A0A087WZX6_HUMAN Loading...

ATP binding cassette subfamily A member 7

AlphaFold DB , UniProt , Accession A0A087WZX6, Species HUMAN (Homo sapiens, Human), Gene ABCA7, Length 280 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
1R50.3Low75.4Confident302 Ų30299.8 Ų99.8100%1.1453%0.527SS*.  0120.40-77.7-176.9170.9177.1-2.6106.3P3R1-P3 WeakPolarHBondContact O-CD 3.44Å
2E63.3Low77Confident156 Ų156102.6 Ų102.673%0.72953%0.527SS*.  trans-69.9118.5-172.7-72.6179.2158.200110.8S4 A5E2-S4 PolarHBondContact O-N 3.08Å; E2-A5 PolarHBondContact O-N 3.49Å
3P70.1Confident78.2Confident88 Ų8894.7 Ų94.757%0.57149%0.486SS*.Hα-helixtrans-62-33.4-179.522.4-30.5000111.9R1 A5 A6 H7R1-P3 WeakPolarHBondContact O-CD 3.44Å; P3-A5 VanDerWaalsContact C-N 3.32Å; P3-A5 PolarHBondContact O-N 3.39Å; P3-A6 WeakPolarHBondContact O-CB 3.44Å; P3-A6 PolarHBondContact O-N 3.34Å; P3-A6 VanDerWaalsContact O-N 3.08Å; P3-H7 PolarHBondContact O-CD2 3.32Å; P3-H7 PolarHBondContact O-N 3.22Å; P3-H7 VanDerWaalsContact O-N 3.15Å
4S72.1Confident79.2Confident87 Ų8790 Ų9061%0.60847%0.465SS*.Hα-helixtrans-58-40.2-177.9-41.60000113.4E2 A6 H7 L8E2-S4 PolarHBondContact O-N 3.08Å; S4-A6 VanDerWaalsContact C-N 3.34Å; S4-A6 PolarHBondContact O-N 3.02Å; S4-H7 PolarHBondContact O-N 3.46Å; S4-L8 PolarHBondContact O-N 3.27Å
5A74.8Confident79.8Confident59 Ų5990.7 Ų90.749%0.48847%0.465SS..Hα-helixtrans-67.4-35.4178.400000112.2E2 P3E2-A5 PolarHBondContact O-N 3.49Å; P3-A5 VanDerWaalsContact C-N 3.32Å; P3-A5 PolarHBondContact O-N 3.39Å
6A75.2Confident80.1Confident45 Ų4590.2 Ų90.237%0.37247%0.472SS..Hα-helixtrans-66.2-41.8175.600000111.1P3 S4 L8 S9 M10P3-A6 WeakPolarHBondContact O-CB 3.44Å; P3-A6 PolarHBondContact O-N 3.34Å; P3-A6 VanDerWaalsContact O-N 3.08Å; S4-A6 VanDerWaalsContact C-N 3.34Å; S4-A6 PolarHBondContact O-N 3.02Å; A6-L8 VanDerWaalsContact C-N 3.25Å; A6-L8 PolarHBondContact O-N 3.15Å; A6-S9 PolarHBondContact O-N 2.79Å; A6-S9 PolarHBondContact O-OG 3.09Å; A6-M10 HydrophobicContact CB-CE 4.4Å; A6-M10 VanDerWaalsContact O-CG 3.32Å; A6-M10 WeakPolarHBondContact O-CG 3.37Å; A6-M10 PolarHBondContact O-N 3.05Å
7H77.6Confident80.2Confident123 Ų12388.5 Ų88.557%0.56946%0.464SS*.Hα-helixtrans-62.2-31.6-178.9-74.6-126.9000113.1P3 S4 S9 M10P3-H7 PolarHBondContact O-CD2 3.32Å; P3-H7 PolarHBondContact O-N 3.22Å; P3-H7 VanDerWaalsContact O-N 3.15Å; S4-H7 PolarHBondContact O-N 3.46Å; H7-S9 VanDerWaalsContact C-N 3.26Å; H7-S9 PolarHBondContact O-N 3.28Å; H7-M10 VanDerWaalsContact CA-CE 3.49Å; H7-M10 HydrophobicContact CB-CE 4.18Å; H7-M10 VanDerWaalsContact CD2-CE 3.45Å; H7-M10 WeakPolarHBondContact CD2-CE 3.33Å; H7-M10 PolarHBondContact O-N 2.96Å
8L78.4Confident80.2Confident139 Ų13987.2 Ų87.273%0.72847%0.468SS*.Hα-helixtrans-65.5-30.9174.6-67.6170.3000112.5S4 A6 R36S4-L8 PolarHBondContact O-N 3.27Å; A6-L8 VanDerWaalsContact C-N 3.25Å; A6-L8 PolarHBondContact O-N 3.15Å; L8-R36 PolarHBondContact O-NH1 3.44Å
9S83.3Confident80.8Confident51 Ų5183.9 Ų83.936%0.35745%0.45SS..THydrogen-bonded Turntrans-88.83.4179.268.20000114.8A6 H7 P85 A86 V87A6-S9 PolarHBondContact O-N 2.79Å; A6-S9 PolarHBondContact O-OG 3.09Å; H7-S9 VanDerWaalsContact C-N 3.26Å; H7-S9 PolarHBondContact O-N 3.28Å; S9-P85 WeakPolarHBondContact O-CB 3.46Å; S9-A86 PolarHBondContact O-N 2.71Å; S9-A86 VanDerWaalsContact O-N 3.09Å; S9-V87 PolarHBondContact O-N 3.43Å
10M91.6Very high81.4Confident48 Ų4885.8 Ų85.824%0.23645%0.454CS..EExtended strand (participates in β ladder)trans-112.7130.4-174.9-68.4-174.4-58.800112.6A6 H7 R36 V87 F89A6-M10 HydrophobicContact CB-CE 4.4Å; A6-M10 VanDerWaalsContact O-CG 3.32Å; A6-M10 WeakPolarHBondContact O-CG 3.37Å; A6-M10 PolarHBondContact O-N 3.05Å; H7-M10 VanDerWaalsContact CA-CE 3.49Å; H7-M10 HydrophobicContact CB-CE 4.18Å; H7-M10 VanDerWaalsContact CD2-CE 3.45Å; H7-M10 WeakPolarHBondContact CD2-CE 3.33Å; H7-M10 PolarHBondContact O-N 2.96Å; M10-R36 VanDerWaalsContact O-CZ 3.25Å; M10-R36 PolarHBondContact O-NH1 2.85Å; M10-R36 PolarHBondContact O-NH2 3.44Å; M10-V87 CarbonylContact C-O 3.54Å; M10-V87 VanDerWaalsContact CA-O 3.29Å; M10-V87 WeakPolarHBondContact CA-O 3.36Å; M10-V87 HydrophobicContact CG-CB 4.42Å; M10-F89 HydrophobicContact CB-CE2 4.31Å; M10-F89 HydrophobicContact CG-CE2 3.97Å; M10-F89 HydrophobicContact SD-CD2 4.46Å; M10-F89 HydrophobicContact SD-CE2 3.51Å; M10-F89 VanDerWaalsContact SD-CE2 3.51Å; M10-F89 HydrophobicContact SD-CZ 4.14Å
11G93.3Very high82Confident0 Ų087.9 Ų87.90%046%0.461CS..EExtended strand (participates in β ladder)trans-91.9145.8166.200000111.2A80 V87 V88 F89G11-A80 VanDerWaalsContact CA-O 3.24Å; G11-A80 WeakPolarHBondContact CA-O 3.44Å; G11-V87 PolarHBondContact N-O 3.2Å; G11-V88 WeakPolarHBondContact O-CA 3.49Å; G11-F89 PolarHBondContact O-N 3.23Å
12Y93.6Very high84.2Confident133 Ų13381.2 Ų81.252%0.52245%0.448SS..EExtended strand (participates in β ladder)trans-140.6129.9175.9177.7-121.8000111.1P14 F89 D91Y12-P14 HydrophobicContact CE1-CB 3.79Å; Y12-P14 HydrophobicContact CE1-CG 4.29Å; Y12-F89 CarbonylContact C-O 3.59Å; Y12-F89 VanDerWaalsContact CA-O 3.32Å; Y12-F89 WeakPolarHBondContact CA-O 3.29Å; Y12-F89 HydrophobicContact CD2-CB 3.78Å; Y12-D91 HydrophobicContact CE2-CB 4.32Å
13C93.8Very high85.8Confident0 Ų076.3 Ų76.30%043%0.426CS..EExtended strand (participates in β ladder)trans-116.5112.4169.4-174.80000108.6A80 F89 L90 D91C13-A80 HydrophobicContact CB-CB 3.84Å; C13-F89 PolarHBondContact N-O 2.76Å; C13-L90 HydrophobicContact CB-CD2 3.47Å; C13-L90 VanDerWaalsContact CB-CD2 3.47Å; C13-D91 PolarHBondContact O-N 2.9Å
14P91.3Very high87.1Confident29 Ų2973 Ų7319%0.18840%0.404CS..  trans-72.4165.8175.926.9-30.3000112.8Y12 S16 A18 R73Y12-P14 HydrophobicContact CE1-CB 3.79Å; Y12-P14 HydrophobicContact CE1-CG 4.29Å; P14-S16 VanDerWaalsContact C-N 3.29Å; P14-S16 WeakPolarHBondContact CG-O 3.37Å; P14-S16 PolarHBondContact O-N 3.27Å; P14-A18 HydrophobicContact CG-CB 4.02Å; P14-R73 PolarHBondContact O-NH1 3.03Å
15Q88Confident88.3Confident100 Ų10068.9 Ų68.947%0.46738%0.376SS..SBendtrans-63.6-31.4173.9-177.7178.927.800112.9R73 D91 E92Q15-R73 PolarHBondContact O-NH1 3.11Å; Q15-R73 PolarHBondContact O-NH2 3.05Å; Q15-D91 WeakPolarHBondContact CA-O 3.49Å; Q15-D91 HydrophobicContact CB-CB 4.46Å; Q15-D91 WeakPolarHBondContact CB-OD2 3.37Å; Q15-D91 PolarHBondContact N-O 3.11Å; Q15-D91 PolarHBondContact N-OD2 3.41Å; Q15-E92 HydrophobicContact CB-CB 4.34Å; Q15-E92 HydrophobicContact CG-CB 3.91Å; Q15-E92 HydrophobicContact CG-CG 4.47Å
16S84.6Confident89.4Confident83 Ų8369.8 Ų69.858%0.5837%0.366SS*.SBendtrans-87.2145.7173.555.70000111.8P14 A18P14-S16 VanDerWaalsContact C-N 3.29Å; P14-S16 WeakPolarHBondContact CG-O 3.37Å; P14-S16 PolarHBondContact O-N 3.27Å; S16-A18 PolarHBondContact O-N 2.93Å
17D81.5Confident90.4Very high61 Ų6171.8 Ų71.833%0.32637%0.368SS..  trans-69.797.2176.6-68-28.3000110.1I19 K72 R73D17-I19 HydrophobicContact CB-CG1 4.29Å; D17-I19 PolarHBondContact O-N 2.79Å; D17-K72 HydrophobicContact CB-CB 4.48Å; D17-K72 WeakPolarHBondContact OD2-CB 3.41Å; D17-R73 IonicContact OD1-CZ 3.56Å; D17-R73 IonicContact OD1-NE 2.8Å
18A81.4Confident91.4Very high65 Ų6566 Ų6654%0.53734%0.341SS..  trans-80.461.3175.800000111.6P14 S16P14-A18 HydrophobicContact CG-CB 4.02Å; S16-A18 PolarHBondContact O-N 2.93Å
19I90.4Very high92.2Very high25 Ų2559.4 Ų59.413%0.12831%0.307CS..  trans-114149.8-177.765.5169.5000112.3D17 A64 K72 L75D17-I19 HydrophobicContact CB-CG1 4.29Å; D17-I19 PolarHBondContact O-N 2.79Å; I19-A64 HydrophobicContact CD1-CB 4.28Å; I19-K72 HydrophobicContact CD1-CB 3.91Å; I19-K72 HydrophobicContact CD1-CD 3.51Å; I19-K72 HydrophobicContact CD1-CG 3.48Å; I19-K72 VanDerWaalsContact CD1-CG 3.48Å; I19-L75 HydrophobicContact CG2-CD2 4.29Å
20F94.3Very high92.9Very high121 Ų12158.8 Ų58.853%0.53130%0.298SS..  trans-92.2113.4172.3-58.3-76.9000109.8L22 L23 H28 L31F20-L22 PolarHBondContact O-N 3.24Å; F20-L22 VanDerWaalsContact O-N 3.11Å; F20-L23 HydrophobicContact CB-CB 4.16Å; F20-L23 HydrophobicContact CB-CD1 3.87Å; F20-L23 HydrophobicContact CB-CG 3.92Å; F20-L23 HydrophobicContact CD2-CD1 3.83Å; F20-L23 HydrophobicContact CG-CD1 4.05Å; F20-L23 PolarHBondContact O-N 3.15Å; F20-L23 VanDerWaalsContact O-N 3.15Å; F20-H28 AromaticContact CD2-CD2 3.94Å; F20-H28 AromaticContact CD2-NE2 3.86Å; F20-H28 PolarHBondContact N-NE2 3.2Å; F20-H28 PolarHBondContact O-CE1 3.28Å; F20-H28 PolarHBondContact O-NE2 3.01Å; F20-L31 HydrophobicContact CE2-CD2 4.37Å
21E93.8Very high93.1Very high130 Ų13059.7 Ų59.761%0.60730%0.304SS*.THydrogen-bonded Turntrans-61-30.5-170.7-60-167.6149.600114.6G65E21-G65 WeakPolarHBondContact O-CA 3.32Å; E21-G65 PolarHBondContact O-N 3.15Å
22L95.9Very high93.1Very high163 Ų16361.9 Ų61.985%0.85332%0.315SS*.THydrogen-bonded Turntrans-82.7-21.6-177.4-61.3177.6000113.6F20F20-L22 PolarHBondContact O-N 3.24Å; F20-L22 VanDerWaalsContact O-N 3.11Å
23L97.1Very high93.2Very high52 Ų5255.5 Ų55.527%0.27229%0.29SS..SBendtrans-83.1145.4179.5-66.2-176.4000110.4F20 E27 H28 L31 A64F20-L23 HydrophobicContact CB-CB 4.16Å; F20-L23 HydrophobicContact CB-CD1 3.87Å; F20-L23 HydrophobicContact CB-CG 3.92Å; F20-L23 HydrophobicContact CD2-CD1 3.83Å; F20-L23 HydrophobicContact CG-CD1 4.05Å; F20-L23 PolarHBondContact O-N 3.15Å; F20-L23 VanDerWaalsContact O-N 3.15Å; L23-E27 HydrophobicContact CB-CB 4.32Å; L23-E27 HydrophobicContact CD2-CB 4.32Å; L23-H28 WeakPolarHBondContact CB-CE1 3.31Å; L23-H28 WeakPolarHBondContact CB-ND1 3.39Å; L23-H28 PolarHBondContact O-CE1 3.26Å; L23-H28 VanDerWaalsContact O-CE1 3.25Å; L23-L31 HydrophobicContact CD1-CD2 4.13Å; L23-A64 VanDerWaalsContact O-CB 3.29Å; L23-A64 WeakPolarHBondContact O-CB 3.3Å; L23-A64 PolarHBondContact O-N 3.4Å
24T97.6Very high93.2Very high20 Ų2060.8 Ų60.812%0.12331%0.31CS..BIsolated β-bridgetrans-73.8159.8170.9650000111.2R26 E27 H28 A60 D61 R62T24-R26 PolarHBondContact O-N 3.31Å; T24-E27 WeakPolarHBondContact CB-OE2 3.38Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.45Å; T24-E27 PolarHBondContact N-OE2 2.99Å; T24-E27 PolarHBondContact O-N 2.88Å; T24-E27 WeakPolarHBondContact OG1-CB 3.42Å; T24-E27 WeakPolarHBondContact OG1-CG 3.07Å; T24-E27 PolarHBondContact OG1-N 3.3Å; T24-E27 PolarHBondContact OG1-OE2 3.27Å; T24-H28 PolarHBondContact O-N 3.06Å; T24-H28 PolarHBondContact O-ND1 3.47Å; T24-A60 WeakPolarHBondContact CB-O 3.24Å; T24-D61 WeakPolarHBondContact CG2-O 3.32Å; T24-R62 WeakPolarHBondContact CA-O 3.41Å
25G96.3Very high93.3Very high0 Ų065.7 Ų65.70%033%0.334CS..Hα-helixtrans-58-34.6176.700000112.8L29 A60G25-L29 PolarHBondContact O-N 3.44Å; G25-A60 PolarHBondContact N-O 3.09Å; G25-A60 VanDerWaalsContact N-O 3.13Å
26R97.6Very high93.3Very high78 Ų7865.4 Ų65.429%0.29433%0.328SS..Hα-helixtrans-63.8-52.5173.6-175-175.1-53.7-76.5-2.7111.8T24 H28 L29 E30 L51 A60 D61T24-R26 PolarHBondContact O-N 3.31Å; R26-H28 VanDerWaalsContact C-N 3.26Å; R26-H28 PolarHBondContact O-N 3.4Å; R26-L29 PolarHBondContact O-N 3.23Å; R26-L29 VanDerWaalsContact O-N 3.15Å; R26-E30 WeakPolarHBondContact CD-OE1 3.15Å; R26-E30 HydrophobicContact CG-CG 4.29Å; R26-E30 WeakPolarHBondContact CG-OE1 3.45Å; R26-E30 WeakPolarHBondContact O-CG 3.39Å; R26-E30 PolarHBondContact O-N 2.94Å; R26-L51 HydrophobicContact CB-CD1 4.22Å; R26-A60 PolarHBondContact N-O 3.33Å; R26-D61 IonicContact CZ-OD1 3.45Å; R26-D61 IonicContact NE-OD1 3.18Å; R26-D61 PolarHBondContact NE-OD1 2.89Å; R26-D61 IonicContact NH2-OD1 3.24Å; R26-D61 PolarHBondContact NH2-OD1 3.28Å; R26-D61 IonicContact NH2-OD2 2.79Å; R26-D61 PolarHBondContact NH2-OD2 3.33Å
27E97.8Very high93.6Very high87 Ų8764.3 Ų64.341%0.40733%0.33SS..Hα-helixtrans-60-37-178.5-72.2163149.200112.1L23 T24 E30 L31L23-E27 HydrophobicContact CB-CB 4.32Å; L23-E27 HydrophobicContact CD2-CB 4.32Å; T24-E27 WeakPolarHBondContact CB-OE2 3.38Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.45Å; T24-E27 PolarHBondContact N-OE2 2.99Å; T24-E27 PolarHBondContact O-N 2.88Å; T24-E27 WeakPolarHBondContact OG1-CB 3.42Å; T24-E27 WeakPolarHBondContact OG1-CG 3.07Å; T24-E27 PolarHBondContact OG1-N 3.3Å; T24-E27 PolarHBondContact OG1-OE2 3.27Å; E27-E30 PolarHBondContact O-N 2.8Å; E27-L31 WeakPolarHBondContact O-CB 3.22Å; E27-L31 PolarHBondContact O-N 3.02Å
28H97.1Very high94.1Very high2 Ų262.4 Ų62.41%0.00932%0.321CS..Hα-helixtrans-57.5-50.6174.1-79.787000112.5F20 L23 T24 R26 L31 L32 A64 L75 L79F20-H28 AromaticContact CD2-CD2 3.94Å; F20-H28 AromaticContact CD2-NE2 3.86Å; F20-H28 PolarHBondContact N-NE2 3.2Å; F20-H28 PolarHBondContact O-CE1 3.28Å; F20-H28 PolarHBondContact O-NE2 3.01Å; L23-H28 WeakPolarHBondContact CB-CE1 3.31Å; L23-H28 WeakPolarHBondContact CB-ND1 3.39Å; L23-H28 PolarHBondContact O-CE1 3.26Å; L23-H28 VanDerWaalsContact O-CE1 3.25Å; T24-H28 PolarHBondContact O-N 3.06Å; T24-H28 PolarHBondContact O-ND1 3.47Å; R26-H28 VanDerWaalsContact C-N 3.26Å; R26-H28 PolarHBondContact O-N 3.4Å; H28-L31 PolarHBondContact O-N 3.05Å; H28-L32 PolarHBondContact O-N 3.45Å; H28-A64 VanDerWaalsContact CE1-CB 3.45Å; H28-A64 WeakPolarHBondContact CE1-CB 3.29Å; H28-L75 HydrophobicContact CB-CD1 4.47Å; H28-L79 HydrophobicContact CB-CD1 4.4Å; H28-L79 HydrophobicContact CB-CD2 3.79Å
29L96.6Very high94.7Very high0 Ų062.8 Ų62.80%032%0.318CS..Hα-helixtrans-71-37.4-176.9-69167.3000111.4G25 R26 L32 A33 A47 L51 L75 A78 L79 V82G25-L29 PolarHBondContact O-N 3.44Å; R26-L29 PolarHBondContact O-N 3.23Å; R26-L29 VanDerWaalsContact O-N 3.15Å; L29-L32 PolarHBondContact O-N 3.29Å; L29-A33 WeakPolarHBondContact O-CB 3.36Å; L29-A33 PolarHBondContact O-N 3.25Å; L29-A47 HydrophobicContact CB-CB 3.82Å; L29-A47 WeakPolarHBondContact CD1-O 3.42Å; L29-L51 HydrophobicContact CD1-CB 4.45Å; L29-L51 HydrophobicContact CD1-CD1 4.37Å; L29-L51 HydrophobicContact CD1-CD2 3.69Å; L29-L51 HydrophobicContact CD1-CG 3.48Å; L29-L51 VanDerWaalsContact CD1-CG 3.48Å; L29-L75 HydrophobicContact CG-CD1 4.48Å; L29-A78 HydrophobicContact CD2-CB 3.88Å; L29-L79 HydrophobicContact CD2-CD2 3.68Å; L29-L79 HydrophobicContact CD2-CG 4.2Å; L29-L79 HydrophobicContact CG-CD2 4.13Å; L29-V82 HydrophobicContact CB-CG2 4.38Å; L29-V82 HydrophobicContact CD2-CG2 3.19Å; L29-V82 HydrophobicContact CG-CG2 4.35Å
30E97.3Very high95Very high38 Ų3867.4 Ų67.418%0.17834%0.339CS..Hα-helixtrans-64.4-41.8174.5-69.3-175.4-174.500111.8R26 E27 A33 R34 V43 A47R26-E30 WeakPolarHBondContact CD-OE1 3.15Å; R26-E30 HydrophobicContact CG-CG 4.29Å; R26-E30 WeakPolarHBondContact CG-OE1 3.45Å; R26-E30 WeakPolarHBondContact O-CG 3.39Å; R26-E30 PolarHBondContact O-N 2.94Å; E27-E30 PolarHBondContact O-N 2.8Å; E30-A33 PolarHBondContact O-N 2.81Å; E30-R34 WeakPolarHBondContact O-CG 3.18Å; E30-R34 PolarHBondContact O-N 3.28Å; E30-R34 VanDerWaalsContact O-N 3.1Å; E30-R34 IonicContact OE2-NH1 3.92Å; E30-V43 HydrophobicContact CB-CG1 3.78Å; E30-V43 HydrophobicContact CG-CG1 3.89Å; E30-A47 HydrophobicContact CG-CB 3.55Å
31L95.8Very high95.1Very high67 Ų6766.3 Ų66.335%0.35135%0.352SS..Hα-helixtrans-59.5-52.3174.7176.465000110.8F20 L23 E27 H28 A33 R34 L35F20-L31 HydrophobicContact CE2-CD2 4.37Å; L23-L31 HydrophobicContact CD1-CD2 4.13Å; E27-L31 WeakPolarHBondContact O-CB 3.22Å; E27-L31 PolarHBondContact O-N 3.02Å; H28-L31 PolarHBondContact O-N 3.05Å; L31-A33 VanDerWaalsContact C-N 3.33Å; L31-A33 PolarHBondContact O-N 2.85Å; L31-R34 PolarHBondContact O-N 3.47Å; L31-L35 HydrophobicContact CD1-CD1 4.38Å; L31-L35 HydrophobicContact CG-CD1 4.24Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 3.36Å
32L93.7Very high95.2Very high45 Ų4564.8 Ų64.824%0.23635%0.345CS..Hα-helixtrans-67.1-33.5-179.9-107.673000112.8H28 L29 L35 R36 L79 V82H28-L32 PolarHBondContact O-N 3.45Å; L29-L32 PolarHBondContact O-N 3.29Å; L32-L35 HydrophobicContact CD1-CD1 4.47Å; L32-L35 PolarHBondContact O-N 2.91Å; L32-R36 WeakPolarHBondContact O-CB 3.36Å; L32-R36 VanDerWaalsContact O-CG 3.22Å; L32-R36 WeakPolarHBondContact O-CG 3.5Å; L32-R36 PolarHBondContact O-N 2.76Å; L32-L79 HydrophobicContact CB-CD2 4.16Å; L32-L79 HydrophobicContact CD1-CD2 4.35Å; L32-L79 HydrophobicContact CD2-CB 3.81Å; L32-L79 HydrophobicContact CD2-CD2 3.8Å; L32-L79 HydrophobicContact CD2-CG 4.3Å; L32-L79 HydrophobicContact CG-CD2 4.33Å; L32-V82 HydrophobicContact CB-CG1 4.37Å
