 HydrophobicContact CG1-CE1 4.09Å; I215-A378 PolarHBondContact N-O 2.61Å; I215-G379 WeakPolarHBondContact O-CA 3.24Å; I215-L380 PolarHBondContact O-N 2.93Å
216A98.6Very high87.6Confident0 Ų044.4 Ų44.40%022%0.223CC..EExtended strand (participates in β ladder)trans-78.3123.1175.900000111.2L218 V233 F238 A240 V241 E242 L384A216-L218 HydrophobicContact CB-CD1 3.83Å; A216-V233 HydrophobicContact CB-CG1 3.49Å; A216-V233 VanDerWaalsContact CB-CG1 3.49Å; A216-F238 HydrophobicContact CB-CD1 3.82Å; A216-F238 HydrophobicContact CB-CE1 4.06Å; A216-A240 PolarHBondContact N-O 2.98Å; A216-V241 HydrophobicContact CB-CG2 4.32Å; A216-E242 PolarHBondContact O-N 3.49Å; A216-L384 HydrophobicContact CB-CD2 3.47Å; A216-L384 VanDerWaalsContact CB-CD2 3.47Å
217I98.6Very high90Very high8 Ų844.9 Ų44.94%0.04122%0.223CC..EExtended strand (participates in β ladder)trans-110.6102.1-176.9-52176.8000110.2R219 E242 P244 V359 L380I217-R219 VanDerWaalsContact C-N 3.33Å; I217-R219 HydrophobicContact CG2-CB 4.47Å; I217-R219 PolarHBondContact O-N 2.93Å; I217-E242 HydrophobicContact CB-CG 4.03Å; I217-E242 WeakPolarHBondContact CD1-OE1 3.41Å; I217-E242 HydrophobicContact CG1-CG 3.73Å; I217-E242 VanDerWaalsContact CG1-OE1 3.25Å; I217-E242 WeakPolarHBondContact CG1-OE1 3.32Å; I217-E242 HydrophobicContact CG2-CG 4.06Å; I217-E242 WeakPolarHBondContact CG2-OE1 3.08Å; I217-P244 HydrophobicContact CG2-CG 3.67Å; I217-V359 HydrophobicContact CD1-CG1 3.94Å; I217-L380 WeakPolarHBondContact CB-O 3.37Å; I217-L380 PolarHBondContact N-O 3.28Å
218L98.5Very high92.4Very high0 Ų045.6 Ų45.60%023%0.229CC..  trans-95.859-175.1-67.874.1000111A216 G220 I221 H229 V230 V241 E242 Y385A216-L218 HydrophobicContact CB-CD1 3.83Å; L218-G220 PolarHBondContact O-N 3.06Å; L218-I221 HydrophobicContact CB-CB 4.2Å; L218-I221 HydrophobicContact CB-CD1 4.05Å; L218-I221 HydrophobicContact CB-CG2 4.16Å; L218-I221 HydrophobicContact CD2-CD1 3.54Å; L218-I221 HydrophobicContact CG-CD1 4.38Å; L218-I221 WeakPolarHBondContact O-CB 3.48Å; L218-I221 WeakPolarHBondContact O-CG2 3.25Å; L218-I221 PolarHBondContact O-N 3.24Å; L218-H229 HydrophobicContact CD2-CB 3.81Å; L218-V230 HydrophobicContact CD2-CG2 3.8Å; L218-V241 HydrophobicContact CD1-CG1 3.76Å; L218-E242 PolarHBondContact N-O 3.33Å; L218-E242 VanDerWaalsContact N-O 3.09Å; L218-Y385 HydrophobicContact CB-CD1 4.04Å; L218-Y385 HydrophobicContact CB-CE1 4.39Å; L218-Y385 HydrophobicContact CB-CG 4.31Å; L218-Y385 HydrophobicContact CG-CD1 4.46Å; L218-Y385 HydrophobicContact CG-CG 4.23Å
219R98.3Very high94.1Very high94 Ų9444.4 Ų44.436%0.35523%0.225SC..THydrogen-bonded Turntrans-63.2127.5-178.1-168.3178.9-59.3-82.60.4111.9I217 I221 P244 N246 T271 Y385I217-R219 VanDerWaalsContact C-N 3.33Å; I217-R219 HydrophobicContact CG2-CB 4.47Å; I217-R219 PolarHBondContact O-N 2.93Å; R219-I221 VanDerWaalsContact C-N 3.34Å; R219-P244 HydrophobicContact CB-CB 4.43Å; R219-P244 HydrophobicContact CB-CG 3.84Å; R219-P244 HydrophobicContact CG-CB 4.11Å; R219-P244 HydrophobicContact CG-CG 4.05Å; R219-N246 VanDerWaalsContact NH1-CG 3.28Å; R219-N246 PolarHBondContact NH1-ND2 2.89Å; R219-N246 PolarHBondContact NH1-OD1 3.01Å; R219-T271 PolarHBondContact NH1-OG1 3.49Å; R219-Y385 WeakPolarHBondContact O-CE1 3.49Å
220G98Very high95.7Very high19 Ų1939.1 Ų39.120%0.19620%0.2CC..THydrogen-bonded Turntrans858.2176.200000114L218 S247L218-G220 PolarHBondContact O-N 3.06Å; G220-S247 PolarHBondContact N-OG 3.19Å
221I98.3Very high96.8Very high0 Ų038.5 Ų38.50%020%0.197CC..  trans-65.6140.2176.5-162.8157.6000112L218 R219 E225 A226 H229 I243 Y385L218-I221 HydrophobicContact CB-CB 4.2Å; L218-I221 HydrophobicContact CB-CD1 4.05Å; L218-I221 HydrophobicContact CB-CG2 4.16Å; L218-I221 HydrophobicContact CD2-CD1 3.54Å; L218-I221 HydrophobicContact CG-CD1 4.38Å; L218-I221 WeakPolarHBondContact O-CB 3.48Å; L218-I221 WeakPolarHBondContact O-CG2 3.25Å; L218-I221 PolarHBondContact O-N 3.24Å; R219-I221 VanDerWaalsContact C-N 3.34Å; I221-E225 HydrophobicContact CD1-CG 4.37Å; I221-E225 HydrophobicContact CG1-CG 3.67Å; I221-A226 HydrophobicContact CD1-CB 4.47Å; I221-A226 HydrophobicContact CG1-CB 4.5Å; I221-H229 HydrophobicContact CD1-CB 3.73Å; I221-I243 HydrophobicContact CG2-CD1 3.6Å; I221-I243 HydrophobicContact CG2-CG1 3.94Å; I221-I243 HydrophobicContact CG2-CG2 4.11Å; I221-Y385 WeakPolarHBondContact CA-OH 3.35Å; I221-Y385 HydrophobicContact CB-CE1 4.01Å; I221-Y385 HydrophobicContact CD1-CE2 4.39Å
222K98.3Very high97.6Very high111 Ų11129.4 Ų29.448%0.48316%0.16SC..  trans-95157.3176.2-61.4175.3-174.4170.10111.7D224 E225 A226 P248K222-D224 VanDerWaalsContact C-N 3.3Å; K222-D224 WeakPolarHBondContact CB-OD1 3.32Å; K222-D224 PolarHBondContact O-N 3.23Å; K222-E225 HydrophobicContact CB-CG 4.15Å; K222-E225 PolarHBondContact N-OE1 3.14Å; K222-E225 WeakPolarHBondContact O-CG 3.45Å; K222-E225 PolarHBondContact O-N 2.88Å; K222-A226 WeakPolarHBondContact O-CB 3.45Å; K222-A226 PolarHBondContact O-N 3.01Å; K222-A226 VanDerWaalsContact O-N 3.09Å; K222-P248 HydrophobicContact CG-CG 4.47Å
223P98.1Very high98Very high33 Ų3328.9 Ų28.921%0.21416%0.157CC..Hα-helixtrans-58.1-36.6-178.9-26.835000114.9E225 Q249 Q252 S253P223-E225 VanDerWaalsContact C-N 3.32Å; P223-E225 PolarHBondContact O-N 3.07Å; P223-Q249 HydrophobicContact CG-CB 3.68Å; P223-Q252 HydrophobicContact CB-CB 4.03Å; P223-Q252 HydrophobicContact CG-CB 3.89Å; P223-S253 WeakPolarHBondContact CA-OG 3.23Å
224D97.7Very high98.3Very high141 Ų14129.4 Ų29.475%0.75416%0.159SC*.Hα-helixtrans-72.2-22.7-175.758.4-35.2000113.9K222K222-D224 VanDerWaalsContact C-N 3.3Å; K222-D224 WeakPolarHBondContact CB-OD1 3.32Å; K222-D224 PolarHBondContact O-N 3.23Å
225E97.8Very high98.3Very high37 Ų3736.2 Ų36.217%0.17320%0.195CC..Hα-helixtrans-105.3-13.7178.769.4-170.716800112.8I221 K222 P223 L227 A228 H229 Y385I221-E225 HydrophobicContact CD1-CG 4.37Å; I221-E225 HydrophobicContact CG1-CG 3.67Å; K222-E225 HydrophobicContact CB-CG 4.15Å; K222-E225 PolarHBondContact N-OE1 3.14Å; K222-E225 WeakPolarHBondContact O-CG 3.45Å; K222-E225 PolarHBondContact O-N 2.88Å; P223-E225 VanDerWaalsContact C-N 3.32Å; P223-E225 PolarHBondContact O-N 3.07Å; E225-L227 PolarHBondContact O-N 3.04Å; E225-A228 PolarHBondContact O-N 3.48Å; E225-H229 PolarHBondContact O-CD2 3.21Å; E225-H229 VanDerWaalsContact O-CD2 3.28Å; E225-H229 PolarHBondContact O-N 3.37Å; E225-H229 IonicContact OE2-NE2 3.99Å; E225-Y385 PolarHBondContact OE1-OH 2.99Å
226A98.3Very high98.3Very high1 Ų137.1 Ų37.11%0.00820%0.204CC..Hα-helixtrans-49.7-53.7-173.700000114I221 K222 A228 V230 I257I221-A226 HydrophobicContact CD1-CB 4.47Å; I221-A226 HydrophobicContact CG1-CB 4.5Å; K222-A226 WeakPolarHBondContact O-CB 3.45Å; K222-A226 PolarHBondContact O-N 3.01Å; K222-A226 VanDerWaalsContact O-N 3.09Å; A226-A228 VanDerWaalsContact C-N 3.33Å; A226-A228 PolarHBondContact O-N 2.92Å; A226-V230 WeakPolarHBondContact O-CB 3.07Å; A226-V230 WeakPolarHBondContact O-CG2 3.22Å; A226-V230 PolarHBondContact O-N 3.25Å; A226-I257 HydrophobicContact CB-CD1 3.87Å; A226-I257 HydrophobicContact CB-CG1 4.3Å
227L98.5Very high98.2Very high75 Ų7538.7 Ų38.739%0.39322%0.22SC..Hα-helixtrans-64.3-36.5-175.8-70175.9000113.2E225 G231 A256 I257 A260 Y261E225-L227 PolarHBondContact O-N 3.04Å; L227-G231 PolarHBondContact O-N 3.16Å; L227-A256 WeakPolarHBondContact CD2-O 3.5Å; L227-I257 HydrophobicContact CD2-CG1 4.26Å; L227-A260 HydrophobicContact CD2-CB 3.61Å; L227-Y261 HydrophobicContact CD2-CD2 4.43Å; L227-Y261 HydrophobicContact CD2-CE2 3.93Å; L227-Y261 PolarHBondContact O-OH 2.87Å; L227-Y261 VanDerWaalsContact O-OH 3.09Å
228A98.5Very high98.1Very high50 Ų5038.5 Ų38.541%0.41322%0.219SC..Hα-helixtrans-72.8-44-177.300000111.3E225 A226 A232 V391E225-A228 PolarHBondContact O-N 3.48Å; A226-A228 VanDerWaalsContact C-N 3.33Å; A226-A228 PolarHBondContact O-N 2.92Å; A228-A232 PolarHBondContact O-N 3.26Å; A228-V391 HydrophobicContact CB-CG2 3.8Å
229H98.8Very high97.9Very high3 Ų339.7 Ų39.71%0.01423%0.225CC..Hα-helixtrans-68.1-41.7176.3-74.5-78.3000112.5L218 I221 E225 A232 V233 Y385 Q389 T394L218-H229 HydrophobicContact CD2-CB 3.81Å; I221-H229 HydrophobicContact CD1-CB 3.73Å; E225-H229 PolarHBondContact O-CD2 3.21Å; E225-H229 VanDerWaalsContact O-CD2 3.28Å; E225-H229 PolarHBondContact O-N 3.37Å; E225-H229 IonicContact OE2-NE2 3.99Å; H229-A232 PolarHBondContact O-N 3.43Å; H229-V233 WeakPolarHBondContact O-CG2 3.2Å; H229-V233 PolarHBondContact O-N 3.32Å; H229-V233 VanDerWaalsContact O-N 3.12Å; H229-Y385 AromaticContact CE1-CE2 3.76Å; H229-Y385 AromaticContact CG-CE2 3.94Å; H229-Y385 AromaticContact ND1-CD2 3.93Å; H229-Y385 AromaticContact ND1-CE2 3.7Å; H229-Q389 PolarHBondContact CE1-O 3.04Å; H229-Q389 VanDerWaalsContact CE1-O 3.25Å; H229-T394 PolarHBondContact CE1-OG1 2.92Å; H229-T394 VanDerWaalsContact CE1-OG1 3.26Å; H229-T394 PolarHBondContact ND1-OG1 2.77Å
230V98.6Very high97.8Very high0 Ų035.2 Ų35.20%021%0.208CC..Hα-helixtrans-65.8-41.2176.8173.70000111.2L218 A226 A232 V233 I234 V241 I257 Y261L218-V230 HydrophobicContact CD2-CG2 3.8Å; A226-V230 WeakPolarHBondContact O-CB 3.07Å; A226-V230 WeakPolarHBondContact O-CG2 3.22Å; A226-V230 PolarHBondContact O-N 3.25Å; V230-A232 PolarHBondContact O-N 2.9Å; V230-V233 PolarHBondContact O-N 3Å; V230-I234 HydrophobicContact CG1-CD1 3.64Å; V230-I234 HydrophobicContact CG1-CG1 4.21Å; V230-I234 WeakPolarHBondContact O-CG1 3.46Å; V230-I234 PolarHBondContact O-N 2.48Å; V230-V241 HydrophobicContact CG1-CG1 4.36Å; V230-V241 HydrophobicContact CG1-CG2 4.36Å; V230-V241 HydrophobicContact CG2-CG1 3.97Å; V230-I257 HydrophobicContact CB-CG1 4.42Å; V230-I257 HydrophobicContact CB-CG2 4.39Å; V230-I257 HydrophobicContact CG1-CG2 3.83Å; V230-I257 HydrophobicContact CG2-CD1 3.59Å; V230-I257 HydrophobicContact CG2-CG1 4.01Å; V230-I257 HydrophobicContact CG2-CG2 4.22Å; V230-Y261 HydrophobicContact CB-CD2 4.42Å; V230-Y261 HydrophobicContact CB-CE2 4.28Å; V230-Y261 HydrophobicContact CG1-CD2 3.76Å; V230-Y261 HydrophobicContact CG1-CE2 4.04Å; V230-Y261 HydrophobicContact CG1-CG 4.3Å
231G98.5Very high97.9Very high5 Ų534.3 Ų34.35%0.05220%0.199CC..Hα-helixtrans-55.6-48.8173.300000112.1L227 V233 I234 D235 Y261L227-G231 PolarHBondContact O-N 3.16Å; G231-V233 VanDerWaalsContact C-N 3.29Å; G231-V233 PolarHBondContact O-N 2.86Å; G231-I234 PolarHBondContact O-N 2.74Å; G231-D235 WeakPolarHBondContact O-CB 3.47Å; G231-D235 VanDerWaalsContact O-CG 3.24Å; G231-D235 PolarHBondContact O-N 3.48Å; G231-Y261 VanDerWaalsContact CA-OH 3.27Å; G231-Y261 WeakPolarHBondContact CA-OH 3.24Å
232A98.6Very high97.8Very high13 Ų1334.4 Ų34.411%0.10720%0.2CC..Hα-helixtrans-60.2-35.4177.800000113.9A228 H229 V230 A236 V391 A395A228-A232 PolarHBondContact O-N 3.26Å; H229-A232 PolarHBondContact O-N 3.43Å; V230-A232 PolarHBondContact O-N 2.9Å; A232-A236 PolarHBondContact O-N 2.96Å; A232-V391 HydrophobicContact CB-CG1 3.73Å; A232-A395 HydrophobicContact CB-CB 4.08Å
233V98.5Very high97.8Very high0 Ų029.3 Ų29.30%018%0.178CC..Hα-helixtrans-71.6-44.51771660000111A216 H229 V230 G231 A236 G237 F238 V241 T394 A398A216-V233 HydrophobicContact CB-CG1 3.49Å; A216-V233 VanDerWaalsContact CB-CG1 3.49Å; H229-V233 WeakPolarHBondContact O-CG2 3.2Å; H229-V233 PolarHBondContact O-N 3.32Å; H229-V233 VanDerWaalsContact O-N 3.12Å; V230-V233 PolarHBondContact O-N 3Å; G231-V233 VanDerWaalsContact C-N 3.29Å; G231-V233 PolarHBondContact O-N 2.86Å; V233-A236 WeakPolarHBondContact O-CB 3.35Å; V233-A236 PolarHBondContact O-N 3.17Å; V233-G237 PolarHBondContact O-N 3.43Å; V233-F238 HydrophobicContact CG1-CB 3.46Å; V233-F238 VanDerWaalsContact CG1-CB 3.46Å; V233-F238 HydrophobicContact CG1-CD1 4.03Å; V233-F238 HydrophobicContact CG1-CD2 3.87Å; V233-F238 HydrophobicContact CG1-CG 3.53Å; V233-F238 WeakPolarHBondContact O-CB 3.2Å; V233-F238 WeakPolarHBondContact O-CD2 3.41Å; V233-F238 PolarHBondContact O-N 3.32Å; V233-V241 HydrophobicContact CG1-CG2 4.23Å; V233-T394 HydrophobicContact CG2-CG2 3.72Å; V233-A398 HydrophobicContact CG2-CB 4.42Å
234I97.9Very high97.9Very high23 Ų2327.7 Ų27.712%0.11817%0.167CC..Hα-helixtrans-65.8-43.2177.6-69.1173.9000111.1V230 G231 A236 G237 V241 Y261 A265V230-I234 HydrophobicContact CG1-CD1 3.64Å; V230-I234 HydrophobicContact CG1-CG1 4.21Å; V230-I234 WeakPolarHBondContact O-CG1 3.46Å; V230-I234 PolarHBondContact O-N 2.48Å; G231-I234 PolarHBondContact O-N 2.74Å; I234-A236 PolarHBondContact O-N 3.12Å; I234-G237 WeakPolarHBondContact O-CA 3.43Å; I234-G237 PolarHBondContact O-N 3.41Å; I234-V241 HydrophobicContact CG1-CG2 4.49Å; I234-Y261 HydrophobicContact CD1-CD1 3.54Å; I234-Y261 HydrophobicContact CD1-CD2 4.25Å; I234-Y261 HydrophobicContact CD1-CE1 4.29Å; I234-Y261 HydrophobicContact CD1-CG 3.52Å; I234-A265 HydrophobicContact CD1-CB 3.9Å; I234-A265 HydrophobicContact CG1-CB 4.2Å
235D98.1Very high97.9Very high142 Ų14221.9 Ų21.976%0.75914%0.136SC*.Hα-helixtrans-61-30.6177.2-74-16.1000112.2G231 G237G231-D235 WeakPolarHBondContact O-CB 3.47Å; G231-D235 VanDerWaalsContact O-CG 3.24Å; G231-D235 PolarHBondContact O-N 3.48Å; D235-G237 PolarHBondContact O-N 2.85Å
236A98Very high97.8Very high25 Ų2524.7 Ų24.721%0.20715%0.152CC..Hα-helixtrans-72.2-17.6173.300000113.2A232 V233 I234 A398 V402A232-A236 PolarHBondContact O-N 2.96Å; V233-A236 WeakPolarHBondContact O-CB 3.35Å; V233-A236 PolarHBondContact O-N 3.17Å; I234-A236 PolarHBondContact O-N 3.12Å; A236-A398 HydrophobicContact CB-CB 3.52Å; A236-V402 HydrophobicContact CB-CG2 4.45Å; A236-V402 VanDerWaalsContact O-CG2 3.29Å; A236-V402 WeakPolarHBondContact O-CG2 3.4Å
237G95.9Very high97.8Very high33 Ų3324.9 Ų24.934%0.3415%0.154SC..THydrogen-bonded Turntrans1187.6174.900000115.4L212 V233 I234 D235L212-G237 WeakPolarHBondContact CD2-O 3.34Å; V233-G237 PolarHBondContact O-N 3.43Å; I234-G237 WeakPolarHBondContact O-CA 3.43Å; I234-G237 PolarHBondContact O-N 3.41Å; D235-G237 PolarHBondContact O-N 2.85Å
238F97.1Very high97.8Very high3 Ų324.2 Ų24.21%0.01315%0.154CC..  trans-72.6141.8173.3-77-109.9000111.3L212 L214 A216 V233 L380 L384 A398 F401 V402L212-F238 HydrophobicContact CD2-CD1 4.49Å; L212-F238 HydrophobicContact CD2-CD2 4.11Å; L212-F238 HydrophobicContact CD2-CE2 4.38Å; L212-F238 HydrophobicContact CD2-CG 4.16Å; L214-F238 HydrophobicContact CB-CD1 3.98Å; L214-F238 HydrophobicContact CB-CE1 3.41Å; L214-F238 VanDerWaalsContact CB-CE1 3.41Å; L214-F238 HydrophobicContact CB-CZ 3.98Å; L214-F238 HydrophobicContact CD1-CE1 4.31Å; L214-F238 HydrophobicContact CD1-CZ 4.02Å; L214-F238 VanDerWaalsContact O-CD1 3.28Å; L214-F238 WeakPolarHBondContact O-CD1 3.34Å; A216-F238 HydrophobicContact CB-CD1 3.82Å; A216-F238 HydrophobicContact CB-CE1 4.06Å; V233-F238 HydrophobicContact CG1-CB 3.46Å; V233-F238 VanDerWaalsContact CG1-CB 3.46Å; V233-F238 HydrophobicContact CG1-CD1 4.03Å; V233-F238 HydrophobicContact CG1-CD2 3.87Å; V233-F238 HydrophobicContact CG1-CG 3.53Å; V233-F238 WeakPolarHBondContact O-CB 3.2Å; V233-F238 WeakPolarHBondContact O-CD2 3.41Å; V233-F238 PolarHBondContact O-N 3.32Å; F238-L380 HydrophobicContact CE1-CD1 3.76Å; F238-L380 HydrophobicContact CZ-CD1 3.63Å; F238-L384 HydrophobicContact CE1-CD2 4.42Å; F238-L384 HydrophobicContact CZ-CD1 4.47Å; F238-L384 HydrophobicContact CZ-CD2 4.43Å; F238-A398 HydrophobicContact CD2-CB 4.27Å; F238-A398 HydrophobicContact CE2-CB 3.86Å; F238-F401 HydrophobicContact CZ-CB 4.15Å; F238-V402 HydrophobicContact CD2-CG2 3.88Å; F238-V402 HydrophobicContact CE2-CG2 3.64Å