33A94.9Very high95.2Very high0 Ų057.1 Ų57.10%031%0.305CS..Hα-helixtrans-62.5-44.7176.800000110.9L29 E30 L31 R36 G37 V38 V43 T46 V82L29-A33 WeakPolarHBondContact O-CB 3.36Å; L29-A33 PolarHBondContact O-N 3.25Å; E30-A33 PolarHBondContact O-N 2.81Å; L31-A33 VanDerWaalsContact C-N 3.33Å; L31-A33 PolarHBondContact O-N 2.85Å; A33-R36 PolarHBondContact O-N 3.19Å; A33-G37 PolarHBondContact O-N 3.45Å; A33-V38 HydrophobicContact CB-CB 4.07Å; A33-V38 HydrophobicContact CB-CG2 4Å; A33-V38 VanDerWaalsContact O-CB 3.3Å; A33-V38 WeakPolarHBondContact O-CB 3.46Å; A33-V38 WeakPolarHBondContact O-CG2 3.49Å; A33-V38 PolarHBondContact O-N 3.1Å; A33-V43 HydrophobicContact CB-CG1 4.27Å; A33-V43 HydrophobicContact CB-CG2 4.41Å; A33-T46 HydrophobicContact CB-CG2 4.41Å; A33-V82 VanDerWaalsContact CA-CG1 3.43Å; A33-V82 HydrophobicContact CB-CG1 3.73Å
34R95.1Very high95.2Very high110 Ų11057.5 Ų57.542%0.41532%0.316SS..Hα-helixtrans-62.1-45174.2-69.9178.9-176.8108.9-0.2111.8E30 L31 R36 G37 E40 V43E30-R34 WeakPolarHBondContact O-CG 3.18Å; E30-R34 PolarHBondContact O-N 3.28Å; E30-R34 VanDerWaalsContact O-N 3.1Å; E30-R34 IonicContact OE2-NH1 3.92Å; L31-R34 PolarHBondContact O-N 3.47Å; R34-R36 VanDerWaalsContact C-N 3.25Å; R34-R36 PolarHBondContact O-N 2.87Å; R34-G37 PolarHBondContact O-N 3.37Å; R34-E40 IonicContact CZ-OE1 3.42Å; R34-E40 IonicContact CZ-OE2 3.85Å; R34-E40 IonicContact NE-OE1 3.2Å; R34-E40 PolarHBondContact NE-OE1 2.88Å; R34-E40 IonicContact NE-OE2 2.77Å; R34-E40 PolarHBondContact NE-OE2 3.1Å; R34-E40 IonicContact NH2-OE1 3.3Å; R34-E40 PolarHBondContact NH2-OE1 3.43Å; R34-E40 IonicContact NH2-OE2 3.76Å; R34-V43 HydrophobicContact CG-CG1 4.21Å; R34-V43 HydrophobicContact CG-CG2 3.83Å
35L91.8Very high95.1Very high133 Ų13363 Ų6370%0.69634%0.34SS*.Hα-helixtrans-63.3-30.9177.6-69.1174.3000113L31 L32 G37L31-L35 HydrophobicContact CD1-CD1 4.38Å; L31-L35 HydrophobicContact CG-CD1 4.24Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 3.36Å; L32-L35 HydrophobicContact CD1-CD1 4.47Å; L32-L35 PolarHBondContact O-N 2.91Å; L35-G37 VanDerWaalsContact C-N 3.27Å
36R88.9Confident95.1Very high93 Ų9364.4 Ų64.435%0.35135%0.349SS..THydrogen-bonded Turntrans-81.3-1.7175.1-71.3-72.5-175.8157.81.1113.7L8 M10 L32 A33 R34L8-R36 PolarHBondContact O-NH1 3.44Å; M10-R36 VanDerWaalsContact O-CZ 3.25Å; M10-R36 PolarHBondContact O-NH1 2.85Å; M10-R36 PolarHBondContact O-NH2 3.44Å; L32-R36 WeakPolarHBondContact O-CB 3.36Å; L32-R36 VanDerWaalsContact O-CG 3.22Å; L32-R36 WeakPolarHBondContact O-CG 3.5Å; L32-R36 PolarHBondContact O-N 2.76Å; A33-R36 PolarHBondContact O-N 3.19Å; R34-R36 VanDerWaalsContact C-N 3.25Å; R34-R36 PolarHBondContact O-N 2.87Å
37G90.2Very high95Very high60 Ų6060.7 Ų60.762%0.61934%0.335SS*.THydrogen-bonded Turntrans80.720.1177.600000114.6A33 R34 L35A33-G37 PolarHBondContact O-N 3.45Å; R34-G37 PolarHBondContact O-N 3.37Å; L35-G37 VanDerWaalsContact C-N 3.27Å
38V92.2Very high95Very high21 Ų2157.8 Ų57.813%0.12733%0.329CS..  trans-62.5130.5171177.60000108.7A33 E40 Q42 V43A33-V38 HydrophobicContact CB-CB 4.07Å; A33-V38 HydrophobicContact CB-CG2 4Å; A33-V38 VanDerWaalsContact O-CB 3.3Å; A33-V38 WeakPolarHBondContact O-CB 3.46Å; A33-V38 WeakPolarHBondContact O-CG2 3.49Å; A33-V38 PolarHBondContact O-N 3.1Å; V38-E40 PolarHBondContact O-N 3.45Å; V38-Q42 HydrophobicContact CG1-CB 3.95Å; V38-V43 HydrophobicContact CB-CG2 4.37Å; V38-V43 HydrophobicContact CG1-CG2 4.19Å
39P94.8Very high94.8Very high73 Ų7360.2 Ų60.247%0.47435%0.345SS..  trans-56.3137.1178.2-25.334.1000111.6A41 Q42 V43P39-A41 PolarHBondContact O-N 2.97Å; P39-Q42 WeakPolarHBondContact O-CA 3.44Å; P39-Q42 PolarHBondContact O-N 3.13Å; P39-V43 PolarHBondContact O-N 2.83Å
40E95.5Very high94.8Very high122 Ų12260.7 Ų60.757%0.5735%0.351SS*.Hα-helixtrans-52.6-37.6-173.8-172.862.3-156.500112.9R34 V38 Q42 V43R34-E40 IonicContact CZ-OE1 3.42Å; R34-E40 IonicContact CZ-OE2 3.85Å; R34-E40 IonicContact NE-OE1 3.2Å; R34-E40 PolarHBondContact NE-OE1 2.88Å; R34-E40 IonicContact NE-OE2 2.77Å; R34-E40 PolarHBondContact NE-OE2 3.1Å; R34-E40 IonicContact NH2-OE1 3.3Å; R34-E40 PolarHBondContact NH2-OE1 3.43Å; R34-E40 IonicContact NH2-OE2 3.76Å; V38-E40 PolarHBondContact O-N 3.45Å; E40-Q42 PolarHBondContact O-N 2.79Å; E40-Q42 VanDerWaalsContact O-N 3.15Å; E40-V43 PolarHBondContact O-N 3.44Å
41A96.9Very high94.7Very high99 Ų9959 Ų5982%0.81834%0.343SS*.Hα-helixtrans-61.5-22.2176.900000114.3P39P39-A41 PolarHBondContact O-N 2.97Å
42Q96Very high94.7Very high98 Ų9858.5 Ų58.546%0.45835%0.348SS..Hα-helixtrans-105.1-7.6-178.6-61.8179.730.400112.9V38 P39 E40 A44 Q45 T46V38-Q42 HydrophobicContact CG1-CB 3.95Å; P39-Q42 WeakPolarHBondContact O-CA 3.44Å; P39-Q42 PolarHBondContact O-N 3.13Å; E40-Q42 PolarHBondContact O-N 2.79Å; E40-Q42 VanDerWaalsContact O-N 3.15Å; Q42-A44 PolarHBondContact O-N 3.01Å; Q42-Q45 PolarHBondContact O-N 2.84Å; Q42-T46 WeakPolarHBondContact O-CB 3.42Å; Q42-T46 PolarHBondContact O-N 2.67Å; Q42-T46 PolarHBondContact O-OG1 3.16Å
43V96.8Very high94.7Very high1 Ų160.6 Ų60.61%0.00635%0.353CS..Hα-helixtrans-59.3-51.6-174.8167.50000111.3E30 A33 R34 V38 P39 E40 Q45 T46 A47E30-V43 HydrophobicContact CB-CG1 3.78Å; E30-V43 HydrophobicContact CG-CG1 3.89Å; A33-V43 HydrophobicContact CB-CG1 4.27Å; A33-V43 HydrophobicContact CB-CG2 4.41Å; R34-V43 HydrophobicContact CG-CG1 4.21Å; R34-V43 HydrophobicContact CG-CG2 3.83Å; V38-V43 HydrophobicContact CB-CG2 4.37Å; V38-V43 HydrophobicContact CG1-CG2 4.19Å; P39-V43 PolarHBondContact O-N 2.83Å; E40-V43 PolarHBondContact O-N 3.44Å; V43-Q45 VanDerWaalsContact C-N 3.31Å; V43-Q45 PolarHBondContact O-N 2.76Å; V43-T46 PolarHBondContact O-N 3.25Å; V43-A47 PolarHBondContact O-N 2.86Å
44A96.3Very high94.7Very high61 Ų6160.7 Ų60.750%0.50435%0.354SS..Hα-helixtrans-61.9-38.8-179.700000112.4Q42 G48Q42-A44 PolarHBondContact O-N 3.01Å; A44-G48 PolarHBondContact O-N 3.17Å
45Q96.1Very high94.6Very high135 Ų13557.2 Ų57.263%0.63135%0.352SS*.Hα-helixtrans-64.8-46.6175.7-175.7-179.110.800110.9Q42 V43 A47 G48 S49Q42-Q45 PolarHBondContact O-N 2.84Å; V43-Q45 VanDerWaalsContact C-N 3.31Å; V43-Q45 PolarHBondContact O-N 2.76Å; Q45-A47 VanDerWaalsContact C-N 3.35Å; Q45-A47 PolarHBondContact O-N 2.98Å; Q45-G48 PolarHBondContact O-N 2.88Å; Q45-S49 WeakPolarHBondContact O-CB 3.45Å; Q45-S49 PolarHBondContact O-N 3.36Å; Q45-S49 PolarHBondContact O-OG 3.4Å
46T95.4Very high94.8Very high29 Ų2950.9 Ų50.918%0.17832%0.319CS..Hα-helixtrans-60.6-44.7179.1-57.20000111.1A33 Q42 V43 S49 G50 V82A33-T46 HydrophobicContact CB-CG2 4.41Å; Q42-T46 WeakPolarHBondContact O-CB 3.42Å; Q42-T46 PolarHBondContact O-N 2.67Å; Q42-T46 PolarHBondContact O-OG1 3.16Å; V43-T46 PolarHBondContact O-N 3.25Å; T46-S49 PolarHBondContact O-N 3.3Å; T46-G50 PolarHBondContact O-N 2.9Å; T46-V82 HydrophobicContact CG2-CG1 4.41Å
47A96.5Very high95.1Very high0 Ų049.5 Ų49.50%032%0.323CS..Hα-helixtrans-61.6-47.6175.700000111.6L29 E30 V43 Q45 S49 G50 L51L29-A47 HydrophobicContact CB-CB 3.82Å; L29-A47 WeakPolarHBondContact CD1-O 3.42Å; E30-A47 HydrophobicContact CG-CB 3.55Å; V43-A47 PolarHBondContact O-N 2.86Å; Q45-A47 VanDerWaalsContact C-N 3.35Å; Q45-A47 PolarHBondContact O-N 2.98Å; A47-S49 PolarHBondContact O-N 3.03Å; A47-G50 PolarHBondContact O-N 2.57Å; A47-L51 WeakPolarHBondContact O-CG 3.41Å; A47-L51 PolarHBondContact O-N 3Å
48G96.4Very high95.3Very high27 Ų2757.5 Ų57.528%0.27834%0.335SS..Hα-helixtrans-59.7-45177.400000112.8A44 Q45 L51 A52A44-G48 PolarHBondContact O-N 3.17Å; Q45-G48 PolarHBondContact O-N 2.88Å; G48-L51 PolarHBondContact O-N 3.17Å; G48-A52 WeakPolarHBondContact O-CB 3.48Å; G48-A52 PolarHBondContact O-N 3.46Å
49S94.5Very high95.4Very high52 Ų5260.4 Ų60.436%0.36434%0.344SS..Hα-helixtrans-64.2-42.1175.8-65.50000112.1Q45 T46 A47 A52 R53Q45-S49 WeakPolarHBondContact O-CB 3.45Å; Q45-S49 PolarHBondContact O-N 3.36Å; Q45-S49 PolarHBondContact O-OG 3.4Å; T46-S49 PolarHBondContact O-N 3.3Å; A47-S49 PolarHBondContact O-N 3.03Å; S49-A52 PolarHBondContact O-N 3.25Å; S49-R53 WeakPolarHBondContact O-CB 3.36Å; S49-R53 VanDerWaalsContact O-CG 3.25Å; S49-R53 WeakPolarHBondContact O-CG 3.41Å; S49-R53 PolarHBondContact O-N 3.14Å
50G94.8Very high95.5Very high11 Ų1157 Ų5711%0.11332%0.322CS..Hα-helixtrans-60-46.4176.300000112.7T46 A47 A52 R53 L54T46-G50 PolarHBondContact O-N 2.9Å; A47-G50 PolarHBondContact O-N 2.57Å; G50-A52 PolarHBondContact O-N 2.77Å; G50-R53 PolarHBondContact O-N 3.04Å; G50-L54 PolarHBondContact O-N 2.89Å
51L96.2Very high95.5Very high3 Ų356.2 Ų56.22%0.01632%0.322CS..Hα-helixtrans-61.6-43.2175.2-69.2165000111.9R26 L29 A47 G48 L54 G55 L56 A60R26-L51 HydrophobicContact CB-CD1 4.22Å; L29-L51 HydrophobicContact CD1-CB 4.45Å; L29-L51 HydrophobicContact CD1-CD1 4.37Å; L29-L51 HydrophobicContact CD1-CD2 3.69Å; L29-L51 HydrophobicContact CD1-CG 3.48Å; L29-L51 VanDerWaalsContact CD1-CG 3.48Å; A47-L51 WeakPolarHBondContact O-CG 3.41Å; A47-L51 PolarHBondContact O-N 3Å; G48-L51 PolarHBondContact O-N 3.17Å; L51-L54 CarbonylContact O-C 3.51Å; L51-L54 PolarHBondContact O-N 3.46Å; L51-G55 PolarHBondContact O-N 2.86Å; L51-L56 HydrophobicContact CB-CB 4.45Å; L51-L56 HydrophobicContact CD2-CB 3.77Å; L51-L56 HydrophobicContact CD2-CD1 4.47Å; L51-L56 PolarHBondContact O-N 3.25Å; L51-A60 HydrophobicContact CD1-CB 3.58Å
52A95.3Very high95.5Very high56 Ų5658 Ų5846%0.46331%0.308SS..Hα-helixtrans-65.2-44.7-179.700000111.9G48 S49 G50 L54 G55 S57G48-A52 WeakPolarHBondContact O-CB 3.48Å; G48-A52 PolarHBondContact O-N 3.46Å; S49-A52 PolarHBondContact O-N 3.25Å; G50-A52 PolarHBondContact O-N 2.77Å; A52-L54 PolarHBondContact O-N 3.37Å; A52-G55 PolarHBondContact O-N 2.94Å; A52-G55 VanDerWaalsContact O-N 3.07Å; A52-S57 WeakPolarHBondContact CA-OG 3.35Å
53R93.4Very high95.5Very high89 Ų8956.2 Ų56.234%0.33630%0.304SS..Hα-helixtrans-55.7-33.8177.5-75.2174.5-166.9-83.13.7112.4S49 G50 S108 E115S49-R53 WeakPolarHBondContact O-CB 3.36Å; S49-R53 VanDerWaalsContact O-CG 3.25Å; S49-R53 WeakPolarHBondContact O-CG 3.41Å; S49-R53 PolarHBondContact O-N 3.14Å; G50-R53 PolarHBondContact O-N 3.04Å; R53-S108 PolarHBondContact O-OG 3.28Å; R53-E115 IonicContact CZ-OE1 3.68Å; R53-E115 VanDerWaalsContact NH1-CD 3.27Å; R53-E115 IonicContact NH1-OE1 3.98Å; R53-E115 PolarHBondContact NH1-OE1 3.37Å; R53-E115 IonicContact NH1-OE2 2.93Å; R53-E115 PolarHBondContact NH1-OE2 3Å; R53-E115 IonicContact NH2-OE1 2.77Å
54L94.8Very high95.5Very high2 Ų256.1 Ų56.11%0.0130%0.304CS..THydrogen-bonded Turntrans-103.69-177.2-84.5-79.6000113G50 L51 A52 L56 K74 T77 A78 L81 F104 L105G50-L54 PolarHBondContact O-N 2.89Å; L51-L54 CarbonylContact O-C 3.51Å; L51-L54 PolarHBondContact O-N 3.46Å; A52-L54 PolarHBondContact O-N 3.37Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 HydrophobicContact CB-CD1 4.31Å; L54-L56 HydrophobicContact CB-CG 4.43Å; L54-L56 PolarHBondContact O-N 3.44Å; L54-K74 HydrophobicContact CB-CB 4.44Å; L54-K74 HydrophobicContact CD1-CB 4.02Å; L54-K74 HydrophobicContact CD1-CG 4.22Å; L54-K74 WeakPolarHBondContact CD1-O 3.47Å; L54-K74 WeakPolarHBondContact CG-O 3.5Å; L54-T77 HydrophobicContact CD1-CG2 4.31Å; L54-A78 HydrophobicContact CB-CB 4.25Å; L54-A78 HydrophobicContact CG-CB 3.94Å; L54-L81 HydrophobicContact CD2-CD1 4.04Å; L54-F104 VanDerWaalsContact C-CZ 3.48Å; L54-F104 WeakPolarHBondContact O-CE1 3.19Å; L54-L105 HydrophobicContact CD1-CD1 3.43Å; L54-L105 VanDerWaalsContact CD1-CD1 3.43Å
55G94.3Very high95.4Very high37 Ų3754.5 Ų54.538%0.38129%0.293SS..THydrogen-bonded Turntrans66.627.6174.300000114.1L51 A52L51-G55 PolarHBondContact O-N 2.86Å; A52-G55 PolarHBondContact O-N 2.94Å; A52-G55 VanDerWaalsContact O-N 3.07Å
56L95.9Very high95.3Very high0 Ų052.9 Ų52.90%029%0.292CS..  trans-101.63.3-176.1-67174.5000113.7L51 L54 W58 Y59 A60 Y67 N71 K74 L75L51-L56 HydrophobicContact CB-CB 4.45Å; L51-L56 HydrophobicContact CD2-CB 3.77Å; L51-L56 HydrophobicContact CD2-CD1 4.47Å; L51-L56 PolarHBondContact O-N 3.25Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 HydrophobicContact CB-CD1 4.31Å; L54-L56 HydrophobicContact CB-CG 4.43Å; L54-L56 PolarHBondContact O-N 3.44Å; L56-W58 VanDerWaalsContact C-N 3.26Å; L56-W58 PolarHBondContact O-N 2.97Å; L56-W58 VanDerWaalsContact O-N 3.13Å; L56-Y59 CarbonylContact O-C 3.6Å; L56-Y59 PolarHBondContact O-N 3Å; L56-A60 PolarHBondContact O-N 3.29Å; L56-A60 VanDerWaalsContact O-N 3.08Å; L56-Y67 HydrophobicContact CD2-CE2 4.33Å; L56-N71 HydrophobicContact CD2-CB 4Å; L56-K74 HydrophobicContact CD1-CB 4.02Å; L56-K74 HydrophobicContact CD2-CB 4.24Å; L56-K74 HydrophobicContact CD2-CD 4.48Å; L56-K74 HydrophobicContact CG-CB 4.27Å; L56-L75 HydrophobicContact CD1-CB 3.88Å; L56-L75 HydrophobicContact CD1-CD1 4.3Å
57S95.6Very high95.3Very high63 Ų6352.1 Ų52.144%0.44129%0.286SS..G310 helixtrans-54.8-35.9-174.8-53.50000114.1A52 Y59 A60A52-S57 WeakPolarHBondContact CA-OG 3.35Å; S57-Y59 VanDerWaalsContact C-N 3.29Å; S57-Y59 PolarHBondContact O-N 2.82Å; S57-A60 VanDerWaalsContact O-CB 3.32Å; S57-A60 WeakPolarHBondContact O-CB 3.35Å; S57-A60 PolarHBondContact O-N 3.34Å
58W94.4Very high95.1Very high229 Ų22955.3 Ų55.387%0.86731%0.309SS*.G310 helixtrans-73.6-19.8178.4-71.44.5000114.1L56L56-W58 VanDerWaalsContact C-N 3.26Å; L56-W58 PolarHBondContact O-N 2.97Å; L56-W58 VanDerWaalsContact O-N 3.13Å
59Y93.9Very high94.8Very high81 Ų8156.1 Ų56.132%0.31832%0.317SS..G310 helixtrans-102.8-2.3179.6-56.4-81.6000112.1L56 S57 D61 R62 Y67L56-Y59 CarbonylContact O-C 3.6Å; L56-Y59 PolarHBondContact O-N 3Å; S57-Y59 VanDerWaalsContact C-N 3.29Å; S57-Y59 PolarHBondContact O-N 2.82Å; Y59-D61 VanDerWaalsContact C-N 3.26Å; Y59-D61 PolarHBondContact O-N 3.18Å; Y59-D61 VanDerWaalsContact O-N 3.09Å; Y59-R62 WeakPolarHBondContact O-CB 3.42Å; Y59-R62 PolarHBondContact O-N 3.19Å; Y59-Y67 VanDerWaalsContact C-OH 3.24Å; Y59-Y67 PolarHBondContact O-OH 3.49Å
60A95.5Very high94.6Very high1 Ų154 Ų541%0.00830%0.303CS..THydrogen-bonded Turntrans-47.7-44.5-168.300000114.1T24 G25 R26 L51 L56 S57T24-A60 WeakPolarHBondContact CB-O 3.24Å; G25-A60 PolarHBondContact N-O 3.09Å; G25-A60 VanDerWaalsContact N-O 3.13Å; R26-A60 PolarHBondContact N-O 3.33Å; L51-A60 HydrophobicContact CD1-CB 3.58Å; L56-A60 PolarHBondContact O-N 3.29Å; L56-A60 VanDerWaalsContact O-N 3.08Å; S57-A60 VanDerWaalsContact O-CB 3.32Å; S57-A60 WeakPolarHBondContact O-CB 3.35Å; S57-A60 PolarHBondContact O-N 3.34Å
61D96.5Very high94.6Very high106 Ų10654.3 Ų54.357%0.56730%0.302SS*.THydrogen-bonded Turntrans-100.411.9-173.4-51-59000112.7T24 R26 Y59T24-D61 WeakPolarHBondContact CG2-O 3.32Å; R26-D61 IonicContact CZ-OD1 3.45Å; R26-D61 IonicContact NE-OD1 3.18Å; R26-D61 PolarHBondContact NE-OD1 2.89Å; R26-D61 IonicContact NH2-OD1 3.24Å; R26-D61 PolarHBondContact NH2-OD1 3.28Å; R26-D61 IonicContact NH2-OD2 2.79Å; R26-D61 PolarHBondContact NH2-OD2 3.33Å; Y59-D61 VanDerWaalsContact C-N 3.26Å; Y59-D61 PolarHBondContact O-N 3.18Å; Y59-D61 VanDerWaalsContact O-N 3.09Å
62R96.3Very high94.5Very high138 Ų13856 Ų5652%0.52131%0.31SS..SBendtrans-94.6144.3171.3-59.8-176.5-168.7-1761.1110T24 Y59 A64 Y67T24-R62 WeakPolarHBondContact CA-O 3.41Å; Y59-R62 WeakPolarHBondContact O-CB 3.42Å; Y59-R62 PolarHBondContact O-N 3.19Å; R62-A64 PolarHBondContact O-N 3.35Å; R62-Y67 HydrophobicContact CB-CE1 4.15Å
63P97.1Very high94.4Very high59 Ų5954.3 Ų54.338%0.38329%0.291SS..BIsolated β-bridgetrans-57132.4174.8-23.433.1000111.5G65 T66P63-G65 PolarHBondContact O-N 2.95Å; P63-T66 HydrophobicContact CB-CG2 4.4Å; P63-T66 WeakPolarHBondContact O-CB 3.2Å; P63-T66 PolarHBondContact O-N 3.37Å; P63-T66 PolarHBondContact O-OG1 3.49Å
64A95.8Very high94.4Very high0 Ų051.1 Ų51.10%028%0.279CS..G310 helixtrans-63.5-23.6-175.600000112.7I19 L23 H28 R62 T66 Y67 K72 L75I19-A64 HydrophobicContact CD1-CB 4.28Å; L23-A64 VanDerWaalsContact O-CB 3.29Å; L23-A64 WeakPolarHBondContact O-CB 3.3Å; L23-A64 PolarHBondContact O-N 3.4Å; H28-A64 VanDerWaalsContact CE1-CB 3.45Å; H28-A64 WeakPolarHBondContact CE1-CB 3.29Å; R62-A64 PolarHBondContact O-N 3.35Å; A64-T66 PolarHBondContact O-N 3.47Å; A64-Y67 WeakPolarHBondContact O-CB 3.27Å; A64-Y67 PolarHBondContact O-N 3.4Å; A64-Y67 VanDerWaalsContact O-N 3.09Å; A64-K72 WeakPolarHBondContact O-CE 3.31Å; A64-L75 HydrophobicContact CB-CD2 3.77Å
65G94.3Very high94.4Very high27 Ų2751 Ų5128%0.27828%0.279SS..G310 helixtrans-57.2-29.2171.500000113.2E21 P63 Y67E21-G65 WeakPolarHBondContact O-CA 3.32Å; E21-G65 PolarHBondContact O-N 3.15Å; P63-G65 PolarHBondContact O-N 2.95Å; G65-Y67 VanDerWaalsContact C-N 3.34Å