239D94.7Very high97.7Very high25 Ų2527 Ų2713%0.13416%0.158CC..  trans-130.216.717654.4-1.3000112.4T210 K211 L212 L266T210-D239 VanDerWaalsContact CB-CG 3.41Å; T210-D239 WeakPolarHBondContact CB-OD1 2.92Å; T210-D239 PolarHBondContact OG1-OD1 3.35Å; T210-D239 VanDerWaalsContact OG1-OD1 3.06Å; K211-D239 WeakPolarHBondContact CB-OD2 3.33Å; K211-D239 PolarHBondContact N-OD2 3.4Å; L212-D239 PolarHBondContact N-OD1 2.93Å; L212-D239 VanDerWaalsContact O-OD1 3.14Å; D239-L266 WeakPolarHBondContact O-CB 3.09Å; D239-L266 PolarHBondContact O-N 3.27Å
240A96.3Very high97.7Very high0 Ų028.4 Ų28.40%016%0.164CC..EExtended strand (participates in β ladder)trans-137.3124167.600000111.1W208 T210 I215 A216W208-A240 HydrophobicContact CZ2-CB 4.11Å; T210-A240 HydrophobicContact CG2-CB 4.12Å; I215-A240 HydrophobicContact CB-CB 4.47Å; I215-A240 HydrophobicContact CG1-CB 4.09Å; A216-A240 PolarHBondContact N-O 2.98Å
241V98.3Very high97.6Very high1 Ų133 Ų331%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-136.9133.8-177.2-176.80000110.1A216 L218 V230 V233 I234 L266 I267 G268A216-V241 HydrophobicContact CB-CG2 4.32Å; L218-V241 HydrophobicContact CD1-CG1 3.76Å; V230-V241 HydrophobicContact CG1-CG1 4.36Å; V230-V241 HydrophobicContact CG1-CG2 4.36Å; V230-V241 HydrophobicContact CG2-CG1 3.97Å; V233-V241 HydrophobicContact CG1-CG2 4.23Å; I234-V241 HydrophobicContact CG1-CG2 4.49Å; V241-L266 PolarHBondContact N-O 2.86Å; V241-I267 HydrophobicContact CB-CD1 3.99Å; V241-I267 HydrophobicContact CG2-CD1 4.34Å; V241-G268 PolarHBondContact O-N 3.25Å
242E98Very high97.6Very high1 Ų138.2 Ų38.21%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-122143.6170.469.4158.6-157.100113.7I215 A216 I217 L218 G268 G270 V290I215-E242 HydrophobicContact CG2-CG 4.19Å; A216-E242 PolarHBondContact O-N 3.49Å; I217-E242 HydrophobicContact CB-CG 4.03Å; I217-E242 WeakPolarHBondContact CD1-OE1 3.41Å; I217-E242 HydrophobicContact CG1-CG 3.73Å; I217-E242 VanDerWaalsContact CG1-OE1 3.25Å; I217-E242 WeakPolarHBondContact CG1-OE1 3.32Å; I217-E242 HydrophobicContact CG2-CG 4.06Å; I217-E242 WeakPolarHBondContact CG2-OE1 3.08Å; L218-E242 PolarHBondContact N-O 3.33Å; L218-E242 VanDerWaalsContact N-O 3.09Å; E242-G268 WeakPolarHBondContact CA-O 3.39Å; E242-G270 WeakPolarHBondContact OE2-CA 3.35Å; E242-G270 PolarHBondContact OE2-N 2.92Å; E242-V290 WeakPolarHBondContact OE2-CB 3.39Å; E242-V290 WeakPolarHBondContact OE2-CG1 3.14Å; E242-V290 WeakPolarHBondContact OE2-CG2 3.49Å
243I98.5Very high97.6Very high4 Ų437.6 Ų37.62%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-106.3114.9162.1-67.1-170.4000109.2I221 L245 W250 I254 I257 G268 A269 G270I221-I243 HydrophobicContact CG2-CD1 3.6Å; I221-I243 HydrophobicContact CG2-CG1 3.94Å; I221-I243 HydrophobicContact CG2-CG2 4.11Å; I243-L245 PolarHBondContact O-N 3.48Å; I243-W250 HydrophobicContact CG2-CB 4.12Å; I243-I254 HydrophobicContact CB-CD1 4.27Å; I243-I254 HydrophobicContact CB-CG1 3.95Å; I243-I254 HydrophobicContact CD1-CG1 4.4Å; I243-I254 HydrophobicContact CG2-CG1 4.36Å; I243-I257 HydrophobicContact CD1-CD1 3.25Å; I243-I257 HydrophobicContact CG1-CD1 4.2Å; I243-G268 PolarHBondContact N-O 2.95Å; I243-G268 VanDerWaalsContact N-O 3.08Å; I243-A269 VanDerWaalsContact O-CA 3.28Å; I243-A269 WeakPolarHBondContact O-CA 3.42Å; I243-G270 PolarHBondContact O-N 3.5Å
244P98.4Very high97.6Very high0 Ų037.6 Ų37.60%020%0.203CC..EExtended strand (participates in β ladder)trans-59.7136.5172.1-30.739.4000113.3I217 R219 N246 S247 G270I217-P244 HydrophobicContact CG2-CG 3.67Å; R219-P244 HydrophobicContact CB-CB 4.43Å; R219-P244 HydrophobicContact CB-CG 3.84Å; R219-P244 HydrophobicContact CG-CB 4.11Å; R219-P244 HydrophobicContact CG-CG 4.05Å; P244-N246 VanDerWaalsContact CB-OD1 3.24Å; P244-N246 WeakPolarHBondContact CB-OD1 3.44Å; P244-N246 PolarHBondContact O-N 3.43Å; P244-N246 VanDerWaalsContact O-N 3.08Å; P244-S247 WeakPolarHBondContact O-CB 2.98Å; P244-S247 PolarHBondContact O-N 3.39Å; P244-S247 PolarHBondContact O-OG 3.38Å; P244-G270 CarbonylContact C-O 3.47Å; P244-G270 WeakPolarHBondContact CA-O 3.31Å
245L98.4Very high97.5Very high18 Ų1838.1 Ų38.19%0.09421%0.208CC..THydrogen-bonded Turntrans-67.7-7.3179.9-59.7-169.9000114.3I243 S247 W250 I254 A269 G270 V272 Q277 L281I243-L245 PolarHBondContact O-N 3.48Å; L245-S247 VanDerWaalsContact C-N 3.28Å; L245-W250 HydrophobicContact CD2-CD2 3.55Å; L245-W250 HydrophobicContact CD2-CE3 3.65Å; L245-W250 HydrophobicContact CD2-CG 3.93Å; L245-W250 HydrophobicContact CD2-CH2 4.45Å; L245-W250 HydrophobicContact CD2-CZ2 4.38Å; L245-W250 HydrophobicContact CD2-CZ3 4.1Å; L245-W250 PolarHBondContact O-NE1 3.18Å; L245-I254 HydrophobicContact CD2-CD1 4.25Å; L245-A269 HydrophobicContact CD2-CB 3.8Å; L245-A269 HydrophobicContact CG-CB 4.33Å; L245-G270 WeakPolarHBondContact CG-O 3.37Å; L245-G270 PolarHBondContact N-O 3.03Å; L245-V272 HydrophobicContact CD1-CB 4.34Å; L245-V272 HydrophobicContact CD1-CG1 4.37Å; L245-V272 HydrophobicContact CD1-CG2 3.98Å; L245-V272 HydrophobicContact CG-CG2 4.26Å; L245-Q277 HydrophobicContact CD1-CB 3.89Å; L245-Q277 HydrophobicContact CD1-CG 4.03Å; L245-L281 HydrophobicContact CD1-CD1 4.41Å; L245-L281 HydrophobicContact CD2-CD1 4.45Å; L245-L281 HydrophobicContact CD2-CD2 4.25Å
246N96.5Very high97.5Very high96 Ų9633.2 Ų33.251%0.51319%0.187SC..THydrogen-bonded Turntrans-91.313.2166.967.2-6.6000113R219 P244R219-N246 VanDerWaalsContact NH1-CG 3.28Å; R219-N246 PolarHBondContact NH1-ND2 2.89Å; R219-N246 PolarHBondContact NH1-OD1 3.01Å; P244-N246 VanDerWaalsContact CB-OD1 3.24Å; P244-N246 WeakPolarHBondContact CB-OD1 3.44Å; P244-N246 PolarHBondContact O-N 3.43Å; P244-N246 VanDerWaalsContact O-N 3.08Å
247S97.9Very high97.6Very high6 Ų632 Ų324%0.04218%0.177CC..SBendtrans-83.3150.7167-490000110.3G220 P244 L245 Q249G220-S247 PolarHBondContact N-OG 3.19Å; P244-S247 WeakPolarHBondContact O-CB 2.98Å; P244-S247 PolarHBondContact O-N 3.39Å; P244-S247 PolarHBondContact O-OG 3.38Å; L245-S247 VanDerWaalsContact C-N 3.28Å; S247-Q249 PolarHBondContact O-N 3.42Å
248P97.7Very high97.6Very high61 Ų6131.5 Ų31.540%0.39617%0.167SC..THydrogen-bonded Turntrans-61.4130.4178.5-20.531.8000112.1K222 W250K222-P248 HydrophobicContact CG-CG 4.47Å; P248-W250 VanDerWaalsContact C-N 3.26Å; P248-W250 PolarHBondContact O-N 3.15Å
249Q97.7Very high97.7Very high107 Ų10738.2 Ų38.250%0.520%0.203SC..THydrogen-bonded Turntrans5242.3169.7-55.3174.917.900113.2P223 S247 E251 Q252 S253P223-Q249 HydrophobicContact CG-CB 3.68Å; S247-Q249 PolarHBondContact O-N 3.42Å; Q249-E251 PolarHBondContact O-N 3.44Å; Q249-E251 VanDerWaalsContact O-N 3.09Å; Q249-Q252 WeakPolarHBondContact O-CB 3.03Å; Q249-Q252 PolarHBondContact O-N 2.77Å; Q249-S253 PolarHBondContact O-N 2.89Å
250W97.5Very high97.8Very high34 Ų3438.9 Ų38.913%0.12921%0.212CC..Hα-helixtrans-56.9-25.517958.9-95.4000112.2I243 L245 P248 Q252 S253 I254 L281 M284I243-W250 HydrophobicContact CG2-CB 4.12Å; L245-W250 HydrophobicContact CD2-CD2 3.55Å; L245-W250 HydrophobicContact CD2-CE3 3.65Å; L245-W250 HydrophobicContact CD2-CG 3.93Å; L245-W250 HydrophobicContact CD2-CH2 4.45Å; L245-W250 HydrophobicContact CD2-CZ2 4.38Å; L245-W250 HydrophobicContact CD2-CZ3 4.1Å; L245-W250 PolarHBondContact O-NE1 3.18Å; P248-W250 VanDerWaalsContact C-N 3.26Å; P248-W250 PolarHBondContact O-N 3.15Å; W250-Q252 PolarHBondContact O-N 3.25Å; W250-S253 PolarHBondContact O-N 2.64Å; W250-I254 HydrophobicContact CB-CD1 4.4Å; W250-I254 HydrophobicContact CE3-CD1 4.11Å; W250-I254 WeakPolarHBondContact O-CB 3.14Å; W250-I254 PolarHBondContact O-N 3.39Å; W250-L281 HydrophobicContact CE3-CD2 4.49Å; W250-L281 HydrophobicContact CZ3-CD2 4.2Å; W250-M284 HydrophobicContact CE3-SD 4.48Å; W250-M284 HydrophobicContact CZ3-CE 3.84Å; W250-M284 HydrophobicContact CZ3-SD 3.98Å
251E97.7Very high97.9Very high97 Ų9741 Ų4145%0.45322%0.22SC..Hα-helixtrans-61.9-20.7174.3-58.189158.100113.2Q249 P255 M284Q249-E251 PolarHBondContact O-N 3.44Å; Q249-E251 VanDerWaalsContact O-N 3.09Å; E251-P255 WeakPolarHBondContact O-CD 3.35Å; E251-P255 WeakPolarHBondContact O-CG 3.27Å; E251-M284 HydrophobicContact CB-CE 4.25Å; E251-M284 HydrophobicContact CG-CE 4.41Å
252Q98Very high97.5Very high114 Ų11442 Ų4253%0.53323%0.231SC..Hα-helixtrans-96.3-43.3173.3-64.917745.600111.4P223 Q249 W250 A256P223-Q252 HydrophobicContact CB-CB 4.03Å; P223-Q252 HydrophobicContact CG-CB 3.89Å; Q249-Q252 WeakPolarHBondContact O-CB 3.03Å; Q249-Q252 PolarHBondContact O-N 2.77Å; W250-Q252 PolarHBondContact O-N 3.25Å; Q252-A256 WeakPolarHBondContact O-CB 3.29Å; Q252-A256 PolarHBondContact O-N 3Å
253S98Very high97Very high0 Ų048.3 Ų48.30%027%0.265CS..Hα-helixtrans-66.2-45.1-175.8-51.10000112.7P223 Q249 W250 A256 I257P223-S253 WeakPolarHBondContact CA-OG 3.23Å; Q249-S253 PolarHBondContact O-N 2.89Å; W250-S253 PolarHBondContact O-N 2.64Å; S253-A256 PolarHBondContact O-N 3.06Å; S253-I257 WeakPolarHBondContact O-CD1 3.22Å; S253-I257 WeakPolarHBondContact O-CG1 3.47Å; S253-I257 PolarHBondContact O-N 3.25Å; S253-I257 VanDerWaalsContact O-N 3.07Å
254I98.4Very high96.6Very high0 Ų054.2 Ų54.20%029%0.291CS..Hα-helixtrans-63.7-54.2-173.6-73.3178.5000111.8I243 L245 W250 A256 I257 V258 A269 L281 M284 C286I243-I254 HydrophobicContact CB-CD1 4.27Å; I243-I254 HydrophobicContact CB-CG1 3.95Å; I243-I254 HydrophobicContact CD1-CG1 4.4Å; I243-I254 HydrophobicContact CG2-CG1 4.36Å; L245-I254 HydrophobicContact CD2-CD1 4.25Å; W250-I254 HydrophobicContact CB-CD1 4.4Å; W250-I254 HydrophobicContact CE3-CD1 4.11Å; W250-I254 WeakPolarHBondContact O-CB 3.14Å; W250-I254 PolarHBondContact O-N 3.39Å; I254-A256 VanDerWaalsContact C-N 3.29Å; I254-A256 PolarHBondContact O-N 3.2Å; I254-I257 PolarHBondContact O-N 3.32Å; I254-I257 VanDerWaalsContact O-N 3.13Å; I254-V258 HydrophobicContact CG2-CG2 4.24Å; I254-V258 WeakPolarHBondContact O-CG2 3.24Å; I254-V258 PolarHBondContact O-N 3.31Å; I254-A269 HydrophobicContact CD1-CB 3.83Å; I254-L281 HydrophobicContact CD1-CD2 3.65Å; I254-L281 HydrophobicContact CG2-CD2 4.42Å; I254-M284 HydrophobicContact CG2-CB 4.26Å; I254-M284 HydrophobicContact CG2-SD 4.32Å; I254-C286 WeakPolarHBondContact CG2-SG 3.22Å
255P97.7Very high96.2Very high34 Ų3454.5 Ų54.522%0.22129%0.293CS..Hα-helixtrans-57.8-41.5178.5-2534.3000112.7E251 I257 V258 D259 M284E251-P255 WeakPolarHBondContact O-CD 3.35Å; E251-P255 WeakPolarHBondContact O-CG 3.27Å; P255-I257 VanDerWaalsContact C-N 3.3Å; P255-I257 PolarHBondContact O-N 2.83Å; P255-V258 PolarHBondContact O-N 3.47Å; P255-D259 WeakPolarHBondContact O-CB 3.36Å; P255-D259 PolarHBondContact O-N 3.13Å; P255-M284 HydrophobicContact CG-CB 4.13Å; P255-M284 HydrophobicContact CG-CG 3.86Å; P255-M284 HydrophobicContact CG-SD 4.01Å
256A98.1Very high95.9Very high38 Ų3854.3 Ų54.331%0.31429%0.292SS..Hα-helixtrans-60.4-39.8178.400000112.3L227 Q252 S253 I254 A260L227-A256 WeakPolarHBondContact CD2-O 3.5Å; Q252-A256 WeakPolarHBondContact O-CB 3.29Å; Q252-A256 PolarHBondContact O-N 3Å; S253-A256 PolarHBondContact O-N 3.06Å; I254-A256 VanDerWaalsContact C-N 3.29Å; I254-A256 PolarHBondContact O-N 3.2Å; A256-A260 WeakPolarHBondContact O-CB 3.31Å; A256-A260 PolarHBondContact O-N 3.12Å
257I98.2Very high95.9Very high1 Ų150 Ų501%0.00527%0.269CS..Hα-helixtrans-73.1-40.6177.2-70159.8000111.5A226 L227 V230 I243 S253 I254 P255 D259 A260 Y261 I267A226-I257 HydrophobicContact CB-CD1 3.87Å; A226-I257 HydrophobicContact CB-CG1 4.3Å; L227-I257 HydrophobicContact CD2-CG1 4.26Å; V230-I257 HydrophobicContact CB-CG1 4.42Å; V230-I257 HydrophobicContact CB-CG2 4.39Å; V230-I257 HydrophobicContact CG1-CG2 3.83Å; V230-I257 HydrophobicContact CG2-CD1 3.59Å; V230-I257 HydrophobicContact CG2-CG1 4.01Å; V230-I257 HydrophobicContact CG2-CG2 4.22Å; I243-I257 HydrophobicContact CD1-CD1 3.25Å; I243-I257 HydrophobicContact CG1-CD1 4.2Å; S253-I257 WeakPolarHBondContact O-CD1 3.22Å; S253-I257 WeakPolarHBondContact O-CG1 3.47Å; S253-I257 PolarHBondContact O-N 3.25Å; S253-I257 VanDerWaalsContact O-N 3.07Å; I254-I257 PolarHBondContact O-N 3.32Å; I254-I257 VanDerWaalsContact O-N 3.13Å; P255-I257 VanDerWaalsContact C-N 3.3Å; P255-I257 PolarHBondContact O-N 2.83Å; I257-D259 VanDerWaalsContact C-N 3.32Å; I257-D259 PolarHBondContact O-N 2.85Å; I257-A260 PolarHBondContact O-N 3.01Å; I257-Y261 HydrophobicContact CG2-CD2 4.19Å; I257-Y261 WeakPolarHBondContact O-CB 3.37Å; I257-Y261 PolarHBondContact O-N 3.26Å; I257-I267 HydrophobicContact CB-CG2 4.35Å; I257-I267 HydrophobicContact CG2-CB 4.48Å; I257-I267 HydrophobicContact CG2-CD1 3.71Å; I257-I267 HydrophobicContact CG2-CG1 3.96Å; I257-I267 HydrophobicContact CG2-CG2 3.67Å
258V97.5Very high95.9Very high22 Ų2249.7 Ų49.713%0.13327%0.267CS..Hα-helixtrans-58.7-47175.11710000110.1I254 P255 A260 G262 I267 M284I254-V258 HydrophobicContact CG2-CG2 4.24Å; I254-V258 WeakPolarHBondContact O-CG2 3.24Å; I254-V258 PolarHBondContact O-N 3.31Å; P255-V258 PolarHBondContact O-N 3.47Å; V258-A260 VanDerWaalsContact C-N 3.3Å; V258-A260 PolarHBondContact O-N 3.44Å; V258-G262 WeakPolarHBondContact O-CA 3.23Å; V258-G262 PolarHBondContact O-N 3.47Å; V258-I267 HydrophobicContact CG2-CB 4.02Å; V258-I267 HydrophobicContact CG2-CG2 3.66Å; V258-M284 WeakPolarHBondContact CG1-O 3.47Å
259D97.6Very high95.9Very high143 Ų14346.8 Ų46.877%0.76525%0.248SC*.Hα-helixtrans-62.2-36.6178.8-74.4-12.2000112.4P255 I257P255-D259 WeakPolarHBondContact O-CB 3.36Å; P255-D259 PolarHBondContact O-N 3.13Å; I257-D259 VanDerWaalsContact C-N 3.32Å; I257-D259 PolarHBondContact O-N 2.85Å
260A97.9Very high95.9Very high40 Ų4041.7 Ų41.733%0.33122%0.224SC..Hα-helixtrans-84.8-29.7-176.500000114.4L227 A256 I257 V258L227-A260 HydrophobicContact CD2-CB 3.61Å; A256-A260 WeakPolarHBondContact O-CB 3.31Å; A256-A260 PolarHBondContact O-N 3.12Å; I257-A260 PolarHBondContact O-N 3.01Å; V258-A260 VanDerWaalsContact C-N 3.3Å; V258-A260 PolarHBondContact O-N 3.44Å
261Y97.1Very high95.9Very high43 Ų4341.1 Ų41.117%0.16923%0.225CC..Hα-helixtrans-1400.4-165.9-58.9-70.5000115.2L227 V230 G231 I234 I257 D263 K264 A265L227-Y261 HydrophobicContact CD2-CD2 4.43Å; L227-Y261 HydrophobicContact CD2-CE2 3.93Å; L227-Y261 PolarHBondContact O-OH 2.87Å; L227-Y261 VanDerWaalsContact O-OH 3.09Å; V230-Y261 HydrophobicContact CB-CD2 4.42Å; V230-Y261 HydrophobicContact CB-CE2 4.28Å; V230-Y261 HydrophobicContact CG1-CD2 3.76Å; V230-Y261 HydrophobicContact CG1-CE2 4.04Å; V230-Y261 HydrophobicContact CG1-CG 4.3Å; G231-Y261 VanDerWaalsContact CA-OH 3.27Å; G231-Y261 WeakPolarHBondContact CA-OH 3.24Å; I234-Y261 HydrophobicContact CD1-CD1 3.54Å; I234-Y261 HydrophobicContact CD1-CD2 4.25Å; I234-Y261 HydrophobicContact CD1-CE1 4.29Å; I234-Y261 HydrophobicContact CD1-CG 3.52Å; I257-Y261 HydrophobicContact CG2-CD2 4.19Å; I257-Y261 WeakPolarHBondContact O-CB 3.37Å; I257-Y261 PolarHBondContact O-N 3.26Å; Y261-D263 PolarHBondContact O-N 3.45Å; Y261-D263 VanDerWaalsContact O-N 3.15Å; Y261-K264 HydrophobicContact CD1-CD 4.35Å; Y261-K264 PolarHBondContact O-N 3.17Å; Y261-A265 PolarHBondContact O-N 3.28Å
262G90.2Very high96Very high23 Ų2336.5 Ų36.524%0.23720%0.203CC..THydrogen-bonded Turntrans-65.4-14-178.200000114.9V258V258-G262 WeakPolarHBondContact O-CA 3.23Å; V258-G262 PolarHBondContact O-N 3.47Å
263D89Confident96Very high133 Ų13334.7 Ų34.771%0.71120%0.197SC*.THydrogen-bonded Turntrans-85.7-15.2170.966.9-33.8000113.3Y261Y261-D263 PolarHBondContact O-N 3.45Å; Y261-D263 VanDerWaalsContact O-N 3.15Å
264K89Confident96Very high129 Ų12940 Ų4056%0.56122%0.22SC*.THydrogen-bonded Turntrans-109.7-29.6-175.3-68.9171.2-173.6173.50113.7Y261Y261-K264 HydrophobicContact CD1-CD 4.35Å; Y261-K264 PolarHBondContact O-N 3.17Å
265A91.1Very high95.9Very high6 Ų641 Ų415%0.0523%0.226CC..SBendtrans-144151.5-173.500000111.5I234 Y261 I267I234-A265 HydrophobicContact CD1-CB 3.9Å; I234-A265 HydrophobicContact CG1-CB 4.2Å; Y261-A265 PolarHBondContact O-N 3.28Å; A265-I267 HydrophobicContact CB-CD1 3.87Å; A265-I267 PolarHBondContact O-N 3.21Å
266L91.1Very high95.9Very high13 Ų1344.5 Ų44.57%0.06824%0.239CC..EExtended strand (participates in β ladder)trans-71.696170.6-170.476.5000109.1W208 T210 D239 V241 Q287 L288 T308W208-L266 HydrophobicContact CH2-CD2 4.3Å; W208-L266 HydrophobicContact CZ2-CD2 4.42Å; T210-L266 HydrophobicContact CG2-CB 4.25Å; T210-L266 HydrophobicContact CG2-CD2 4.22Å; D239-L266 WeakPolarHBondContact O-CB 3.09Å; D239-L266 PolarHBondContact O-N 3.27Å; V241-L266 PolarHBondContact N-O 2.86Å; L266-Q287 HydrophobicContact CD1-CB 3.42Å; L266-Q287 VanDerWaalsContact CD1-CB 3.42Å; L266-Q287 HydrophobicContact CG-CB 4.32Å; L266-L288 HydrophobicContact CD2-CB 3.78Å; L266-L288 HydrophobicContact CD2-CD1 4.13Å; L266-L288 HydrophobicContact CD2-CD2 4.26Å; L266-L288 HydrophobicContact CD2-CG 4.28Å; L266-L288 HydrophobicContact CG-CB 3.78Å; L266-T308 HydrophobicContact CD2-CG2 4.42Å
267I96.6Very high95.9Very high6 Ų644.7 Ų44.73%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-89.1130.4-179.4-53.7-53000110.4V241 I257 V258 A265 Q287 L288V241-I267 HydrophobicContact CB-CD1 3.99Å; V241-I267 HydrophobicContact CG2-CD1 4.34Å; I257-I267 HydrophobicContact CB-CG2 4.35Å; I257-I267 HydrophobicContact CG2-CB 4.48Å; I257-I267 HydrophobicContact CG2-CD1 3.71Å; I257-I267 HydrophobicContact CG2-CG1 3.96Å; I257-I267 HydrophobicContact CG2-CG2 3.67Å; V258-I267 HydrophobicContact CG2-CB 4.02Å; V258-I267 HydrophobicContact CG2-CG2 3.66Å; A265-I267 HydrophobicContact CB-CD1 3.87Å; A265-I267 PolarHBondContact O-N 3.21Å; I267-Q287 PolarHBondContact O-N 3.19Å; I267-L288 PolarHBondContact O-N 3.19Å
268G97.2Very high95.9Very high0 Ų044.7 Ų44.70%023%0.234CC..EExtended strand (participates in β ladder)trans-145.8-173.1-174.600000115.8V241 E242 I243 L288V241-G268 PolarHBondContact O-N 3.25Å; E242-G268 WeakPolarHBondContact CA-O 3.39Å; I243-G268 PolarHBondContact N-O 2.95Å; I243-G268 VanDerWaalsContact N-O 3.08Å; G268-L288 CarbonylContact C-O 3.6Å; G268-L288 WeakPolarHBondContact CA-O 3.19Å
269A98.6Very high95.8Very high0 Ų045.2 Ų45.20%024%0.236CC..EExtended strand (participates in β ladder)trans-125.2143.6174.900000111.9I243 L245 I254 V272 L281 L288 V290I243-A269 VanDerWaalsContact O-CA 3.28Å; I243-A269 WeakPolarHBondContact O-CA 3.42Å; L245-A269 HydrophobicContact CD2-CB 3.8Å; L245-A269 HydrophobicContact CG-CB 4.33Å; I254-A269 HydrophobicContact CD1-CB 3.83Å; A269-V272 HydrophobicContact CB-CG2 3.88Å; A269-L281 HydrophobicContact CB-CD1 3.52Å; A269-L281 HydrophobicContact CB-CD2 3.6Å; A269-L281 HydrophobicContact CB-CG 4.2Å; A269-L288 PolarHBondContact N-O 2.99Å; A269-V290 PolarHBondContact O-N 2.84Å
270G98Very high95.8Very high0 Ų039.2 Ų39.20%021%0.206CC..EExtended strand (participates in β ladder)trans-105.1164.8174.400000112.3E242 I243 P244 L245 V272 V290E242-G270 WeakPolarHBondContact OE2-CA 3.35Å; E242-G270 PolarHBondContact OE2-N 2.92Å; I243-G270 PolarHBondContact O-N 3.5Å; P244-G270 CarbonylContact C-O 3.47Å; P244-G270 WeakPolarHBondContact CA-O 3.31Å; L245-G270 WeakPolarHBondContact CG-O 3.37Å; L245-G270 PolarHBondContact N-O 3.03Å; G270-V272 PolarHBondContact O-N 2.67Å; G270-V290 CarbonylContact C-O 3.54Å; G270-V290 WeakPolarHBondContact CA-O 3.24Å
271T97.7Very high95.8Very high22 Ų2237.3 Ų37.314%0.13519%0.191CC..SBendtrans58.535.2177.5-41.70000111.9R219 V290 P292R219-T271 PolarHBondContact NH1-OG1 3.49Å; T271-V290 PolarHBondContact N-O 3.25Å; T271-P292 HydrophobicContact CG2-CG 4.48Å
272V98.5Very high95.4Very high0 Ų036.6 Ų36.60%019%0.193CC..  trans-78.9121.6173.6-170.50000108.4L245 A269 G270 Q277 V278 L281 I289 V290 T291 V298L245-V272 HydrophobicContact CD1-CB 4.34Å; L245-V272 HydrophobicContact CD1-CG1 4.37Å; L245-V272 HydrophobicContact CD1-CG2 3.98Å; L245-V272 HydrophobicContact CG-CG2 4.26Å; A269-V272 HydrophobicContact CB-CG2 3.88Å; G270-V272 PolarHBondContact O-N 2.67Å; V272-Q277 HydrophobicContact CG1-CB 3.93Å; V272-V278 HydrophobicContact CG1-CG2 3.93Å; V272-L281 HydrophobicContact CG1-CD1 4.25Å; V272-L281 HydrophobicContact CG2-CD1 3.76Å; V272-I289 HydrophobicContact CB-CG2 4.03Å; V272-I289 HydrophobicContact CG1-CG2 4.33Å; V272-I289 HydrophobicContact CG2-CD1 4.15Å; V272-I289 HydrophobicContact CG2-CG2 4.05Å; V272-V290 PolarHBondContact N-O 3.37Å; V272-T291 HydrophobicContact CB-CG2 4.45Å; V272-T291 VanDerWaalsContact O-CG2 3.24Å; V272-T291 WeakPolarHBondContact O-CG2 3.11Å; V272-V298 HydrophobicContact CG1-CG1 4.09Å
273L98.1Very high95.6Very high76 Ų7645.1 Ų45.140%0.39822%0.218SC..  trans-120.6-18.6-169.7-62.2179.7000113.3P292 N293L273-P292 HydrophobicContact CD2-CG 3.64Å; L273-N293 VanDerWaalsContact CD2-OD1 3.31Å; L273-N293 WeakPolarHBondContact CD2-OD1 3.35Å
274K98.2Very high96Very high111 Ų11140.9 Ų40.948%0.48320%0.195SC..SBendtrans-132.3144.5-173.2-48.1-171.6-175.51780112.6E276 Q277K274-E276 VanDerWaalsContact C-N 3.28Å; K274-E276 VanDerWaalsContact CB-CD 3.43Å; K274-E276 HydrophobicContact CB-CG 4.25Å; K274-E276 WeakPolarHBondContact CB-OE1 3.47Å; K274-E276 WeakPolarHBondContact CB-OE2 3.37Å; K274-E276 WeakPolarHBondContact CD-OE1 3.36Å; K274-E276 PolarHBondContact O-N 2.89Å; K274-Q277 HydrophobicContact CB-CG 4.23Å; K274-Q277 WeakPolarHBondContact O-CB 3.19Å; K274-Q277 PolarHBondContact O-N 3.48Å
275P96.9Very high96Very high21 Ų2136.4 Ų36.414%0.13619%0.185CC..Hα-helixtrans-57.1-37.8-179.9-25.635.9000113.5Q277 V278 D279 E297 V298P275-Q277 PolarHBondContact O-N 3.24Å; P275-V278 VanDerWaalsContact O-CB 3.27Å; P275-V278 WeakPolarHBondContact O-CB 3.48Å; P275-V278 PolarHBondContact O-N 3.14Å; P275-D279 PolarHBondContact O-N 3.44Å; P275-E297 HydrophobicContact CB-CG 4.15Å; P275-E297 HydrophobicContact CG-CB 4.16Å; P275-E297 HydrophobicContact CG-CG 3.53Å; P275-V298 HydrophobicContact CG-CG2 4.25Å
276E97.8Very high96Very high107 Ų10736.4 Ų36.450%0.519%0.185SC..Hα-helixtrans-65-23.9178.163.7-89.6-157.600113.7K274 A280K274-E276 VanDerWaalsContact C-N 3.28Å; K274-E276 VanDerWaalsContact CB-CD 3.43Å; K274-E276 HydrophobicContact CB-CG 4.25Å; K274-E276 WeakPolarHBondContact CB-OE1 3.47Å; K274-E276 WeakPolarHBondContact CB-OE2 3.37Å; K274-E276 WeakPolarHBondContact CD-OE1 3.36Å; K274-E276 PolarHBondContact O-N 2.89Å; E276-A280 PolarHBondContact O-N 2.87Å
277Q98.4Very high96Very high43 Ų4340.1 Ų40.120%0.20120%0.202CC..Hα-helixtrans-71.2-37.3172.6-64.7174.3-43.700110.4L245 V272 K274 P275 D279 A280 L281L245-Q277 HydrophobicContact CD1-CB 3.89Å; L245-Q277 HydrophobicContact CD1-CG 4.03Å; V272-Q277 HydrophobicContact CG1-CB 3.93Å; K274-Q277 HydrophobicContact CB-CG 4.23Å; K274-Q277 WeakPolarHBondContact O-CB 3.19Å; K274-Q277 PolarHBondContact O-N 3.48Å; P275-Q277 PolarHBondContact O-N 3.24Å; Q277-D279 VanDerWaalsContact C-N 3.33Å; Q277-D279 PolarHBondContact O-N 2.91Å; Q277-A280 PolarHBondContact O-N 3.41Å; Q277-L281 WeakPolarHBondContact O-CB 3.33Å; Q277-L281 WeakPolarHBondContact O-CD1 3.36Å; Q277-L281 WeakPolarHBondContact O-CG 3.37Å; Q277-L281 PolarHBondContact O-N 3.34Å
278V97.2Very high95.9Very high0 Ų039.9 Ų39.90%020%0.2CC..Hα-helixtrans-61.1-44.3173.9-176.40000110.5V272 P275 A280 L281 A282 V298 R301 A302 Y305 M307V272-V278 HydrophobicContact CG1-CG2 3.93Å; P275-V278 VanDerWaalsContact O-CB 3.27Å; P275-V278 WeakPolarHBondContact O-CB 3.48Å; P275-V278 PolarHBondContact O-N 3.14Å; V278-A280 VanDerWaalsContact C-N 3.28Å; V278-A280 PolarHBondContact O-N 3.06Å; V278-L281 PolarHBondContact O-N 3.41Å; V278-A282 WeakPolarHBondContact O-CB 3.31Å; V278-A282 PolarHBondContact O-N 3.14Å; V278-V298 HydrophobicContact CG2-CG1 3.81Å; V278-R301 HydrophobicContact CB-CG 4.22Å; V278-R301 HydrophobicContact CG1-CB 4.4Å; V278-R301 HydrophobicContact CG1-CG 4.04Å; V278-A302 HydrophobicContact CG1-CB 3.79Å; V278-A302 HydrophobicContact CG2-CB 4.47Å; V278-Y305 HydrophobicContact CG1-CD2 3.93Å; V278-Y305 HydrophobicContact CG1-CE2 4.32Å; V278-M307 HydrophobicContact CG1-SD 4.13Å
279D95.9Very high95.9Very high34 Ų3439.9 Ų39.918%0.18220%0.2CC..Hα-helixtrans-61.3-35.3177.4-64.1-44.9000112.5P275 Q277 R283 R301 Y305P275-D279 PolarHBondContact O-N 3.44Å; Q277-D279 VanDerWaalsContact C-N 3.33Å; Q277-D279 PolarHBondContact O-N 2.91Å; D279-R283 WeakPolarHBondContact O-CG 3.48Å; D279-R283 PolarHBondContact O-NE 2.91Å; D279-R283 VanDerWaalsContact O-NE 3.08Å; D279-R301 WeakPolarHBondContact OD1-CD 3.07Å; D279-R301 IonicContact OD1-NH1 3.89Å; D279-R301 IonicContact OD2-CZ 2.98Å; D279-R301 IonicContact OD2-NH1 2.68Å; D279-R301 PolarHBondContact OD2-NH1 3.08Å; D279-Y305 WeakPolarHBondContact OD1-CE2 3.47Å; D279-Y305 VanDerWaalsContact OD1-CZ 3.29Å; D279-Y305 PolarHBondContact OD1-OH 3.11Å
280A97.8Very high95.9Very high17 Ų1740 Ų4014%0.1420%0.201CC..Hα-helixtrans-69.2-47.1173.600000111.6E276 Q277 V278 A282 R283 M284E276-A280 PolarHBondContact O-N 2.87Å; Q277-A280 PolarHBondContact O-N 3.41Å; V278-A280 VanDerWaalsContact C-N 3.28Å; V278-A280 PolarHBondContact O-N 3.06Å; A280-A282 VanDerWaalsContact C-N 3.34Å; A280-A282 PolarHBondContact O-N 2.97Å; A280-R283 PolarHBondContact O-N 3.5Å; A280-M284 WeakPolarHBondContact O-CG 3.47Å; A280-M284 PolarHBondContact O-N 3.24Å
281L98.2Very high95.9Very high0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-64.5-36.6-178.8-69.3166.5000112.6L245 W250 I254 A269 V272 Q277 V278 R283 M284 G285 C286 I289 M307L245-L281 HydrophobicContact CD1-CD1 4.41Å; L245-L281 HydrophobicContact CD2-CD1 4.45Å; L245-L281 HydrophobicContact CD2-CD2 4.25Å; W250-L281 HydrophobicContact CE3-CD2 4.49Å; W250-L281 HydrophobicContact CZ3-CD2 4.2Å; I254-L281 HydrophobicContact CD1-CD2 3.65Å; I254-L281 HydrophobicContact CG2-CD2 4.42Å; A269-L281 HydrophobicContact CB-CD1 3.52Å; A269-L281 HydrophobicContact CB-CD2 3.6Å; A269-L281 HydrophobicContact CB-CG 4.2Å; V272-L281 HydrophobicContact CG1-CD1 4.25Å; V272-L281 HydrophobicContact CG2-CD1 3.76Å; Q277-L281 WeakPolarHBondContact O-CB 3.33Å; Q277-L281 WeakPolarHBondContact O-CD1 3.36Å; Q277-L281 WeakPolarHBondContact O-CG 3.37Å; Q277-L281 PolarHBondContact O-N 3.34Å; V278-L281 PolarHBondContact O-N 3.41Å; L281-R283 VanDerWaalsContact C-N 3.3Å; L281-R283 PolarHBondContact O-N 3.05Å; L281-M284 HydrophobicContact CD2-SD 4.39Å; L281-M284 CarbonylContact O-C 3.17Å; L281-M284 WeakPolarHBondContact O-CB 3.38Å; L281-M284 PolarHBondContact O-N 3.14Å; L281-G285 PolarHBondContact O-N 3.37Å; L281-C286 HydrophobicContact CB-CB 3.99Å; L281-C286 WeakPolarHBondContact O-CB 3.35Å; L281-C286 PolarHBondContact O-N 2.86Å; L281-C286 VanDerWaalsContact O-N 3.08Å; L281-I289 HydrophobicContact CB-CD1 4.3Å; L281-I289 HydrophobicContact CD1-CD1 3.58Å; L281-M307 HydrophobicContact CB-CE 4.46Å
282A88Confident95.8Very high27 Ų2741.1 Ų41.122%0.22321%0.209CC..Hα-helixtrans-59.7-42.7175.100000111.7V278 A280 M284 G285 Y305 M307V278-A282 WeakPolarHBondContact O-CB 3.31Å; V278-A282 PolarHBondContact O-N 3.14Å; A280-A282 VanDerWaalsContact C-N 3.34Å; A280-A282 PolarHBondContact O-N 2.97Å; A282-M284 PolarHBondContact O-N 2.96Å; A282-G285 PolarHBondContact O-N 2.58Å; A282-G285 VanDerWaalsContact O-N 3.12Å; A282-Y305 HydrophobicContact CB-CD1 3.75Å; A282-Y305 HydrophobicContact CB-CD2 3.88Å; A282-Y305 HydrophobicContact CB-CE1 4Å; A282-Y305 HydrophobicContact CB-CE2 4.11Å; A282-Y305 HydrophobicContact CB-CG 3.69Å; A282-M307 HydrophobicContact CB-CE 3.37Å; A282-M307 VanDerWaalsContact N-CE 3.26Å
283R94.9Very high95.8Very high202 Ų20244 Ų4476%0.76222%0.224SC*.Hα-helixtrans-68-24.3176.3-70.5-179.2-72.4157.3-3.6113.2D279 A280 L281 G285D279-R283 WeakPolarHBondContact O-CG 3.48Å; D279-R283 PolarHBondContact O-NE 2.91Å; D279-R283 VanDerWaalsContact O-NE 3.08Å; A280-R283 PolarHBondContact O-N 3.5Å; L281-R283 VanDerWaalsContact C-N 3.3Å; L281-R283 PolarHBondContact O-N 3.05Å; R283-G285 VanDerWaalsContact C-N 3.28Å
284M96.2Very high95.8Very high45 Ų4541.7 Ų41.722%0.22221%0.212CC..THydrogen-bonded Turntrans-84-2175.3-62.9173.5178.800112.8W250 E251 I254 P255 V258 A280 L281 A282W250-M284 HydrophobicContact CE3-SD 4.48Å; W250-M284 HydrophobicContact CZ3-CE 3.84Å; W250-M284 HydrophobicContact CZ3-SD 3.98Å; E251-M284 HydrophobicContact CB-CE 4.25Å; E251-M284 HydrophobicContact CG-CE 4.41Å; I254-M284 HydrophobicContact CG2-CB 4.26Å; I254-M284 HydrophobicContact CG2-SD 4.32Å; P255-M284 HydrophobicContact CG-CB 4.13Å; P255-M284 HydrophobicContact CG-CG 3.86Å; P255-M284 HydrophobicContact CG-SD 4.01Å; V258-M284 WeakPolarHBondContact CG1-O 3.47Å; A280-M284 WeakPolarHBondContact O-CG 3.47Å; A280-M284 PolarHBondContact O-N 3.24Å; L281-M284 HydrophobicContact CD2-SD 4.39Å; L281-M284 CarbonylContact O-C 3.17Å; L281-M284 WeakPolarHBondContact O-CB 3.38Å; L281-M284 PolarHBondContact O-N 3.14Å; A282-M284 PolarHBondContact O-N 2.96Å
285G89.7Confident95.8Very high34 Ų3440 Ų4035%0.35121%0.206SC..THydrogen-bonded Turntrans77.317.1-178.200000114.4L281 A282 R283L281-G285 PolarHBondContact O-N 3.37Å; A282-G285 PolarHBondContact O-N 2.58Å; A282-G285 VanDerWaalsContact O-N 3.12Å; R283-G285 VanDerWaalsContact C-N 3.28Å
286C91.9Very high95.6Very high7 Ų740.4 Ų40.45%0.04721%0.209CC..  trans-61.3143.4170.7-91.50000111.2I254 L281 M307I254-C286 WeakPolarHBondContact CG2-SG 3.22Å; L281-C286 HydrophobicContact CB-CB 3.99Å; L281-C286 WeakPolarHBondContact O-CB 3.35Å; L281-C286 PolarHBondContact O-N 2.86Å; L281-C286 VanDerWaalsContact O-N 3.08Å; C286-M307 HydrophobicContact CB-CE 4.49Å; C286-M307 WeakPolarHBondContact O-CE 3.22Å
287Q89.5Confident95.6Very high91 Ų9138.7 Ų38.743%0.42520%0.201SC..  trans-120.1-12.8-180-63.2179-26.800112.9L266 I267 M307 T308L266-Q287 HydrophobicContact CD1-CB 3.42Å; L266-Q287 VanDerWaalsContact CD1-CB 3.42Å; L266-Q287 HydrophobicContact CG-CB 4.32Å; I267-Q287 PolarHBondContact O-N 3.19Å; Q287-M307 WeakPolarHBondContact O-CA 3.49Å; Q287-T308 PolarHBondContact O-N 3.37Å
288L95.4Very high95.5Very high0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-122134177.9171.168000112W208 I215 L266 I267 G268 A269 V290 T308W208-L288 HydrophobicContact CH2-CD1 3.84Å; W208-L288 HydrophobicContact CZ3-CD1 4.44Å; I215-L288 HydrophobicContact CG2-CD2 4.02Å; L266-L288 HydrophobicContact CD2-CB 3.78Å; L266-L288 HydrophobicContact CD2-CD1 4.13Å; L266-L288 HydrophobicContact CD2-CD2 4.26Å; L266-L288 HydrophobicContact CD2-CG 4.28Å; L266-L288 HydrophobicContact CG-CB 3.78Å; I267-L288 PolarHBondContact O-N 3.19Å; G268-L288 CarbonylContact C-O 3.6Å; G268-L288 WeakPolarHBondContact CA-O 3.19Å; A269-L288 PolarHBondContact N-O 2.99Å; L288-V290 HydrophobicContact CD1-CG2 3.96Å; L288-V290 HydrophobicContact CD2-CG2 4.11Å; L288-V290 HydrophobicContact CG-CG2 3.89Å; L288-T308 CarbonylContact C-O 3.54Å; L288-T308 WeakPolarHBondContact CA-O 3.43Å; L288-T308 HydrophobicContact CD1-CG2 4.19Å