66T95.2Very high94.4Very high100 Ų10049.6 Ų49.661%0.61326%0.264SS*.G310 helixtrans-83.8-4.5179.670.30000114.1P63 A64P63-T66 HydrophobicContact CB-CG2 4.4Å; P63-T66 WeakPolarHBondContact O-CB 3.2Å; P63-T66 PolarHBondContact O-N 3.37Å; P63-T66 PolarHBondContact O-OG1 3.49Å; A64-T66 PolarHBondContact O-N 3.47Å
67Y94.5Very high94.4Very high13 Ų1349.6 Ų49.65%0.05126%0.264CS..SBendtrans-72.8148.2-178.7-74.118.7000110.7L56 Y59 R62 A64 G65 N71 K72 L75L56-Y67 HydrophobicContact CD2-CE2 4.33Å; Y59-Y67 VanDerWaalsContact C-OH 3.24Å; Y59-Y67 PolarHBondContact O-OH 3.49Å; R62-Y67 HydrophobicContact CB-CE1 4.15Å; A64-Y67 WeakPolarHBondContact O-CB 3.27Å; A64-Y67 PolarHBondContact O-N 3.4Å; A64-Y67 VanDerWaalsContact O-N 3.09Å; G65-Y67 VanDerWaalsContact C-N 3.34Å; Y67-N71 HydrophobicContact CD2-CB 3.85Å; Y67-N71 HydrophobicContact CG-CB 4.08Å; Y67-K72 VanDerWaalsContact O-CE 3.27Å; Y67-K72 WeakPolarHBondContact O-CE 3.44Å; Y67-L75 HydrophobicContact CD2-CD2 4.39Å; Y67-L75 HydrophobicContact CE2-CB 4.44Å; Y67-L75 HydrophobicContact CE2-CD2 4.05Å
68S92.1Very high94.4Very high68 Ų6846.6 Ų46.648%0.47624%0.243SC..  trans-63.8158.1165.964.10000110.3G70 N71 K72S68-G70 PolarHBondContact O-N 3.2Å; S68-N71 PolarHBondContact O-N 3.21Å; S68-N71 PolarHBondContact OG-N 3.3Å; S68-K72 WeakPolarHBondContact O-CG 3.45Å; S68-K72 PolarHBondContact O-N 2.98Å
69G90.4Very high94.4Very high43 Ų4336.4 Ų36.444%0.44321%0.205SC..Hα-helixtrans-52.1-42.6177.300000113N71 K72 R73G69-N71 PolarHBondContact O-N 2.87Å; G69-K72 WeakPolarHBondContact O-CB 3.26Å; G69-K72 PolarHBondContact O-N 2.82Å; G69-R73 WeakPolarHBondContact O-CB 3.38Å; G69-R73 PolarHBondContact O-N 2.84Å
70G91.3Very high94.4Very high7 Ų732.7 Ų32.77%0.07219%0.191CC..Hα-helixtrans-63.1-37.117500000114.1S68 K74S68-G70 PolarHBondContact O-N 3.2Å; G70-K74 VanDerWaalsContact O-CG 3.3Å; G70-K74 WeakPolarHBondContact O-CG 3.34Å; G70-K74 PolarHBondContact O-N 2.79Å
71N93.3Very high94.3Very high19 Ų1933.6 Ų33.610%0.10220%0.196CC..Hα-helixtrans-74.3-33.3175.8-77.4-9000112.3L56 Y67 S68 G69 R73 K74 L75L56-N71 HydrophobicContact CD2-CB 4Å; Y67-N71 HydrophobicContact CD2-CB 3.85Å; Y67-N71 HydrophobicContact CG-CB 4.08Å; S68-N71 PolarHBondContact O-N 3.21Å; S68-N71 PolarHBondContact OG-N 3.3Å; G69-N71 PolarHBondContact O-N 2.87Å; N71-R73 VanDerWaalsContact C-N 3.34Å; N71-K74 PolarHBondContact O-N 3.38Å; N71-L75 WeakPolarHBondContact O-CB 3.17Å; N71-L75 PolarHBondContact O-N 3.29Å
72K93.8Very high94.1Very high39 Ų3928.9 Ų28.917%0.1717%0.171CC..Hα-helixtrans-61.4-45171.2-67.7-176.9172-174.20110.6D17 I19 A64 Y67 S68 G69 K74 L75 A76D17-K72 HydrophobicContact CB-CB 4.48Å; D17-K72 WeakPolarHBondContact OD2-CB 3.41Å; I19-K72 HydrophobicContact CD1-CB 3.91Å; I19-K72 HydrophobicContact CD1-CD 3.51Å; I19-K72 HydrophobicContact CD1-CG 3.48Å; I19-K72 VanDerWaalsContact CD1-CG 3.48Å; A64-K72 WeakPolarHBondContact O-CE 3.31Å; Y67-K72 VanDerWaalsContact O-CE 3.27Å; Y67-K72 WeakPolarHBondContact O-CE 3.44Å; S68-K72 WeakPolarHBondContact O-CG 3.45Å; S68-K72 PolarHBondContact O-N 2.98Å; G69-K72 WeakPolarHBondContact O-CB 3.26Å; G69-K72 PolarHBondContact O-N 2.82Å; K72-K74 PolarHBondContact O-N 2.88Å; K72-L75 WeakPolarHBondContact O-CB 3.35Å; K72-L75 PolarHBondContact O-N 3.01Å; K72-L75 VanDerWaalsContact O-N 3.14Å; K72-A76 PolarHBondContact O-N 3.42Å
73R93.1Very high93.7Very high19 Ų1924 Ų247%0.07216%0.164CC..Hα-helixtrans-62.5-42.3175.3-172.665.770.5174.8-1.3113.3P14 Q15 D17 G69 N71 L75 A76 T77 P93 M97P14-R73 PolarHBondContact O-NH1 3.03Å; Q15-R73 PolarHBondContact O-NH1 3.11Å; Q15-R73 PolarHBondContact O-NH2 3.05Å; D17-R73 IonicContact OD1-CZ 3.56Å; D17-R73 IonicContact OD1-NE 2.8Å; G69-R73 WeakPolarHBondContact O-CB 3.38Å; G69-R73 PolarHBondContact O-N 2.84Å; N71-R73 VanDerWaalsContact C-N 3.34Å; R73-L75 VanDerWaalsContact C-N 3.31Å; R73-L75 PolarHBondContact O-N 3.36Å; R73-A76 PolarHBondContact O-N 3.49Å; R73-T77 PolarHBondContact O-N 3.07Å; R73-T77 PolarHBondContact O-OG1 3.07Å; R73-P93 WeakPolarHBondContact CD-O 3.45Å; R73-P93 WeakPolarHBondContact CG-O 3.4Å; R73-M97 HydrophobicContact CB-CG 4.3Å; R73-M97 HydrophobicContact CB-SD 4.03Å; R73-M97 HydrophobicContact CG-CG 4.18Å; R73-M97 HydrophobicContact CG-SD 3.61Å
74K94.4Very high93.3Very high22 Ų2225.4 Ų25.410%0.09617%0.168CC..Hα-helixtrans-61-40.8172.8-74.8173.8-174.6-178.10111.7L54 L56 G70 N71 K72 T77 A78 M97 F104L54-K74 HydrophobicContact CB-CB 4.44Å; L54-K74 HydrophobicContact CD1-CB 4.02Å; L54-K74 HydrophobicContact CD1-CG 4.22Å; L54-K74 WeakPolarHBondContact CD1-O 3.47Å; L54-K74 WeakPolarHBondContact CG-O 3.5Å; L56-K74 HydrophobicContact CD1-CB 4.02Å; L56-K74 HydrophobicContact CD2-CB 4.24Å; L56-K74 HydrophobicContact CD2-CD 4.48Å; L56-K74 HydrophobicContact CG-CB 4.27Å; G70-K74 VanDerWaalsContact O-CG 3.3Å; G70-K74 WeakPolarHBondContact O-CG 3.34Å; G70-K74 PolarHBondContact O-N 2.79Å; N71-K74 PolarHBondContact O-N 3.38Å; K72-K74 PolarHBondContact O-N 2.88Å; K74-T77 PolarHBondContact O-N 3.03Å; K74-A78 WeakPolarHBondContact O-CB 3.25Å; K74-A78 PolarHBondContact O-N 2.93Å; K74-M97 HydrophobicContact CG-CE 4Å; K74-F104 HydrophobicContact CD-CD1 4.28Å; K74-F104 HydrophobicContact CD-CE1 4.48Å
75L95.4Very high93.1Very high0 Ų025.8 Ų25.80%017%0.171CC..Hα-helixtrans-66-45.7176.7-179.760.9000110.9I19 H28 L29 L56 A64 Y67 N71 K72 R73 T77 A78 L79I19-L75 HydrophobicContact CG2-CD2 4.29Å; H28-L75 HydrophobicContact CB-CD1 4.47Å; L29-L75 HydrophobicContact CG-CD1 4.48Å; L56-L75 HydrophobicContact CD1-CB 3.88Å; L56-L75 HydrophobicContact CD1-CD1 4.3Å; A64-L75 HydrophobicContact CB-CD2 3.77Å; Y67-L75 HydrophobicContact CD2-CD2 4.39Å; Y67-L75 HydrophobicContact CE2-CB 4.44Å; Y67-L75 HydrophobicContact CE2-CD2 4.05Å; N71-L75 WeakPolarHBondContact O-CB 3.17Å; N71-L75 PolarHBondContact O-N 3.29Å; K72-L75 WeakPolarHBondContact O-CB 3.35Å; K72-L75 PolarHBondContact O-N 3.01Å; K72-L75 VanDerWaalsContact O-N 3.14Å; R73-L75 VanDerWaalsContact C-N 3.31Å; R73-L75 PolarHBondContact O-N 3.36Å; L75-T77 VanDerWaalsContact C-N 3.27Å; L75-T77 PolarHBondContact O-N 3.28Å; L75-A78 WeakPolarHBondContact O-CB 3.48Å; L75-A78 PolarHBondContact O-N 3.27Å; L75-A78 VanDerWaalsContact O-N 3.08Å; L75-L79 HydrophobicContact CG-CD1 4.31Å; L75-L79 VanDerWaalsContact O-CG 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 3.35Å
76A94.8Very high93Very high7 Ų727.3 Ų27.36%0.05818%0.18CC..Hα-helixtrans-57.4-40.9175.200000111.9K72 R73 L79 A80K72-A76 PolarHBondContact O-N 3.42Å; R73-A76 PolarHBondContact O-N 3.49Å; A76-L79 WeakPolarHBondContact O-CB 3.32Å; A76-L79 PolarHBondContact O-N 3.37Å; A76-A80 PolarHBondContact O-N 3.46Å; A76-A80 VanDerWaalsContact O-N 3.11Å
77T94.6Very high92.9Very high0 Ų024.8 Ų24.80%017%0.165CC..Hα-helixtrans-67.3-41.6174.2-520000111.8L54 R73 K74 L75 L79 A80 L81 L90 L105 L109L54-T77 HydrophobicContact CD1-CG2 4.31Å; R73-T77 PolarHBondContact O-N 3.07Å; R73-T77 PolarHBondContact O-OG1 3.07Å; K74-T77 PolarHBondContact O-N 3.03Å; L75-T77 VanDerWaalsContact C-N 3.27Å; L75-T77 PolarHBondContact O-N 3.28Å; T77-L79 VanDerWaalsContact C-N 3.26Å; T77-L79 PolarHBondContact O-N 2.9Å; T77-A80 PolarHBondContact O-N 3.17Å; T77-L81 HydrophobicContact CG2-CD1 4.11Å; T77-L81 WeakPolarHBondContact O-CG 3.47Å; T77-L81 PolarHBondContact O-N 2.9Å; T77-L90 HydrophobicContact CG2-CD2 4.16Å; T77-L105 HydrophobicContact CG2-CD1 3.91Å; T77-L109 HydrophobicContact CG2-CD2 4.05Å
78A95.1Very high93Very high1 Ų124.1 Ų24.11%0.00816%0.162CC..Hα-helixtrans-57.9-42.2174.900000111.1L29 L54 K74 L75 A80 L81 V82L29-A78 HydrophobicContact CD2-CB 3.88Å; L54-A78 HydrophobicContact CB-CB 4.25Å; L54-A78 HydrophobicContact CG-CB 3.94Å; K74-A78 WeakPolarHBondContact O-CB 3.25Å; K74-A78 PolarHBondContact O-N 2.93Å; L75-A78 WeakPolarHBondContact O-CB 3.48Å; L75-A78 PolarHBondContact O-N 3.27Å; L75-A78 VanDerWaalsContact O-N 3.08Å; A78-A80 PolarHBondContact O-N 2.9Å; A78-L81 PolarHBondContact O-N 3.48Å; A78-L81 VanDerWaalsContact O-N 3.09Å; A78-V82 WeakPolarHBondContact O-CG2 3.44Å; A78-V82 PolarHBondContact O-N 3.01Å
79L94.7Very high93.2Very high15 Ų1524.1 Ų24.18%0.07915%0.154CC..Hα-helixtrans-61.9-40.4177.6-71.3171.5000112.4H28 L29 L32 L75 A76 T77 L81 V82H28-L79 HydrophobicContact CB-CD1 4.4Å; H28-L79 HydrophobicContact CB-CD2 3.79Å; L29-L79 HydrophobicContact CD2-CD2 3.68Å; L29-L79 HydrophobicContact CD2-CG 4.2Å; L29-L79 HydrophobicContact CG-CD2 4.13Å; L32-L79 HydrophobicContact CB-CD2 4.16Å; L32-L79 HydrophobicContact CD1-CD2 4.35Å; L32-L79 HydrophobicContact CD2-CB 3.81Å; L32-L79 HydrophobicContact CD2-CD2 3.8Å; L32-L79 HydrophobicContact CD2-CG 4.3Å; L32-L79 HydrophobicContact CG-CD2 4.33Å; L75-L79 HydrophobicContact CG-CD1 4.31Å; L75-L79 VanDerWaalsContact O-CG 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 3.35Å; A76-L79 WeakPolarHBondContact O-CB 3.32Å; A76-L79 PolarHBondContact O-N 3.37Å; T77-L79 VanDerWaalsContact C-N 3.26Å; T77-L79 PolarHBondContact O-N 2.9Å; L79-L81 PolarHBondContact O-N 3.29Å; L79-V82 PolarHBondContact O-N 2.83Å
80A94.2Very high93.4Very high2 Ų222.2 Ų22.22%0.01713%0.133CC..Hα-helixtrans-66.3-23.6174.600000113.2G11 C13 A76 T77 A78 P85 V88 L90G11-A80 VanDerWaalsContact CA-O 3.24Å; G11-A80 WeakPolarHBondContact CA-O 3.44Å; C13-A80 HydrophobicContact CB-CB 3.84Å; A76-A80 PolarHBondContact O-N 3.46Å; A76-A80 VanDerWaalsContact O-N 3.11Å; T77-A80 PolarHBondContact O-N 3.17Å; A78-A80 PolarHBondContact O-N 2.9Å; A80-P85 WeakPolarHBondContact O-CG 3.12Å; A80-V88 HydrophobicContact CB-CG1 4.18Å; A80-L90 HydrophobicContact CB-CD2 4.37Å
81L93.5Very high93.6Very high20 Ų2024 Ų2411%0.10514%0.141CC..Hα-helixtrans-92.1-7.6179.4-66.5167.5000113.7L54 T77 A78 L79 G83 D84 P85 V88 V112L54-L81 HydrophobicContact CD2-CD1 4.04Å; T77-L81 HydrophobicContact CG2-CD1 4.11Å; T77-L81 WeakPolarHBondContact O-CG 3.47Å; T77-L81 PolarHBondContact O-N 2.9Å; A78-L81 PolarHBondContact O-N 3.48Å; A78-L81 VanDerWaalsContact O-N 3.09Å; L79-L81 PolarHBondContact O-N 3.29Å; L81-G83 PolarHBondContact O-N 3.03Å; L81-D84 PolarHBondContact O-N 3.48Å; L81-P85 WeakPolarHBondContact O-CD 3.39Å; L81-V88 HydrophobicContact CD2-CG1 4.35Å; L81-V88 HydrophobicContact CD2-CG2 3.77Å; L81-V112 HydrophobicContact CD1-CG2 4.05Å; L81-V112 HydrophobicContact CD2-CB 4.49Å; L81-V112 HydrophobicContact CD2-CG1 3.79Å; L81-V112 HydrophobicContact CD2-CG2 3.96Å
82V93.2Very high93.5Very high7 Ų724.2 Ų24.24%0.04214%0.141CC..THydrogen-bonded Turntrans-62.3134.4-179.71730000111.1L29 L32 A33 T46 A78 L79 D84L29-V82 HydrophobicContact CB-CG2 4.38Å; L29-V82 HydrophobicContact CD2-CG2 3.19Å; L29-V82 HydrophobicContact CG-CG2 4.35Å; L32-V82 HydrophobicContact CB-CG1 4.37Å; A33-V82 VanDerWaalsContact CA-CG1 3.43Å; A33-V82 HydrophobicContact CB-CG1 3.73Å; T46-V82 HydrophobicContact CG2-CG1 4.41Å; A78-V82 WeakPolarHBondContact O-CG2 3.44Å; A78-V82 PolarHBondContact O-N 3.01Å; L79-V82 PolarHBondContact O-N 2.83Å; V82-D84 VanDerWaalsContact C-N 3.33Å
83G87.3Confident93.4Very high36 Ų3622.3 Ų22.337%0.37113%0.133SC..THydrogen-bonded Turntrans8114.2-179.700000113.6L81L81-G83 PolarHBondContact O-N 3.03Å
84D88.7Confident93.4Very high88 Ų8822 Ų2247%0.47113%0.133SC..  trans47.756.6177-69.4-64.4000113L81 V82 R117L81-D84 PolarHBondContact O-N 3.48Å; V82-D84 VanDerWaalsContact C-N 3.33Å; D84-R117 IonicContact OD1-CZ 3.87Å; D84-R117 IonicContact OD1-NH2 2.93Å; D84-R117 PolarHBondContact OD1-NH2 3.13Å
85P91.8Very high93Very high9 Ų923.2 Ų23.26%0.05814%0.143CC..  trans-60.9146.5179.828.2-36000111.3S9 A80 L81 V87 V88S9-P85 WeakPolarHBondContact O-CB 3.46Å; A80-P85 WeakPolarHBondContact O-CG 3.12Å; L81-P85 WeakPolarHBondContact O-CD 3.39Å; P85-V87 VanDerWaalsContact C-N 3.3Å; P85-V87 PolarHBondContact O-N 3.3Å; P85-V88 HydrophobicContact CG-CG2 3.76Å
86A91.4Very high92.4Very high59 Ų5926.8 Ų26.849%0.48818%0.18SC..SBendtrans-67.8-33.1-179.600000112.2S9 S118S9-A86 PolarHBondContact O-N 2.71Å; S9-A86 VanDerWaalsContact O-N 3.09Å; A86-S118 PolarHBondContact O-N 3.47Å
87V94.1Very high92.3Very high46 Ų4627.1 Ų27.128%0.27918%0.18SC..EExtended strand (participates in β ladder)trans-130.4133.9179.6-172.40000109.8S9 M10 G11 P85 F89 S118S9-V87 PolarHBondContact O-N 3.43Å; M10-V87 CarbonylContact C-O 3.54Å; M10-V87 VanDerWaalsContact CA-O 3.29Å; M10-V87 WeakPolarHBondContact CA-O 3.36Å; M10-V87 HydrophobicContact CG-CB 4.42Å; G11-V87 PolarHBondContact N-O 3.2Å; P85-V87 VanDerWaalsContact C-N 3.3Å; P85-V87 PolarHBondContact O-N 3.3Å; V87-F89 HydrophobicContact CB-CE2 4.38Å; V87-F89 HydrophobicContact CG1-CD2 4.31Å; V87-F89 HydrophobicContact CG1-CE2 3.62Å; V87-F89 HydrophobicContact CG1-CZ 3.83Å; V87-S118 CarbonylContact C-O 3.54Å; V87-S118 VanDerWaalsContact CA-O 3.31Å; V87-S118 WeakPolarHBondContact CA-O 2.95Å
88V95.4Very high92.1Very high0 Ų031.3 Ų31.30%020%0.203CC..EExtended strand (participates in β ladder)trans-123130.3178.8-175.30000109.4G11 A80 L81 P85 L90 S118 V119 M120G11-V88 WeakPolarHBondContact O-CA 3.49Å; A80-V88 HydrophobicContact CB-CG1 4.18Å; L81-V88 HydrophobicContact CD2-CG1 4.35Å; L81-V88 HydrophobicContact CD2-CG2 3.77Å; P85-V88 HydrophobicContact CG-CG2 3.76Å; V88-L90 HydrophobicContact CG1-CD2 3.71Å; V88-L90 HydrophobicContact CG1-CG 4.03Å; V88-S118 PolarHBondContact N-O 3.45Å; V88-V119 HydrophobicContact CB-CG2 4.44Å; V88-V119 CarbonylContact O-C 3.56Å; V88-V119 WeakPolarHBondContact O-CA 3.47Å; V88-M120 PolarHBondContact O-N 3.41Å
89F95.8Very high91.9Very high68 Ų6835.8 Ų35.830%0.29823%0.231SC..EExtended strand (participates in β ladder)trans-106.2127.1174.7-64.3-91.3000109.4M10 G11 Y12 C13 V87 M120M10-F89 HydrophobicContact CB-CE2 4.31Å; M10-F89 HydrophobicContact CG-CE2 3.97Å; M10-F89 HydrophobicContact SD-CD2 4.46Å; M10-F89 HydrophobicContact SD-CE2 3.51Å; M10-F89 VanDerWaalsContact SD-CE2 3.51Å; M10-F89 HydrophobicContact SD-CZ 4.14Å; G11-F89 PolarHBondContact O-N 3.23Å; Y12-F89 CarbonylContact C-O 3.59Å; Y12-F89 VanDerWaalsContact CA-O 3.32Å; Y12-F89 WeakPolarHBondContact CA-O 3.29Å; Y12-F89 HydrophobicContact CD2-CB 3.78Å; C13-F89 PolarHBondContact N-O 2.76Å; V87-F89 HydrophobicContact CB-CE2 4.38Å; V87-F89 HydrophobicContact CG1-CD2 4.31Å; V87-F89 HydrophobicContact CG1-CE2 3.62Å; V87-F89 HydrophobicContact CG1-CZ 3.83Å; F89-M120 CarbonylContact C-O 3.58Å; F89-M120 VanDerWaalsContact CA-O 3.31Å; F89-M120 WeakPolarHBondContact CA-O 3.25Å; F89-M120 HydrophobicContact CD1-CB 3.83Å; F89-M120 HydrophobicContact CD1-CG 4.07Å; F89-M120 HydrophobicContact CD1-SD 3.77Å; F89-M120 HydrophobicContact CE1-CB 4.07Å; F89-M120 HydrophobicContact CE1-CG 4.29Å; F89-M120 HydrophobicContact CE1-SD 3.51Å; F89-M120 VanDerWaalsContact CE1-SD 3.51Å
90L95.7Very high91.7Very high3 Ų339.4 Ų39.42%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-124.5114.2-177.9-59.3178000109.3C13 T77 A80 V88 P93 L109 V119 M120 L121 T122C13-L90 HydrophobicContact CB-CD2 3.47Å; C13-L90 VanDerWaalsContact CB-CD2 3.47Å; T77-L90 HydrophobicContact CG2-CD2 4.16Å; A80-L90 HydrophobicContact CB-CD2 4.37Å; V88-L90 HydrophobicContact CG1-CD2 3.71Å; V88-L90 HydrophobicContact CG1-CG 4.03Å; L90-P93 HydrophobicContact CB-CB 4.02Å; L90-P93 HydrophobicContact CB-CG 3.95Å; L90-P93 HydrophobicContact CD1-CB 4.4Å; L90-P93 HydrophobicContact CD1-CG 4.46Å; L90-L109 HydrophobicContact CD1-CD1 3.6Å; L90-L109 HydrophobicContact CD1-CD2 3.43Å; L90-L109 VanDerWaalsContact CD1-CD2 3.43Å; L90-L109 HydrophobicContact CD1-CG 4.17Å; L90-V119 HydrophobicContact CD1-CG1 3.69Å; L90-V119 HydrophobicContact CG-CG1 4.22Å; L90-M120 PolarHBondContact N-O 3.33Å; L90-L121 HydrophobicContact CB-CB 4.11Å; L90-L121 CarbonylContact O-C 3.54Å; L90-L121 WeakPolarHBondContact O-CA 3.36Å; L90-T122 PolarHBondContact O-N 2.9Å
91D94.7Very high91.5Very high43 Ų4339.6 Ų39.623%0.2326%0.26CS..EExtended strand (participates in β ladder)trans-94.7110179.6-170.928.8000110.2Y12 C13 Q15 T122Y12-D91 HydrophobicContact CE2-CB 4.32Å; C13-D91 PolarHBondContact O-N 2.9Å; Q15-D91 WeakPolarHBondContact CA-O 3.49Å; Q15-D91 HydrophobicContact CB-CB 4.46Å; Q15-D91 WeakPolarHBondContact CB-OD2 3.37Å; Q15-D91 PolarHBondContact N-O 3.11Å; Q15-D91 PolarHBondContact N-OD2 3.41Å; D91-T122 VanDerWaalsContact CA-OG1 3.24Å; D91-T122 WeakPolarHBondContact CA-OG1 3.41Å; D91-T122 PolarHBondContact OD1-OG1 2.94Å