289I97.6Very high95.2Very high0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-123.2122.7174.1-61.7-64.2000109.4V272 L281 T291 V298 A302 M307 T308 V309 C310V272-I289 HydrophobicContact CB-CG2 4.03Å; V272-I289 HydrophobicContact CG1-CG2 4.33Å; V272-I289 HydrophobicContact CG2-CD1 4.15Å; V272-I289 HydrophobicContact CG2-CG2 4.05Å; L281-I289 HydrophobicContact CB-CD1 4.3Å; L281-I289 HydrophobicContact CD1-CD1 3.58Å; I289-T291 HydrophobicContact CG2-CG2 4.29Å; I289-V298 HydrophobicContact CG2-CG1 4.47Å; I289-A302 HydrophobicContact CB-CB 4.11Å; I289-A302 HydrophobicContact CG1-CB 3.76Å; I289-A302 HydrophobicContact CG2-CB 4.3Å; I289-M307 HydrophobicContact CD1-SD 3.74Å; I289-M307 HydrophobicContact CG1-CB 4.23Å; I289-M307 HydrophobicContact CG1-CG 4.48Å; I289-M307 HydrophobicContact CG1-SD 3.4Å; I289-M307 WeakPolarHBondContact CG1-SD 3.39Å; I289-T308 PolarHBondContact N-O 3.4Å; I289-V309 HydrophobicContact CB-CG1 4.47Å; I289-V309 HydrophobicContact CB-CG2 4.49Å; I289-V309 HydrophobicContact CG2-CG1 4.37Å; I289-V309 CarbonylContact O-C 3.54Å; I289-V309 VanDerWaalsContact O-CA 3.31Å; I289-V309 WeakPolarHBondContact O-CA 3.43Å; I289-C310 PolarHBondContact O-N 2.92Å
290V98.3Very high94.5Very high3 Ų341.1 Ų41.12%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-124.7138.4175.9-1760000108.9E242 A269 G270 T271 V272 L288 C310 K331E242-V290 WeakPolarHBondContact OE2-CB 3.39Å; E242-V290 WeakPolarHBondContact OE2-CG1 3.14Å; E242-V290 WeakPolarHBondContact OE2-CG2 3.49Å; A269-V290 PolarHBondContact O-N 2.84Å; G270-V290 CarbonylContact C-O 3.54Å; G270-V290 WeakPolarHBondContact CA-O 3.24Å; T271-V290 PolarHBondContact N-O 3.25Å; V272-V290 PolarHBondContact N-O 3.37Å; L288-V290 HydrophobicContact CD1-CG2 3.96Å; L288-V290 HydrophobicContact CD2-CG2 4.11Å; L288-V290 HydrophobicContact CG-CG2 3.89Å; V290-C310 WeakPolarHBondContact CA-O 3.31Å; V290-C310 WeakPolarHBondContact CG1-O 3.39Å; V290-C310 HydrophobicContact CG2-CB 4.41Å; V290-K331 HydrophobicContact CG1-CD 3.82Å
291T98.2Very high94Very high1 Ų144.3 Ų44.31%0.00621%0.214CC..  trans-123162.1-178.171.80000110.1V272 I289 N293 V298 P311 G312 K331V272-T291 HydrophobicContact CB-CG2 4.45Å; V272-T291 VanDerWaalsContact O-CG2 3.24Å; V272-T291 WeakPolarHBondContact O-CG2 3.11Å; I289-T291 HydrophobicContact CG2-CG2 4.29Å; T291-N293 WeakPolarHBondContact CB-O 3.28Å; T291-N293 PolarHBondContact OG1-O 2.94Å; T291-V298 HydrophobicContact CG2-CG1 4.14Å; T291-P311 HydrophobicContact CG2-CB 4.5Å; T291-P311 WeakPolarHBondContact OG1-CA 3.44Å; T291-P311 WeakPolarHBondContact OG1-CB 3.4Å; T291-G312 PolarHBondContact O-N 3.09Å; T291-G312 VanDerWaalsContact O-N 3.12Å; T291-G312 PolarHBondContact OG1-N 3.42Å; T291-K331 PolarHBondContact O-NZ 2.86Å; T291-K331 VanDerWaalsContact O-NZ 3.17Å
292P96.3Very high93.4Very high45 Ų4544.3 Ų44.329%0.29221%0.214SC..SBendtrans-90.6-8.1170.636-30000112.2T271 L273 F333T271-P292 HydrophobicContact CG2-CG 4.48Å; L273-P292 HydrophobicContact CD2-CG 3.64Å; P292-F333 HydrophobicContact CB-CE1 4.48Å
293N97.3Very high92.9Very high59 Ų5945 Ų4532%0.31622%0.215SC..SBendtrans-147.2169.1-17369.7-60.4000111.2L273 T291 G312L273-N293 VanDerWaalsContact CD2-OD1 3.31Å; L273-N293 WeakPolarHBondContact CD2-OD1 3.35Å; T291-N293 WeakPolarHBondContact CB-O 3.28Å; T291-N293 PolarHBondContact OG1-O 2.94Å; N293-G312 CarbonylContact C-O 3.12Å; N293-G312 WeakPolarHBondContact CA-O 3.25Å
294I97.9Very high91.7Very high29 Ų2937.8 Ų37.815%0.14920%0.204CC..  trans-88.2123.2170.4-56.5-48.5000110.3I299 P311 G312 C313 E318 T321 A322I294-I299 HydrophobicContact CD1-CD1 4.48Å; I294-I299 HydrophobicContact CG2-CD1 4.05Å; I294-P311 HydrophobicContact CD1-CB 3.62Å; I294-P311 HydrophobicContact CD1-CG 3.81Å; I294-G312 VanDerWaalsContact CD1-O 3.25Å; I294-G312 WeakPolarHBondContact CD1-O 3.29Å; I294-G312 PolarHBondContact N-O 3.29Å; I294-C313 HydrophobicContact CD1-CB 4.01Å; I294-C313 HydrophobicContact CG1-CB 4.03Å; I294-E318 HydrophobicContact CG1-CB 3.79Å; I294-E318 HydrophobicContact CG1-CG 4.34Å; I294-T321 HydrophobicContact CG2-CG2 3.75Å; I294-A322 HydrophobicContact CD1-CB 3.56Å; I294-A322 HydrophobicContact CG1-CB 4.28Å; I294-A322 HydrophobicContact CG2-CB 4.33Å
295H97.7Very high90.8Very high76 Ų7641.2 Ų41.235%0.35222%0.215SC..  trans-136.298.5169.8-169.9-63.7000108.7E297 V298 I299H295-E297 PolarHBondContact O-N 2.98Å; H295-E297 VanDerWaalsContact O-N 3.08Å; H295-V298 HydrophobicContact CB-CB 4.15Å; H295-V298 HydrophobicContact CB-CG2 4.06Å; H295-V298 PolarHBondContact ND1-N 3.33Å; H295-V298 WeakPolarHBondContact O-CB 3.46Å; H295-V298 PolarHBondContact O-N 3.11Å; H295-I299 PolarHBondContact O-N 3.24Å; H295-I299 VanDerWaalsContact O-N 3.14Å
296S94.6Very high90.2Very high29 Ų2940.8 Ų40.820%0.20321%0.211CC..Hα-helixtrans-56.8-33.4-167.8-49.50000114.1I299 R300S296-I299 PolarHBondContact O-N 3.44Å; S296-R300 WeakPolarHBondContact O-CB 3.48Å; S296-R300 WeakPolarHBondContact O-CG 3.43Å; S296-R300 PolarHBondContact O-N 2.99Å
297E96.1Very high89.9Confident70 Ų7040.7 Ų40.733%0.32721%0.21SC..Hα-helixtrans-71-33.3176.4-175.760.3-166.600113.3P275 H295 R300 R301P275-E297 HydrophobicContact CB-CG 4.15Å; P275-E297 HydrophobicContact CG-CB 4.16Å; P275-E297 HydrophobicContact CG-CG 3.53Å; H295-E297 PolarHBondContact O-N 2.98Å; H295-E297 VanDerWaalsContact O-N 3.08Å; E297-R300 IonicContact OE2-NE 3.21Å; E297-R301 WeakPolarHBondContact O-CB 3.33Å; E297-R301 PolarHBondContact O-N 2.85Å; E297-R301 IonicContact OE1-CZ 3.7Å; E297-R301 IonicContact OE1-NE 3.92Å; E297-R301 IonicContact OE1-NH2 3.9Å; E297-R301 PolarHBondContact OE1-NH2 3.01Å
298V97.9Very high89.8Confident0 Ų036.5 Ų36.50%019%0.19CC..Hα-helixtrans-67-44.4175168.50000109V272 P275 V278 I289 T291 H295 R301 A302V272-V298 HydrophobicContact CG1-CG1 4.09Å; P275-V298 HydrophobicContact CG-CG2 4.25Å; V278-V298 HydrophobicContact CG2-CG1 3.81Å; I289-V298 HydrophobicContact CG2-CG1 4.47Å; T291-V298 HydrophobicContact CG2-CG1 4.14Å; H295-V298 HydrophobicContact CB-CB 4.15Å; H295-V298 HydrophobicContact CB-CG2 4.06Å; H295-V298 PolarHBondContact ND1-N 3.33Å; H295-V298 WeakPolarHBondContact O-CB 3.46Å; H295-V298 PolarHBondContact O-N 3.11Å; V298-R301 PolarHBondContact O-N 2.83Å; V298-A302 WeakPolarHBondContact O-CB 3.25Å; V298-A302 PolarHBondContact O-N 3.38Å
299I91.1Very high89.7Confident0 Ų036.5 Ų36.50%019%0.19CC..Hα-helixtrans-61.6-57178.3-59.1170.5000109.9I294 H295 S296 R301 A302 V303 V309 P311 A322 A325 A327I294-I299 HydrophobicContact CD1-CD1 4.48Å; I294-I299 HydrophobicContact CG2-CD1 4.05Å; H295-I299 PolarHBondContact O-N 3.24Å; H295-I299 VanDerWaalsContact O-N 3.14Å; S296-I299 PolarHBondContact O-N 3.44Å; I299-R301 VanDerWaalsContact C-N 3.26Å; I299-R301 PolarHBondContact O-N 3.4Å; I299-A302 PolarHBondContact O-N 3.46Å; I299-A302 VanDerWaalsContact O-N 3.14Å; I299-V303 HydrophobicContact CG2-CG2 4.28Å; I299-V303 VanDerWaalsContact O-CG2 3.24Å; I299-V303 WeakPolarHBondContact O-CG2 3.2Å; I299-V303 PolarHBondContact O-N 3.04Å; I299-V309 HydrophobicContact CB-CG1 4.44Å; I299-V309 HydrophobicContact CG1-CG1 4.16Å; I299-V309 HydrophobicContact CG2-CG1 4.17Å; I299-P311 HydrophobicContact CD1-CB 3.98Å; I299-P311 HydrophobicContact CD1-CG 3.86Å; I299-P311 HydrophobicContact CG1-CB 4.24Å; I299-P311 HydrophobicContact CG1-CG 4.33Å; I299-A322 HydrophobicContact CD1-CB 4.01Å; I299-A325 HydrophobicContact CB-CB 3.82Å; I299-A325 HydrophobicContact CD1-CB 4.13Å; I299-A325 HydrophobicContact CG2-CB 3.71Å; I299-A325 WeakPolarHBondContact CG2-O 3.32Å; I299-A327 HydrophobicContact CG2-CB 3.9Å
300R80.9Confident89.7Confident128 Ų12836.6 Ų36.648%0.48319%0.191SC..Hα-helixtrans-56.5-40.9-179.9-79.5-172.3-73.2-98.83.4112.4S296 E297 G304 A325S296-R300 WeakPolarHBondContact O-CB 3.48Å; S296-R300 WeakPolarHBondContact O-CG 3.43Å; S296-R300 PolarHBondContact O-N 2.99Å; E297-R300 IonicContact OE2-NE 3.21Å; R300-G304 PolarHBondContact O-N 3.35Å; R300-A325 HydrophobicContact CG-CB 4.19Å; R300-A325 VanDerWaalsContact CG-O 3.22Å; R300-A325 WeakPolarHBondContact CG-O 3.33Å
301R87.2Confident89.7Confident85 Ų8536.4 Ų36.432%0.32119%0.19SC..Hα-helixtrans-66.3-43.9178.8-171.9159.6-64-160.31.5112.1V278 D279 E297 V298 I299 G304 Y305V278-R301 HydrophobicContact CB-CG 4.22Å; V278-R301 HydrophobicContact CG1-CB 4.4Å; V278-R301 HydrophobicContact CG1-CG 4.04Å; D279-R301 WeakPolarHBondContact OD1-CD 3.07Å; D279-R301 IonicContact OD1-NH1 3.89Å; D279-R301 IonicContact OD2-CZ 2.98Å; D279-R301 IonicContact OD2-NH1 2.68Å; D279-R301 PolarHBondContact OD2-NH1 3.08Å; E297-R301 WeakPolarHBondContact O-CB 3.33Å; E297-R301 PolarHBondContact O-N 2.85Å; E297-R301 IonicContact OE1-CZ 3.7Å; E297-R301 IonicContact OE1-NE 3.92Å; E297-R301 IonicContact OE1-NH2 3.9Å; E297-R301 PolarHBondContact OE1-NH2 3.01Å; V298-R301 PolarHBondContact O-N 2.83Å; I299-R301 VanDerWaalsContact C-N 3.26Å; I299-R301 PolarHBondContact O-N 3.4Å; R301-G304 PolarHBondContact O-N 3.21Å; R301-Y305 HydrophobicContact CG-CD2 4.22Å; R301-Y305 HydrophobicContact CG-CE2 3.86Å; R301-Y305 VanDerWaalsContact O-CD2 3.22Å; R301-Y305 WeakPolarHBondContact O-CD2 3.32Å; R301-Y305 PolarHBondContact O-N 3.45Å
302A85Confident89.7Confident0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-64-44.8177.700000111.6V278 I289 V298 I299 G304 Y305 G306 M307 V309V278-A302 HydrophobicContact CG1-CB 3.79Å; V278-A302 HydrophobicContact CG2-CB 4.47Å; I289-A302 HydrophobicContact CB-CB 4.11Å; I289-A302 HydrophobicContact CG1-CB 3.76Å; I289-A302 HydrophobicContact CG2-CB 4.3Å; V298-A302 WeakPolarHBondContact O-CB 3.25Å; V298-A302 PolarHBondContact O-N 3.38Å; I299-A302 PolarHBondContact O-N 3.46Å; I299-A302 VanDerWaalsContact O-N 3.14Å; A302-G304 VanDerWaalsContact C-N 3.27Å; A302-G304 PolarHBondContact O-N 2.99Å; A302-Y305 PolarHBondContact O-N 3.2Å; A302-Y305 VanDerWaalsContact O-N 3.07Å; A302-G306 PolarHBondContact O-N 3.42Å; A302-M307 HydrophobicContact CB-CB 4.32Å; A302-M307 HydrophobicContact CB-SD 4.21Å; A302-M307 WeakPolarHBondContact O-CB 3.47Å; A302-M307 PolarHBondContact O-N 3.34Å; A302-V309 HydrophobicContact CB-CG2 3.54Å
303V78.1Confident89.7Confident40 Ų4034.4 Ų34.424%0.24218%0.177CC..Hα-helixtrans-58.2-41172.9174.90000111I299 Y305 G306 V309 G326I299-V303 HydrophobicContact CG2-CG2 4.28Å; I299-V303 VanDerWaalsContact O-CG2 3.24Å; I299-V303 WeakPolarHBondContact O-CG2 3.2Å; I299-V303 PolarHBondContact O-N 3.04Å; V303-Y305 PolarHBondContact O-N 3.49Å; V303-G306 PolarHBondContact O-N 3.03Å; V303-V309 HydrophobicContact CG2-CG2 3.83Å; V303-G326 VanDerWaalsContact CG2-O 3.23Å; V303-G326 WeakPolarHBondContact CG2-O 3.24Å
304G68.4Low89.7Confident51 Ų5132.7 Ų32.753%0.52617%0.171SC..Hα-helixtrans-61.7-24.9176.600000114.5R300 R301 A302 G306R300-G304 PolarHBondContact O-N 3.35Å; R301-G304 PolarHBondContact O-N 3.21Å; A302-G304 VanDerWaalsContact C-N 3.27Å; A302-G304 PolarHBondContact O-N 2.99Å; G304-G306 VanDerWaalsContact C-N 3.34Å
305Y77.7Confident89.6Confident118 Ų11834.1 Ų34.146%0.46318%0.181SC..THydrogen-bonded Turntrans-88.94.2171.7-74.5-66.6000113.7V278 D279 A282 R301 A302 V303 M307V278-Y305 HydrophobicContact CG1-CD2 3.93Å; V278-Y305 HydrophobicContact CG1-CE2 4.32Å; D279-Y305 WeakPolarHBondContact OD1-CE2 3.47Å; D279-Y305 VanDerWaalsContact OD1-CZ 3.29Å; D279-Y305 PolarHBondContact OD1-OH 3.11Å; A282-Y305 HydrophobicContact CB-CD1 3.75Å; A282-Y305 HydrophobicContact CB-CD2 3.88Å; A282-Y305 HydrophobicContact CB-CE1 4Å; A282-Y305 HydrophobicContact CB-CE2 4.11Å; A282-Y305 HydrophobicContact CB-CG 3.69Å; R301-Y305 HydrophobicContact CG-CD2 4.22Å; R301-Y305 HydrophobicContact CG-CE2 3.86Å; R301-Y305 VanDerWaalsContact O-CD2 3.22Å; R301-Y305 WeakPolarHBondContact O-CD2 3.32Å; R301-Y305 PolarHBondContact O-N 3.45Å; A302-Y305 PolarHBondContact O-N 3.2Å; A302-Y305 VanDerWaalsContact O-N 3.07Å; V303-Y305 PolarHBondContact O-N 3.49Å; Y305-M307 VanDerWaalsContact C-N 3.27Å; Y305-M307 PolarHBondContact O-N 3.32Å
306G77.7Confident89.6Confident25 Ų2532.4 Ų32.426%0.25818%0.18SC..THydrogen-bonded Turntrans7318.9-175.900000113.7L64 A302 V303 G304L64-G306 WeakPolarHBondContact O-CA 3.14Å; A302-G306 PolarHBondContact O-N 3.42Å; V303-G306 PolarHBondContact O-N 3.03Å; G304-G306 VanDerWaalsContact C-N 3.34Å
307M85Confident89.7Confident4 Ų436 Ų362%0.0220%0.201CC..  trans-81.1149.6174.7-59.5172.2176.800111.2V278 L281 A282 C286 Q287 I289 A302 Y305 Q328V278-M307 HydrophobicContact CG1-SD 4.13Å; L281-M307 HydrophobicContact CB-CE 4.46Å; A282-M307 HydrophobicContact CB-CE 3.37Å; A282-M307 VanDerWaalsContact N-CE 3.26Å; C286-M307 HydrophobicContact CB-CE 4.49Å; C286-M307 WeakPolarHBondContact O-CE 3.22Å; Q287-M307 WeakPolarHBondContact O-CA 3.49Å; I289-M307 HydrophobicContact CD1-SD 3.74Å; I289-M307 HydrophobicContact CG1-CB 4.23Å; I289-M307 HydrophobicContact CG1-CG 4.48Å; I289-M307 HydrophobicContact CG1-SD 3.4Å; I289-M307 WeakPolarHBondContact CG1-SD 3.39Å; A302-M307 HydrophobicContact CB-CB 4.32Å; A302-M307 HydrophobicContact CB-SD 4.21Å; A302-M307 WeakPolarHBondContact O-CB 3.47Å; A302-M307 PolarHBondContact O-N 3.34Å; Y305-M307 VanDerWaalsContact C-N 3.27Å; Y305-M307 PolarHBondContact O-N 3.32Å; M307-Q328 PolarHBondContact O-NE2 3.4Å
308T88.5Confident89.8Confident4 Ų436 Ų363%0.02520%0.201CC..EExtended strand (participates in β ladder)trans-78.9133.3167.9-64.40000109.2W208 Q209 L266 Q287 L288 I289W208-T308 HydrophobicContact CE3-CG2 4.2Å; W208-T308 HydrophobicContact CH2-CG2 4.18Å; W208-T308 HydrophobicContact CZ3-CG2 3.54Å; Q209-T308 PolarHBondContact OE1-OG1 3.33Å; L266-T308 HydrophobicContact CD2-CG2 4.42Å; Q287-T308 PolarHBondContact O-N 3.37Å; L288-T308 CarbonylContact C-O 3.54Å; L288-T308 WeakPolarHBondContact CA-O 3.43Å; L288-T308 HydrophobicContact CD1-CG2 4.19Å; I289-T308 PolarHBondContact N-O 3.4Å
309V93.2Very high89.8Confident0 Ų036 Ų360%020%0.201CC..EExtended strand (participates in β ladder)trans-120.5124.7-178-166.60000110.2I289 I299 A302 V303 P311 Q328 A329I289-V309 HydrophobicContact CB-CG1 4.47Å; I289-V309 HydrophobicContact CB-CG2 4.49Å; I289-V309 HydrophobicContact CG2-CG1 4.37Å; I289-V309 CarbonylContact O-C 3.54Å; I289-V309 VanDerWaalsContact O-CA 3.31Å; I289-V309 WeakPolarHBondContact O-CA 3.43Å; I299-V309 HydrophobicContact CB-CG1 4.44Å; I299-V309 HydrophobicContact CG1-CG1 4.16Å; I299-V309 HydrophobicContact CG2-CG1 4.17Å; A302-V309 HydrophobicContact CB-CG2 3.54Å; V303-V309 HydrophobicContact CG2-CG2 3.83Å; V309-P311 HydrophobicContact CG1-CB 4.42Å; V309-P311 HydrophobicContact CG1-CG 4.36Å; V309-Q328 PolarHBondContact O-N 3.05Å; V309-A329 PolarHBondContact O-N 2.89Å
310C96.7Very high89.9Confident1 Ų139.7 Ų39.71%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-122.378.7173.1-171.70000109.4W208 I289 V290 A329W208-C310 HydrophobicContact CZ3-CB 4.4Å; I289-C310 PolarHBondContact O-N 2.92Å; V290-C310 WeakPolarHBondContact CA-O 3.31Å; V290-C310 WeakPolarHBondContact CG1-O 3.39Å; V290-C310 HydrophobicContact CG2-CB 4.41Å; C310-A329 HydrophobicContact CB-CB 4.08Å
311P98Very high90.7Very high0 Ų035.8 Ų35.80%021%0.208CC..  trans-80151-174.936-36.1000112.1T291 I294 I299 V309 A322 A327 A329 K331T291-P311 HydrophobicContact CG2-CB 4.5Å; T291-P311 WeakPolarHBondContact OG1-CA 3.44Å; T291-P311 WeakPolarHBondContact OG1-CB 3.4Å; I294-P311 HydrophobicContact CD1-CB 3.62Å; I294-P311 HydrophobicContact CD1-CG 3.81Å; I299-P311 HydrophobicContact CD1-CB 3.98Å; I299-P311 HydrophobicContact CD1-CG 3.86Å; I299-P311 HydrophobicContact CG1-CB 4.24Å; I299-P311 HydrophobicContact CG1-CG 4.33Å; V309-P311 HydrophobicContact CG1-CB 4.42Å; V309-P311 HydrophobicContact CG1-CG 4.36Å; P311-A322 HydrophobicContact CG-CB 3.77Å; P311-A327 HydrophobicContact CG-CB 3.72Å; P311-A329 VanDerWaalsContact CD-O 3.24Å; P311-A329 WeakPolarHBondContact CD-O 3.25Å; P311-K331 PolarHBondContact O-N 3.27Å
312G97.8Very high91.1Very high1 Ų131.8 Ų31.81%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-80126179.500000112.9T291 N293 I294 K331T291-G312 PolarHBondContact O-N 3.09Å; T291-G312 VanDerWaalsContact O-N 3.12Å; T291-G312 PolarHBondContact OG1-N 3.42Å; N293-G312 CarbonylContact C-O 3.12Å; N293-G312 WeakPolarHBondContact CA-O 3.25Å; I294-G312 VanDerWaalsContact CD1-O 3.25Å; I294-G312 WeakPolarHBondContact CD1-O 3.29Å; I294-G312 PolarHBondContact N-O 3.29Å; G312-K331 CarbonylContact C-O 3.55Å; G312-K331 VanDerWaalsContact CA-O 3.32Å; G312-K331 WeakPolarHBondContact CA-O 3.49Å
313C97.5Very high91.3Very high3 Ų333.3 Ų33.32%0.0220%0.2CC..EExtended strand (participates in β ladder)trans-134.1160.7171.760.50000112.1I294 E318 K331 I332 F333I294-C313 HydrophobicContact CD1-CB 4.01Å; I294-C313 HydrophobicContact CG1-CB 4.03Å; C313-E318 HydrophobicContact CB-CB 3.58Å; C313-K331 PolarHBondContact N-O 2.85Å; C313-I332 WeakPolarHBondContact O-CA 3.4Å; C313-F333 PolarHBondContact O-N 3.2Å
314A96.4Very high91.5Very high23 Ų2339 Ų3919%0.1922%0.224CC..SBendtrans-128.1-8.8177.900000113.1E318 F338 Y342A314-E318 WeakPolarHBondContact CA-OE2 3.18Å; A314-E318 PolarHBondContact N-OE2 2.82Å; A314-F338 HydrophobicContact CB-CE2 3.84Å; A314-F338 HydrophobicContact CB-CZ 3.59Å; A314-Y342 VanDerWaalsContact O-CZ 3.3Å; A314-Y342 PolarHBondContact O-OH 3.18Å
315T97Very high92.2Very high59 Ų5936.7 Ų36.736%0.36220%0.201SC..SBendtrans-133.8159.9-177.565.20000112.1T317 E318 A319 Y342T315-T317 VanDerWaalsContact C-N 3.32Å; T315-T317 PolarHBondContact O-N 3.37Å; T315-E318 PolarHBondContact N-OE2 3.15Å; T315-E318 PolarHBondContact O-N 2.92Å; T315-E318 WeakPolarHBondContact OG1-CB 3.33Å; T315-E318 VanDerWaalsContact OG1-CG 3.24Å; T315-E318 WeakPolarHBondContact OG1-CG 3.48Å; T315-E318 PolarHBondContact OG1-N 3.47Å; T315-E318 PolarHBondContact OG1-OE2 3.39Å; T315-A319 PolarHBondContact O-N 3Å; T315-Y342 VanDerWaalsContact CA-OH 3.31Å; T315-Y342 WeakPolarHBondContact CA-OH 3.46Å
316A95.9Very high92.4Very high39 Ų3932.5 Ų32.532%0.32219%0.194SC..Hα-helixtrans-60.1-41.7173.700000112.1E318 A319 F320 L346A316-E318 VanDerWaalsContact C-N 3.35Å; A316-E318 PolarHBondContact O-N 3.13Å; A316-A319 WeakPolarHBondContact O-CB 3.31Å; A316-A319 PolarHBondContact O-N 2.9Å; A316-F320 VanDerWaalsContact O-CD2 3.26Å; A316-F320 WeakPolarHBondContact O-CD2 3.21Å; A316-F320 PolarHBondContact O-N 3.08Å; A316-L346 HydrophobicContact CB-CD1 3.76Å
317T97.6Very high93Very high106 Ų10631.7 Ų31.765%0.6518%0.184SC*.Hα-helixtrans-58.4-46.2177.1-55.60000111.8T315 F320 T321T315-T317 VanDerWaalsContact C-N 3.32Å; T315-T317 PolarHBondContact O-N 3.37Å; T317-F320 PolarHBondContact O-N 3.1Å; T317-T321 WeakPolarHBondContact O-CB 3.28Å; T317-T321 PolarHBondContact O-N 2.97Å; T317-T321 PolarHBondContact O-OG1 3.46Å
318E98Very high93Very high69 Ų6935 Ų3532%0.32220%0.2SC..Hα-helixtrans-63.9-43.1176.8-74.5169.1146.500111.6I294 C313 A314 T315 A316 T321 A322I294-E318 HydrophobicContact CG1-CB 3.79Å; I294-E318 HydrophobicContact CG1-CG 4.34Å; C313-E318 HydrophobicContact CB-CB 3.58Å; A314-E318 WeakPolarHBondContact CA-OE2 3.18Å; A314-E318 PolarHBondContact N-OE2 2.82Å; T315-E318 PolarHBondContact N-OE2 3.15Å; T315-E318 PolarHBondContact O-N 2.92Å; T315-E318 WeakPolarHBondContact OG1-CB 3.33Å; T315-E318 VanDerWaalsContact OG1-CG 3.24Å; T315-E318 WeakPolarHBondContact OG1-CG 3.48Å; T315-E318 PolarHBondContact OG1-N 3.47Å; T315-E318 PolarHBondContact OG1-OE2 3.39Å; A316-E318 VanDerWaalsContact C-N 3.35Å; A316-E318 PolarHBondContact O-N 3.13Å; E318-T321 WeakPolarHBondContact O-CB 3.48Å; E318-T321 PolarHBondContact O-N 3.49Å; E318-A322 WeakPolarHBondContact O-CB 3.39Å; E318-A322 PolarHBondContact O-N 3.07Å
319A97.3Very high93.2Very high0 Ų034.8 Ų34.80%020%0.198CC..Hα-helixtrans-57.5-51.7176.200000111.7T315 A316 T321 A322 L323 L330 L350T315-A319 PolarHBondContact O-N 3Å; A316-A319 WeakPolarHBondContact O-CB 3.31Å; A316-A319 PolarHBondContact O-N 2.9Å; A319-T321 VanDerWaalsContact C-N 3.34Å; A319-T321 PolarHBondContact O-N 2.82Å; A319-A322 WeakPolarHBondContact O-CB 3.34Å; A319-A322 PolarHBondContact O-N 3.14Å; A319-A322 VanDerWaalsContact O-N 3.12Å; A319-L323 WeakPolarHBondContact O-CG 3.44Å; A319-L323 PolarHBondContact O-N 3.2Å; A319-L330 HydrophobicContact CB-CD1 3.66Å; A319-L330 HydrophobicContact CB-CD2 4.36Å; A319-L350 HydrophobicContact CB-CD2 3.9Å
320F94.1Very high93.4Very high78 Ų7834.8 Ų34.834%0.34220%0.198SC..Hα-helixtrans-63.8-37.6176.9-78.5-73.3000112.8A316 T317 A322 L323 E324 V349 L350A316-F320 VanDerWaalsContact O-CD2 3.26Å; A316-F320 WeakPolarHBondContact O-CD2 3.21Å; A316-F320 PolarHBondContact O-N 3.08Å; T317-F320 PolarHBondContact O-N 3.1Å; F320-A322 PolarHBondContact O-N 3.25Å; F320-L323 HydrophobicContact CD1-CD1 4.43Å; F320-L323 PolarHBondContact O-N 3.49Å; F320-E324 WeakPolarHBondContact O-CB 3.41Å; F320-E324 WeakPolarHBondContact O-CG 3.25Å; F320-E324 PolarHBondContact O-N 3.45Å; F320-V349 HydrophobicContact CE2-CG2 4.36Å; F320-V349 WeakPolarHBondContact CZ-O 3.27Å; F320-L350 HydrophobicContact CE2-CD2 4.5Å
321T97.1Very high93.4Very high46 Ų4635 Ų3528%0.28220%0.199SC..Hα-helixtrans-59.9-36174-57.90000111.8I294 T317 E318 A319 A325I294-T321 HydrophobicContact CG2-CG2 3.75Å; T317-T321 WeakPolarHBondContact O-CB 3.28Å; T317-T321 PolarHBondContact O-N 2.97Å; T317-T321 PolarHBondContact O-OG1 3.46Å; E318-T321 WeakPolarHBondContact O-CB 3.48Å; E318-T321 PolarHBondContact O-N 3.49Å; A319-T321 VanDerWaalsContact C-N 3.34Å; A319-T321 PolarHBondContact O-N 2.82Å; T321-A325 WeakPolarHBondContact O-CB 3.27Å; T321-A325 PolarHBondContact O-N 2.9Å
322A96.1Very high93.4Very high0 Ų035 Ų350%020%0.199CC..Hα-helixtrans-70.6-44.2176.600000112.1I294 I299 P311 E318 A319 F320 A325 G326 A327 L330I294-A322 HydrophobicContact CD1-CB 3.56Å; I294-A322 HydrophobicContact CG1-CB 4.28Å; I294-A322 HydrophobicContact CG2-CB 4.33Å; I299-A322 HydrophobicContact CD1-CB 4.01Å; P311-A322 HydrophobicContact CG-CB 3.77Å; E318-A322 WeakPolarHBondContact O-CB 3.39Å; E318-A322 PolarHBondContact O-N 3.07Å; A319-A322 WeakPolarHBondContact O-CB 3.34Å; A319-A322 PolarHBondContact O-N 3.14Å; A319-A322 VanDerWaalsContact O-N 3.12Å; F320-A322 PolarHBondContact O-N 3.25Å; A322-A325 CarbonylContact O-C 3.56Å; A322-A325 WeakPolarHBondContact O-CA 3.42Å; A322-A325 WeakPolarHBondContact O-CB 3.39Å; A322-A325 PolarHBondContact O-N 3.3Å; A322-A325 VanDerWaalsContact O-N 3.14Å; A322-G326 PolarHBondContact O-N 3.14Å; A322-A327 HydrophobicContact CB-CB 4.16Å; A322-A327 VanDerWaalsContact O-CB 3.31Å; A322-A327 WeakPolarHBondContact O-CB 3.32Å; A322-A327 PolarHBondContact O-N 3.44Å; A322-L330 HydrophobicContact CB-CD2 3.76Å
323L88.3Confident93.3Very high32 Ų3238.5 Ų38.517%0.16821%0.214CC..Hα-helixtrans-64.5-43178.1-64179.8000111.6A319 F320 A325 G326 A327 L330 L350 P351 I354A319-L323 WeakPolarHBondContact O-CG 3.44Å; A319-L323 PolarHBondContact O-N 3.2Å; F320-L323 HydrophobicContact CD1-CD1 4.43Å; F320-L323 PolarHBondContact O-N 3.49Å; L323-A325 PolarHBondContact O-N 3.18Å; L323-G326 WeakPolarHBondContact O-CA 3.18Å; L323-G326 PolarHBondContact O-N 3.48Å; L323-A327 WeakPolarHBondContact CD2-O 3.3Å; L323-L330 HydrophobicContact CD1-CD1 4.43Å; L323-L330 HydrophobicContact CD2-CD1 4.37Å; L323-L330 HydrophobicContact CD2-CD2 4.29Å; L323-L330 HydrophobicContact CD2-CG 4.25Å; L323-L330 HydrophobicContact CG-CD1 4.41Å; L323-L330 HydrophobicContact CG-CD2 4.49Å; L323-L350 HydrophobicContact CD1-CD2 4.1Å; L323-P351 HydrophobicContact CD1-CG 4.31Å; L323-I354 HydrophobicContact CD1-CD1 4.49Å; L323-I354 HydrophobicContact CD1-CG1 3.96Å; L323-I354 HydrophobicContact CD2-CD1 3.58Å; L323-I354 HydrophobicContact CD2-CG1 3.81Å; L323-I354 HydrophobicContact CD2-CG2 3.91Å
324E83.8Confident93.2Very high159 Ų15940.7 Ų40.774%0.74323%0.229SC*.Hα-helixtrans-60.7-30.1172.8-74.4175-169.900112.5F320 G326F320-E324 WeakPolarHBondContact O-CB 3.41Å; F320-E324 WeakPolarHBondContact O-CG 3.25Å; F320-E324 PolarHBondContact O-N 3.45Å; E324-G326 VanDerWaalsContact C-N 3.25Å; E324-G326 PolarHBondContact O-N 3.4Å
325A82.9Confident93.2Very high4 Ų439.7 Ų39.73%0.03322%0.22CC..THydrogen-bonded Turntrans-80-4.8174.400000113.5I299 R300 T321 A322 L323I299-A325 HydrophobicContact CB-CB 3.82Å; I299-A325 HydrophobicContact CD1-CB 4.13Å; I299-A325 HydrophobicContact CG2-CB 3.71Å; I299-A325 WeakPolarHBondContact CG2-O 3.32Å; R300-A325 HydrophobicContact CG-CB 4.19Å; R300-A325 VanDerWaalsContact CG-O 3.22Å; R300-A325 WeakPolarHBondContact CG-O 3.33Å; T321-A325 WeakPolarHBondContact O-CB 3.27Å; T321-A325 PolarHBondContact O-N 2.9Å; A322-A325 CarbonylContact O-C 3.56Å; A322-A325 WeakPolarHBondContact O-CA 3.42Å; A322-A325 WeakPolarHBondContact O-CB 3.39Å; A322-A325 PolarHBondContact O-N 3.3Å; A322-A325 VanDerWaalsContact O-N 3.14Å; L323-A325 PolarHBondContact O-N 3.18Å
326G82.1Confident93.1Very high30 Ų3040.4 Ų40.431%0.30923%0.228SC..THydrogen-bonded Turntrans98.910.9175.400000115.4V303 A322 L323 E324 Q328V303-G326 VanDerWaalsContact CG2-O 3.23Å; V303-G326 WeakPolarHBondContact CG2-O 3.24Å; A322-G326 PolarHBondContact O-N 3.14Å; L323-G326 WeakPolarHBondContact O-CA 3.18Å; L323-G326 PolarHBondContact O-N 3.48Å; E324-G326 VanDerWaalsContact C-N 3.25Å; E324-G326 PolarHBondContact O-N 3.4Å; G326-Q328 PolarHBondContact O-N 3.11Å
327A88.9Confident93Very high7 Ų742.1 Ų42.16%0.05824%0.242CC..  trans-61.3136.4176.300000111.5I299 P311 A322 L323I299-A327 HydrophobicContact CG2-CB 3.9Å; P311-A327 HydrophobicContact CG-CB 3.72Å; A322-A327 HydrophobicContact CB-CB 4.16Å; A322-A327 VanDerWaalsContact O-CB 3.31Å; A322-A327 WeakPolarHBondContact O-CB 3.32Å; A322-A327 PolarHBondContact O-N 3.44Å; L323-A327 WeakPolarHBondContact CD2-O 3.3Å
328Q86.2Confident92.9Very high74 Ų7441 Ų4135%0.34623%0.228SC..SBendtrans-94.1-15.5-177.7-53.887-4.800113.1M307 V309 G326M307-Q328 PolarHBondContact O-NE2 3.4Å; V309-Q328 PolarHBondContact O-N 3.05Å; G326-Q328 PolarHBondContact O-N 3.11Å
329A92.7Very high92.8Very high0 Ų038.6 Ų38.60%022%0.222CC..EExtended strand (participates in β ladder)trans-141.2166.1175.300000109.9W208 V309 C310 P311 A355 F357W208-A329 HydrophobicContact CE3-CB 3.88Å; W208-A329 HydrophobicContact CZ3-CB 3.96Å; V309-A329 PolarHBondContact O-N 2.89Å; C310-A329 HydrophobicContact CB-CB 4.08Å; P311-A329 VanDerWaalsContact CD-O 3.24Å; P311-A329 WeakPolarHBondContact CD-O 3.25Å; A329-A355 CarbonylContact C-O 3.58Å; A329-A355 WeakPolarHBondContact CA-O 3.19Å; A329-A355 HydrophobicContact CB-CB 4.23Å; A329-F357 HydrophobicContact CB-CD2 4.18Å; A329-F357 HydrophobicContact CB-CE2 3.99Å
330L96.7Very high92.8Very high0 Ų040.5 Ų40.50%023%0.234CC..EExtended strand (participates in β ladder)trans-126.5135.9175.3-66.4173.5000110.5A319 A322 L323 L350 I354 A355 V356 F357A319-L330 HydrophobicContact CB-CD1 3.66Å; A319-L330 HydrophobicContact CB-CD2 4.36Å; A322-L330 HydrophobicContact CB-CD2 3.76Å; L323-L330 HydrophobicContact CD1-CD1 4.43Å; L323-L330 HydrophobicContact CD2-CD1 4.37Å; L323-L330 HydrophobicContact CD2-CD2 4.29Å; L323-L330 HydrophobicContact CD2-CG 4.25Å; L323-L330 HydrophobicContact CG-CD1 4.41Å; L323-L330 HydrophobicContact CG-CD2 4.49Å; L330-L350 HydrophobicContact CD1-CD1 3.78Å; L330-L350 HydrophobicContact CD1-CD2 3.8Å; L330-L350 HydrophobicContact CD1-CG 4.46Å; L330-I354 HydrophobicContact CB-CG2 4.48Å; L330-I354 HydrophobicContact CD1-CG2 3.77Å; L330-I354 HydrophobicContact CG-CG2 3.84Å; L330-A355 PolarHBondContact N-O 3.07Å; L330-V356 HydrophobicContact CB-CG2 4.45Å; L330-V356 CarbonylContact O-C 3.54Å; L330-V356 WeakPolarHBondContact O-CA 3.45Å; L330-F357 PolarHBondContact O-N 3.07Å
331K97Very high92.9Very high6 Ų643.6 Ų43.63%0.02625%0.25CC..EExtended strand (participates in β ladder)trans-104.1118.1171.7152.4178.3170.6-166.70109V290 T291 P311 G312 C313 F333 V359V290-K331 HydrophobicContact CG1-CD 3.82Å; T291-K331 PolarHBondContact O-NZ 2.86Å; T291-K331 VanDerWaalsContact O-NZ 3.17Å; P311-K331 PolarHBondContact O-N 3.27Å; G312-K331 CarbonylContact C-O 3.55Å; G312-K331 VanDerWaalsContact CA-O 3.32Å; G312-K331 WeakPolarHBondContact CA-O 3.49Å; C313-K331 PolarHBondContact N-O 2.85Å; K331-F333 HydrophobicContact CD-CB 4.37Å; K331-F333 HydrophobicContact CG-CB 3.9Å; K331-F333 PolarHBondContact O-N 3.24Å; K331-V359 HydrophobicContact CB-CG2 4.15Å; K331-V359 HydrophobicContact CD-CB 4Å; K331-V359 HydrophobicContact CD-CG1 4.17Å; K331-V359 HydrophobicContact CD-CG2 3.73Å; K331-V359 HydrophobicContact CG-CB 3.81Å; K331-V359 HydrophobicContact CG-CG2 3.49Å; K331-V359 VanDerWaalsContact CG-CG2 3.49Å
332I97.7Very high92.9Very high0 Ų044.3 Ų44.30%025%0.248CC..EExtended strand (participates in β ladder)trans-84.5113.3173.5-51.2-50.4000108.4C313 S335 F338 Y342 I343 L346 V356 F357 V359C313-I332 WeakPolarHBondContact O-CA 3.4Å; I332-S335 PolarHBondContact O-N 3.21Å; I332-S335 PolarHBondContact O-OG 3.02Å; I332-F338 HydrophobicContact CG2-CD2 4.41Å; I332-Y342 HydrophobicContact CG2-CD1 4.22Å; I332-Y342 HydrophobicContact CG2-CE1 4.16Å; I332-I343 HydrophobicContact CB-CD1 4.33Å; I332-I343 HydrophobicContact CG1-CD1 4.36Å; I332-I343 HydrophobicContact CG1-CG1 4.36Å; I332-I343 HydrophobicContact CG2-CG1 4.38Å; I332-L346 HydrophobicContact CD1-CD2 3.38Å; I332-L346 HydrophobicContact CG1-CD2 4.29Å; I332-V356 HydrophobicContact CD1-CG1 4.08Å; I332-V356 HydrophobicContact CG1-CG1 3.55Å; I332-F357 PolarHBondContact N-O 3.04Å; I332-V359 PolarHBondContact O-N 3.4Å; I332-V359 VanDerWaalsContact O-O 3.13Å
333F96.2Very high92.9Very high73 Ų7344.3 Ų44.332%0.3225%0.248SC..THydrogen-bonded Turntrans-139.9131.3-170.7177.7-100.1000113.2P292 C313 K331 V359P292-F333 HydrophobicContact CB-CE1 4.48Å; C313-F333 PolarHBondContact O-N 3.2Å; K331-F333 HydrophobicContact CD-CB 4.37Å; K331-F333 HydrophobicContact CG-CB 3.9Å; K331-F333 PolarHBondContact O-N 3.24Å; F333-V359 HydrophobicContact CD2-CB 4.33Å; F333-V359 HydrophobicContact CD2-CG1 4.15Å; F333-V359 WeakPolarHBondContact CD2-O 3.49Å
334P95Very high93.2Very high50 Ų5048.7 Ų48.733%0.32527%0.265SS..THydrogen-bonded Turncis-79.7119.5-10.430.3-31.6000112S336 A337 F338P334-S336 VanDerWaalsContact C-N 3.32Å; P334-S336 PolarHBondContact O-N 3.42Å; P334-A337 HydrophobicContact CG-CB 3.98Å; P334-A337 WeakPolarHBondContact O-CB 3.47Å; P334-A337 PolarHBondContact O-N 3.3Å; P334-A337 VanDerWaalsContact O-N 3.1Å; P334-F338 WeakPolarHBondContact O-CD2 3.5Å