92E92.3Very high91.5Very high24 Ų2441.3 Ų41.311%0.11227%0.265CS..SBendtrans5053.4179.5-71.9-73.5-177.700114Q15 T94 T95 T122 H124Q15-E92 HydrophobicContact CB-CB 4.34Å; Q15-E92 HydrophobicContact CG-CB 3.91Å; Q15-E92 HydrophobicContact CG-CG 4.47Å; E92-T94 VanDerWaalsContact C-N 3.25Å; E92-T94 PolarHBondContact O-N 2.94Å; E92-T94 VanDerWaalsContact O-N 3.1Å; E92-T95 PolarHBondContact O-N 2.95Å; E92-T95 PolarHBondContact OE2-OG1 3.04Å; E92-T95 VanDerWaalsContact OE2-OG1 3.08Å; E92-T122 WeakPolarHBondContact CA-O 3.24Å; E92-T122 PolarHBondContact N-O 2.94Å; E92-T122 VanDerWaalsContact N-O 3.13Å; E92-T122 PolarHBondContact N-OG1 3.06Å; E92-T122 VanDerWaalsContact N-OG1 3.12Å; E92-H124 IonicContact OE1-CE1 3.57Å; E92-H124 IonicContact OE1-CG 3.8Å; E92-H124 PolarHBondContact OE1-N 2.84Å; E92-H124 IonicContact OE1-ND1 2.59Å; E92-H124 PolarHBondContact OE1-ND1 3.46Å; E92-H124 IonicContact OE2-CE1 3.28Å; E92-H124 PolarHBondContact OE2-CE1 2.76Å; E92-H124 IonicContact OE2-ND1 3.23Å; E92-H124 PolarHBondContact OE2-ND1 3.16Å
93P91.6Very high91.5Very high0 Ų047 Ų470%029%0.286CS..THydrogen-bonded Turntrans-68.7-15.2-164.127.1-34.7000115.1R73 L90 L105 L121 T122R73-P93 WeakPolarHBondContact CD-O 3.45Å; R73-P93 WeakPolarHBondContact CG-O 3.4Å; L90-P93 HydrophobicContact CB-CB 4.02Å; L90-P93 HydrophobicContact CB-CG 3.95Å; L90-P93 HydrophobicContact CD1-CB 4.4Å; L90-P93 HydrophobicContact CD1-CG 4.46Å; P93-L105 HydrophobicContact CB-CD2 4.22Å; P93-L105 VanDerWaalsContact O-CD2 3.27Å; P93-L105 WeakPolarHBondContact O-CD2 3.36Å; P93-L121 HydrophobicContact CG-CB 4.43Å; P93-T122 WeakPolarHBondContact CD-O 3.34Å
94T91.9Very high91.9Very high11 Ų1148.7 Ų48.77%0.06728%0.283CS..THydrogen-bonded Turntrans-114.55.3-180620000114.4E92 G96 M97 R102 L105 E128E92-T94 VanDerWaalsContact C-N 3.25Å; E92-T94 PolarHBondContact O-N 2.94Å; E92-T94 VanDerWaalsContact O-N 3.1Å; T94-G96 PolarHBondContact O-N 3.21Å; T94-M97 HydrophobicContact CG2-SD 4.19Å; T94-M97 WeakPolarHBondContact O-CB 3.46Å; T94-M97 PolarHBondContact O-N 2.96Å; T94-M97 VanDerWaalsContact O-N 3.09Å; T94-R102 HydrophobicContact CG2-CB 4.24Å; T94-R102 HydrophobicContact CG2-CG 3.86Å; T94-L105 HydrophobicContact CG2-CB 4.49Å; T94-L105 HydrophobicContact CG2-CD2 3.84Å; T94-E128 VanDerWaalsContact CB-OE1 3.3Å; T94-E128 WeakPolarHBondContact CB-OE1 2.96Å; T94-E128 WeakPolarHBondContact CG2-OE1 3.27Å; T94-E128 PolarHBondContact OG1-OE1 2.87Å; T94-E128 PolarHBondContact OG1-OE2 3.14Å
95T87.2Confident92.2Very high48 Ų4844.5 Ų44.529%0.29426%0.26SS..THydrogen-bonded Turntrans-58.8126.1177-73.50000110.8E92 M97E92-T95 PolarHBondContact O-N 2.95Å; E92-T95 PolarHBondContact OE2-OG1 3.04Å; E92-T95 VanDerWaalsContact OE2-OG1 3.08Å; T95-M97 VanDerWaalsContact C-N 3.29Å; T95-M97 PolarHBondContact O-N 3.08Å
96G83.3Confident92.4Very high76 Ų7644.4 Ų44.478%0.78426%0.259SS*.THydrogen-bonded Turntrans76.57.9179.500000115.3T94T94-G96 PolarHBondContact O-N 3.21Å
97M91.3Very high92.6Very high14 Ų1445.4 Ų45.47%0.06926%0.256CS..  trans-86.8142.8173.7-60.4-173.572.600111.5R73 K74 T94 T95 A101 R102 L105R73-M97 HydrophobicContact CB-CG 4.3Å; R73-M97 HydrophobicContact CB-SD 4.03Å; R73-M97 HydrophobicContact CG-CG 4.18Å; R73-M97 HydrophobicContact CG-SD 3.61Å; K74-M97 HydrophobicContact CG-CE 4Å; T94-M97 HydrophobicContact CG2-SD 4.19Å; T94-M97 WeakPolarHBondContact O-CB 3.46Å; T94-M97 PolarHBondContact O-N 2.96Å; T94-M97 VanDerWaalsContact O-N 3.09Å; T95-M97 VanDerWaalsContact C-N 3.29Å; T95-M97 PolarHBondContact O-N 3.08Å; M97-A101 HydrophobicContact CB-CB 4.45Å; M97-A101 HydrophobicContact CE-CB 3.55Å; M97-A101 WeakPolarHBondContact CE-O 3.46Å; M97-R102 HydrophobicContact CB-CB 4.27Å; M97-L105 HydrophobicContact CE-CB 4.39Å; M97-L105 HydrophobicContact CE-CD2 4.4Å; M97-L105 HydrophobicContact SD-CD2 3.8Å
98D90.9Very high92.6Very high87 Ų8744 Ų4447%0.46525%0.248SC..  trans-64.2157.9168.769.187.5000111S100 A101 R102D98-S100 PolarHBondContact O-N 2.88Å; D98-S100 VanDerWaalsContact O-N 3.17Å; D98-S100 WeakPolarHBondContact OD1-CA 3.36Å; D98-S100 VanDerWaalsContact OD1-CB 3.28Å; D98-S100 WeakPolarHBondContact OD1-CB 3.41Å; D98-S100 PolarHBondContact OD1-N 3.34Å; D98-A101 PolarHBondContact O-N 3.13Å; D98-A101 PolarHBondContact OD1-N 3.26Å; D98-A101 WeakPolarHBondContact OD2-CB 3.47Å; D98-R102 WeakPolarHBondContact O-CB 3.28Å; D98-R102 PolarHBondContact O-N 2.82Å
99P90.3Very high92.6Very high95 Ų9544.2 Ų44.262%0.61725%0.249SC*.Hα-helixtrans-55.4-36-176.3-27.935.6000114.5R103P99-R103 WeakPolarHBondContact O-CB 3.49Å; P99-R103 PolarHBondContact O-N 3.13Å
100S91.2Very high92.6Very high91 Ų9142.9 Ų42.964%0.63625%0.245SC*.Hα-helixtrans-70.6-46.9-179.5-177.70000111D98 R102 R103 F104D98-S100 PolarHBondContact O-N 2.88Å; D98-S100 VanDerWaalsContact O-N 3.17Å; D98-S100 WeakPolarHBondContact OD1-CA 3.36Å; D98-S100 VanDerWaalsContact OD1-CB 3.28Å; D98-S100 WeakPolarHBondContact OD1-CB 3.41Å; D98-S100 PolarHBondContact OD1-N 3.34Å; S100-R102 VanDerWaalsContact C-N 3.35Å; S100-R102 PolarHBondContact O-N 3.4Å; S100-R103 PolarHBondContact O-N 3.01Å; S100-F104 WeakPolarHBondContact O-CB 3.38Å; S100-F104 PolarHBondContact O-N 2.97Å
101A91.1Very high92.6Very high6 Ų644.6 Ų44.65%0.0526%0.26CS..Hα-helixtrans-65.4-37.7178.400000112.5M97 D98 F104 L105M97-A101 HydrophobicContact CB-CB 4.45Å; M97-A101 HydrophobicContact CE-CB 3.55Å; M97-A101 WeakPolarHBondContact CE-O 3.46Å; D98-A101 PolarHBondContact O-N 3.13Å; D98-A101 PolarHBondContact OD1-N 3.26Å; D98-A101 WeakPolarHBondContact OD2-CB 3.47Å; A101-F104 PolarHBondContact O-N 2.84Å; A101-L105 PolarHBondContact O-N 2.85Å
102R93Very high92.5Very high57 Ų5742.8 Ų42.822%0.21525%0.25CS..Hα-helixtrans-60.1-50.6172.5165.7161.641.4130.9-3.6111.4T94 M97 D98 S100 F104 L105 W106 E127T94-R102 HydrophobicContact CG2-CB 4.24Å; T94-R102 HydrophobicContact CG2-CG 3.86Å; M97-R102 HydrophobicContact CB-CB 4.27Å; D98-R102 WeakPolarHBondContact O-CB 3.28Å; D98-R102 PolarHBondContact O-N 2.82Å; S100-R102 VanDerWaalsContact C-N 3.35Å; S100-R102 PolarHBondContact O-N 3.4Å; R102-F104 VanDerWaalsContact C-N 3.28Å; R102-F104 PolarHBondContact O-N 2.93Å; R102-L105 PolarHBondContact O-N 3.36Å; R102-L105 VanDerWaalsContact O-N 3.1Å; R102-W106 HydrophobicContact CG-CD2 4.31Å; R102-W106 HydrophobicContact CG-CZ2 3.74Å; R102-W106 VanDerWaalsContact O-CD1 3.27Å; R102-W106 PolarHBondContact O-N 2.89Å; R102-E127 IonicContact NH1-OE2 3.94Å; R102-E127 PolarHBondContact NH1-OE2 2.95Å
103R93.8Very high92.6Very high127 Ų12744.9 Ų44.948%0.47927%0.265SS..Hα-helixtrans-63.4-36.1179.5-170.563.4-173.7-175.75.3112.6P99 S100 W106 N107P99-R103 WeakPolarHBondContact O-CB 3.49Å; P99-R103 PolarHBondContact O-N 3.13Å; S100-R103 PolarHBondContact O-N 3.01Å; R103-W106 VanDerWaalsContact NH1-CE3 3.32Å; R103-W106 PolarHBondContact O-N 3.29Å; R103-N107 PolarHBondContact O-N 3.02Å; R103-N107 VanDerWaalsContact O-N 3.14Å; R103-N107 PolarHBondContact O-ND2 3.15Å
104F94.8Very high92.8Very high71 Ų7154.4 Ų54.431%0.31130%0.3SS..Hα-helixtrans-59.9-49.7172.2177.8-84.3000111.2L54 K74 S100 A101 R102 W106 N107 S108L54-F104 VanDerWaalsContact C-CZ 3.48Å; L54-F104 WeakPolarHBondContact O-CE1 3.19Å; K74-F104 HydrophobicContact CD-CD1 4.28Å; K74-F104 HydrophobicContact CD-CE1 4.48Å; S100-F104 WeakPolarHBondContact O-CB 3.38Å; S100-F104 PolarHBondContact O-N 2.97Å; A101-F104 PolarHBondContact O-N 2.84Å; R102-F104 VanDerWaalsContact C-N 3.28Å; R102-F104 PolarHBondContact O-N 2.93Å; F104-W106 VanDerWaalsContact C-N 3.31Å; F104-W106 PolarHBondContact O-N 3.25Å; F104-N107 PolarHBondContact O-N 2.76Å; F104-S108 PolarHBondContact O-N 3.12Å; F104-S108 PolarHBondContact O-OG 3.49Å
105L94.6Very high92.8Very high0 Ų058.2 Ų58.20%032%0.318CS..Hα-helixtrans-60.1-42.8179.7-17358.9000111.5L54 T77 P93 T94 M97 A101 R102 N107 S108 L109L54-L105 HydrophobicContact CD1-CD1 3.43Å; L54-L105 VanDerWaalsContact CD1-CD1 3.43Å; T77-L105 HydrophobicContact CG2-CD1 3.91Å; P93-L105 HydrophobicContact CB-CD2 4.22Å; P93-L105 VanDerWaalsContact O-CD2 3.27Å; P93-L105 WeakPolarHBondContact O-CD2 3.36Å; T94-L105 HydrophobicContact CG2-CB 4.49Å; T94-L105 HydrophobicContact CG2-CD2 3.84Å; M97-L105 HydrophobicContact CE-CB 4.39Å; M97-L105 HydrophobicContact CE-CD2 4.4Å; M97-L105 HydrophobicContact SD-CD2 3.8Å; A101-L105 PolarHBondContact O-N 2.85Å; R102-L105 PolarHBondContact O-N 3.36Å; R102-L105 VanDerWaalsContact O-N 3.1Å; L105-N107 VanDerWaalsContact C-N 3.33Å; L105-N107 PolarHBondContact O-N 2.76Å; L105-S108 WeakPolarHBondContact O-CB 3.45Å; L105-S108 PolarHBondContact O-N 2.66Å; L105-S108 VanDerWaalsContact O-N 3.13Å; L105-L109 HydrophobicContact CG-CD1 4.37Å; L105-L109 HydrophobicContact CG-CG 4.48Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 2.95Å
106W95.4Very high93Very high6 Ų659.2 Ų59.22%0.02334%0.337CS..Hα-helixtrans-56.2-46.6175.9-716.9000112.6R102 R103 F104 S108 L109 L110 E127 E128 A131 L132R102-W106 HydrophobicContact CG-CD2 4.31Å; R102-W106 HydrophobicContact CG-CZ2 3.74Å; R102-W106 VanDerWaalsContact O-CD1 3.27Å; R102-W106 PolarHBondContact O-N 2.89Å; R103-W106 VanDerWaalsContact NH1-CE3 3.32Å; R103-W106 PolarHBondContact O-N 3.29Å; F104-W106 VanDerWaalsContact C-N 3.31Å; F104-W106 PolarHBondContact O-N 3.25Å; W106-S108 VanDerWaalsContact C-N 3.33Å; W106-S108 PolarHBondContact O-N 3.44Å; W106-L109 PolarHBondContact O-N 3.42Å; W106-L110 WeakPolarHBondContact O-CG 3.45Å; W106-L110 PolarHBondContact O-N 3.28Å; W106-E127 HydrophobicContact CH2-CB 4.43Å; W106-E127 HydrophobicContact CH2-CG 3.92Å; W106-E128 HydrophobicContact CH2-CB 4.36Å; W106-E128 HydrophobicContact CZ2-CB 3.55Å; W106-E128 HydrophobicContact CZ2-CG 3.96Å; W106-E128 PolarHBondContact NE1-OE1 2.92Å; W106-A131 HydrophobicContact CD2-CB 4.38Å; W106-A131 HydrophobicContact CE3-CB 3.54Å; W106-A131 HydrophobicContact CH2-CB 4.09Å; W106-A131 HydrophobicContact CZ3-CB 3.37Å; W106-L132 HydrophobicContact CB-CD2 3.7Å; W106-L132 HydrophobicContact CB-CG 4.41Å; W106-L132 HydrophobicContact CD2-CG 4.39Å; W106-L132 HydrophobicContact CG-CD1 4.03Å; W106-L132 HydrophobicContact CG-CD2 3.94Å; W106-L132 HydrophobicContact CG-CG 4.1Å
107N95.9Very high93.5Very high81 Ų8157.7 Ų57.743%0.43331%0.308SS..Hα-helixtrans-63.2-39.5177.6-69-28.7000111.9R103 F104 L105 L110 A111R103-N107 PolarHBondContact O-N 3.02Å; R103-N107 VanDerWaalsContact O-N 3.14Å; R103-N107 PolarHBondContact O-ND2 3.15Å; F104-N107 PolarHBondContact O-N 2.76Å; L105-N107 VanDerWaalsContact C-N 3.33Å; L105-N107 PolarHBondContact O-N 2.76Å; N107-L110 PolarHBondContact O-N 2.81Å; N107-A111 PolarHBondContact O-N 3.11Å
108S94.8Very high93.6Very high16 Ų1660.5 Ų60.511%0.11233%0.329CS..Hα-helixtrans-63.2-42.8175.1-63.80000111.8R53 F104 L105 W106 A111 V112R53-S108 PolarHBondContact O-OG 3.28Å; F104-S108 PolarHBondContact O-N 3.12Å; F104-S108 PolarHBondContact O-OG 3.49Å; L105-S108 WeakPolarHBondContact O-CB 3.45Å; L105-S108 PolarHBondContact O-N 2.66Å; L105-S108 VanDerWaalsContact O-N 3.13Å; W106-S108 VanDerWaalsContact C-N 3.33Å; W106-S108 PolarHBondContact O-N 3.44Å; S108-A111 WeakPolarHBondContact O-CB 3.29Å; S108-A111 PolarHBondContact O-N 3.21Å; S108-V112 WeakPolarHBondContact O-CG2 3.24Å; S108-V112 PolarHBondContact O-N 3.13Å
109L95.3Very high93.9Very high4 Ų458.3 Ų58.32%0.02132%0.319CS..Hα-helixtrans-65.9-43177.3-67179.2000112.1T77 L90 L105 W106 A111 V112 V113 L132T77-L109 HydrophobicContact CG2-CD2 4.05Å; L90-L109 HydrophobicContact CD1-CD1 3.6Å; L90-L109 HydrophobicContact CD1-CD2 3.43Å; L90-L109 VanDerWaalsContact CD1-CD2 3.43Å; L90-L109 HydrophobicContact CD1-CG 4.17Å; L105-L109 HydrophobicContact CG-CD1 4.37Å; L105-L109 HydrophobicContact CG-CG 4.48Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 2.95Å; W106-L109 PolarHBondContact O-N 3.42Å; L109-A111 VanDerWaalsContact C-N 3.26Å; L109-A111 PolarHBondContact O-N 2.99Å; L109-V112 WeakPolarHBondContact O-CB 3.38Å; L109-V112 PolarHBondContact O-N 3.06Å; L109-V112 VanDerWaalsContact O-N 3.14Å; L109-V113 WeakPolarHBondContact O-CG2 3.43Å; L109-V113 PolarHBondContact O-N 3.39Å; L109-L132 HydrophobicContact CD1-CD1 4.08Å
110L95.6Very high94.1Very high40 Ų4058.5 Ų58.521%0.20931%0.312CS..Hα-helixtrans-61.1-36.4174.4-71.4172.2000111.9W106 N107 V113 R114 L132W106-L110 WeakPolarHBondContact O-CG 3.45Å; W106-L110 PolarHBondContact O-N 3.28Å; N107-L110 PolarHBondContact O-N 2.81Å; L110-V113 PolarHBondContact O-N 2.97Å; L110-R114 VanDerWaalsContact O-CG 3.26Å; L110-R114 WeakPolarHBondContact O-CG 3.49Å; L110-R114 PolarHBondContact O-N 3.2Å; L110-L132 HydrophobicContact CD1-CD2 4.19Å; L110-L132 HydrophobicContact CD2-CD2 4.07Å; L110-L132 HydrophobicContact CG-CD2 3.74Å
111A94.8Very high94.3Very high40 Ų4055.5 Ų55.533%0.33129%0.289SS..Hα-helixtrans-63.8-44.5173.700000111.5N107 S108 L109 V113 R114 E115N107-A111 PolarHBondContact O-N 3.11Å; S108-A111 WeakPolarHBondContact O-CB 3.29Å; S108-A111 PolarHBondContact O-N 3.21Å; L109-A111 VanDerWaalsContact C-N 3.26Å; L109-A111 PolarHBondContact O-N 2.99Å; A111-V113 VanDerWaalsContact C-N 3.32Å; A111-V113 PolarHBondContact O-N 3.44Å; A111-R114 WeakPolarHBondContact O-CB 3.34Å; A111-R114 PolarHBondContact O-N 3.49Å; A111-E115 WeakPolarHBondContact O-CG 3.24Å; A111-E115 PolarHBondContact O-N 2.95Å
112V93.3Very high94.5Very high5 Ų558 Ų583%0.0330%0.304CS..Hα-helixtrans-58.4-43.4175.2168.90000111.4L81 S108 L109 E115 R117 V119L81-V112 HydrophobicContact CD1-CG2 4.05Å; L81-V112 HydrophobicContact CD2-CB 4.49Å; L81-V112 HydrophobicContact CD2-CG1 3.79Å; L81-V112 HydrophobicContact CD2-CG2 3.96Å; S108-V112 WeakPolarHBondContact O-CG2 3.24Å; S108-V112 PolarHBondContact O-N 3.13Å; L109-V112 WeakPolarHBondContact O-CB 3.38Å; L109-V112 PolarHBondContact O-N 3.06Å; L109-V112 VanDerWaalsContact O-N 3.14Å; V112-E115 PolarHBondContact O-N 3.39Å; V112-R117 HydrophobicContact CG1-CB 3.83Å; V112-R117 HydrophobicContact CG1-CG 4.2Å; V112-R117 WeakPolarHBondContact O-CD 3.18Å; V112-R117 PolarHBondContact O-N 2.92Å; V112-V119 HydrophobicContact CG1-CG2 4.16Å
113V94.8Very high94.5Very high68 Ų6856.6 Ų56.641%0.41230%0.303SS..Hα-helixtrans-63.9-42.1176.6174.20000111.5L109 L110 A111 E115 G116 R117 V119L109-V113 WeakPolarHBondContact O-CG2 3.43Å; L109-V113 PolarHBondContact O-N 3.39Å; L110-V113 PolarHBondContact O-N 2.97Å; A111-V113 VanDerWaalsContact C-N 3.32Å; A111-V113 PolarHBondContact O-N 3.44Å; V113-E115 PolarHBondContact O-N 3.14Å; V113-G116 PolarHBondContact O-N 3.36Å; V113-R117 WeakPolarHBondContact CA-O 3.39Å; V113-V119 HydrophobicContact CG2-CB 4.09Å; V113-V119 HydrophobicContact CG2-CG2 3.71Å
114R94.8Very high94.3Very high199 Ų19957 Ų5775%0.75131%0.31SS*.Hα-helixtrans-63.3-27.6176.4-72.2170.8-169.2150.74113.3L110 A111 G116L110-R114 VanDerWaalsContact O-CG 3.26Å; L110-R114 WeakPolarHBondContact O-CG 3.49Å; L110-R114 PolarHBondContact O-N 3.2Å; A111-R114 WeakPolarHBondContact O-CB 3.34Å; A111-R114 PolarHBondContact O-N 3.49Å; R114-G116 PolarHBondContact O-N 3.08Å
115E92.9Very high94Very high91 Ų9154.9 Ų54.943%0.42530%0.304SS..THydrogen-bonded Turntrans-76.44.5173.3-68169.3129.100112.7R53 A111 V112 V113 R117R53-E115 IonicContact CZ-OE1 3.68Å; R53-E115 VanDerWaalsContact NH1-CD 3.27Å; R53-E115 IonicContact NH1-OE1 3.98Å; R53-E115 PolarHBondContact NH1-OE1 3.37Å; R53-E115 IonicContact NH1-OE2 2.93Å; R53-E115 PolarHBondContact NH1-OE2 3Å; R53-E115 IonicContact NH2-OE1 2.77Å; A111-E115 WeakPolarHBondContact O-CG 3.24Å; A111-E115 PolarHBondContact O-N 2.95Å; V112-E115 PolarHBondContact O-N 3.39Å; V113-E115 PolarHBondContact O-N 3.14Å; E115-R117 IonicContact OE1-NH1 2.72Å; E115-R117 IonicContact OE2-CZ 2.86Å; E115-R117 IonicContact OE2-NH1 3.92Å; E115-R117 PolarHBondContact OE2-NH1 3.1Å
116G92.1Very high93.4Very high69 Ų6955.7 Ų55.771%0.71131%0.308SS*.THydrogen-bonded Turntrans95.713.7171.900000115.2V113 R114V113-G116 PolarHBondContact O-N 3.36Å; R114-G116 PolarHBondContact O-N 3.08Å
117R91.9Very high93.1Very high45 Ų4560.5 Ų60.517%0.1733%0.33CS..  trans-95150.3-179.9-60.685.6177.9-130.2-2.2111D84 V112 V113 E115D84-R117 IonicContact OD1-CZ 3.87Å; D84-R117 IonicContact OD1-NH2 2.93Å; D84-R117 PolarHBondContact OD1-NH2 3.13Å; V112-R117 HydrophobicContact CG1-CB 3.83Å; V112-R117 HydrophobicContact CG1-CG 4.2Å; V112-R117 WeakPolarHBondContact O-CD 3.18Å; V112-R117 PolarHBondContact O-N 2.92Å; V113-R117 WeakPolarHBondContact CA-O 3.39Å; E115-R117 IonicContact OE1-NH1 2.72Å; E115-R117 IonicContact OE2-CZ 2.86Å; E115-R117 IonicContact OE2-NH1 3.92Å; E115-R117 PolarHBondContact OE2-NH1 3.1Å