335S96.7Very high93.7Very high1 Ų143.9 Ų43.91%0.00725%0.253CS..Hα-helixtrans-55-42.4-178.6-77.90000113.3I332 A337 F338 G339 A358 V359 W370I332-S335 PolarHBondContact O-N 3.21Å; I332-S335 PolarHBondContact O-OG 3.02Å; S335-A337 PolarHBondContact O-N 3.12Å; S335-A337 VanDerWaalsContact O-N 3.08Å; S335-F338 PolarHBondContact O-N 2.92Å; S335-G339 PolarHBondContact O-N 2.93Å; S335-A358 VanDerWaalsContact OG-CA 3.24Å; S335-A358 WeakPolarHBondContact OG-CA 3.36Å; S335-V359 PolarHBondContact N-O 3.23Å; S335-V359 PolarHBondContact OG-N 2.95Å; S335-W370 WeakPolarHBondContact O-CH2 3.31Å
336S94.1Very high94.3Very high75 Ų7544 Ų4452%0.52425%0.253SS..Hα-helixtrans-58.3-23.4179.461.80000114.8P334 G360P334-S336 VanDerWaalsContact C-N 3.32Å; P334-S336 PolarHBondContact O-N 3.42Å; S336-G360 WeakPolarHBondContact CB-O 3.33Å; S336-G360 PolarHBondContact N-O 3.25Å; S336-G360 PolarHBondContact OG-O 2.79Å
337A95.4Very high94.8Very high75 Ų7545 Ų4562%0.6225%0.249SC*.Hα-helixtrans-79.2-28.1177.200000112.8P334 S335P334-A337 HydrophobicContact CG-CB 3.98Å; P334-A337 WeakPolarHBondContact O-CB 3.47Å; P334-A337 PolarHBondContact O-N 3.3Å; P334-A337 VanDerWaalsContact O-N 3.1Å; S335-A337 PolarHBondContact O-N 3.12Å; S335-A337 VanDerWaalsContact O-N 3.08Å
338F94.6Very high95Very high82 Ų8248.8 Ų48.836%0.3628%0.28SS..Hα-helixtrans-100-29.5-176-58-72.3000113A314 I332 P334 S335 Y342A314-F338 HydrophobicContact CB-CE2 3.84Å; A314-F338 HydrophobicContact CB-CZ 3.59Å; I332-F338 HydrophobicContact CG2-CD2 4.41Å; P334-F338 WeakPolarHBondContact O-CD2 3.5Å; S335-F338 PolarHBondContact O-N 2.92Å; F338-Y342 HydrophobicContact CB-CD1 3.65Å; F338-Y342 HydrophobicContact CB-CG 3.69Å; F338-Y342 HydrophobicContact CD1-CD1 4.44Å; F338-Y342 HydrophobicContact CD1-CG 4.42Å; F338-Y342 HydrophobicContact CG-CD1 4.02Å; F338-Y342 HydrophobicContact CG-CE1 4.47Å; F338-Y342 HydrophobicContact CG-CG 4.27Å; F338-Y342 WeakPolarHBondContact O-CB 3.31Å
339G95.8Very high95.3Very high19 Ų1949.2 Ų49.220%0.19629%0.287CS..Hα-helixtrans76167.3179.700000114.2S335 Q341 Y342 W370S335-G339 PolarHBondContact O-N 2.93Å; G339-Q341 VanDerWaalsContact C-N 3.26Å; G339-Q341 PolarHBondContact O-N 2.68Å; G339-Y342 PolarHBondContact O-N 2.99Å; G339-W370 VanDerWaalsContact C-CZ3 3.43Å
340P96.3Very high95.1Very high40 Ų4049.9 Ų49.926%0.2629%0.291SS..Hα-helixtrans-60.8-32.6-176-2433.3000113.6Y342 I343 K344 Q369 W370 A373P340-Y342 VanDerWaalsContact C-N 3.27Å; P340-Y342 PolarHBondContact O-N 3.43Å; P340-I343 PolarHBondContact O-N 3.28Å; P340-I343 VanDerWaalsContact O-N 3.14Å; P340-K344 PolarHBondContact O-N 3.21Å; P340-K344 VanDerWaalsContact O-N 3.07Å; P340-Q369 HydrophobicContact CG-CB 4.17Å; P340-W370 HydrophobicContact CB-CE3 4.2Å; P340-W370 HydrophobicContact CB-CZ3 4.28Å; P340-W370 HydrophobicContact CG-CD2 4.31Å; P340-W370 HydrophobicContact CG-CE3 3.93Å; P340-W370 HydrophobicContact CG-CH2 4.16Å; P340-W370 HydrophobicContact CG-CZ3 3.87Å; P340-A373 HydrophobicContact CB-CB 3.66Å; P340-A373 VanDerWaalsContact O-CB 3.27Å; P340-A373 WeakPolarHBondContact O-CB 3.34Å
341Q96.5Very high94.4Very high143 Ų14352.3 Ų52.367%0.66831%0.307SS*.Hα-helixtrans-62.4-34.1179.7-172.160.335.100112.9G339 K344 A345G339-Q341 VanDerWaalsContact C-N 3.26Å; G339-Q341 PolarHBondContact O-N 2.68Å; Q341-K344 PolarHBondContact O-N 2.99Å; Q341-A345 PolarHBondContact O-N 3Å; Q341-A345 VanDerWaalsContact O-N 3.08Å
342Y97.3Very high93.5Very high60 Ų6056.2 Ų56.224%0.23534%0.335CS..Hα-helixtrans-65.9-43.2175.3177-99.3000111.5A314 T315 I332 F338 G339 P340 K344 A345 L346A314-Y342 VanDerWaalsContact O-CZ 3.3Å; A314-Y342 PolarHBondContact O-OH 3.18Å; T315-Y342 VanDerWaalsContact CA-OH 3.31Å; T315-Y342 WeakPolarHBondContact CA-OH 3.46Å; I332-Y342 HydrophobicContact CG2-CD1 4.22Å; I332-Y342 HydrophobicContact CG2-CE1 4.16Å; F338-Y342 HydrophobicContact CB-CD1 3.65Å; F338-Y342 HydrophobicContact CB-CG 3.69Å; F338-Y342 HydrophobicContact CD1-CD1 4.44Å; F338-Y342 HydrophobicContact CD1-CG 4.42Å; F338-Y342 HydrophobicContact CG-CD1 4.02Å; F338-Y342 HydrophobicContact CG-CE1 4.47Å; F338-Y342 HydrophobicContact CG-CG 4.27Å; F338-Y342 WeakPolarHBondContact O-CB 3.31Å; G339-Y342 PolarHBondContact O-N 2.99Å; P340-Y342 VanDerWaalsContact C-N 3.27Å; P340-Y342 PolarHBondContact O-N 3.43Å; Y342-K344 VanDerWaalsContact C-N 3.3Å; Y342-K344 PolarHBondContact O-N 3.3Å; Y342-A345 WeakPolarHBondContact O-CB 3.17Å; Y342-A345 PolarHBondContact O-N 3.42Å; Y342-L346 HydrophobicContact CE1-CB 4.5Å; Y342-L346 HydrophobicContact CE1-CD2 4.18Å; Y342-L346 WeakPolarHBondContact O-CB 3.49Å; Y342-L346 PolarHBondContact O-N 2.93Å
343I95.8Very high92.4Very high1 Ų158.5 Ų58.51%0.00535%0.347CS..Hα-helixtrans-59.7-44.4176.8-61.1-167000110.4I332 P340 A345 L346 K347 V356 A358 W370 A373 C375I332-I343 HydrophobicContact CB-CD1 4.33Å; I332-I343 HydrophobicContact CG1-CD1 4.36Å; I332-I343 HydrophobicContact CG1-CG1 4.36Å; I332-I343 HydrophobicContact CG2-CG1 4.38Å; P340-I343 PolarHBondContact O-N 3.28Å; P340-I343 VanDerWaalsContact O-N 3.14Å; I343-A345 VanDerWaalsContact C-N 3.32Å; I343-A345 PolarHBondContact O-N 2.91Å; I343-L346 PolarHBondContact O-N 3.48Å; I343-L346 VanDerWaalsContact O-N 3.15Å; I343-K347 HydrophobicContact CG2-CG 4.36Å; I343-K347 PolarHBondContact O-N 2.92Å; I343-V356 HydrophobicContact CG2-CG1 4.22Å; I343-A358 HydrophobicContact CD1-CB 4.16Å; I343-W370 HydrophobicContact CD1-CE3 3.53Å; I343-W370 HydrophobicContact CD1-CZ3 3.72Å; I343-W370 HydrophobicContact CG1-CE3 4.44Å; I343-W370 HydrophobicContact CG1-CZ3 4.31Å; I343-A373 HydrophobicContact CB-CB 4.24Å; I343-A373 HydrophobicContact CG2-CB 4.36Å; I343-C375 WeakPolarHBondContact CD1-SG 3.4Å
344K94.6Very high91.8Very high123 Ų12356 Ų5654%0.53534%0.336SS..Hα-helixtrans-59.7-41.8176.5-169.6169.8-175.21670112.4P340 Q341 Y342 A348 A373P340-K344 PolarHBondContact O-N 3.21Å; P340-K344 VanDerWaalsContact O-N 3.07Å; Q341-K344 PolarHBondContact O-N 2.99Å; Y342-K344 VanDerWaalsContact C-N 3.3Å; Y342-K344 PolarHBondContact O-N 3.3Å; K344-A348 PolarHBondContact O-N 2.8Å; K344-A373 WeakPolarHBondContact CA-O 3.46Å
345A96.2Very high91.5Very high58 Ų5854 Ų5448%0.47932%0.324SS..Hα-helixtrans-65.8-39175.800000112.2Q341 Y342 I343 A348Q341-A345 PolarHBondContact O-N 3Å; Q341-A345 VanDerWaalsContact O-N 3.08Å; Y342-A345 WeakPolarHBondContact O-CB 3.17Å; Y342-A345 PolarHBondContact O-N 3.42Å; I343-A345 VanDerWaalsContact C-N 3.32Å; I343-A345 PolarHBondContact O-N 2.91Å; A345-A348 WeakPolarHBondContact O-CB 3.33Å; A345-A348 PolarHBondContact O-N 3.47Å
346L95.2Very high91.4Very high6 Ų654 Ų543%0.03132%0.324CS..Hα-helixtrans-69.6-43.4177.8-171.965.7000111.7A316 I332 Y342 I343 A348 V349 L350A316-L346 HydrophobicContact CB-CD1 3.76Å; I332-L346 HydrophobicContact CD1-CD2 3.38Å; I332-L346 HydrophobicContact CG1-CD2 4.29Å; Y342-L346 HydrophobicContact CE1-CB 4.5Å; Y342-L346 HydrophobicContact CE1-CD2 4.18Å; Y342-L346 WeakPolarHBondContact O-CB 3.49Å; Y342-L346 PolarHBondContact O-N 2.93Å; I343-L346 PolarHBondContact O-N 3.48Å; I343-L346 VanDerWaalsContact O-N 3.15Å; L346-A348 PolarHBondContact O-N 2.89Å; L346-V349 HydrophobicContact CD1-CG2 4.39Å; L346-V349 WeakPolarHBondContact O-CG2 3.45Å; L346-V349 PolarHBondContact O-N 3.24Å; L346-L350 HydrophobicContact CD2-CD1 4.14Å; L346-L350 HydrophobicContact CG-CD1 3.78Å; L346-L350 HydrophobicContact CG-CG 4.12Å; L346-L350 WeakPolarHBondContact O-CG 3.5Å; L346-L350 PolarHBondContact O-N 2.99Å; L346-L350 VanDerWaalsContact O-N 3.11Å
347K91.8Very high91.5Very high53 Ų5350.4 Ų50.423%0.2330%0.299CS..Hα-helixtrans-60.4-23.9176-80.7-70.2-67.11740113.3I343 V349 L350 S352 I354 V356 G374I343-K347 HydrophobicContact CG2-CG 4.36Å; I343-K347 PolarHBondContact O-N 2.92Å; K347-V349 PolarHBondContact O-N 3.27Å; K347-L350 HydrophobicContact CD-CD1 4.49Å; K347-S352 PolarHBondContact NZ-O 3.41Å; K347-I354 PolarHBondContact NZ-O 3.36Å; K347-I354 VanDerWaalsContact NZ-O 3.11Å; K347-V356 HydrophobicContact CD-CB 4.16Å; K347-V356 HydrophobicContact CD-CG2 3.59Å; K347-V356 HydrophobicContact CG-CG2 4.42Å; K347-G374 WeakPolarHBondContact CE-O 3.43Å
348A92.2Very high91.7Very high85 Ų8546.9 Ų46.970%0.70227%0.27SS*.THydrogen-bonded Turntrans-68.8-20.1176.200000113.7K344 A345 L346K344-A348 PolarHBondContact O-N 2.8Å; A345-A348 WeakPolarHBondContact O-CB 3.33Å; A345-A348 PolarHBondContact O-N 3.47Å; L346-A348 PolarHBondContact O-N 2.89Å
349V92.6Very high91.8Very high84 Ų8443.4 Ų43.451%0.50926%0.255SS..THydrogen-bonded Turntrans-111-20.7177.9-60.80000113.2F320 L346 K347F320-V349 HydrophobicContact CE2-CG2 4.36Å; F320-V349 WeakPolarHBondContact CZ-O 3.27Å; L346-V349 HydrophobicContact CD1-CG2 4.39Å; L346-V349 WeakPolarHBondContact O-CG2 3.45Å; L346-V349 PolarHBondContact O-N 3.24Å; K347-V349 PolarHBondContact O-N 3.27Å
350L88.7Confident91.8Very high13 Ų1343.5 Ų43.57%0.06826%0.256CS..SBendtrans-72.4150.3177.4-69.6174.4000111.6A319 F320 L323 L330 L346 K347 V356A319-L350 HydrophobicContact CB-CD2 3.9Å; F320-L350 HydrophobicContact CE2-CD2 4.5Å; L323-L350 HydrophobicContact CD1-CD2 4.1Å; L330-L350 HydrophobicContact CD1-CD1 3.78Å; L330-L350 HydrophobicContact CD1-CD2 3.8Å; L330-L350 HydrophobicContact CD1-CG 4.46Å; L346-L350 HydrophobicContact CD2-CD1 4.14Å; L346-L350 HydrophobicContact CG-CD1 3.78Å; L346-L350 HydrophobicContact CG-CG 4.12Å; L346-L350 WeakPolarHBondContact O-CG 3.5Å; L346-L350 PolarHBondContact O-N 2.99Å; L346-L350 VanDerWaalsContact O-N 3.11Å; K347-L350 HydrophobicContact CD-CD1 4.49Å; L350-V356 HydrophobicContact CD1-CG2 3.72Å
351P81.8Confident91.7Very high52 Ų5243.2 Ų43.234%0.33826%0.261SS..  trans-55.9142.1168.5-18.530.3000111L323 D353 I354L323-P351 HydrophobicContact CD1-CG 4.31Å; P351-D353 VanDerWaalsContact C-N 3.28Å; P351-D353 WeakPolarHBondContact CB-OD1 3.42Å; P351-D353 PolarHBondContact O-N 3.22Å; P351-I354 HydrophobicContact CB-CG1 4Å; P351-I354 HydrophobicContact CG-CG1 4.14Å; P351-I354 PolarHBondContact O-N 2.79Å
352S80.2Confident91.8Very high88 Ų8836.7 Ų36.762%0.61523%0.231SC*.THydrogen-bonded Turntrans-64.7-31.1-17149.50000113.2K347 I354K347-S352 PolarHBondContact NZ-O 3.41Å; S352-I354 VanDerWaalsContact C-N 3.32Å; S352-I354 PolarHBondContact O-N 3.27Å
353D72.9Confident91.8Very high48 Ų4835.1 Ų35.126%0.25723%0.227SC..THydrogen-bonded Turntrans-71.6-18.8177.649.6-27.3000114.3Q195 P351 A355Q195-D353 PolarHBondContact NE2-OD2 3.03Å; P351-D353 VanDerWaalsContact C-N 3.28Å; P351-D353 WeakPolarHBondContact CB-OD1 3.42Å; P351-D353 PolarHBondContact O-N 3.22Å; D353-A355 PolarHBondContact O-N 3.11Å
354I83.6Confident91.9Very high19 Ų1936 Ų3610%0.09723%0.233CC..  trans-73.6117.6-177-59.3-54.7000110.4L323 L330 K347 P351 S352 V356L323-I354 HydrophobicContact CD1-CD1 4.49Å; L323-I354 HydrophobicContact CD1-CG1 3.96Å; L323-I354 HydrophobicContact CD2-CD1 3.58Å; L323-I354 HydrophobicContact CD2-CG1 3.81Å; L323-I354 HydrophobicContact CD2-CG2 3.91Å; L330-I354 HydrophobicContact CB-CG2 4.48Å; L330-I354 HydrophobicContact CD1-CG2 3.77Å; L330-I354 HydrophobicContact CG-CG2 3.84Å; K347-I354 PolarHBondContact NZ-O 3.36Å; K347-I354 VanDerWaalsContact NZ-O 3.11Å; P351-I354 HydrophobicContact CB-CG1 4Å; P351-I354 HydrophobicContact CG-CG1 4.14Å; P351-I354 PolarHBondContact O-N 2.79Å; S352-I354 VanDerWaalsContact C-N 3.32Å; S352-I354 PolarHBondContact O-N 3.27Å; I354-V356 PolarHBondContact O-N 3.21Å
355A88.7Confident92.1Very high9 Ų937.5 Ų37.57%0.07424%0.242CC..EExtended strand (participates in β ladder)trans-69.2124.517200000110.1W208 A329 L330 D353 F357 A376W208-A355 HydrophobicContact CB-CB 3.98Å; A329-A355 CarbonylContact C-O 3.58Å; A329-A355 WeakPolarHBondContact CA-O 3.19Å; A329-A355 HydrophobicContact CB-CB 4.23Å; L330-A355 PolarHBondContact N-O 3.07Å; D353-A355 PolarHBondContact O-N 3.11Å; A355-F357 HydrophobicContact CB-CE2 3.85Å; A355-A376 HydrophobicContact CB-CB 3.92Å
356V95Very high92.1Very high1 Ų136.4 Ų36.41%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-112.4129.5178178.90000109.5L330 I332 I343 K347 L350 I354 C375 A376L330-V356 HydrophobicContact CB-CG2 4.45Å; L330-V356 CarbonylContact O-C 3.54Å; L330-V356 WeakPolarHBondContact O-CA 3.45Å; I332-V356 HydrophobicContact CD1-CG1 4.08Å; I332-V356 HydrophobicContact CG1-CG1 3.55Å; I343-V356 HydrophobicContact CG2-CG1 4.22Å; K347-V356 HydrophobicContact CD-CB 4.16Å; K347-V356 HydrophobicContact CD-CG2 3.59Å; K347-V356 HydrophobicContact CG-CG2 4.42Å; L350-V356 HydrophobicContact CD1-CG2 3.72Å; I354-V356 PolarHBondContact O-N 3.21Å; V356-C375 CarbonylContact O-C 3.47Å; V356-C375 WeakPolarHBondContact O-CA 3.24Å; V356-C375 WeakPolarHBondContact O-CB 3.49Å; V356-A376 PolarHBondContact O-N 3.42Å
357F97.4Very high92.3Very high0 Ų036.1 Ų36.10%023%0.227CC..EExtended strand (participates in β ladder)trans-111.7127.5-178.7-72.7-100.9000110.8W208 P213 I215 A329 L330 I332 A355 V359 G377W208-F357 HydrophobicContact CB-CZ 4.34Å; W208-F357 AromaticContact CD1-CZ 3.81Å; W208-F357 HydrophobicContact CD2-CE1 4.4Å; W208-F357 AromaticContact CD2-CE2 3.76Å; W208-F357 HydrophobicContact CD2-CE2 3.76Å; W208-F357 AromaticContact CD2-CZ 3.35Å; W208-F357 HydrophobicContact CD2-CZ 3.35Å; W208-F357 AromaticContact CE2-CZ 3.45Å; W208-F357 VanDerWaalsContact CE2-CZ 3.45Å; W208-F357 AromaticContact CE3-CE2 3.78Å; W208-F357 HydrophobicContact CE3-CE2 3.78Å; W208-F357 AromaticContact CE3-CZ 3.85Å; W208-F357 HydrophobicContact CE3-CZ 3.85Å; W208-F357 HydrophobicContact CG-CE2 4.12Å; W208-F357 AromaticContact CG-CZ 3.58Å; W208-F357 HydrophobicContact CG-CZ 3.58Å; W208-F357 HydrophobicContact CH2-CZ 4.43Å; W208-F357 HydrophobicContact CZ2-CE1 4.4Å; W208-F357 HydrophobicContact CZ2-CZ 4.02Å; W208-F357 HydrophobicContact CZ3-CE2 4.25Å; W208-F357 HydrophobicContact CZ3-CZ 4.35Å; W208-F357 AromaticContact NE1-CZ 3.7Å; P213-F357 HydrophobicContact CB-CE1 3.98Å; P213-F357 HydrophobicContact CB-CZ 4.04Å; P213-F357 WeakPolarHBondContact O-CE1 3.42Å; I215-F357 HydrophobicContact CD1-CD1 4.03Å; I215-F357 HydrophobicContact CD1-CE1 4.07Å; I215-F357 HydrophobicContact CD1-CG 4.46Å; I215-F357 HydrophobicContact CG1-CD1 4.28Å; I215-F357 HydrophobicContact CG1-CE1 4.09Å; A329-F357 HydrophobicContact CB-CD2 4.18Å; A329-F357 HydrophobicContact CB-CE2 3.99Å; L330-F357 PolarHBondContact O-N 3.07Å; I332-F357 PolarHBondContact N-O 3.04Å; A355-F357 HydrophobicContact CB-CE2 3.85Å; F357-V359 HydrophobicContact CB-CG2 4.32Å; F357-G377 WeakPolarHBondContact CA-O 3.37Å
358A97.7Very high92.5Very high0 Ų035.6 Ų35.60%023%0.233CC..EExtended strand (participates in β ladder)trans-77.2126.1168.400000109.8S335 I343 V362 W370 G377 A378 G379S335-A358 VanDerWaalsContact OG-CA 3.24Å; S335-A358 WeakPolarHBondContact OG-CA 3.36Å; I343-A358 HydrophobicContact CD1-CB 4.16Å; A358-V362 HydrophobicContact CB-CG2 3.93Å; A358-W370 HydrophobicContact CB-CB 3.82Å; A358-W370 HydrophobicContact CB-CD2 3.71Å; A358-W370 HydrophobicContact CB-CE3 3.87Å; A358-W370 HydrophobicContact CB-CG 3.69Å; A358-G377 PolarHBondContact N-O 3.33Å; A358-A378 CarbonylContact O-C 3.57Å; A358-A378 WeakPolarHBondContact O-CA 3.31Å; A358-A378 WeakPolarHBondContact O-CB 3.45Å; A358-G379 PolarHBondContact O-N 2.91Å
359V97.7Very high92.8Very high9 Ų937 Ų376%0.05522%0.224CC..EExtended strand (participates in β ladder)trans-138.4130.8178.7-170.40000111.1I217 K331 I332 F333 S335 F357I217-V359 HydrophobicContact CD1-CG1 3.94Å; K331-V359 HydrophobicContact CB-CG2 4.15Å; K331-V359 HydrophobicContact CD-CB 4Å; K331-V359 HydrophobicContact CD-CG1 4.17Å; K331-V359 HydrophobicContact CD-CG2 3.73Å; K331-V359 HydrophobicContact CG-CB 3.81Å; K331-V359 HydrophobicContact CG-CG2 3.49Å; K331-V359 VanDerWaalsContact CG-CG2 3.49Å; I332-V359 PolarHBondContact O-N 3.4Å; I332-V359 VanDerWaalsContact O-O 3.13Å; F333-V359 HydrophobicContact CD2-CB 4.33Å; F333-V359 HydrophobicContact CD2-CG1 4.15Å; F333-V359 WeakPolarHBondContact CD2-O 3.49Å; S335-V359 PolarHBondContact N-O 3.23Å; S335-V359 PolarHBondContact OG-N 2.95Å; F357-V359 HydrophobicContact CB-CG2 4.32Å
360G95.5Very high93Very high21 Ų2133.4 Ų33.422%0.21620%0.202CC..SBendtrans98.5109.1-176.900000111.5S336S336-G360 WeakPolarHBondContact CB-O 3.33Å; S336-G360 PolarHBondContact N-O 3.25Å; S336-G360 PolarHBondContact OG-O 2.79Å
361G95.3Very high93.3Very high35 Ų3534 Ų3436%0.36121%0.205SC..SBendtrans77.821.5-179.600000115.4N366G361-N366 PolarHBondContact O-ND2 3.45Å
362V97.7Very high93.9Very high6 Ų637.6 Ų37.64%0.03622%0.221CC..  trans-87.7129.3174.6-174.10000109.6A358 N366 L367 A378 L380 F401A358-V362 HydrophobicContact CB-CG2 3.93Å; V362-N366 WeakPolarHBondContact CA-OD1 3.16Å; V362-L367 HydrophobicContact CG1-CD1 3.86Å; V362-A378 HydrophobicContact CB-CB 4.45Å; V362-A378 HydrophobicContact CG1-CB 3.87Å; V362-A378 HydrophobicContact CG2-CB 4.33Å; V362-L380 HydrophobicContact CB-CD2 4.15Å; V362-L380 HydrophobicContact CG1-CD2 3.91Å; V362-F401 HydrophobicContact CG1-CE1 4.44Å
363T98.1Very high94.6Very high26 Ų2633.8 Ų33.816%0.1620%0.195CC..  trans-127.8163.9177.879.40000109.5E365 N366 L367 F401T363-E365 WeakPolarHBondContact CB-OE2 3.32Å; T363-E365 PolarHBondContact O-N 3.45Å; T363-E365 PolarHBondContact OG1-N 2.88Å; T363-E365 PolarHBondContact OG1-OE2 3.32Å; T363-N366 PolarHBondContact N-OD1 2.89Å; T363-N366 PolarHBondContact O-N 3.5Å; T363-N366 PolarHBondContact O-OD1 2.94Å; T363-N366 PolarHBondContact OG1-N 3.37Å; T363-L367 PolarHBondContact O-N 3.39Å; T363-F401 VanDerWaalsContact C-CE1 3.41Å
364P98.1Very high95.5Very high20 Ų2033 Ų3313%0.1320%0.198CC..THydrogen-bonded Turntrans-55.9-34.4174.9-2636.7000112.7N366 A400 F401 A404P364-N366 PolarHBondContact O-N 3.06Å; P364-A400 HydrophobicContact CB-CB 4.3Å; P364-A400 HydrophobicContact CG-CB 3.93Å; P364-F401 HydrophobicContact CG-CD1 3.96Å; P364-F401 HydrophobicContact CG-CD2 4.18Å; P364-F401 HydrophobicContact CG-CE1 3.94Å; P364-F401 HydrophobicContact CG-CE2 4.16Å; P364-F401 HydrophobicContact CG-CG 4.09Å; P364-F401 HydrophobicContact CG-CZ 4.05Å; P364-A404 HydrophobicContact CB-CB 4.05Å; P364-A404 WeakPolarHBondContact O-CB 3.3Å
365E97.7Very high96Very high155 Ų15532.3 Ų32.372%0.72420%0.195SC*.THydrogen-bonded Turntrans-73.4-25.6-177.1-56.473.2-156.500113.4T363T363-E365 WeakPolarHBondContact CB-OE2 3.32Å; T363-E365 PolarHBondContact O-N 3.45Å; T363-E365 PolarHBondContact OG1-N 2.88Å; T363-E365 PolarHBondContact OG1-OE2 3.32Å
366N97.3Very high96.1Very high35 Ų3533.6 Ų33.619%0.18721%0.205CC..THydrogen-bonded Turntrans-110-4-177.976.319.2000114G361 V362 T363 P364 A368 Q369 W370G361-N366 PolarHBondContact O-ND2 3.45Å; V362-N366 WeakPolarHBondContact CA-OD1 3.16Å; T363-N366 PolarHBondContact N-OD1 2.89Å; T363-N366 PolarHBondContact O-N 3.5Å; T363-N366 PolarHBondContact O-OD1 2.94Å; T363-N366 PolarHBondContact OG1-N 3.37Å; P364-N366 PolarHBondContact O-N 3.06Å; N366-A368 VanDerWaalsContact C-N 3.3Å; N366-A368 PolarHBondContact O-N 2.9Å; N366-Q369 WeakPolarHBondContact O-CB 3.41Å; N366-Q369 PolarHBondContact O-N 3.18Å; N366-Q369 VanDerWaalsContact O-N 3.08Å; N366-W370 VanDerWaalsContact O-CD1 3.23Å; N366-W370 PolarHBondContact OD1-NE1 3.17Å
367L97.6Very high96Very high0 Ų033.5 Ų33.50%021%0.205CC..Hα-helixtrans-54.5-44.4-176.2-178.357.9000112.5L214 V362 T363 Q369 W370 I371 A378 F401 A404 Y405L214-L367 HydrophobicContact CD2-CD1 4.35Å; L214-L367 HydrophobicContact CD2-CD2 4.18Å; V362-L367 HydrophobicContact CG1-CD1 3.86Å; T363-L367 PolarHBondContact O-N 3.39Å; L367-Q369 PolarHBondContact O-N 3.41Å; L367-W370 WeakPolarHBondContact O-CB 3.28Å; L367-W370 PolarHBondContact O-N 2.98Å; L367-I371 HydrophobicContact CD1-CD1 4.4Å; L367-I371 HydrophobicContact CG-CG1 4.46Å; L367-I371 PolarHBondContact O-N 3.08Å; L367-A378 HydrophobicContact CD1-CB 3.74Å; L367-F401 HydrophobicContact CD2-CD1 4.45Å; L367-A404 HydrophobicContact CB-CB 4.44Å; L367-A404 HydrophobicContact CD2-CB 4.11Å; L367-Y405 HydrophobicContact CD2-CD2 4.34Å
368A97Very high96Very high42 Ų4233.5 Ų33.535%0.34721%0.205SC..Hα-helixtrans-55.8-37.4179.600000112.9N366 W370 I371 D372 A408N366-A368 VanDerWaalsContact C-N 3.3Å; N366-A368 PolarHBondContact O-N 2.9Å; A368-W370 PolarHBondContact O-N 2.92Å; A368-I371 PolarHBondContact O-N 3.07Å; A368-D372 WeakPolarHBondContact O-CB 3.35Å; A368-D372 VanDerWaalsContact O-CG 3.27Å; A368-D372 PolarHBondContact O-N 2.92Å; A368-A408 HydrophobicContact CB-CB 3.89Å
369Q97.6Very high96Very high113 Ų11333.6 Ų33.653%0.52821%0.206SC..Hα-helixtrans-63.8-30.9179.4-58.6178.5-2.800112.5P340 N366 L367 A373P340-Q369 HydrophobicContact CG-CB 4.17Å; N366-Q369 WeakPolarHBondContact O-CB 3.41Å; N366-Q369 PolarHBondContact O-N 3.18Å; N366-Q369 VanDerWaalsContact O-N 3.08Å; L367-Q369 PolarHBondContact O-N 3.41Å; Q369-A373 WeakPolarHBondContact O-CB 3.46Å; Q369-A373 PolarHBondContact O-N 3.08Å
370W97.2Very high96Very high10 Ų1033.2 Ų33.24%0.03820%0.204CC..Hα-helixtrans-77.7-39.8176.7-58.5108.2000111.6S335 G339 P340 I343 A358 N366 L367 A368 A373 G374 C375S335-W370 WeakPolarHBondContact O-CH2 3.31Å; G339-W370 VanDerWaalsContact C-CZ3 3.43Å; P340-W370 HydrophobicContact CB-CE3 4.2Å; P340-W370 HydrophobicContact CB-CZ3 4.28Å; P340-W370 HydrophobicContact CG-CD2 4.31Å; P340-W370 HydrophobicContact CG-CE3 3.93Å; P340-W370 HydrophobicContact CG-CH2 4.16Å; P340-W370 HydrophobicContact CG-CZ3 3.87Å; I343-W370 HydrophobicContact CD1-CE3 3.53Å; I343-W370 HydrophobicContact CD1-CZ3 3.72Å; I343-W370 HydrophobicContact CG1-CE3 4.44Å; I343-W370 HydrophobicContact CG1-CZ3 4.31Å; A358-W370 HydrophobicContact CB-CB 3.82Å; A358-W370 HydrophobicContact CB-CD2 3.71Å; A358-W370 HydrophobicContact CB-CE3 3.87Å; A358-W370 HydrophobicContact CB-CG 3.69Å; N366-W370 VanDerWaalsContact O-CD1 3.23Å; N366-W370 PolarHBondContact OD1-NE1 3.17Å; L367-W370 WeakPolarHBondContact O-CB 3.28Å; L367-W370 PolarHBondContact O-N 2.98Å; A368-W370 PolarHBondContact O-N 2.92Å; W370-A373 WeakPolarHBondContact O-CB 3.47Å; W370-A373 PolarHBondContact O-N 2.73Å; W370-G374 PolarHBondContact O-N 3.44Å; W370-C375 HydrophobicContact CB-CB 4.46Å; W370-C375 VanDerWaalsContact O-CB 3.25Å; W370-C375 WeakPolarHBondContact O-CB 3.2Å; W370-C375 PolarHBondContact O-N 3.25Å; W370-C375 VanDerWaalsContact O-N 3.12Å
371I95.6Very high96.1Very high26 Ų2633.3 Ų33.313%0.13321%0.205CC..Hα-helixtrans-60.9-47.9173.7-55.2-51.3000110L367 A368 A373 G374 Y405 A408 V409L367-I371 HydrophobicContact CD1-CD1 4.4Å; L367-I371 HydrophobicContact CG-CG1 4.46Å; L367-I371 PolarHBondContact O-N 3.08Å; A368-I371 PolarHBondContact O-N 3.07Å; I371-A373 PolarHBondContact O-N 3.21Å; I371-G374 WeakPolarHBondContact O-CA 3.24Å; I371-G374 PolarHBondContact O-N 2.66Å; I371-Y405 HydrophobicContact CD1-CD2 4.08Å; I371-Y405 HydrophobicContact CD1-CE2 3.77Å; I371-Y405 HydrophobicContact CG1-CE2 4.47Å; I371-A408 HydrophobicContact CB-CB 4.35Å; I371-A408 HydrophobicContact CG1-CB 4.07Å; I371-V409 HydrophobicContact CG2-CG1 4.23Å
372D94.6Very high96.1Very high126 Ų12635.1 Ų35.167%0.67421%0.211SC*.Hα-helixtrans-60-27.4176.3-71.9-18000113.4A368 G374A368-D372 WeakPolarHBondContact O-CB 3.35Å; A368-D372 VanDerWaalsContact O-CG 3.27Å; A368-D372 PolarHBondContact O-N 2.92Å; D372-G374 PolarHBondContact O-N 3Å
373A94.5Very high96Very high8 Ų836.9 Ų36.97%0.06622%0.221CC..THydrogen-bonded Turntrans-78.5-4.6174.800000114P340 I343 K344 Q369 W370 I371P340-A373 HydrophobicContact CB-CB 3.66Å; P340-A373 VanDerWaalsContact O-CB 3.27Å; P340-A373 WeakPolarHBondContact O-CB 3.34Å; I343-A373 HydrophobicContact CB-CB 4.24Å; I343-A373 HydrophobicContact CG2-CB 4.36Å; K344-A373 WeakPolarHBondContact CA-O 3.46Å; Q369-A373 WeakPolarHBondContact O-CB 3.46Å; Q369-A373 PolarHBondContact O-N 3.08Å; W370-A373 WeakPolarHBondContact O-CB 3.47Å; W370-A373 PolarHBondContact O-N 2.73Å; I371-A373 PolarHBondContact O-N 3.21Å
374G91.9Very high96Very high31 Ų3135.6 Ų35.632%0.3221%0.213SC..THydrogen-bonded Turntrans98.815.6177.800000114.5K347 W370 I371 D372K347-G374 WeakPolarHBondContact CE-O 3.43Å; W370-G374 PolarHBondContact O-N 3.44Å; I371-G374 WeakPolarHBondContact O-CA 3.24Å; I371-G374 PolarHBondContact O-N 2.66Å; D372-G374 PolarHBondContact O-N 3Å
375C93.8Very high96.1Very high6 Ų634.9 Ų34.94%0.04121%0.208CC..  trans-68.9140.1166.4-76.30000110.7I343 V356 W370 G377I343-C375 WeakPolarHBondContact CD1-SG 3.4Å; V356-C375 CarbonylContact O-C 3.47Å; V356-C375 WeakPolarHBondContact O-CA 3.24Å; V356-C375 WeakPolarHBondContact O-CB 3.49Å; W370-C375 HydrophobicContact CB-CB 4.46Å; W370-C375 VanDerWaalsContact O-CB 3.25Å; W370-C375 WeakPolarHBondContact O-CB 3.2Å; W370-C375 PolarHBondContact O-N 3.25Å; W370-C375 VanDerWaalsContact O-N 3.12Å; C375-G377 VanDerWaalsContact C-N 3.25Å; C375-G377 WeakPolarHBondContact CB-O 3.39Å
376A90.7Very high96.1Very high35 Ų3534.6 Ų34.629%0.28920%0.2SC..SBendtrans-66.7-34.8165.600000110.6P213 A355 V356 Y405P213-A376 WeakPolarHBondContact CG-O 3.43Å; A355-A376 HydrophobicContact CB-CB 3.92Å; V356-A376 PolarHBondContact O-N 3.42Å; A376-Y405 PolarHBondContact O-OH 2.66Å
377G93.9Very high96.1Very high0 Ų036.1 Ų36.10%022%0.217CC..EExtended strand (participates in β ladder)trans-179.7-143.9175.600000113.1P213 F357 A358 C375P213-G377 CarbonylContact O-C 3.23Å; P213-G377 WeakPolarHBondContact O-CA 3.21Å; F357-G377 WeakPolarHBondContact CA-O 3.37Å; A358-G377 PolarHBondContact N-O 3.33Å; C375-G377 VanDerWaalsContact C-N 3.25Å; C375-G377 WeakPolarHBondContact CB-O 3.39Å
378A97.4Very high96Very high0 Ų039.3 Ų39.30%025%0.25CS..EExtended strand (participates in β ladder)trans-148.1153.7-169.700000114.8P213 L214 I215 A358 V362 L367 L380P213-A378 PolarHBondContact O-N 3.06Å; L214-A378 CarbonylContact C-O 3.45Å; L214-A378 VanDerWaalsContact CA-O 3.29Å; L214-A378 WeakPolarHBondContact CA-O 3.33Å; L214-A378 HydrophobicContact CD2-CB 4.14Å; I215-A378 PolarHBondContact N-O 2.61Å; A358-A378 CarbonylContact O-C 3.57Å; A358-A378 WeakPolarHBondContact O-CA 3.31Å; A358-A378 WeakPolarHBondContact O-CB 3.45Å; V362-A378 HydrophobicContact CB-CB 4.45Å; V362-A378 HydrophobicContact CG1-CB 3.87Å; V362-A378 HydrophobicContact CG2-CB 4.33Å; L367-A378 HydrophobicContact CD1-CB 3.74Å; A378-L380 HydrophobicContact CB-CD2 3.82Å
379G97.4Very high96Very high2 Ų239 Ų392%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-102.8125.6168.800000110.6I215 A358I215-G379 WeakPolarHBondContact O-CA 3.24Å; A358-G379 PolarHBondContact O-N 2.91Å
380L98.1Very high96.1Very high1 Ų136.3 Ų36.31%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-116.1102.3-161.7-53.5179000110.7L214 I215 I217 F238 V362 A378 L384 F401L214-L380 HydrophobicContact CB-CD1 4.06Å; L214-L380 HydrophobicContact CD1-CD1 4.17Å; L214-L380 HydrophobicContact CD2-CD1 4.36Å; L214-L380 HydrophobicContact CG-CD1 4.44Å; I215-L380 PolarHBondContact O-N 2.93Å; I217-L380 WeakPolarHBondContact CB-O 3.37Å; I217-L380 PolarHBondContact N-O 3.28Å; F238-L380 HydrophobicContact CE1-CD1 3.76Å; F238-L380 HydrophobicContact CZ-CD1 3.63Å; V362-L380 HydrophobicContact CB-CD2 4.15Å; V362-L380 HydrophobicContact CG1-CD2 3.91Å; A378-L380 HydrophobicContact CB-CD2 3.82Å; L380-L384 HydrophobicContact CB-CB 3.97Å; L380-L384 HydrophobicContact CB-CD2 4.04Å; L380-F401 HydrophobicContact CB-CE2 4.49Å; L380-F401 HydrophobicContact CB-CZ 4.5Å; L380-F401 HydrophobicContact CD1-CB 3.79Å; L380-F401 HydrophobicContact CD1-CD1 3.57Å; L380-F401 HydrophobicContact CD1-CD2 3.77Å; L380-F401 HydrophobicContact CD1-CE1 3.99Å; L380-F401 HydrophobicContact CD1-CE2 4.18Å; L380-F401 HydrophobicContact CD1-CG 3.44Å; L380-F401 VanDerWaalsContact CD1-CG 3.44Å; L380-F401 HydrophobicContact CD1-CZ 4.27Å; L380-F401 HydrophobicContact CD2-CD1 3.79Å; L380-F401 HydrophobicContact CD2-CE1 3.45Å; L380-F401 VanDerWaalsContact CD2-CE1 3.45Å; L380-F401 HydrophobicContact CD2-CG 4.46Å; L380-F401 HydrophobicContact CD2-CZ 3.85Å; L380-F401 HydrophobicContact CG-CD1 4.3Å; L380-F401 HydrophobicContact CG-CE1 4.27Å; L380-F401 HydrophobicContact CG-CZ 4.44Å
381G96.1Very high96.1Very high23 Ų2338.1 Ų38.124%0.23725%0.247CC..  trans-95.6-112.2179.900000112.9D383 L384 Y385G381-D383 PolarHBondContact O-N 2.95Å; G381-L384 WeakPolarHBondContact O-CA 3.46Å; G381-L384 WeakPolarHBondContact O-CB 3.39Å; G381-L384 PolarHBondContact O-N 2.87Å; G381-Y385 PolarHBondContact O-N 3.45Å
382S95.3Very high96.3Very high72 Ų7243.4 Ų43.450%0.50327%0.271SS..THydrogen-bonded Turntrans-58.4-20.3-169.150.50000116.3Y385 R386S382-Y385 WeakPolarHBondContact CA-O 3.18Å; S382-R386 VanDerWaalsContact O-CG 3.24Å; S382-R386 WeakPolarHBondContact O-CG 3.47Å; S382-R386 PolarHBondContact O-NE 2.8Å
383D96.9Very high96.4Very high43 Ų4342.4 Ų42.423%0.2326%0.258CS..THydrogen-bonded Turntrans-83.1-24.7175.2-81.4-82.4000112.6G381 Q397 F401G381-D383 PolarHBondContact O-N 2.95Å; D383-Q397 WeakPolarHBondContact O-CG 3.32Å; D383-Q397 PolarHBondContact O-NE2 3.04Å; D383-F401 HydrophobicContact CB-CE2 4.18Å; D383-F401 HydrophobicContact CB-CZ 3.86Å
384L98.3Very high96.6Very high0 Ų042 Ų420%026%0.255CS..THydrogen-bonded Turntrans-87.8-52.6172.4179.968.4000111A216 F238 L380 G381 Q389 Q397 A398 F401A216-L384 HydrophobicContact CB-CD2 3.47Å; A216-L384 VanDerWaalsContact CB-CD2 3.47Å; F238-L384 HydrophobicContact CE1-CD2 4.42Å; F238-L384 HydrophobicContact CZ-CD1 4.47Å; F238-L384 HydrophobicContact CZ-CD2 4.43Å; L380-L384 HydrophobicContact CB-CB 3.97Å; L380-L384 HydrophobicContact CB-CD2 4.04Å; G381-L384 WeakPolarHBondContact O-CA 3.46Å; G381-L384 WeakPolarHBondContact O-CB 3.39Å; G381-L384 PolarHBondContact O-N 2.87Å; L384-Q389 PolarHBondContact O-NE2 3.46Å; L384-Q397 HydrophobicContact CD1-CB 4.2Å; L384-A398 HydrophobicContact CD1-CB 3.81Å; L384-F401 HydrophobicContact CB-CD2 4.38Å; L384-F401 HydrophobicContact CB-CE2 4.02Å; L384-F401 HydrophobicContact CD1-CD2 4.06Å; L384-F401 HydrophobicContact CD1-CE2 4.49Å
385Y98.5Very high97Very high5 Ų542.3 Ų42.32%0.0225%0.254CS..  trans-135.4132.3-174.4179.4-96.9000113.6L218 R219 I221 E225 H229 G381 S382 Q389L218-Y385 HydrophobicContact CB-CD1 4.04Å; L218-Y385 HydrophobicContact CB-CE1 4.39Å; L218-Y385 HydrophobicContact CB-CG 4.31Å; L218-Y385 HydrophobicContact CG-CD1 4.46Å; L218-Y385 HydrophobicContact CG-CG 4.23Å; R219-Y385 WeakPolarHBondContact O-CE1 3.49Å; I221-Y385 WeakPolarHBondContact CA-OH 3.35Å; I221-Y385 HydrophobicContact CB-CE1 4.01Å; I221-Y385 HydrophobicContact CD1-CE2 4.39Å; E225-Y385 PolarHBondContact OE1-OH 2.99Å; H229-Y385 AromaticContact CE1-CE2 3.76Å; H229-Y385 AromaticContact CG-CE2 3.94Å; H229-Y385 AromaticContact ND1-CD2 3.93Å; H229-Y385 AromaticContact ND1-CE2 3.7Å; G381-Y385 PolarHBondContact O-N 3.45Å; S382-Y385 WeakPolarHBondContact CA-O 3.18Å; Y385-Q389 HydrophobicContact CD2-CG 3.99Å; Y385-Q389 HydrophobicContact CE2-CG 4.11Å