118S94.8Very high92.8Very high73 Ų7356.6 Ų56.651%0.5131%0.31SS..EExtended strand (participates in β ladder)trans-94.3129.2173.5-62.80000110.1A86 V87 V88A86-S118 PolarHBondContact O-N 3.47Å; V87-S118 CarbonylContact C-O 3.54Å; V87-S118 VanDerWaalsContact CA-O 3.31Å; V87-S118 WeakPolarHBondContact CA-O 2.95Å; V88-S118 PolarHBondContact N-O 3.45Å
119V95.7Very high92.7Very high40 Ų4056.6 Ų56.624%0.24231%0.31CS..EExtended strand (participates in β ladder)trans-118.2127.1176-178.50000108.3V88 L90 V112 V113V88-V119 HydrophobicContact CB-CG2 4.44Å; V88-V119 CarbonylContact O-C 3.56Å; V88-V119 WeakPolarHBondContact O-CA 3.47Å; L90-V119 HydrophobicContact CD1-CG1 3.69Å; L90-V119 HydrophobicContact CG-CG1 4.22Å; V112-V119 HydrophobicContact CG1-CG2 4.16Å; V113-V119 HydrophobicContact CG2-CB 4.09Å; V113-V119 HydrophobicContact CG2-CG2 3.71Å
120M95.8Very high92.4Very high99 Ų9959.2 Ų59.249%0.48832%0.322SS..EExtended strand (participates in β ladder)trans-110.1126.4168.5-179.3170.8178.900107.7V88 F89 L90V88-M120 PolarHBondContact O-N 3.41Å; F89-M120 CarbonylContact C-O 3.58Å; F89-M120 VanDerWaalsContact CA-O 3.31Å; F89-M120 WeakPolarHBondContact CA-O 3.25Å; F89-M120 HydrophobicContact CD1-CB 3.83Å; F89-M120 HydrophobicContact CD1-CG 4.07Å; F89-M120 HydrophobicContact CD1-SD 3.77Å; F89-M120 HydrophobicContact CE1-CB 4.07Å; F89-M120 HydrophobicContact CE1-CG 4.29Å; F89-M120 HydrophobicContact CE1-SD 3.51Å; F89-M120 VanDerWaalsContact CE1-SD 3.51Å; L90-M120 PolarHBondContact N-O 3.33Å
121L95.5Very high92.2Very high28 Ų2859.2 Ų59.215%0.14733%0.327CS..EExtended strand (participates in β ladder)trans-124.6146.917665.289.3000111L90 P93 E128 L132L90-L121 HydrophobicContact CB-CB 4.11Å; L90-L121 CarbonylContact O-C 3.54Å; L90-L121 WeakPolarHBondContact O-CA 3.36Å; P93-L121 HydrophobicContact CG-CB 4.43Å; L121-E128 HydrophobicContact CD1-CG 4.43Å; L121-L132 HydrophobicContact CD2-CB 3.94Å; L121-L132 HydrophobicContact CD2-CD1 3.54Å; L121-L132 HydrophobicContact CD2-CG 4.41Å
122T94.8Very high92.1Very high60 Ų6058.4 Ų58.437%0.36832%0.317SS..EExtended strand (participates in β ladder)trans-100.8139.1163.758.80000107.8L90 D91 E92 P93L90-T122 PolarHBondContact O-N 2.9Å; D91-T122 VanDerWaalsContact CA-OG1 3.24Å; D91-T122 WeakPolarHBondContact CA-OG1 3.41Å; D91-T122 PolarHBondContact OD1-OG1 2.94Å; E92-T122 WeakPolarHBondContact CA-O 3.24Å; E92-T122 PolarHBondContact N-O 2.94Å; E92-T122 VanDerWaalsContact N-O 3.13Å; E92-T122 PolarHBondContact N-OG1 3.06Å; E92-T122 VanDerWaalsContact N-OG1 3.12Å; P93-T122 WeakPolarHBondContact CD-O 3.34Å
123S92.8Very high92.1Very high26 Ų2659.6 Ų59.618%0.18233%0.326CS..  trans-158137.9177.4-170.50000109.4S125 E128S123-S125 VanDerWaalsContact C-N 3.28Å; S123-S125 WeakPolarHBondContact OG-CB 3.3Å; S123-S125 PolarHBondContact OG-N 3.21Å; S123-E128 WeakPolarHBondContact CB-OE2 3.3Å; S123-E128 PolarHBondContact OG-OE2 3.47Å
124H88.9Confident92.1Very high136 Ų13661.4 Ų61.463%0.6334%0.341SS*.SBendtrans-82.6-7164.963-79.2000112.4E92E92-H124 IonicContact OE1-CE1 3.57Å; E92-H124 IonicContact OE1-CG 3.8Å; E92-H124 PolarHBondContact OE1-N 2.84Å; E92-H124 IonicContact OE1-ND1 2.59Å; E92-H124 PolarHBondContact OE1-ND1 3.46Å; E92-H124 IonicContact OE2-CE1 3.28Å; E92-H124 PolarHBondContact OE2-CE1 2.76Å; E92-H124 IonicContact OE2-ND1 3.23Å; E92-H124 PolarHBondContact OE2-ND1 3.16Å
125S88.6Confident92Very high26 Ų2657.8 Ų57.818%0.18233%0.327CS..  trans-91.8114.3178.3179.90000110.9S123 E127 E128 C129S123-S125 VanDerWaalsContact C-N 3.28Å; S123-S125 WeakPolarHBondContact OG-CB 3.3Å; S123-S125 PolarHBondContact OG-N 3.21Å; S125-E127 PolarHBondContact O-N 3.39Å; S125-E128 PolarHBondContact O-N 3.33Å; S125-E128 PolarHBondContact OG-N 3.11Å; S125-C129 PolarHBondContact O-N 3.4Å; S125-C129 VanDerWaalsContact O-N 3.11Å
126M83.6Confident92Very high17 Ų1754 Ų548%0.08431%0.31CS..Hα-helixtrans-64.5-33.1173-167.463.457.100111.5E128 C129 E130 L136 L234 E235M126-E128 VanDerWaalsContact C-N 3.32Å; M126-E128 PolarHBondContact O-N 2.6Å; M126-C129 PolarHBondContact O-N 3Å; M126-C129 HydrophobicContact SD-CB 4.42Å; M126-E130 HydrophobicContact CG-CG 4.1Å; M126-E130 VanDerWaalsContact CG-OE1 3.32Å; M126-E130 WeakPolarHBondContact CG-OE1 3.47Å; M126-E130 WeakPolarHBondContact O-CB 3.45Å; M126-E130 VanDerWaalsContact O-CG 3.24Å; M126-E130 WeakPolarHBondContact O-CG 3.34Å; M126-E130 PolarHBondContact O-N 3.49Å; M126-E130 HydrophobicContact SD-CG 4.35Å; M126-L136 HydrophobicContact SD-CD1 4.21Å; M126-L234 HydrophobicContact CE-CB 3.63Å; M126-L234 HydrophobicContact CE-CD1 4.03Å; M126-L234 HydrophobicContact CE-CG 4.48Å; M126-L234 HydrophobicContact SD-CB 4.41Å; M126-L234 HydrophobicContact SD-CD1 4.01Å; M126-E235 HydrophobicContact CB-CG 3.79Å; M126-E235 WeakPolarHBondContact CB-OE1 3.38Å; M126-E235 HydrophobicContact CE-CG 4.43Å; M126-E235 PolarHBondContact N-OE1 2.85Å
127E87.7Confident91.9Very high107 Ų10753.1 Ų53.150%0.530%0.296SS..Hα-helixtrans-57.7-44.7174.9-166.1-162.417400111.6R102 W106 S125 A131R102-E127 IonicContact NH1-OE2 3.94Å; R102-E127 PolarHBondContact NH1-OE2 2.95Å; W106-E127 HydrophobicContact CH2-CB 4.43Å; W106-E127 HydrophobicContact CH2-CG 3.92Å; S125-E127 PolarHBondContact O-N 3.39Å; E127-A131 VanDerWaalsContact O-CB 3.24Å; E127-A131 WeakPolarHBondContact O-CB 3.38Å; E127-A131 PolarHBondContact O-N 3.39Å
128E91.1Very high91.7Very high0 Ų052.1 Ų52.10%029%0.294CS..Hα-helixtrans-64.8-50.1176.4178.7163.5-112.500111.9T94 W106 L121 S123 S125 M126 E130 A131 L132T94-E128 VanDerWaalsContact CB-OE1 3.3Å; T94-E128 WeakPolarHBondContact CB-OE1 2.96Å; T94-E128 WeakPolarHBondContact CG2-OE1 3.27Å; T94-E128 PolarHBondContact OG1-OE1 2.87Å; T94-E128 PolarHBondContact OG1-OE2 3.14Å; W106-E128 HydrophobicContact CH2-CB 4.36Å; W106-E128 HydrophobicContact CZ2-CB 3.55Å; W106-E128 HydrophobicContact CZ2-CG 3.96Å; W106-E128 PolarHBondContact NE1-OE1 2.92Å; L121-E128 HydrophobicContact CD1-CG 4.43Å; S123-E128 WeakPolarHBondContact CB-OE2 3.3Å; S123-E128 PolarHBondContact OG-OE2 3.47Å; S125-E128 PolarHBondContact O-N 3.33Å; S125-E128 PolarHBondContact OG-N 3.11Å; M126-E128 VanDerWaalsContact C-N 3.32Å; M126-E128 PolarHBondContact O-N 2.6Å; E128-E130 VanDerWaalsContact C-N 3.32Å; E128-E130 PolarHBondContact O-N 2.64Å; E128-A131 PolarHBondContact O-N 3.09Å; E128-L132 HydrophobicContact CG-CD1 3.8Å; E128-L132 HydrophobicContact CG-CG 4.5Å; E128-L132 WeakPolarHBondContact O-CB 3.09Å; E128-L132 PolarHBondContact O-N 2.95Å
129C91.8Very high91.3Very high16 Ų1653.7 Ų53.711%0.10829%0.294CS..Hα-helixtrans-55-46.9178.2-81.70000111.7S125 M126 C133 L136S125-C129 PolarHBondContact O-N 3.4Å; S125-C129 VanDerWaalsContact O-N 3.11Å; M126-C129 PolarHBondContact O-N 3Å; M126-C129 HydrophobicContact SD-CB 4.42Å; C129-C133 WeakPolarHBondContact O-CB 3.5Å; C129-C133 PolarHBondContact O-N 3.41Å; C129-L136 HydrophobicContact CB-CD1 4.18Å; C129-L136 HydrophobicContact CB-CD2 3.48Å; C129-L136 VanDerWaalsContact CB-CD2 3.48Å; C129-L136 HydrophobicContact CB-CG 4.49Å
130E89.1Confident90.6Very high59 Ų5954.2 Ų54.228%0.27630%0.298SS..Hα-helixtrans-69.2-34.8179.4-72.7-179-171.700113.3M126 E128 P150 K154M126-E130 HydrophobicContact CG-CG 4.1Å; M126-E130 VanDerWaalsContact CG-OE1 3.32Å; M126-E130 WeakPolarHBondContact CG-OE1 3.47Å; M126-E130 WeakPolarHBondContact O-CB 3.45Å; M126-E130 VanDerWaalsContact O-CG 3.24Å; M126-E130 WeakPolarHBondContact O-CG 3.34Å; M126-E130 PolarHBondContact O-N 3.49Å; M126-E130 HydrophobicContact SD-CG 4.35Å; E128-E130 VanDerWaalsContact C-N 3.32Å; E128-E130 PolarHBondContact O-N 2.64Å; E130-P150 HydrophobicContact CG-CB 4.36Å; E130-K154 VanDerWaalsContact CD-CE 3.4Å; E130-K154 WeakPolarHBondContact OE1-CE 2.75Å; E130-K154 IonicContact OE1-NZ 2.76Å; E130-K154 PolarHBondContact OE1-NZ 2.86Å; E130-K154 IonicContact OE2-NZ 3.51Å; E130-K154 PolarHBondContact OE2-NZ 2.77Å
131A90.9Very high90.1Very high39 Ų3955.6 Ų55.632%0.32231%0.307SS..Hα-helixtrans-74.9-32.3-179.500000113.1W106 E127 E128W106-A131 HydrophobicContact CD2-CB 4.38Å; W106-A131 HydrophobicContact CE3-CB 3.54Å; W106-A131 HydrophobicContact CH2-CB 4.09Å; W106-A131 HydrophobicContact CZ3-CB 3.37Å; E127-A131 VanDerWaalsContact O-CB 3.24Å; E127-A131 WeakPolarHBondContact O-CB 3.38Å; E127-A131 PolarHBondContact O-N 3.39Å; E128-A131 PolarHBondContact O-N 3.09Å
132L93.6Very high89.6Confident23 Ų2357.4 Ų57.412%0.1233%0.333CS..Hα-helixtrans-106.2-34.3-171-67.1-177.7000114.5W106 L109 L110 L121 E128W106-L132 HydrophobicContact CB-CD2 3.7Å; W106-L132 HydrophobicContact CB-CG 4.41Å; W106-L132 HydrophobicContact CD2-CG 4.39Å; W106-L132 HydrophobicContact CG-CD1 4.03Å; W106-L132 HydrophobicContact CG-CD2 3.94Å; W106-L132 HydrophobicContact CG-CG 4.1Å; L109-L132 HydrophobicContact CD1-CD1 4.08Å; L110-L132 HydrophobicContact CD1-CD2 4.19Å; L110-L132 HydrophobicContact CD2-CD2 4.07Å; L110-L132 HydrophobicContact CG-CD2 3.74Å; L121-L132 HydrophobicContact CD2-CB 3.94Å; L121-L132 HydrophobicContact CD2-CD1 3.54Å; L121-L132 HydrophobicContact CD2-CG 4.41Å; E128-L132 HydrophobicContact CG-CD1 3.8Å; E128-L132 HydrophobicContact CG-CG 4.5Å; E128-L132 WeakPolarHBondContact O-CB 3.09Å; E128-L132 PolarHBondContact O-N 2.95Å
133C93.6Very high89.1Confident31 Ų3163.4 Ų63.421%0.20935%0.348CS..  trans-95.9133.6-164.5-58.30000112.3C129 R135 L136C129-C133 WeakPolarHBondContact O-CB 3.5Å; C129-C133 PolarHBondContact O-N 3.41Å; C133-R135 WeakPolarHBondContact CB-O 2.91Å; C133-L136 HydrophobicContact CB-CD2 3.44Å; C133-L136 VanDerWaalsContact CB-CD2 3.44Å; C133-L136 HydrophobicContact CB-CG 4.27Å
134S93.6Very high88.7Confident105 Ų10565.1 Ų65.173%0.73435%0.353SS*.SBendtrans-77.9-25.6166.956.10000112.4
135R93Very high88.4Confident123 Ų12366 Ų6646%0.46435%0.351SS..SBendtrans-138.8139.1176.5-60.7-177.172.3168.815.1109.8C133 G148 E277C133-R135 WeakPolarHBondContact CB-O 2.91Å; R135-G148 CarbonylContact C-O 3.53Å; R135-G148 WeakPolarHBondContact CA-O 3.15Å; R135-E277 IonicContact CZ-OE1 2.76Å; R135-E277 IonicContact NH1-OE1 3.33Å; R135-E277 IonicContact NH2-OE1 3.9Å; R135-E277 PolarHBondContact NH2-OE1 3.27Å
136L92.1Very high88.1Confident12 Ų1265.3 Ų65.36%0.06335%0.345CS..EExtended strand (participates in β ladder)trans-117.1140.6177.2-65.8-179.9000109.7M126 C129 C133 L147 G148 P150 L153M126-L136 HydrophobicContact SD-CD1 4.21Å; C129-L136 HydrophobicContact CB-CD1 4.18Å; C129-L136 HydrophobicContact CB-CD2 3.48Å; C129-L136 VanDerWaalsContact CB-CD2 3.48Å; C129-L136 HydrophobicContact CB-CG 4.49Å; C133-L136 HydrophobicContact CB-CD2 3.44Å; C133-L136 VanDerWaalsContact CB-CD2 3.44Å; C133-L136 HydrophobicContact CB-CG 4.27Å; L136-L147 CarbonylContact O-C 3.51Å; L136-L147 VanDerWaalsContact O-CA 3.27Å; L136-L147 WeakPolarHBondContact O-CA 3.39Å; L136-G148 PolarHBondContact N-O 2.87Å; L136-G148 PolarHBondContact O-N 3.26Å; L136-P150 HydrophobicContact CD1-CB 3.85Å; L136-P150 HydrophobicContact CD1-CG 3.74Å; L136-P150 HydrophobicContact CG-CG 3.95Å; L136-L153 HydrophobicContact CB-CD1 3.7Å
137A91.3Very high88.3Confident50 Ų5066.5 Ų66.541%0.41335%0.352SS..EExtended strand (participates in β ladder)trans-122.6125.5171.500000108.4F144 C146 L147A137-F144 HydrophobicContact CB-CD1 3.72Å; A137-F144 HydrophobicContact CB-CE1 3.67Å; A137-C146 CarbonylContact C-O 3.57Å; A137-C146 VanDerWaalsContact CA-O 3.28Å; A137-C146 WeakPolarHBondContact CA-O 3.35Å; A137-L147 HydrophobicContact CB-CD1 3.78Å
138I87.6Confident88.3Confident24 Ų2461.7 Ų61.712%0.12333%0.331CS..EExtended strand (participates in β ladder)trans-98.1126.6176.2-56.8-175.4000108.1V140 F144 R145 C146 L234I138-V140 HydrophobicContact CG2-CG2 4.21Å; I138-F144 CarbonylContact O-C 3.55Å; I138-F144 WeakPolarHBondContact O-CA 3.49Å; I138-R145 PolarHBondContact O-N 3.1Å; I138-C146 VanDerWaalsContact CB-SG 3.52Å; I138-C146 WeakPolarHBondContact CD1-SG 3.33Å; I138-C146 WeakPolarHBondContact CG1-SG 3.44Å; I138-C146 PolarHBondContact N-O 2.93Å; I138-L234 HydrophobicContact CD1-CD1 4.3Å; I138-L234 HydrophobicContact CD1-CD2 4.25Å
139M86.1Confident88.3Confident107 Ų10763.8 Ų63.853%0.52735%0.345SS..EExtended strand (participates in β ladder)trans-110131.1176.7-171.8177.2-63.400109.9R143 F144M139-R143 CarbonylContact C-O 3.58Å; M139-R143 WeakPolarHBondContact CA-O 3.48Å; M139-F144 HydrophobicContact CB-CD1 4.25Å; M139-F144 HydrophobicContact CB-CE1 4.44Å; M139-F144 HydrophobicContact CE-CD1 3.96Å; M139-F144 HydrophobicContact CE-CD2 4.31Å; M139-F144 HydrophobicContact CE-CE1 3.44Å; M139-F144 VanDerWaalsContact CE-CE1 3.44Å; M139-F144 HydrophobicContact CE-CE2 3.83Å; M139-F144 HydrophobicContact CE-CG 4.37Å; M139-F144 HydrophobicContact CE-CZ 3.37Å
140V81.4Confident88Confident51 Ų5163.9 Ų63.931%0.30935%0.346SS..EExtended strand (participates in β ladder)trans-134.2130.6176-177.80000108.1I138 G142 R143 R145I138-V140 HydrophobicContact CG2-CG2 4.21Å; V140-G142 PolarHBondContact O-N 2.84Å; V140-R143 PolarHBondContact N-O 3.04Å; V140-R143 PolarHBondContact O-N 2.59Å; V140-R143 VanDerWaalsContact O-O 3.1Å; V140-R145 HydrophobicContact CB-CG 3.7Å; V140-R145 HydrophobicContact CG2-CG 3.69Å
141N85.3Confident87.7Confident127 Ų12768.9 Ų68.968%0.67937%0.37SS*.THydrogen-bonded Turntrans50.343.7179.9-61.9-26000113.1R143N141-R143 VanDerWaalsContact C-N 3.26Å; N141-R143 PolarHBondContact O-N 3.36Å
142G85.5Confident87.3Confident67 Ų6770 Ų7069%0.69137%0.368SS*.THydrogen-bonded Turntrans71.511.6178.400000115.3V140V140-G142 PolarHBondContact O-N 2.84Å
143R83.3Confident86.8Confident185 Ų18568.9 Ų68.970%0.69836%0.362SS*.EExtended strand (participates in β ladder)trans-125.2137.6177.5-62.3-175.1-175.6173.75.3111M139 V140 N141 R145M139-R143 CarbonylContact C-O 3.58Å; M139-R143 WeakPolarHBondContact CA-O 3.48Å; V140-R143 PolarHBondContact N-O 3.04Å; V140-R143 PolarHBondContact O-N 2.59Å; V140-R143 VanDerWaalsContact O-O 3.1Å; N141-R143 VanDerWaalsContact C-N 3.26Å; N141-R143 PolarHBondContact O-N 3.36Å; R143-R145 PolarHBondContact O-N 3.27Å
144F84.8Confident86.1Confident63 Ų6369 Ų6928%0.27636%0.359SS..EExtended strand (participates in β ladder)trans-65.7128.3169.1-69.2-67.6000109.4A137 I138 M139 V266 F269A137-F144 HydrophobicContact CB-CD1 3.72Å; A137-F144 HydrophobicContact CB-CE1 3.67Å; I138-F144 CarbonylContact O-C 3.55Å; I138-F144 WeakPolarHBondContact O-CA 3.49Å; M139-F144 HydrophobicContact CB-CD1 4.25Å; M139-F144 HydrophobicContact CB-CE1 4.44Å; M139-F144 HydrophobicContact CE-CD1 3.96Å; M139-F144 HydrophobicContact CE-CD2 4.31Å; M139-F144 HydrophobicContact CE-CE1 3.44Å; M139-F144 VanDerWaalsContact CE-CE1 3.44Å; M139-F144 HydrophobicContact CE-CE2 3.83Å; M139-F144 HydrophobicContact CE-CG 4.37Å; M139-F144 HydrophobicContact CE-CZ 3.37Å; F144-V266 HydrophobicContact CE2-CG1 4.38Å; F144-F269 HydrophobicContact CB-CD1 4.05Å; F144-F269 HydrophobicContact CB-CD2 3.59Å; F144-F269 HydrophobicContact CB-CE1 3.8Å; F144-F269 HydrophobicContact CB-CE2 3.3Å; F144-F269 HydrophobicContact CB-CG 3.96Å; F144-F269 HydrophobicContact CB-CZ 3.42Å; F144-F269 VanDerWaalsContact CB-CZ 3.42Å; F144-F269 HydrophobicContact CD2-CD1 4.4Å; F144-F269 HydrophobicContact CD2-CG 4.48Å; F144-F269 HydrophobicContact CG-CD1 4.46Å; F144-F269 HydrophobicContact CG-CE1 4.34Å; F144-F269 HydrophobicContact CG-CZ 4.39Å; F144-F269 WeakPolarHBondContact O-CE2 3.47Å
145R81.9Confident85.2Confident154 Ų15467.2 Ų67.258%0.58136%0.357SS*.EExtended strand (participates in β ladder)trans-99-38.2178.8-70.8-62.2-166.2148.38111.9I138 V140 R143I138-R145 PolarHBondContact O-N 3.1Å; V140-R145 HydrophobicContact CB-CG 3.7Å; V140-R145 HydrophobicContact CG2-CG 3.69Å; R143-R145 PolarHBondContact O-N 3.27Å
146C81.9Confident84.2Confident11 Ų1167.3 Ų67.37%0.07436%0.357CS..EExtended strand (participates in β ladder)trans-149.5155.1176.263.70000111A137 I138 L153 F157A137-C146 CarbonylContact C-O 3.57Å; A137-C146 VanDerWaalsContact CA-O 3.28Å; A137-C146 WeakPolarHBondContact CA-O 3.35Å; I138-C146 VanDerWaalsContact CB-SG 3.52Å; I138-C146 WeakPolarHBondContact CD1-SG 3.33Å; I138-C146 WeakPolarHBondContact CG1-SG 3.44Å; I138-C146 PolarHBondContact N-O 2.93Å; C146-L153 HydrophobicContact CB-CD2 3.8Å; C146-F157 HydrophobicContact CB-CD2 4.42Å; C146-F157 HydrophobicContact CB-CE2 3.47Å; C146-F157 VanDerWaalsContact CB-CE2 3.47Å; C146-F157 HydrophobicContact CB-CZ 3.65Å