386R97.8Very high97.2Very high149 Ų14947.7 Ų47.756%0.56228%0.279SS*.  trans-126.2137.5166.8-60.7-177.2-175.9164.31109.2S382 G388 Q389S382-R386 VanDerWaalsContact O-CG 3.24Å; S382-R386 WeakPolarHBondContact O-CG 3.47Å; S382-R386 PolarHBondContact O-NE 2.8Å; R386-G388 PolarHBondContact O-N 3.42Å; R386-Q389 VanDerWaalsContact O-CB 3.31Å; R386-Q389 WeakPolarHBondContact O-CB 3.5Å; R386-Q389 WeakPolarHBondContact O-CG 3.45Å; R386-Q389 PolarHBondContact O-N 3.24Å
387A97.2Very high97.6Very high66 Ų6647.2 Ų47.255%0.54527%0.271SS..THydrogen-bonded Turntrans-53.3131.1177.800000111.7
388G96Very high97.8Very high67 Ų6747.2 Ų47.269%0.69127%0.271SS*.THydrogen-bonded Turntrans81.15.4-178.500000115.5R386R386-G388 PolarHBondContact O-N 3.42Å
389Q97.5Very high97.9Very high35 Ų3549.7 Ų49.716%0.16429%0.291CS..  trans-75.1159.2170.281.1-179.126.300111.5H229 L384 Y385 R386 T394H229-Q389 PolarHBondContact CE1-O 3.04Å; H229-Q389 VanDerWaalsContact CE1-O 3.25Å; L384-Q389 PolarHBondContact O-NE2 3.46Å; Y385-Q389 HydrophobicContact CD2-CG 3.99Å; Y385-Q389 HydrophobicContact CE2-CG 4.11Å; R386-Q389 VanDerWaalsContact O-CB 3.31Å; R386-Q389 WeakPolarHBondContact O-CB 3.5Å; R386-Q389 WeakPolarHBondContact O-CG 3.45Å; R386-Q389 PolarHBondContact O-N 3.24Å; Q389-T394 PolarHBondContact NE2-OG1 3.13Å
390S98.3Very high97.9Very high58 Ų5851.1 Ų51.141%0.40630%0.303SS..  trans-74.9158.317790.60000112.7E392 R393 T394S390-E392 VanDerWaalsContact C-N 3.28Å; S390-E392 WeakPolarHBondContact CB-OE2 3.32Å; S390-E392 PolarHBondContact O-N 3.48Å; S390-E392 PolarHBondContact OG-N 3.42Å; S390-E392 PolarHBondContact OG-OE2 3.18Å; S390-R393 PolarHBondContact O-N 3.33Å; S390-R393 PolarHBondContact OG-N 2.73Å; S390-T394 PolarHBondContact O-N 3.21Å; S390-T394 PolarHBondContact O-OG1 3.06Å
391V98.6Very high97.9Very high47 Ų4751 Ų5129%0.28530%0.302SS..Hα-helixtrans-63.4-37.6176.1179.70000110.5A228 A232 R393 T394 A395A228-V391 HydrophobicContact CB-CG2 3.8Å; A232-V391 HydrophobicContact CB-CG1 3.73Å; V391-R393 VanDerWaalsContact C-N 3.33Å; V391-R393 PolarHBondContact O-N 3.33Å; V391-T394 WeakPolarHBondContact O-CA 3.27Å; V391-T394 VanDerWaalsContact O-CB 3.27Å; V391-T394 WeakPolarHBondContact O-CB 3.26Å; V391-T394 PolarHBondContact O-N 2.9Å; V391-A395 PolarHBondContact O-N 3.48Å
392E98.6Very high98Very high137 Ų13750.1 Ų50.164%0.6429%0.292SS*.Hα-helixtrans-61.6-40.9177.3-56.972.9-158.800111.6S390 T394 A395 Q396S390-E392 VanDerWaalsContact C-N 3.28Å; S390-E392 WeakPolarHBondContact CB-OE2 3.32Å; S390-E392 PolarHBondContact O-N 3.48Å; S390-E392 PolarHBondContact OG-N 3.42Å; S390-E392 PolarHBondContact OG-OE2 3.18Å; E392-T394 VanDerWaalsContact C-N 3.28Å; E392-T394 PolarHBondContact O-N 3.33Å; E392-A395 PolarHBondContact O-N 3.35Å; E392-Q396 WeakPolarHBondContact O-CB 3.34Å; E392-Q396 PolarHBondContact O-N 3.45Å
393R98.4Very high98.2Very high106 Ų10652.6 Ų52.640%0.429%0.294SS..Hα-helixtrans-63.9-38.2175.2-178.158.3179.2166.25.8111.2S390 V391 Q396 Q397S390-R393 PolarHBondContact O-N 3.33Å; S390-R393 PolarHBondContact OG-N 2.73Å; V391-R393 VanDerWaalsContact C-N 3.33Å; V391-R393 PolarHBondContact O-N 3.33Å; R393-Q396 PolarHBondContact O-N 3.31Å; R393-Q397 VanDerWaalsContact NH2-CD 3.32Å; R393-Q397 WeakPolarHBondContact O-CG 3.39Å; R393-Q397 PolarHBondContact O-N 3.44Å
394T98.7Very high98.2Very high0 Ų051.1 Ų51.10%029%0.288CS..Hα-helixtrans-63.4-48.6176.5-48.20000110.9H229 V233 Q389 S390 V391 E392 Q396 Q397 A398H229-T394 PolarHBondContact CE1-OG1 2.92Å; H229-T394 VanDerWaalsContact CE1-OG1 3.26Å; H229-T394 PolarHBondContact ND1-OG1 2.77Å; V233-T394 HydrophobicContact CG2-CG2 3.72Å; Q389-T394 PolarHBondContact NE2-OG1 3.13Å; S390-T394 PolarHBondContact O-N 3.21Å; S390-T394 PolarHBondContact O-OG1 3.06Å; V391-T394 WeakPolarHBondContact O-CA 3.27Å; V391-T394 VanDerWaalsContact O-CB 3.27Å; V391-T394 WeakPolarHBondContact O-CB 3.26Å; V391-T394 PolarHBondContact O-N 2.9Å; E392-T394 VanDerWaalsContact C-N 3.28Å; E392-T394 PolarHBondContact O-N 3.33Å; T394-Q396 VanDerWaalsContact C-N 3.33Å; T394-Q396 PolarHBondContact O-N 3.07Å; T394-Q397 PolarHBondContact O-N 3.4Å; T394-A398 VanDerWaalsContact O-CB 3.32Å; T394-A398 WeakPolarHBondContact O-CB 3.49Å; T394-A398 PolarHBondContact O-N 3.45Å
395A98.7Very high98.1Very high37 Ų3752.8 Ų52.831%0.30629%0.294SS..Hα-helixtrans-58.5-44.6176.400000111.7A232 V391 E392 A398 A399A232-A395 HydrophobicContact CB-CB 4.08Å; V391-A395 PolarHBondContact O-N 3.48Å; E392-A395 PolarHBondContact O-N 3.35Å; A395-A398 PolarHBondContact O-N 3.25Å; A395-A399 WeakPolarHBondContact O-CB 3.37Å; A395-A399 PolarHBondContact O-N 2.89Å
396Q98.6Very high97.9Very high118 Ų11859.6 Ų59.655%0.55132%0.32SS*.Hα-helixtrans-60.1-47.9178.1-173.3-173.519.500111.8E392 R393 T394 A399 A400E392-Q396 WeakPolarHBondContact O-CB 3.34Å; E392-Q396 PolarHBondContact O-N 3.45Å; R393-Q396 PolarHBondContact O-N 3.31Å; T394-Q396 VanDerWaalsContact C-N 3.33Å; T394-Q396 PolarHBondContact O-N 3.07Å; Q396-A399 PolarHBondContact O-N 3.25Å; Q396-A400 PolarHBondContact O-N 3.31Å
397Q98.5Very high97.7Very high25 Ų2557.9 Ų57.912%0.11732%0.318CS..Hα-helixtrans-68.7-39.7179.8-66.5-63.488.400111.5D383 L384 R393 T394 A399 A400 F401D383-Q397 WeakPolarHBondContact O-CG 3.32Å; D383-Q397 PolarHBondContact O-NE2 3.04Å; L384-Q397 HydrophobicContact CD1-CB 4.2Å; R393-Q397 VanDerWaalsContact NH2-CD 3.32Å; R393-Q397 WeakPolarHBondContact O-CG 3.39Å; R393-Q397 PolarHBondContact O-N 3.44Å; T394-Q397 PolarHBondContact O-N 3.4Å; Q397-A399 PolarHBondContact O-N 3.23Å; Q397-A400 WeakPolarHBondContact O-CB 3.47Å; Q397-A400 PolarHBondContact O-N 3.45Å; Q397-F401 WeakPolarHBondContact O-CD2 3.36Å; Q397-F401 PolarHBondContact O-N 2.8Å
398A98.7Very high97.4Very high0 Ų055.7 Ų55.70%030%0.3CS..Hα-helixtrans-58.8-48.2175.600000111.2V233 A236 F238 L384 T394 A395 A400 F401 V402V233-A398 HydrophobicContact CG2-CB 4.42Å; A236-A398 HydrophobicContact CB-CB 3.52Å; F238-A398 HydrophobicContact CD2-CB 4.27Å; F238-A398 HydrophobicContact CE2-CB 3.86Å; L384-A398 HydrophobicContact CD1-CB 3.81Å; T394-A398 VanDerWaalsContact O-CB 3.32Å; T394-A398 WeakPolarHBondContact O-CB 3.49Å; T394-A398 PolarHBondContact O-N 3.45Å; A395-A398 PolarHBondContact O-N 3.25Å; A398-A400 VanDerWaalsContact C-N 3.31Å; A398-A400 PolarHBondContact O-N 3.37Å; A398-F401 PolarHBondContact O-N 3.17Å; A398-V402 VanDerWaalsContact O-CG2 3.24Å; A398-V402 WeakPolarHBondContact O-CG2 3.3Å; A398-V402 PolarHBondContact O-N 2.8Å
399A98.6Very high96.7Very high52 Ų5256.2 Ų56.243%0.4329%0.289SS..Hα-helixtrans-61.4-38.4176.400000112.6A395 Q396 Q397 V402 K403A395-A399 WeakPolarHBondContact O-CB 3.37Å; A395-A399 PolarHBondContact O-N 2.89Å; Q396-A399 PolarHBondContact O-N 3.25Å; Q397-A399 PolarHBondContact O-N 3.23Å; A399-V402 PolarHBondContact O-N 3.33Å; A399-K403 VanDerWaalsContact O-CB 3.32Å; A399-K403 WeakPolarHBondContact O-CB 3.36Å; A399-K403 PolarHBondContact O-N 3.33Å
400A98.6Very high95.5Very high32 Ų3264.9 Ų64.926%0.26433%0.33SS..Hα-helixtrans-63-42.7176.200000112.1P364 Q396 Q397 A398 K403 A404P364-A400 HydrophobicContact CB-CB 4.3Å; P364-A400 HydrophobicContact CG-CB 3.93Å; Q396-A400 PolarHBondContact O-N 3.31Å; Q397-A400 WeakPolarHBondContact O-CB 3.47Å; Q397-A400 PolarHBondContact O-N 3.45Å; A398-A400 VanDerWaalsContact C-N 3.31Å; A398-A400 PolarHBondContact O-N 3.37Å; A400-K403 PolarHBondContact O-N 3.44Å; A400-A404 WeakPolarHBondContact O-CB 3.44Å; A400-A404 PolarHBondContact O-N 2.96Å
401F98.6Very high95.4Very high0 Ų065.3 Ų65.30%033%0.326CS..Hα-helixtrans-67.3-43.4176.2-83.4-68.3000113.1L214 F238 V362 T363 P364 L367 L380 D383 L384 Q397 A398 K403 A404 Y405L214-F401 HydrophobicContact CD1-CB 4.11Å; F238-F401 HydrophobicContact CZ-CB 4.15Å; V362-F401 HydrophobicContact CG1-CE1 4.44Å; T363-F401 VanDerWaalsContact C-CE1 3.41Å; P364-F401 HydrophobicContact CG-CD1 3.96Å; P364-F401 HydrophobicContact CG-CD2 4.18Å; P364-F401 HydrophobicContact CG-CE1 3.94Å; P364-F401 HydrophobicContact CG-CE2 4.16Å; P364-F401 HydrophobicContact CG-CG 4.09Å; P364-F401 HydrophobicContact CG-CZ 4.05Å; L367-F401 HydrophobicContact CD2-CD1 4.45Å; L380-F401 HydrophobicContact CB-CE2 4.49Å; L380-F401 HydrophobicContact CB-CZ 4.5Å; L380-F401 HydrophobicContact CD1-CB 3.79Å; L380-F401 HydrophobicContact CD1-CD1 3.57Å; L380-F401 HydrophobicContact CD1-CD2 3.77Å; L380-F401 HydrophobicContact CD1-CE1 3.99Å; L380-F401 HydrophobicContact CD1-CE2 4.18Å; L380-F401 HydrophobicContact CD1-CG 3.44Å; L380-F401 VanDerWaalsContact CD1-CG 3.44Å; L380-F401 HydrophobicContact CD1-CZ 4.27Å; L380-F401 HydrophobicContact CD2-CD1 3.79Å; L380-F401 HydrophobicContact CD2-CE1 3.45Å; L380-F401 VanDerWaalsContact CD2-CE1 3.45Å; L380-F401 HydrophobicContact CD2-CG 4.46Å; L380-F401 HydrophobicContact CD2-CZ 3.85Å; L380-F401 HydrophobicContact CG-CD1 4.3Å; L380-F401 HydrophobicContact CG-CE1 4.27Å; L380-F401 HydrophobicContact CG-CZ 4.44Å; D383-F401 HydrophobicContact CB-CE2 4.18Å; D383-F401 HydrophobicContact CB-CZ 3.86Å; L384-F401 HydrophobicContact CB-CD2 4.38Å; L384-F401 HydrophobicContact CB-CE2 4.02Å; L384-F401 HydrophobicContact CD1-CD2 4.06Å; L384-F401 HydrophobicContact CD1-CE2 4.49Å; Q397-F401 WeakPolarHBondContact O-CD2 3.36Å; Q397-F401 PolarHBondContact O-N 2.8Å; A398-F401 PolarHBondContact O-N 3.17Å; F401-K403 VanDerWaalsContact C-N 3.28Å; F401-K403 PolarHBondContact O-N 3.05Å; F401-A404 PolarHBondContact O-N 3.06Å; F401-Y405 WeakPolarHBondContact O-CB 3.49Å; F401-Y405 PolarHBondContact O-N 3.31Å
402V98.1Very high95.2Very high4 Ų466.2 Ų66.22%0.02433%0.329CS..Hα-helixtrans-59.2-44.4176.1172.50000110.2L212 A236 F238 A398 A399 R406L212-V402 HydrophobicContact CD2-CG2 3.63Å; A236-V402 HydrophobicContact CB-CG2 4.45Å; A236-V402 VanDerWaalsContact O-CG2 3.29Å; A236-V402 WeakPolarHBondContact O-CG2 3.4Å; F238-V402 HydrophobicContact CD2-CG2 3.88Å; F238-V402 HydrophobicContact CE2-CG2 3.64Å; A398-V402 VanDerWaalsContact O-CG2 3.24Å; A398-V402 WeakPolarHBondContact O-CG2 3.3Å; A398-V402 PolarHBondContact O-N 2.8Å; A399-V402 PolarHBondContact O-N 3.33Å; V402-R406 VanDerWaalsContact O-CG 3.32Å; V402-R406 WeakPolarHBondContact O-CG 3.32Å; V402-R406 PolarHBondContact O-N 2.89Å
403K98Very high95Very high124 Ų12462.3 Ų62.354%0.53931%0.311SS..Hα-helixtrans-61.1-52.5175.9-177.5-175.4169.1-171.70111.2A399 A400 F401 Y405 R406 E407A399-K403 VanDerWaalsContact O-CB 3.32Å; A399-K403 WeakPolarHBondContact O-CB 3.36Å; A399-K403 PolarHBondContact O-N 3.33Å; A400-K403 PolarHBondContact O-N 3.44Å; F401-K403 VanDerWaalsContact C-N 3.28Å; F401-K403 PolarHBondContact O-N 3.05Å; K403-Y405 VanDerWaalsContact C-N 3.27Å; K403-Y405 PolarHBondContact O-N 3.23Å; K403-R406 PolarHBondContact O-N 3.44Å; K403-R406 VanDerWaalsContact O-N 3.17Å; K403-E407 WeakPolarHBondContact CE-OE1 3.32Å; K403-E407 HydrophobicContact CG-CG 4.49Å; K403-E407 IonicContact NZ-OE1 3.64Å; K403-E407 WeakPolarHBondContact O-CG 3.38Å; K403-E407 PolarHBondContact O-N 3.49Å
404A97.9Very high94.8Very high12 Ų1259.7 Ų59.710%0.09931%0.306CS..Hα-helixtrans-58.7-38.8-179.300000112.4P364 L367 A400 F401 E407 A408P364-A404 HydrophobicContact CB-CB 4.05Å; P364-A404 WeakPolarHBondContact O-CB 3.3Å; L367-A404 HydrophobicContact CB-CB 4.44Å; L367-A404 HydrophobicContact CD2-CB 4.11Å; A400-A404 WeakPolarHBondContact O-CB 3.44Å; A400-A404 PolarHBondContact O-N 2.96Å; F401-A404 PolarHBondContact O-N 3.06Å; A404-E407 PolarHBondContact O-N 3.22Å; A404-A408 WeakPolarHBondContact O-CB 3.3Å; A404-A408 PolarHBondContact O-N 2.85Å
405Y96.4Very high94.6Very high34 Ų3463.4 Ų63.413%0.13333%0.325CS..Hα-helixtrans-65.5-47.5176.3-176.8-94.8000111.7L212 P213 L214 L367 I371 A376 F401 K403 E407 A408 V409L212-Y405 HydrophobicContact CD1-CD1 3.47Å; L212-Y405 VanDerWaalsContact CD1-CD1 3.47Å; L212-Y405 HydrophobicContact CD1-CE1 4.11Å; L212-Y405 HydrophobicContact CD1-CG 3.99Å; P213-Y405 VanDerWaalsContact CD-CZ 3.43Å; P213-Y405 WeakPolarHBondContact CD-OH 3.36Å; P213-Y405 HydrophobicContact CG-CE1 4.05Å; P213-Y405 HydrophobicContact CG-CE2 3.59Å; P213-Y405 WeakPolarHBondContact CG-OH 3.29Å; L214-Y405 HydrophobicContact CD1-CG 4.39Å; L214-Y405 HydrophobicContact CD2-CD2 3.98Å; L214-Y405 HydrophobicContact CD2-CG 4.43Å; L214-Y405 HydrophobicContact CG-CD2 4.36Å; L214-Y405 HydrophobicContact CG-CG 4.39Å; L367-Y405 HydrophobicContact CD2-CD2 4.34Å; I371-Y405 HydrophobicContact CD1-CD2 4.08Å; I371-Y405 HydrophobicContact CD1-CE2 3.77Å; I371-Y405 HydrophobicContact CG1-CE2 4.47Å; A376-Y405 PolarHBondContact O-OH 2.66Å; F401-Y405 WeakPolarHBondContact O-CB 3.49Å; F401-Y405 PolarHBondContact O-N 3.31Å; K403-Y405 VanDerWaalsContact C-N 3.27Å; K403-Y405 PolarHBondContact O-N 3.23Å; Y405-E407 VanDerWaalsContact C-N 3.27Å; Y405-E407 PolarHBondContact O-N 2.88Å; Y405-A408 PolarHBondContact O-N 3.45Å; Y405-V409 HydrophobicContact CE1-CG1 3.92Å; Y405-V409 HydrophobicContact CE1-CG2 4.18Å; Y405-V409 HydrophobicContact CE2-CG1 4.05Å; Y405-V409 WeakPolarHBondContact O-CG2 3.3Å; Y405-V409 PolarHBondContact O-N 3.33Å
406R93.5Very high94.3Very high148 Ų14865.2 Ų65.256%0.55833%0.327SS*.Hα-helixtrans-61.1-36.2178.3-73175.5-178.8168.34.3112.5V402 K403 Q410V402-R406 VanDerWaalsContact O-CG 3.32Å; V402-R406 WeakPolarHBondContact O-CG 3.32Å; V402-R406 PolarHBondContact O-N 2.89Å; K403-R406 PolarHBondContact O-N 3.44Å; K403-R406 VanDerWaalsContact O-N 3.17Å; R406-Q410 WeakPolarHBondContact O-CG 3.22Å
407E94.8Very high94Very high114 Ų11461.4 Ų61.453%0.53331%0.31SS..Hα-helixtrans-71.2-30.3175.2-71.3174.9161.600112.3K403 A404 Y405K403-E407 WeakPolarHBondContact CE-OE1 3.32Å; K403-E407 HydrophobicContact CG-CG 4.49Å; K403-E407 IonicContact NZ-OE1 3.64Å; K403-E407 WeakPolarHBondContact O-CG 3.38Å; K403-E407 PolarHBondContact O-N 3.49Å; A404-E407 PolarHBondContact O-N 3.22Å; Y405-E407 VanDerWaalsContact C-N 3.27Å; Y405-E407 PolarHBondContact O-N 2.88Å
408A89.6Confident93.6Very high19 Ų1964.2 Ų64.216%0.15733%0.325CS..Hα-helixtrans-78.6-19.8-179.800000114.5A368 I371 A404 Y405A368-A408 HydrophobicContact CB-CB 3.89Å; I371-A408 HydrophobicContact CB-CB 4.35Å; I371-A408 HydrophobicContact CG1-CB 4.07Å; A404-A408 WeakPolarHBondContact O-CB 3.3Å; A404-A408 PolarHBondContact O-N 2.85Å; Y405-A408 PolarHBondContact O-N 3.45Å
409V82.8Confident93.2Very high78 Ų7869.6 Ų69.647%0.47335%0.352SS..  trans-1060.7-178.3-58.80000114I371 Y405I371-V409 HydrophobicContact CG2-CG1 4.23Å; Y405-V409 HydrophobicContact CE1-CG1 3.92Å; Y405-V409 HydrophobicContact CE1-CG2 4.18Å; Y405-V409 HydrophobicContact CE2-CG1 4.05Å; Y405-V409 WeakPolarHBondContact O-CG2 3.3Å; Y405-V409 PolarHBondContact O-N 3.33Å
410Q71.6Confident92.7Very high218 Ų21871.2 Ų71.2100%1.01935%0.345SS*.  trans-83.90168.6-78177.119.100110.1R406R406-Q410 WeakPolarHBondContact O-CG 3.22Å

Retrieved 410 of 410 residues in 129.4 ms (Link to these results)

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