147L88.9Confident83.2Confident43 Ų4370.8 Ų70.823%0.22537%0.372CS..EExtended strand (participates in β ladder)trans-143.5130.7176.3173.472.1000107.9L136 A137 F269 L270L136-L147 CarbonylContact O-C 3.51Å; L136-L147 VanDerWaalsContact O-CA 3.27Å; L136-L147 WeakPolarHBondContact O-CA 3.39Å; A137-L147 HydrophobicContact CB-CD1 3.78Å; L147-F269 HydrophobicContact CB-CE1 3.69Å; L147-F269 HydrophobicContact CB-CZ 3.93Å; L147-F269 HydrophobicContact CD2-CE1 4.06Å; L147-F269 HydrophobicContact CG-CE1 4.48Å; L147-L270 HydrophobicContact CD2-CD2 4.36Å
148G88.1Confident82.1Confident5 Ų569 Ų695%0.05236%0.358CS..EExtended strand (participates in β ladder)trans176.1178.7-179.600000112.3R135 L136R135-G148 CarbonylContact C-O 3.53Å; R135-G148 WeakPolarHBondContact CA-O 3.15Å; L136-G148 PolarHBondContact N-O 2.87Å; L136-G148 PolarHBondContact O-N 3.26Å
149S89.5Confident81.2Confident44 Ų4469.3 Ų69.331%0.30836%0.363SS..  trans-65.8153.3168.269.20000110Q151 H152 L153S149-Q151 PolarHBondContact O-N 3.09Å; S149-Q151 VanDerWaalsContact O-N 3.16Å; S149-H152 WeakPolarHBondContact O-CB 3.45Å; S149-H152 PolarHBondContact O-N 3.18Å; S149-H152 WeakPolarHBondContact OG-CB 3.46Å; S149-H152 PolarHBondContact OG-N 3.2Å; S149-L153 PolarHBondContact O-N 3.06Å
150P86.3Confident80.8Confident19 Ų1964.4 Ų64.412%0.12334%0.34CS..Hα-helixtrans-51.1-40.4174.7-23.728.8000112.6E130 L136 L153 K154E130-P150 HydrophobicContact CG-CB 4.36Å; L136-P150 HydrophobicContact CD1-CB 3.85Å; L136-P150 HydrophobicContact CD1-CG 3.74Å; L136-P150 HydrophobicContact CG-CG 3.95Å; P150-L153 PolarHBondContact O-N 3.33Å; P150-K154 WeakPolarHBondContact O-CB 3.39Å; P150-K154 VanDerWaalsContact O-CG 3.25Å; P150-K154 WeakPolarHBondContact O-CG 3.3Å; P150-K154 PolarHBondContact O-N 2.93Å
151Q82.9Confident81Confident164 Ų16463.5 Ų63.577%0.76633%0.333SS*.Hα-helixtrans-66.4-42.3177.6-68.2169.2-14.900112.9S149 G155S149-Q151 PolarHBondContact O-N 3.09Å; S149-Q151 VanDerWaalsContact O-N 3.16Å; Q151-G155 PolarHBondContact O-N 2.79Å
152H83Confident81.2Confident61 Ų6157.5 Ų57.528%0.28230%0.301SS..Hα-helixtrans-60.2-51.2174.7-179.9135000110S149 K154 G155 R156S149-H152 WeakPolarHBondContact O-CB 3.45Å; S149-H152 PolarHBondContact O-N 3.18Å; S149-H152 WeakPolarHBondContact OG-CB 3.46Å; S149-H152 PolarHBondContact OG-N 3.2Å; H152-K154 VanDerWaalsContact C-N 3.32Å; H152-K154 PolarHBondContact O-N 2.9Å; H152-G155 PolarHBondContact O-N 2.67Å; H152-G155 VanDerWaalsContact O-N 3.11Å; H152-R156 WeakPolarHBondContact O-CB 3.48Å; H152-R156 PolarHBondContact O-N 2.98Å
153L81.9Confident81.4Confident1 Ų154.3 Ų54.31%0.00527%0.268CS..Hα-helixtrans-62.5-41.6-176.8-64.9-174.8000111.2L136 C146 S149 P150 R156 F157 L234L136-L153 HydrophobicContact CB-CD1 3.7Å; C146-L153 HydrophobicContact CB-CD2 3.8Å; S149-L153 PolarHBondContact O-N 3.06Å; P150-L153 PolarHBondContact O-N 3.33Å; L153-R156 PolarHBondContact O-N 3.28Å; L153-F157 HydrophobicContact CB-CD2 4.37Å; L153-F157 HydrophobicContact CD2-CD2 4.02Å; L153-F157 HydrophobicContact CD2-CE2 3.75Å; L153-F157 WeakPolarHBondContact O-CB 3.32Å; L153-F157 WeakPolarHBondContact O-CD2 3.46Å; L153-F157 PolarHBondContact O-N 3.44Å; L153-L234 HydrophobicContact CB-CD1 4.1Å
154K78.9Confident81.8Confident34 Ų3446.2 Ų46.215%0.14824%0.239CC..Hα-helixtrans-60.1-44.7171.7-75.5179.7-178.9-170.50112.4E130 P150 H152 R156 A158E130-K154 VanDerWaalsContact CD-CE 3.4Å; E130-K154 WeakPolarHBondContact OE1-CE 2.75Å; E130-K154 IonicContact OE1-NZ 2.76Å; E130-K154 PolarHBondContact OE1-NZ 2.86Å; E130-K154 IonicContact OE2-NZ 3.51Å; E130-K154 PolarHBondContact OE2-NZ 2.77Å; P150-K154 WeakPolarHBondContact O-CB 3.39Å; P150-K154 VanDerWaalsContact O-CG 3.25Å; P150-K154 WeakPolarHBondContact O-CG 3.3Å; P150-K154 PolarHBondContact O-N 2.93Å; H152-K154 VanDerWaalsContact C-N 3.32Å; H152-K154 PolarHBondContact O-N 2.9Å; K154-R156 VanDerWaalsContact C-N 3.3Å; K154-R156 PolarHBondContact O-N 2.96Å; K154-A158 WeakPolarHBondContact O-CA 3.48Å; K154-A158 WeakPolarHBondContact O-CB 3.48Å; K154-A158 PolarHBondContact O-N 3.08Å
155G74.9Confident82.2Confident66 Ų6643.3 Ų43.368%0.6823%0.226SC*.Hα-helixtrans-64.8-33.8178.500000113.7Q151 H152Q151-G155 PolarHBondContact O-N 2.79Å; H152-G155 PolarHBondContact O-N 2.67Å; H152-G155 VanDerWaalsContact O-N 3.11Å
156R73.4Confident82.8Confident126 Ų12643.1 Ų43.148%0.47523%0.226SC..Hα-helixtrans-86.6-36.9-176.8-176.9168.7178.8152.9-6.9113.7H152 L153 K154 S274H152-R156 WeakPolarHBondContact O-CB 3.48Å; H152-R156 PolarHBondContact O-N 2.98Å; L153-R156 PolarHBondContact O-N 3.28Å; K154-R156 VanDerWaalsContact C-N 3.3Å; K154-R156 PolarHBondContact O-N 2.96Å; R156-S274 PolarHBondContact NH2-O 3.45Å
157F70.4Confident83.3Confident84 Ų8442.8 Ų42.837%0.36822%0.223SC..Hα-helixtrans-118.3-15-169.4-60-75.1000114.1C146 L153 A159 L234C146-F157 HydrophobicContact CB-CD2 4.42Å; C146-F157 HydrophobicContact CB-CE2 3.47Å; C146-F157 VanDerWaalsContact CB-CE2 3.47Å; C146-F157 HydrophobicContact CB-CZ 3.65Å; L153-F157 HydrophobicContact CB-CD2 4.37Å; L153-F157 HydrophobicContact CD2-CD2 4.02Å; L153-F157 HydrophobicContact CD2-CE2 3.75Å; L153-F157 WeakPolarHBondContact O-CB 3.32Å; L153-F157 WeakPolarHBondContact O-CD2 3.46Å; L153-F157 PolarHBondContact O-N 3.44Å; F157-A159 PolarHBondContact O-N 3.34Å; F157-L234 HydrophobicContact CB-CD2 3.75Å
158A68.3Low83.3Confident14 Ų1443 Ų4312%0.11623%0.227CC..  trans-71.2131.4175.900000110.2K154 G160K154-A158 WeakPolarHBondContact O-CA 3.48Å; K154-A158 WeakPolarHBondContact O-CB 3.48Å; K154-A158 PolarHBondContact O-N 3.08Å; A158-G160 PolarHBondContact O-N 3.33Å
159A67.8Low83.1Confident29 Ų2946.6 Ų46.624%0.2426%0.256CS..  trans-70.125.6176.700000114.5F157 Q199 L200F157-A159 PolarHBondContact O-N 3.34Å; A159-Q199 PolarHBondContact O-NE2 3.47Å; A159-L200 VanDerWaalsContact O-O 3.13Å
160G79.5Confident82.8Confident5 Ų549 Ų495%0.05228%0.279CS..SBendtrans98.5-128.8-179.300000114.1A158 L200 T232A158-G160 PolarHBondContact O-N 3.33Å; G160-L200 CarbonylContact C-O 3.54Å; G160-L200 VanDerWaalsContact CA-O 3.3Å; G160-L200 WeakPolarHBondContact CA-O 3.37Å; G160-T232 PolarHBondContact O-N 2.72Å
161H85.6Confident82.8Confident32 Ų3254.3 Ų54.315%0.14830%0.296CS..EExtended strand (participates in β ladder)trans-124.7145.7-173.9-56.490.2000111.6L200 V229 S230H161-L200 HydrophobicContact CB-CB 4.43Å; H161-L200 PolarHBondContact N-O 3.01Å; H161-L200 WeakPolarHBondContact O-CB 3.35Å; H161-L200 PolarHBondContact O-N 2.77Å; H161-V229 HydrophobicContact CB-CG1 3.91Å; H161-S230 CarbonylContact C-O 3.56Å; H161-S230 WeakPolarHBondContact CA-O 3.15Å
162T88.1Confident83Confident1 Ų148.3 Ų48.31%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-94.7114.4170.4-580000108.7R197 F198 Q199 V229 S230 T232T162-R197 HydrophobicContact CG2-CG 3.73Å; T162-F198 CarbonylContact C-O 3.55Å; T162-F198 WeakPolarHBondContact CA-O 3.06Å; T162-Q199 PolarHBondContact OG1-OE1 3.19Å; T162-V229 WeakPolarHBondContact O-CA 3.47Å; T162-S230 PolarHBondContact N-O 3.41Å; T162-S230 PolarHBondContact O-N 3.27Å; T162-T232 PolarHBondContact OG1-OG1 2.85Å; T162-T232 VanDerWaalsContact OG1-OG1 3.07Å
163L90Very high83.1Confident0 Ų053.1 Ų53.10%030%0.295CS..EExtended strand (participates in β ladder)trans-95.7122.1172.7171.266000109.5L165 V179 R197 F198 L200 V211 L215 V229L163-L165 HydrophobicContact CD1-CD2 3.73Å; L163-L165 HydrophobicContact CD1-CG 4.48Å; L163-L165 HydrophobicContact CD2-CD2 4.17Å; L163-L165 HydrophobicContact CD2-CG 4.36Å; L163-L165 HydrophobicContact CG-CD2 3.96Å; L163-L165 HydrophobicContact CG-CG 4.2Å; L163-V179 HydrophobicContact CD2-CG1 4.23Å; L163-V179 HydrophobicContact CD2-CG2 4.1Å; L163-R197 CarbonylContact O-C 3.58Å; L163-R197 WeakPolarHBondContact O-CA 3.39Å; L163-F198 HydrophobicContact CB-CB 4.29Å; L163-F198 HydrophobicContact CD2-CD2 4.45Å; L163-F198 PolarHBondContact N-O 3.35Å; L163-F198 PolarHBondContact O-N 3.4Å; L163-L200 HydrophobicContact CB-CD1 3.83Å; L163-L200 HydrophobicContact CB-CG 4.04Å; L163-L200 HydrophobicContact CD2-CD1 4.34Å; L163-V211 HydrophobicContact CD1-CG1 4.29Å; L163-L215 HydrophobicContact CD1-CD1 3.42Å; L163-L215 VanDerWaalsContact CD1-CD1 3.42Å; L163-L215 HydrophobicContact CD2-CD1 4.07Å; L163-L215 HydrophobicContact CG-CD1 4.39Å; L163-V229 HydrophobicContact CD1-CG2 3.78Å
164T92.3Very high83.5Confident15 Ų1555.5 Ų55.59%0.09231%0.311CS..EExtended strand (participates in β ladder)trans-112.7122.9174.1-54.70000109.6R195 L196 F227 S228T164-R195 HydrophobicContact CG2-CG 3.67Å; T164-L196 CarbonylContact C-O 3.58Å; T164-L196 WeakPolarHBondContact CA-O 3.27Å; T164-F227 CarbonylContact O-C 3.59Å; T164-F227 VanDerWaalsContact O-CA 3.29Å; T164-F227 WeakPolarHBondContact O-CA 3.44Å; T164-S228 WeakPolarHBondContact CB-OG 3.32Å; T164-S228 PolarHBondContact N-O 3.32Å; T164-S228 PolarHBondContact O-N 2.81Å
165L93.1Very high83.9Confident1 Ų153.9 Ų53.91%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-109.9141.4176.2-56.1-176.3000110.2L163 V167 V179 R195 L196 F198 L215 V224 F227L163-L165 HydrophobicContact CD1-CD2 3.73Å; L163-L165 HydrophobicContact CD1-CG 4.48Å; L163-L165 HydrophobicContact CD2-CD2 4.17Å; L163-L165 HydrophobicContact CD2-CG 4.36Å; L163-L165 HydrophobicContact CG-CD2 3.96Å; L163-L165 HydrophobicContact CG-CG 4.2Å; L165-V167 HydrophobicContact CB-CG1 4.24Å; L165-V179 HydrophobicContact CD1-CG2 3.57Å; L165-R195 CarbonylContact O-C 3.58Å; L165-R195 VanDerWaalsContact O-CA 3.32Å; L165-R195 WeakPolarHBondContact O-CA 3.3Å; L165-L196 HydrophobicContact CB-CB 4.35Å; L165-L196 PolarHBondContact N-O 3.18Å; L165-L196 PolarHBondContact O-N 3.05Å; L165-F198 HydrophobicContact CD1-CE2 3.96Å; L165-F198 HydrophobicContact CG-CE2 4.37Å; L165-L215 HydrophobicContact CD2-CD1 4.25Å; L165-L215 HydrophobicContact CD2-CD2 3.76Å; L165-V224 HydrophobicContact CD1-CG2 4.14Å; L165-V224 HydrophobicContact CD2-CG1 4.06Å; L165-V224 HydrophobicContact CD2-CG2 4.48Å; L165-F227 HydrophobicContact CD2-CB 3.51Å
166R93.1Very high84.7Confident151 Ų15151.9 Ų51.957%0.5728%0.281SS*.EExtended strand (participates in β ladder)trans-103.9121.4164.4-175-179169.7138.74.3108.6G194 E225 D226R166-G194 CarbonylContact C-O 3.38Å; R166-G194 WeakPolarHBondContact CA-O 3.17Å; R166-E225 HydrophobicContact CG-CB 4.41Å; R166-E225 IonicContact CZ-OE2 3.99Å; R166-E225 IonicContact NE-OE2 3.04Å; R166-E225 PolarHBondContact NE-OE2 2.92Å; R166-E225 PolarHBondContact O-N 3.34Å; R166-D226 HydrophobicContact CB-CB 4.06Å; R166-D226 PolarHBondContact N-O 3.29Å
167V92.7Very high85.5Confident3 Ų348.9 Ų48.92%0.01828%0.283CS..  trans-140.3143.1-175.1-64.50000109.5L165 A175 G194 L196 V224L165-V167 HydrophobicContact CB-CG1 4.24Å; V167-A175 HydrophobicContact CB-CB 4.46Å; V167-A175 HydrophobicContact CG1-CB 3.62Å; V167-G194 PolarHBondContact N-O 2.95Å; V167-G194 CarbonylContact O-C 3.59Å; V167-G194 WeakPolarHBondContact O-CA 3.46Å; V167-L196 HydrophobicContact CG2-CD1 3.76Å; V167-L196 HydrophobicContact CG2-CG 3.8Å; V167-V224 HydrophobicContact CG1-CG2 4.14Å
168P89.9Confident86.5Confident48 Ų4845.5 Ų45.531%0.31227%0.268SS..  trans-56144.3167.5-2332.4000110.3A170 R171 S172 G223 E225P168-A170 PolarHBondContact O-N 2.93Å; P168-R171 HydrophobicContact CB-CB 4.49Å; P168-R171 HydrophobicContact CB-CG 4.49Å; P168-R171 WeakPolarHBondContact O-CA 3.49Å; P168-R171 PolarHBondContact O-N 3.21Å; P168-S172 PolarHBondContact O-N 2.84Å; P168-G223 WeakPolarHBondContact CD-O 3.47Å; P168-E225 HydrophobicContact CG-CG 4.44Å; P168-E225 WeakPolarHBondContact CG-OE1 3.49Å
169A82.9Confident87.6Confident80 Ų8044.8 Ų44.866%0.66126%0.262SS*.G310 helixtrans-53.1-37-178.700000112.8R171 S172A169-R171 VanDerWaalsContact C-N 3.25Å; A169-R171 PolarHBondContact O-N 3.08Å; A169-S172 WeakPolarHBondContact O-CB 3.41Å; A169-S172 PolarHBondContact O-N 2.83Å; A169-S172 PolarHBondContact O-OG 3.26Å
170A84.4Confident88.6Confident95 Ų9546.4 Ų46.479%0.78528%0.276SS*.G310 helixtrans-67.6-18.7176.900000114.6P168P168-A170 PolarHBondContact O-N 2.93Å
171R85.8Confident89.1Confident130 Ų13049.6 Ų49.649%0.49130%0.301SS..G310 helixtrans-108.55-178.9-65.8-69.4-172.1160.51.8113.1P168 A169 Q173 P174 A175P168-R171 HydrophobicContact CB-CB 4.49Å; P168-R171 HydrophobicContact CB-CG 4.49Å; P168-R171 WeakPolarHBondContact O-CA 3.49Å; P168-R171 PolarHBondContact O-N 3.21Å; A169-R171 VanDerWaalsContact C-N 3.25Å; A169-R171 PolarHBondContact O-N 3.08Å; R171-Q173 PolarHBondContact O-N 3.19Å; R171-P174 WeakPolarHBondContact O-CD 3.35Å; R171-A175 WeakPolarHBondContact O-CB 3.28Å; R171-A175 PolarHBondContact O-N 3.41Å
172S86.1Confident89.3Confident39 Ų3950.9 Ų50.927%0.27331%0.307SS..Hα-helixtrans-58-46.6179.356.30000113.4P168 A169 A176 L196P168-S172 PolarHBondContact O-N 2.84Å; A169-S172 WeakPolarHBondContact O-CB 3.41Å; A169-S172 PolarHBondContact O-N 2.83Å; A169-S172 PolarHBondContact O-OG 3.26Å; S172-A176 WeakPolarHBondContact O-CB 3.47Å; S172-A176 PolarHBondContact O-N 2.94Å; S172-L196 WeakPolarHBondContact O-CD1 3.47Å
173Q87.1Confident89.4Confident162 Ų16250.8 Ų50.876%0.75731%0.307SS*.Hα-helixtrans-65.9-49.6178.3-74.9176.5-400113R171 A175 A176 A177R171-Q173 PolarHBondContact O-N 3.19Å; Q173-A175 VanDerWaalsContact C-N 3.33Å; Q173-A175 PolarHBondContact O-N 3.35Å; Q173-A176 PolarHBondContact O-N 3.09Å; Q173-A177 WeakPolarHBondContact O-CB 3.09Å; Q173-A177 PolarHBondContact O-N 3.21Å
174P89.3Confident89.2Confident50 Ų5053.6 Ų53.633%0.32533%0.325SS..Hα-helixtrans-55-43.9173.6-28.532.6000114.1R171 A177 F178R171-P174 WeakPolarHBondContact O-CD 3.35Å; P174-A177 PolarHBondContact O-N 3.43Å; P174-F178 WeakPolarHBondContact O-CB 3.41Å; P174-F178 PolarHBondContact O-N 3.28Å
175A88.3Confident88.9Confident0 Ų055.6 Ų55.60%035%0.349CS..Hα-helixtrans-66.9-40.4179.200000112.1V167 R171 Q173 F178 V179 L196 V224V167-A175 HydrophobicContact CB-CB 4.46Å; V167-A175 HydrophobicContact CG1-CB 3.62Å; R171-A175 WeakPolarHBondContact O-CB 3.28Å; R171-A175 PolarHBondContact O-N 3.41Å; Q173-A175 VanDerWaalsContact C-N 3.33Å; Q173-A175 PolarHBondContact O-N 3.35Å; A175-F178 PolarHBondContact O-N 3.26Å; A175-V179 WeakPolarHBondContact O-CG2 3.42Å; A175-V179 PolarHBondContact O-N 3.45Å; A175-L196 HydrophobicContact CB-CD1 4.1Å; A175-V224 HydrophobicContact CB-CG2 4.48Å
176A90Very high88.7Confident24 Ų2456.5 Ų56.520%0.19836%0.357CS..Hα-helixtrans-64.9-39.617500000112.6S172 Q173 V179 A180 L196 F198S172-A176 WeakPolarHBondContact O-CB 3.47Å; S172-A176 PolarHBondContact O-N 2.94Å; Q173-A176 PolarHBondContact O-N 3.09Å; A176-V179 PolarHBondContact O-N 3.46Å; A176-A180 WeakPolarHBondContact O-CB 3.43Å; A176-A180 PolarHBondContact O-N 3.25Å; A176-L196 HydrophobicContact CB-CD1 4.33Å; A176-F198 HydrophobicContact CB-CE1 4.38Å; A176-F198 HydrophobicContact CB-CZ 3.97Å
177A90.6Very high88.5Confident63 Ų6354.4 Ų54.452%0.52135%0.353SS..Hα-helixtrans-64.9-40.5175.600000112.1Q173 P174 A180 A181Q173-A177 WeakPolarHBondContact O-CB 3.09Å; Q173-A177 PolarHBondContact O-N 3.21Å; P174-A177 PolarHBondContact O-N 3.43Å; A177-A180 PolarHBondContact O-N 3.5Å; A177-A181 WeakPolarHBondContact O-CB 3.44Å; A177-A181 PolarHBondContact O-N 3.48Å
178F91.4Very high88.3Confident13 Ų1358.4 Ų58.46%0.05737%0.374CS..Hα-helixtrans-58.5-50173.3165.8-105.1000111.7P174 A175 A180 A181 E182 E214 L215 H218 H222P174-F178 WeakPolarHBondContact O-CB 3.41Å; P174-F178 PolarHBondContact O-N 3.28Å; A175-F178 PolarHBondContact O-N 3.26Å; F178-A180 VanDerWaalsContact C-N 3.34Å; F178-A180 PolarHBondContact O-N 3.45Å; F178-A181 PolarHBondContact O-N 3.4Å; F178-E182 HydrophobicContact CD2-CG 3.89Å; F178-E182 HydrophobicContact CE2-CB 4.44Å; F178-E182 HydrophobicContact CE2-CG 3.46Å; F178-E182 VanDerWaalsContact CE2-CG 3.46Å; F178-E182 HydrophobicContact CZ-CG 3.99Å; F178-E182 PolarHBondContact O-N 3.09Å; F178-E214 HydrophobicContact CZ-CB 4.48Å; F178-L215 HydrophobicContact CE1-CD2 3.82Å; F178-H218 HydrophobicContact CE2-CB 3.69Å; F178-H218 HydrophobicContact CZ-CB 3.9Å; F178-H222 HydrophobicContact CB-CB 4.07Å; F178-H222 HydrophobicContact CD1-CB 4.44Å; F178-H222 AromaticContact CD2-CD2 3.13Å; F178-H222 WeakPolarHBondContact CD2-CD2 3.39Å; F178-H222 AromaticContact CD2-CE1 3.98Å; F178-H222 AromaticContact CD2-CG 3.82Å; F178-H222 AromaticContact CD2-NE2 3.26Å; F178-H222 VanDerWaalsContact CD2-NE2 3.26Å; F178-H222 WeakPolarHBondContact CD2-NE2 3.27Å; F178-H222 AromaticContact CE2-CD2 3.57Å; F178-H222 AromaticContact CE2-NE2 3.79Å; F178-H222 HydrophobicContact CG-CB 4.15Å; F178-H222 AromaticContact CG-CD2 3.47Å; F178-H222 VanDerWaalsContact CG-CD2 3.47Å; F178-H222 WeakPolarHBondContact CG-CD2 3.47Å; F178-H222 AromaticContact CG-CG 3.7Å; F178-H222 AromaticContact CG-NE2 3.96Å
179V90.9Very high88.2Confident0 Ų061.4 Ų61.40%038%0.379CS..Hα-helixtrans-61.1-43.6179.1172.70000111.5L163 L165 A175 A176 A181 F183 A186 F198L163-V179 HydrophobicContact CD2-CG1 4.23Å; L163-V179 HydrophobicContact CD2-CG2 4.1Å; L165-V179 HydrophobicContact CD1-CG2 3.57Å; A175-V179 WeakPolarHBondContact O-CG2 3.42Å; A175-V179 PolarHBondContact O-N 3.45Å; A176-V179 PolarHBondContact O-N 3.46Å; V179-A181 VanDerWaalsContact C-N 3.29Å; V179-A181 PolarHBondContact O-N 3.36Å; V179-F183 HydrophobicContact CB-CD2 4.43Å; V179-F183 HydrophobicContact CG1-CD2 4.01Å; V179-F183 WeakPolarHBondContact O-CA 3.48Å; V179-F183 WeakPolarHBondContact O-CB 3.44Å; V179-F183 WeakPolarHBondContact O-CD2 3.41Å; V179-F183 PolarHBondContact O-N 3.12Å; V179-A186 HydrophobicContact CG1-CB 3.85Å; V179-F198 HydrophobicContact CB-CD1 4.35Å; V179-F198 HydrophobicContact CB-CE1 4.06Å; V179-F198 HydrophobicContact CB-CE2 4.31Å; V179-F198 HydrophobicContact CB-CZ 4.05Å; V179-F198 HydrophobicContact CG1-CB 4.31Å; V179-F198 HydrophobicContact CG1-CD1 3.61Å; V179-F198 HydrophobicContact CG1-CD2 4.05Å; V179-F198 HydrophobicContact CG1-CE1 3.82Å; V179-F198 HydrophobicContact CG1-CE2 4.25Å; V179-F198 HydrophobicContact CG1-CG 3.73Å; V179-F198 HydrophobicContact CG1-CZ 4.15Å; V179-F198 HydrophobicContact CG2-CD2 4.35Å; V179-F198 HydrophobicContact CG2-CE2 4.01Å; V179-F198 HydrophobicContact CG2-CZ 4.17Å
180A90.1Very high88.4Confident63 Ų6362.5 Ų62.552%0.52137%0.371SS..Hα-helixtrans-65.3-31.8178.600000113A176 A177 F178A176-A180 WeakPolarHBondContact O-CB 3.43Å; A176-A180 PolarHBondContact O-N 3.25Å; A177-A180 PolarHBondContact O-N 3.5Å; F178-A180 VanDerWaalsContact C-N 3.34Å; F178-A180 PolarHBondContact O-N 3.45Å
181A90Very high88.4Confident71 Ų7161.1 Ų61.159%0.58736%0.359SS*.Hα-helixtrans-75.9-47.4177.600000112.5A177 F178 V179A177-A181 WeakPolarHBondContact O-CB 3.44Å; A177-A181 PolarHBondContact O-N 3.48Å; F178-A181 PolarHBondContact O-N 3.4Å; V179-A181 VanDerWaalsContact C-N 3.29Å; V179-A181 PolarHBondContact O-N 3.36Å
182E89.3Confident88.4Confident59 Ų5962.7 Ų62.728%0.27637%0.372SS..Hα-helixtrans-78.6-30.1-176-73.9-52.6136.100113.5F178 P184 R210F178-E182 HydrophobicContact CD2-CG 3.89Å; F178-E182 HydrophobicContact CE2-CB 4.44Å; F178-E182 HydrophobicContact CE2-CG 3.46Å; F178-E182 VanDerWaalsContact CE2-CG 3.46Å; F178-E182 HydrophobicContact CZ-CG 3.99Å; F178-E182 PolarHBondContact O-N 3.09Å; E182-P184 WeakPolarHBondContact O-CD 3.38Å; E182-R210 IonicContact OE2-NH2 2.9Å
183F90.4Very high88.1Confident0 Ų064.7 Ų64.70%040%0.398CS..SBendtrans-121.484.4-175.8-50.9-66.5000111V179 G185 A186 L200 V211 E214V179-F183 HydrophobicContact CB-CD2 4.43Å; V179-F183 HydrophobicContact CG1-CD2 4.01Å; V179-F183 WeakPolarHBondContact O-CA 3.48Å; V179-F183 WeakPolarHBondContact O-CB 3.44Å; V179-F183 WeakPolarHBondContact O-CD2 3.41Å; V179-F183 PolarHBondContact O-N 3.12Å; F183-G185 PolarHBondContact O-N 2.98Å; F183-A186 HydrophobicContact CB-CB 4.07Å; F183-A186 WeakPolarHBondContact O-CB 3.45Å; F183-A186 PolarHBondContact O-N 2.63Å; F183-L200 HydrophobicContact CB-CD2 4.01Å; F183-L200 HydrophobicContact CG-CD2 4.39Å; F183-V211 HydrophobicContact CD1-CG2 4Å; F183-V211 HydrophobicContact CE1-CB 4.1Å; F183-V211 HydrophobicContact CE1-CG1 4.47Å; F183-V211 HydrophobicContact CE1-CG2 3.62Å; F183-V211 HydrophobicContact CZ-CB 4.24Å; F183-V211 HydrophobicContact CZ-CG1 4.2Å; F183-V211 HydrophobicContact CZ-CG2 4.18Å; F183-E214 HydrophobicContact CZ-CB 3.96Å; F183-E214 HydrophobicContact CZ-CG 4.41Å
184P86.1Confident88Confident58 Ų5857.9 Ų57.938%0.37737%0.372SS..THydrogen-bonded Turntrans-59.2131.1178.7-25.235.2000111.9E182E182-P184 WeakPolarHBondContact O-CD 3.38Å
185G85.4Confident88.1Confident57 Ų5762.9 Ų62.959%0.58838%0.384SS*.THydrogen-bonded Turntrans85.94-176.100000114.3F183 E187 P201F183-G185 PolarHBondContact O-N 2.98Å; G185-E187 PolarHBondContact O-N 3.18Å; G185-P201 WeakPolarHBondContact O-CD 3.26Å
186A88.6Confident88.2Confident21 Ų2163.1 Ų63.117%0.17439%0.385CS..  trans-64.8120.9169.100000110.9V179 F183 Q199 L200V179-A186 HydrophobicContact CG1-CB 3.85Å; F183-A186 HydrophobicContact CB-CB 4.07Å; F183-A186 WeakPolarHBondContact O-CB 3.45Å; F183-A186 PolarHBondContact O-N 2.63Å; A186-Q199 WeakPolarHBondContact CA-O 3.38Å; A186-L200 HydrophobicContact CB-CD2 3.45Å; A186-L200 VanDerWaalsContact CB-CD2 3.45Å
187E88.8Confident88.2Confident106 Ų10664.7 Ų64.750%0.49539%0.386SS..EExtended strand (participates in β ladder)trans-104.7123.4177.9-68.5-177.5178.500110.5G185 R189 F198 Q199G185-E187 PolarHBondContact O-N 3.18Å; E187-R189 PolarHBondContact O-N 2.97Å; E187-R189 IonicContact OE2-CZ 3.84Å; E187-R189 IonicContact OE2-NE 2.85Å; E187-R189 IonicContact OE2-NH1 3.26Å; E187-R189 IonicContact OE2-NH2 3.75Å; E187-R189 PolarHBondContact OE2-NH2 3.05Å; E187-F198 CarbonylContact O-C 3.53Å; E187-F198 VanDerWaalsContact O-CA 3.26Å; E187-F198 WeakPolarHBondContact O-CA 3.43Å; E187-Q199 HydrophobicContact CB-CB 4.5Å; E187-Q199 PolarHBondContact N-O 2.91Å; E187-Q199 PolarHBondContact O-N 3.18Å
188L89.3Confident88.2Confident88 Ų8862 Ų6246%0.46136%0.363SS..EExtended strand (participates in β ladder)trans-71.8115.1173.1-178.768.2000109.5E190 A191 L196 F198L188-E190 WeakPolarHBondContact CD1-O 3.34Å; L188-A191 HydrophobicContact CD1-CB 4.45Å; L188-A191 HydrophobicContact CD2-CB 4.18Å; L188-L196 HydrophobicContact CD1-CB 4.22Å; L188-L196 HydrophobicContact CD1-CD2 4.33Å; L188-F198 HydrophobicContact CB-CD1 3.99Å; L188-F198 HydrophobicContact CB-CE1 3.85Å; L188-F198 HydrophobicContact CD1-CD1 3.98Å; L188-F198 HydrophobicContact CD1-CD2 4.43Å; L188-F198 HydrophobicContact CD1-CE1 3.57Å; L188-F198 HydrophobicContact CD1-CE2 4.05Å; L188-F198 HydrophobicContact CD1-CG 4.39Å; L188-F198 HydrophobicContact CD1-CZ 3.59Å; L188-F198 HydrophobicContact CG-CE1 4.24Å
189R87Confident88.1Confident110 Ų11062.2 Ų62.242%0.41536%0.364SS..EExtended strand (participates in β ladder)trans-93-41.3179.7-64.7-66178.5179.1-7112.3E187 R197 Q199E187-R189 PolarHBondContact O-N 2.97Å; E187-R189 IonicContact OE2-CZ 3.84Å; E187-R189 IonicContact OE2-NE 2.85Å; E187-R189 IonicContact OE2-NH1 3.26Å; E187-R189 IonicContact OE2-NH2 3.75Å; E187-R189 PolarHBondContact OE2-NH2 3.05Å; R189-R197 PolarHBondContact N-O 3.23Å; R189-Q199 HydrophobicContact CG-CB 4.01Å
190E86.6Confident88Confident104 Ų10462.2 Ų62.249%0.48636%0.364SS..EExtended strand (participates in β ladder)trans-140.5139-177.7-61168.3-161.500110.5L188 L196 R197L188-E190 WeakPolarHBondContact CD1-O 3.34Å; E190-L196 WeakPolarHBondContact O-CA 3.5Å; E190-R197 HydrophobicContact CB-CB 3.9Å; E190-R197 PolarHBondContact N-O 3Å; E190-R197 PolarHBondContact O-N 2.91Å; E190-R197 IonicContact OE1-NH1 2.57Å; E190-R197 PolarHBondContact OE1-NH1 3.3Å
191A86.3Confident87.7Confident65 Ų6561.3 Ų61.354%0.53735%0.353SS..EExtended strand (participates in β ladder)trans-138.496.9170.800000109.2L188 R195 L196L188-A191 HydrophobicContact CD1-CB 4.45Å; L188-A191 HydrophobicContact CD2-CB 4.18Å; A191-R195 WeakPolarHBondContact CA-O 3.49Å; A191-L196 HydrophobicContact CB-CD2 3.58Å
192H85.5Confident87.2Confident164 Ų16462.4 Ų62.476%0.75935%0.354SS*.EExtended strand (participates in β ladder)trans-147.4138-178.4-156.789.4000111.9G194 R195H192-G194 VanDerWaalsContact C-N 3.28Å; H192-G194 PolarHBondContact O-N 3.29Å; H192-R195 PolarHBondContact N-O 3.46Å; H192-R195 WeakPolarHBondContact O-CB 3.37Å; H192-R195 PolarHBondContact O-N 3.45Å
193G79.6Confident86.6Confident80 Ų8061.6 Ų61.683%0.82536%0.362SS*.THydrogen-bonded Turntrans59.330.9170.500000115.6R195G193-R195 VanDerWaalsContact C-N 3.27Å; G193-R195 PolarHBondContact O-N 3.03Å
194G84.1Confident86.1Confident20 Ų2065 Ų6521%0.20640%0.396CS..THydrogen-bonded Turntrans76.713.3-175.100000114.1R166 V167 H192R166-G194 CarbonylContact C-O 3.38Å; R166-G194 WeakPolarHBondContact CA-O 3.17Å; V167-G194 PolarHBondContact N-O 2.95Å; V167-G194 CarbonylContact O-C 3.59Å; V167-G194 WeakPolarHBondContact O-CA 3.46Å; H192-G194 VanDerWaalsContact C-N 3.28Å; H192-G194 PolarHBondContact O-N 3.29Å
195R90.8Very high85.7Confident154 Ų15469.3 Ų69.358%0.58141%0.405SS*.EExtended strand (participates in β ladder)trans-110.2128.2171.5-155.9177.5-152.3-164.10.6109.4T164 L165 A191 H192 G193T164-R195 HydrophobicContact CG2-CG 3.67Å; L165-R195 CarbonylContact O-C 3.58Å; L165-R195 VanDerWaalsContact O-CA 3.32Å; L165-R195 WeakPolarHBondContact O-CA 3.3Å; A191-R195 WeakPolarHBondContact CA-O 3.49Å; H192-R195 PolarHBondContact N-O 3.46Å; H192-R195 WeakPolarHBondContact O-CB 3.37Å; H192-R195 PolarHBondContact O-N 3.45Å; G193-R195 VanDerWaalsContact C-N 3.27Å; G193-R195 PolarHBondContact O-N 3.03Å
196L91.2Very high85.4Confident6 Ų666.7 Ų66.73%0.03138%0.378CS..EExtended strand (participates in β ladder)trans-115130.5174-57.3177.4000108.8T164 L165 V167 S172 A175 A176 L188 E190 A191 F198T164-L196 CarbonylContact C-O 3.58Å; T164-L196 WeakPolarHBondContact CA-O 3.27Å; L165-L196 HydrophobicContact CB-CB 4.35Å; L165-L196 PolarHBondContact N-O 3.18Å; L165-L196 PolarHBondContact O-N 3.05Å; V167-L196 HydrophobicContact CG2-CD1 3.76Å; V167-L196 HydrophobicContact CG2-CG 3.8Å; S172-L196 WeakPolarHBondContact O-CD1 3.47Å; A175-L196 HydrophobicContact CB-CD1 4.1Å; A176-L196 HydrophobicContact CB-CD1 4.33Å; L188-L196 HydrophobicContact CD1-CB 4.22Å; L188-L196 HydrophobicContact CD1-CD2 4.33Å; E190-L196 WeakPolarHBondContact O-CA 3.5Å; A191-L196 HydrophobicContact CB-CD2 3.58Å; L196-F198 HydrophobicContact CB-CD2 4.33Å; L196-F198 HydrophobicContact CB-CE2 3.5Å; L196-F198 VanDerWaalsContact CB-CE2 3.5Å; L196-F198 HydrophobicContact CB-CZ 4.07Å; L196-F198 HydrophobicContact CD1-CE2 4.16Å; L196-F198 HydrophobicContact CD1-CZ 4.16Å; L196-F198 HydrophobicContact CG-CE2 4.48Å
197R91.1Very high85.2Confident57 Ų5767.6 Ų67.622%0.21539%0.385CS..EExtended strand (participates in β ladder)trans-119.2121.2179.5-167.4-178.7-179.7171.34.7109.7T162 L163 R189 E190 E236T162-R197 HydrophobicContact CG2-CG 3.73Å; L163-R197 CarbonylContact O-C 3.58Å; L163-R197 WeakPolarHBondContact O-CA 3.39Å; R189-R197 PolarHBondContact N-O 3.23Å; E190-R197 HydrophobicContact CB-CB 3.9Å; E190-R197 PolarHBondContact N-O 3Å; E190-R197 PolarHBondContact O-N 2.91Å; E190-R197 IonicContact OE1-NH1 2.57Å; E190-R197 PolarHBondContact OE1-NH1 3.3Å; R197-E236 IonicContact CZ-OE1 3.32Å; R197-E236 IonicContact NH1-OE1 3.8Å; R197-E236 VanDerWaalsContact NH2-CD 3.28Å; R197-E236 IonicContact NH2-OE1 3.21Å; R197-E236 PolarHBondContact NH2-OE1 3.4Å; R197-E236 IonicContact NH2-OE2 3.9Å; R197-E236 PolarHBondContact NH2-OE2 3.19Å
198F89.9Confident85Confident6 Ų666.3 Ų66.33%0.02638%0.381CS..EExtended strand (participates in β ladder)trans-115.7140.9179.9-59.6-94.5000110.8T162 L163 L165 A176 V179 E187 L188 L196 L200T162-F198 CarbonylContact C-O 3.55Å; T162-F198 WeakPolarHBondContact CA-O 3.06Å; L163-F198 HydrophobicContact CB-CB 4.29Å; L163-F198 HydrophobicContact CD2-CD2 4.45Å; L163-F198 PolarHBondContact N-O 3.35Å; L163-F198 PolarHBondContact O-N 3.4Å; L165-F198 HydrophobicContact CD1-CE2 3.96Å; L165-F198 HydrophobicContact CG-CE2 4.37Å; A176-F198 HydrophobicContact CB-CE1 4.38Å; A176-F198 HydrophobicContact CB-CZ 3.97Å; V179-F198 HydrophobicContact CB-CD1 4.35Å; V179-F198 HydrophobicContact CB-CE1 4.06Å; V179-F198 HydrophobicContact CB-CE2 4.31Å; V179-F198 HydrophobicContact CB-CZ 4.05Å; V179-F198 HydrophobicContact CG1-CB 4.31Å; V179-F198 HydrophobicContact CG1-CD1 3.61Å; V179-F198 HydrophobicContact CG1-CD2 4.05Å; V179-F198 HydrophobicContact CG1-CE1 3.82Å; V179-F198 HydrophobicContact CG1-CE2 4.25Å; V179-F198 HydrophobicContact CG1-CG 3.73Å; V179-F198 HydrophobicContact CG1-CZ 4.15Å; V179-F198 HydrophobicContact CG2-CD2 4.35Å; V179-F198 HydrophobicContact CG2-CE2 4.01Å; V179-F198 HydrophobicContact CG2-CZ 4.17Å; E187-F198 CarbonylContact O-C 3.53Å; E187-F198 VanDerWaalsContact O-CA 3.26Å; E187-F198 WeakPolarHBondContact O-CA 3.43Å; L188-F198 HydrophobicContact CB-CD1 3.99Å; L188-F198 HydrophobicContact CB-CE1 3.85Å; L188-F198 HydrophobicContact CD1-CD1 3.98Å; L188-F198 HydrophobicContact CD1-CD2 4.43Å; L188-F198 HydrophobicContact CD1-CE1 3.57Å; L188-F198 HydrophobicContact CD1-CE2 4.05Å; L188-F198 HydrophobicContact CD1-CG 4.39Å; L188-F198 HydrophobicContact CD1-CZ 3.59Å; L188-F198 HydrophobicContact CG-CE1 4.24Å; L196-F198 HydrophobicContact CB-CD2 4.33Å; L196-F198 HydrophobicContact CB-CE2 3.5Å; L196-F198 VanDerWaalsContact CB-CE2 3.5Å; L196-F198 HydrophobicContact CB-CZ 4.07Å; L196-F198 HydrophobicContact CD1-CE2 4.16Å; L196-F198 HydrophobicContact CD1-CZ 4.16Å; L196-F198 HydrophobicContact CG-CE2 4.48Å; F198-L200 HydrophobicContact CB-CD2 4.35Å
199Q88.8Confident84.8Confident17 Ų1766.2 Ų66.28%0.07939%0.393CS..EExtended strand (participates in β ladder)trans-94116.4165.8-172.864.42900108.3A159 T162 A186 E187 R189 T232A159-Q199 PolarHBondContact O-NE2 3.47Å; T162-Q199 PolarHBondContact OG1-OE1 3.19Å; A186-Q199 WeakPolarHBondContact CA-O 3.38Å; E187-Q199 HydrophobicContact CB-CB 4.5Å; E187-Q199 PolarHBondContact N-O 2.91Å; E187-Q199 PolarHBondContact O-N 3.18Å; R189-Q199 HydrophobicContact CG-CB 4.01Å; Q199-T232 PolarHBondContact NE2-OG1 3.45Å; Q199-T232 PolarHBondContact OE1-OG1 3.07Å
200L88.8Confident84.8Confident0 Ų065.5 Ų65.50%039%0.39CS..EExtended strand (participates in β ladder)trans-98.6132.3178.2-56.1-177.2000109.8A159 G160 H161 L163 F183 A186 F198 C206 V211A159-L200 VanDerWaalsContact O-O 3.13Å; G160-L200 CarbonylContact C-O 3.54Å; G160-L200 VanDerWaalsContact CA-O 3.3Å; G160-L200 WeakPolarHBondContact CA-O 3.37Å; H161-L200 HydrophobicContact CB-CB 4.43Å; H161-L200 PolarHBondContact N-O 3.01Å; H161-L200 WeakPolarHBondContact O-CB 3.35Å; H161-L200 PolarHBondContact O-N 2.77Å; L163-L200 HydrophobicContact CB-CD1 3.83Å; L163-L200 HydrophobicContact CB-CG 4.04Å; L163-L200 HydrophobicContact CD2-CD1 4.34Å; F183-L200 HydrophobicContact CB-CD2 4.01Å; F183-L200 HydrophobicContact CG-CD2 4.39Å; A186-L200 HydrophobicContact CB-CD2 3.45Å; A186-L200 VanDerWaalsContact CB-CD2 3.45Å; F198-L200 HydrophobicContact CB-CD2 4.35Å; L200-C206 HydrophobicContact CB-CB 4.22Å; L200-V211 HydrophobicContact CD1-CG1 3.97Å; L200-V211 HydrophobicContact CD1-CG2 3.68Å
201P85.1Confident85Confident45 Ų4560.6 Ų60.629%0.29237%0.367SS..PPolyproline II helixtrans-65.7154.9177.327.1-34.8000111.6G185 C206G185-P201 WeakPolarHBondContact O-CD 3.26Å; P201-C206 HydrophobicContact CG-CB 4.35Å; P201-C206 WeakPolarHBondContact O-CB 3.16Å
202P78.5Confident85.1Confident93 Ų9361.4 Ų61.460%0.60436%0.359SS*.SBendtrans-70.9135.6178.427.1-31.7000111.9
203G76.4Confident85.3Confident43 Ų4355.2 Ų55.244%0.44334%0.339SS..SBendtrans82.4-179.4169.400000116.2R205 C206G203-R205 PolarHBondContact O-N 3.33Å; G203-C206 PolarHBondContact O-N 3.42Å; G203-C206 VanDerWaalsContact O-N 3.11Å
204G80.3Confident85.8Confident70 Ų7053.5 Ų53.572%0.72231%0.31SS*.G310 helixtrans60.4-125.1177.300000113.9C206 A207G204-C206 PolarHBondContact O-N 3.23Å; G204-A207 PolarHBondContact O-N 3.37Å
205R77.1Confident86.2Confident150 Ų15052.7 Ų52.757%0.56630%0.301SS*.G310 helixtrans-70.8-13.2178.7-69-162.2-101-129.6-1.2113.8G203 R210G203-R205 PolarHBondContact O-N 3.33Å; R205-R210 WeakPolarHBondContact O-CD 3.32Å
206C79.9Confident86.1Confident2 Ų248.8 Ų48.81%0.01430%0.302CS..G310 helixtrans-102.219.8179.7-60.80000112.2L200 P201 G203 G204L200-C206 HydrophobicContact CB-CB 4.22Å; P201-C206 HydrophobicContact CG-CB 4.35Å; P201-C206 WeakPolarHBondContact O-CB 3.16Å; G203-C206 PolarHBondContact O-N 3.42Å; G203-C206 VanDerWaalsContact O-N 3.11Å; G204-C206 PolarHBondContact O-N 3.23Å
207A83.3Confident86.1Confident40 Ų4053.1 Ų53.133%0.33133%0.328SS..  trans-63.2136.917200000110.7G204 A209 R210 V211G204-A207 PolarHBondContact O-N 3.37Å; A207-A209 VanDerWaalsContact C-N 3.31Å; A207-A209 PolarHBondContact O-N 2.76Å; A207-R210 WeakPolarHBondContact O-CA 3.38Å; A207-R210 WeakPolarHBondContact O-CB 3.43Å; A207-R210 PolarHBondContact O-N 2.75Å; A207-V211 PolarHBondContact O-N 2.99Å
208L84.9Confident86Confident79 Ų7953.6 Ų53.641%0.41433%0.332SS..Hα-helixtrans-52.8-45.3-172.5-168.8138.5000112.7R210 V211 F212 V229L208-R210 VanDerWaalsContact C-N 3.29Å; L208-R210 PolarHBondContact O-N 3.38Å; L208-V211 PolarHBondContact O-N 3.11Å; L208-F212 HydrophobicContact CD1-CE2 4.46Å; L208-F212 HydrophobicContact CD2-CD2 3.66Å; L208-F212 HydrophobicContact CD2-CE2 3.68Å; L208-F212 HydrophobicContact CG-CD2 3.93Å; L208-F212 HydrophobicContact CG-CE2 3.88Å; L208-F212 WeakPolarHBondContact O-CD2 3.29Å; L208-F212 PolarHBondContact O-N 2.97Å; L208-V229 HydrophobicContact CD1-CG1 4.2Å
209A85.6Confident85.8Confident85 Ų8553.3 Ų53.370%0.70233%0.331SS*.Hα-helixtrans-58.5-38.4177.400000113.3A207 G213A207-A209 VanDerWaalsContact C-N 3.31Å; A207-A209 PolarHBondContact O-N 2.76Å; A209-G213 PolarHBondContact O-N 2.9Å
210R87.4Confident85.8Confident96 Ų9656.2 Ų56.236%0.36236%0.358SS..Hα-helixtrans-73.6-42.3177.5-179.4173.4171.2156.52.6111.4E182 R205 A207 L208 F212 G213 E214E182-R210 IonicContact OE2-NH2 2.9Å; R205-R210 WeakPolarHBondContact O-CD 3.32Å; A207-R210 WeakPolarHBondContact O-CA 3.38Å; A207-R210 WeakPolarHBondContact O-CB 3.43Å; A207-R210 PolarHBondContact O-N 2.75Å; L208-R210 VanDerWaalsContact C-N 3.29Å; L208-R210 PolarHBondContact O-N 3.38Å; R210-F212 VanDerWaalsContact C-N 3.31Å; R210-F212 PolarHBondContact O-N 3.17Å; R210-G213 PolarHBondContact O-N 3.28Å; R210-G213 VanDerWaalsContact O-N 3.11Å; R210-E214 HydrophobicContact CG-CG 4.03Å; R210-E214 WeakPolarHBondContact O-CG 3.39Å; R210-E214 PolarHBondContact O-N 3.32Å
211V89.6Confident85.8Confident0 Ų063 Ų630%039%0.39CS..Hα-helixtrans-55.8-49176.6176.20000110.5L163 F183 L200 A207 L208 L215 V229L163-V211 HydrophobicContact CD1-CG1 4.29Å; F183-V211 HydrophobicContact CD1-CG2 4Å; F183-V211 HydrophobicContact CE1-CB 4.1Å; F183-V211 HydrophobicContact CE1-CG1 4.47Å; F183-V211 HydrophobicContact CE1-CG2 3.62Å; F183-V211 HydrophobicContact CZ-CB 4.24Å; F183-V211 HydrophobicContact CZ-CG1 4.2Å; F183-V211 HydrophobicContact CZ-CG2 4.18Å; L200-V211 HydrophobicContact CD1-CG1 3.97Å; L200-V211 HydrophobicContact CD1-CG2 3.68Å; A207-V211 PolarHBondContact O-N 2.99Å; L208-V211 PolarHBondContact O-N 3.11Å; V211-L215 HydrophobicContact CG1-CD1 3.77Å; V211-L215 WeakPolarHBondContact O-CB 3.42Å; V211-L215 WeakPolarHBondContact O-CD1 3.37Å; V211-L215 WeakPolarHBondContact O-CG 3.47Å; V211-L215 PolarHBondContact O-N 3.04Å; V211-L215 VanDerWaalsContact O-N 3.12Å; V211-V229 HydrophobicContact CG1-CG2 3.8Å
212F89.6Confident85.9Confident83 Ų8363.7 Ų63.736%0.36439%0.389SS..Hα-helixtrans-62.7-42.6174.8-86.5-85.8000112.5L208 R210 A216 F227 V229L208-F212 HydrophobicContact CD1-CE2 4.46Å; L208-F212 HydrophobicContact CD2-CD2 3.66Å; L208-F212 HydrophobicContact CD2-CE2 3.68Å; L208-F212 HydrophobicContact CG-CD2 3.93Å; L208-F212 HydrophobicContact CG-CE2 3.88Å; L208-F212 WeakPolarHBondContact O-CD2 3.29Å; L208-F212 PolarHBondContact O-N 2.97Å; R210-F212 VanDerWaalsContact C-N 3.31Å; R210-F212 PolarHBondContact O-N 3.17Å; F212-A216 WeakPolarHBondContact O-CB 3.46Å; F212-A216 PolarHBondContact O-N 3.41Å; F212-F227 HydrophobicContact CD1-CD2 4.49Å; F212-F227 AromaticContact CD1-CE2 3.42Å; F212-F227 HydrophobicContact CD1-CE2 3.42Å; F212-F227 VanDerWaalsContact CD1-CE2 3.42Å; F212-F227 AromaticContact CD1-CZ 3.99Å; F212-F227 HydrophobicContact CD1-CZ 3.99Å; F212-F227 HydrophobicContact CE1-CD2 4.37Å; F212-F227 AromaticContact CE1-CE2 3.61Å; F212-F227 HydrophobicContact CE1-CE2 3.61Å; F212-F227 HydrophobicContact CE1-CZ 4.39Å; F212-F227 HydrophobicContact CG-CE2 4.22Å; F212-V229 HydrophobicContact CD2-CG2 4.23Å; F212-V229 HydrophobicContact CE2-CB 3.68Å; F212-V229 HydrophobicContact CE2-CG1 4.43Å; F212-V229 HydrophobicContact CE2-CG2 3.72Å; F212-V229 HydrophobicContact CZ-CB 3.96Å; F212-V229 HydrophobicContact CZ-CG2 3.95Å
213G89.5Confident86.2Confident34 Ų3460 Ų6035%0.35137%0.368SS..Hα-helixtrans-60.7-51.1179.100000113.2A209 R210 A216 V217A209-G213 PolarHBondContact O-N 2.9Å; R210-G213 PolarHBondContact O-N 3.28Å; R210-G213 VanDerWaalsContact O-N 3.11Å; G213-A216 PolarHBondContact O-N 3.23Å; G213-V217 VanDerWaalsContact O-CG2 3.32Å; G213-V217 WeakPolarHBondContact O-CG2 3.19Å; G213-V217 PolarHBondContact O-N 2.59Å
214E90.9Very high86.8Confident43 Ų4358.7 Ų58.720%0.20135%0.351CS..Hα-helixtrans-66.6-40.4-178.9-65.5-59.9160.800112.1F178 F183 R210 V217 H218F178-E214 HydrophobicContact CZ-CB 4.48Å; F183-E214 HydrophobicContact CZ-CB 3.96Å; F183-E214 HydrophobicContact CZ-CG 4.41Å; R210-E214 HydrophobicContact CG-CG 4.03Å; R210-E214 WeakPolarHBondContact O-CG 3.39Å; R210-E214 PolarHBondContact O-N 3.32Å; E214-V217 PolarHBondContact O-N 2.61Å; E214-H218 WeakPolarHBondContact O-CB 3.45Å; E214-H218 PolarHBondContact O-N 2.8Å; E214-H218 IonicContact OE2-CE1 3.7Å; E214-H218 PolarHBondContact OE2-CE1 3.41Å; E214-H218 VanDerWaalsContact OE2-CE1 3.26Å; E214-H218 IonicContact OE2-ND1 3.72Å; E214-H218 PolarHBondContact OE2-ND1 3.02Å
215L91Very high87.3Confident4 Ų460.9 Ų60.92%0.02134%0.343CS..Hα-helixtrans-68.5-35.6176.9-75.8164.6000112.4L163 L165 F178 V211 G219 F227L163-L215 HydrophobicContact CD1-CD1 3.42Å; L163-L215 VanDerWaalsContact CD1-CD1 3.42Å; L163-L215 HydrophobicContact CD2-CD1 4.07Å; L163-L215 HydrophobicContact CG-CD1 4.39Å; L165-L215 HydrophobicContact CD2-CD1 4.25Å; L165-L215 HydrophobicContact CD2-CD2 3.76Å; F178-L215 HydrophobicContact CE1-CD2 3.82Å; V211-L215 HydrophobicContact CG1-CD1 3.77Å; V211-L215 WeakPolarHBondContact O-CB 3.42Å; V211-L215 WeakPolarHBondContact O-CD1 3.37Å; V211-L215 WeakPolarHBondContact O-CG 3.47Å; V211-L215 PolarHBondContact O-N 3.04Å; V211-L215 VanDerWaalsContact O-N 3.12Å; L215-G219 WeakPolarHBondContact O-CA 3.39Å; L215-G219 PolarHBondContact O-N 3.07Å; L215-F227 HydrophobicContact CB-CD1 4.14Å; L215-F227 HydrophobicContact CB-CD2 4.07Å; L215-F227 HydrophobicContact CB-CE1 4.04Å; L215-F227 HydrophobicContact CB-CE2 3.94Å; L215-F227 HydrophobicContact CB-CG 4.16Å; L215-F227 HydrophobicContact CB-CZ 3.93Å; L215-F227 HydrophobicContact CD1-CB 4.29Å; L215-F227 HydrophobicContact CD1-CD2 3.68Å; L215-F227 HydrophobicContact CD1-CE2 4.15Å; L215-F227 HydrophobicContact CD1-CG 4.04Å; L215-F227 HydrophobicContact CG-CD2 4.47Å
216A89.4Confident88Confident72 Ų7258.5 Ų58.560%0.59534%0.341SS*.Hα-helixtrans-69.2-35.8177.100000112.5F212 G213F212-A216 WeakPolarHBondContact O-CB 3.46Å; F212-A216 PolarHBondContact O-N 3.41Å; G213-A216 PolarHBondContact O-N 3.23Å
217V90.4Very high88.5Confident97 Ų9761 Ų6159%0.58835%0.352SS*.Hα-helixtrans-85.2-50-178.1178.80000111.5G213 E214G213-V217 VanDerWaalsContact O-CG2 3.32Å; G213-V217 WeakPolarHBondContact O-CG2 3.19Å; G213-V217 PolarHBondContact O-N 2.59Å; E214-V217 PolarHBondContact O-N 2.61Å
218H90.5Very high88.9Confident66 Ų6661.6 Ų61.631%0.30635%0.354SS..Hα-helixtrans-104.8-17.3-170.1-56.4122.4000113.3F178 E214 A220 E221 H222F178-H218 HydrophobicContact CE2-CB 3.69Å; F178-H218 HydrophobicContact CZ-CB 3.9Å; E214-H218 WeakPolarHBondContact O-CB 3.45Å; E214-H218 PolarHBondContact O-N 2.8Å; E214-H218 IonicContact OE2-CE1 3.7Å; E214-H218 PolarHBondContact OE2-CE1 3.41Å; E214-H218 VanDerWaalsContact OE2-CE1 3.26Å; E214-H218 IonicContact OE2-ND1 3.72Å; E214-H218 PolarHBondContact OE2-ND1 3.02Å; H218-A220 VanDerWaalsContact C-N 3.34Å; H218-A220 PolarHBondContact O-N 2.92Å; H218-E221 WeakPolarHBondContact O-CB 3.26Å; H218-E221 PolarHBondContact O-N 3.03Å; H218-E221 VanDerWaalsContact O-N 3.11Å; H218-H222 PolarHBondContact O-CD2 2.93Å; H218-H222 PolarHBondContact O-N 3.11Å
219G85.8Confident89Confident0 Ų059 Ų590%034%0.342CS..THydrogen-bonded Turntrans-58.5-40.2-172.300000114.2L215 E221 H222 G223 V224L215-G219 WeakPolarHBondContact O-CA 3.39Å; L215-G219 PolarHBondContact O-N 3.07Å; G219-E221 VanDerWaalsContact C-N 3.34Å; G219-E221 PolarHBondContact O-N 2.86Å; G219-H222 CarbonylContact O-C 3.55Å; G219-H222 PolarHBondContact O-N 3.12Å; G219-G223 PolarHBondContact O-N 3.04Å; G219-V224 VanDerWaalsContact O-CB 3.27Å; G219-V224 WeakPolarHBondContact O-CB 3.13Å; G219-V224 WeakPolarHBondContact O-CG2 3.35Å; G219-V224 PolarHBondContact O-N 3.33Å
220A87.7Confident88.9Confident78 Ų7857.7 Ų57.765%0.64533%0.327SS*.THydrogen-bonded Turntrans-64.1-37.217900000112.5H218 H222 G223H218-A220 VanDerWaalsContact C-N 3.34Å; H218-A220 PolarHBondContact O-N 2.92Å; A220-H222 PolarHBondContact O-N 2.83Å; A220-G223 PolarHBondContact O-N 2.8Å; A220-G223 VanDerWaalsContact O-N 3.11Å
221E89.1Confident88.4Confident142 Ų14257.3 Ų57.366%0.66433%0.329SS*.THydrogen-bonded Turntrans-65-29.6177.5-57.7-174161.500111.6H218 G219H218-E221 WeakPolarHBondContact O-CB 3.26Å; H218-E221 PolarHBondContact O-N 3.03Å; H218-E221 VanDerWaalsContact O-N 3.11Å; G219-E221 VanDerWaalsContact C-N 3.34Å; G219-E221 PolarHBondContact O-N 2.86Å
222H86.1Confident87.5Confident60 Ų6057.5 Ų57.528%0.27833%0.33SS..THydrogen-bonded Turntrans-91.24.4177.3-63.6-67.2000113.9F178 H218 G219 A220F178-H222 HydrophobicContact CB-CB 4.07Å; F178-H222 HydrophobicContact CD1-CB 4.44Å; F178-H222 AromaticContact CD2-CD2 3.13Å; F178-H222 WeakPolarHBondContact CD2-CD2 3.39Å; F178-H222 AromaticContact CD2-CE1 3.98Å; F178-H222 AromaticContact CD2-CG 3.82Å; F178-H222 AromaticContact CD2-NE2 3.26Å; F178-H222 VanDerWaalsContact CD2-NE2 3.26Å; F178-H222 WeakPolarHBondContact CD2-NE2 3.27Å; F178-H222 AromaticContact CE2-CD2 3.57Å; F178-H222 AromaticContact CE2-NE2 3.79Å; F178-H222 HydrophobicContact CG-CB 4.15Å; F178-H222 AromaticContact CG-CD2 3.47Å; F178-H222 VanDerWaalsContact CG-CD2 3.47Å; F178-H222 WeakPolarHBondContact CG-CD2 3.47Å; F178-H222 AromaticContact CG-CG 3.7Å; F178-H222 AromaticContact CG-NE2 3.96Å; H218-H222 PolarHBondContact O-CD2 2.93Å; H218-H222 PolarHBondContact O-N 3.11Å; G219-H222 CarbonylContact O-C 3.55Å; G219-H222 PolarHBondContact O-N 3.12Å; A220-H222 PolarHBondContact O-N 2.83Å
223G84.9Confident86.2Confident16 Ų1656.6 Ų56.617%0.16533%0.328CS..THydrogen-bonded Turntrans82.921.817500000114.8P168 G219 A220P168-G223 WeakPolarHBondContact CD-O 3.47Å; G219-G223 PolarHBondContact O-N 3.04Å; A220-G223 PolarHBondContact O-N 2.8Å; A220-G223 VanDerWaalsContact O-N 3.11Å
224V90.2Very high84.8Confident15 Ų1555.5 Ų55.59%0.09131%0.314CS..  trans-75.8118.1169.6-176.90000109.1L165 V167 A175 G219 D226 F227L165-V224 HydrophobicContact CD1-CG2 4.14Å; L165-V224 HydrophobicContact CD2-CG1 4.06Å; L165-V224 HydrophobicContact CD2-CG2 4.48Å; V167-V224 HydrophobicContact CG1-CG2 4.14Å; A175-V224 HydrophobicContact CB-CG2 4.48Å; G219-V224 VanDerWaalsContact O-CB 3.27Å; G219-V224 WeakPolarHBondContact O-CB 3.13Å; G219-V224 WeakPolarHBondContact O-CG2 3.35Å; G219-V224 PolarHBondContact O-N 3.33Å; V224-D226 WeakPolarHBondContact CG1-O 3.4Å; V224-F227 HydrophobicContact CG1-CB 4.19Å; V224-F227 HydrophobicContact CG1-CD1 4.5Å
225E90.8Very high83.3Confident117 Ų11757.1 Ų57.155%0.54732%0.322SS..SBendtrans-82-40.4173.9-69.2176.4174.100111.3R166 P168R166-E225 HydrophobicContact CG-CB 4.41Å; R166-E225 IonicContact CZ-OE2 3.99Å; R166-E225 IonicContact NE-OE2 3.04Å; R166-E225 PolarHBondContact NE-OE2 2.92Å; R166-E225 PolarHBondContact O-N 3.34Å; P168-E225 HydrophobicContact CG-CG 4.44Å; P168-E225 WeakPolarHBondContact CG-OE1 3.49Å
226D90.4Very high81.5Confident100 Ų10060.6 Ų60.654%0.53534%0.338SS..EExtended strand (participates in β ladder)trans-154.4153.8-177.1-171.121.4000109.9R166 V224R166-D226 HydrophobicContact CB-CB 4.06Å; R166-D226 PolarHBondContact N-O 3.29Å; V224-D226 WeakPolarHBondContact CG1-O 3.4Å
227F91.6Very high79.7Confident53 Ų5359.6 Ų59.623%0.23232%0.323CS..EExtended strand (participates in β ladder)trans-145.1145.1178.168.3-85.8000112.1T164 L165 F212 L215 V224T164-F227 CarbonylContact O-C 3.59Å; T164-F227 VanDerWaalsContact O-CA 3.29Å; T164-F227 WeakPolarHBondContact O-CA 3.44Å; L165-F227 HydrophobicContact CD2-CB 3.51Å; F212-F227 HydrophobicContact CD1-CD2 4.49Å; F212-F227 AromaticContact CD1-CE2 3.42Å; F212-F227 HydrophobicContact CD1-CE2 3.42Å; F212-F227 VanDerWaalsContact CD1-CE2 3.42Å; F212-F227 AromaticContact CD1-CZ 3.99Å; F212-F227 HydrophobicContact CD1-CZ 3.99Å; F212-F227 HydrophobicContact CE1-CD2 4.37Å; F212-F227 AromaticContact CE1-CE2 3.61Å; F212-F227 HydrophobicContact CE1-CE2 3.61Å; F212-F227 HydrophobicContact CE1-CZ 4.39Å; F212-F227 HydrophobicContact CG-CE2 4.22Å; L215-F227 HydrophobicContact CB-CD1 4.14Å; L215-F227 HydrophobicContact CB-CD2 4.07Å; L215-F227 HydrophobicContact CB-CE1 4.04Å; L215-F227 HydrophobicContact CB-CE2 3.94Å; L215-F227 HydrophobicContact CB-CG 4.16Å; L215-F227 HydrophobicContact CB-CZ 3.93Å; L215-F227 HydrophobicContact CD1-CB 4.29Å; L215-F227 HydrophobicContact CD1-CD2 3.68Å; L215-F227 HydrophobicContact CD1-CE2 4.15Å; L215-F227 HydrophobicContact CD1-CG 4.04Å; L215-F227 HydrophobicContact CG-CD2 4.47Å; V224-F227 HydrophobicContact CG1-CB 4.19Å; V224-F227 HydrophobicContact CG1-CD1 4.5Å
228S90.8Very high77.7Confident53 Ų5358.3 Ų58.337%0.37131%0.31SS..EExtended strand (participates in β ladder)trans-132.1143.1170.869.30000110.7T164T164-S228 WeakPolarHBondContact CB-OG 3.32Å; T164-S228 PolarHBondContact N-O 3.32Å; T164-S228 PolarHBondContact O-N 2.81Å
229V88.2Confident75.5Confident26 Ų2656.5 Ų56.516%0.15831%0.309CS..EExtended strand (participates in β ladder)trans-120.2120.4174.5-174.20000107.3H161 T162 L163 L208 V211 F212H161-V229 HydrophobicContact CB-CG1 3.91Å; T162-V229 WeakPolarHBondContact O-CA 3.47Å; L163-V229 HydrophobicContact CD1-CG2 3.78Å; L208-V229 HydrophobicContact CD1-CG1 4.2Å; V211-V229 HydrophobicContact CG1-CG2 3.8Å; F212-V229 HydrophobicContact CD2-CG2 4.23Å; F212-V229 HydrophobicContact CE2-CB 3.68Å; F212-V229 HydrophobicContact CE2-CG1 4.43Å; F212-V229 HydrophobicContact CE2-CG2 3.72Å; F212-V229 HydrophobicContact CZ-CB 3.96Å; F212-V229 HydrophobicContact CZ-CG2 3.95Å
230S82.6Confident73.5Confident56 Ų5659.8 Ų59.839%0.39232%0.324SS..EExtended strand (participates in β ladder)trans-117.2152.5172.256.50000110H161 T162H161-S230 CarbonylContact C-O 3.56Å; H161-S230 WeakPolarHBondContact CA-O 3.15Å; T162-S230 PolarHBondContact N-O 3.41Å; T162-S230 PolarHBondContact O-N 3.27Å
231Q76.4Confident71.3Confident89 Ų8961.5 Ų61.542%0.41632%0.322SS..EExtended strand (participates in β ladder)trans-73.1136.1168.5-166.8168.412.900108.4M233Q231-M233 PolarHBondContact O-N 3.26Å
232T70.8Confident68.9Low3 Ų361.1 Ų61.12%0.01832%0.32CS..PPolyproline II helixtrans-63.7127.9177-52.50000108.9G160 T162 Q199 E236G160-T232 PolarHBondContact O-N 2.72Å; T162-T232 PolarHBondContact OG1-OG1 2.85Å; T162-T232 VanDerWaalsContact OG1-OG1 3.07Å; Q199-T232 PolarHBondContact NE2-OG1 3.45Å; Q199-T232 PolarHBondContact OE1-OG1 3.07Å; T232-E236 HydrophobicContact CG2-CB 4.01Å
233M63.8Low66.5Low65 Ų6563.1 Ų63.132%0.3233%0.333SS..PPolyproline II helixtrans-72.7148.1179.5-59.8-91.3-101.700108.6Q231 E235 E236Q231-M233 PolarHBondContact O-N 3.26Å; M233-E235 HydrophobicContact CB-CB 4.43Å; M233-E235 PolarHBondContact O-N 3.37Å; M233-E236 HydrophobicContact CB-CG 4.42Å; M233-E236 PolarHBondContact O-N 2.94Å; M233-E236 VanDerWaalsContact O-N 3.08Å
234L60.5Low64.2Low10 Ų1066.2 Ų66.25%0.05235%0.348CS..Hα-helixtrans-56.9-29.7173.1-76.6155.8000111.9M126 I138 L153 F157 E236 D237 Q238M126-L234 HydrophobicContact CE-CB 3.63Å; M126-L234 HydrophobicContact CE-CD1 4.03Å; M126-L234 HydrophobicContact CE-CG 4.48Å; M126-L234 HydrophobicContact SD-CB 4.41Å; M126-L234 HydrophobicContact SD-CD1 4.01Å; I138-L234 HydrophobicContact CD1-CD1 4.3Å; I138-L234 HydrophobicContact CD1-CD2 4.25Å; L153-L234 HydrophobicContact CB-CD1 4.1Å; F157-L234 HydrophobicContact CB-CD2 3.75Å; L234-E236 VanDerWaalsContact C-N 3.31Å; L234-E236 PolarHBondContact O-N 2.94Å; L234-D237 PolarHBondContact O-N 3.01Å; L234-Q238 WeakPolarHBondContact O-CG 3.46Å; L234-Q238 PolarHBondContact O-N 2.79Å
235E59Low61.8Low78 Ų7870.1 Ų70.136%0.36437%0.366SS..Hα-helixtrans-59.8-35.8175.5-66.4176.4172.800113M126 M233 D237 Q238 G239M126-E235 HydrophobicContact CB-CG 3.79Å; M126-E235 WeakPolarHBondContact CB-OE1 3.38Å; M126-E235 HydrophobicContact CE-CG 4.43Å; M126-E235 PolarHBondContact N-OE1 2.85Å; M233-E235 HydrophobicContact CB-CB 4.43Å; M233-E235 PolarHBondContact O-N 3.37Å; E235-D237 PolarHBondContact O-N 3.42Å; E235-Q238 PolarHBondContact O-N 2.77Å; E235-G239 PolarHBondContact O-N 2.83Å
236E53.1Low59.1Low77 Ų7771.3 Ų71.336%0.3637%0.371SS..Hα-helixtrans-75.2-24.5-175.1-64.2-168.8150.200113.3R197 T232 M233 L234R197-E236 IonicContact CZ-OE1 3.32Å; R197-E236 IonicContact NH1-OE1 3.8Å; R197-E236 VanDerWaalsContact NH2-CD 3.28Å; R197-E236 IonicContact NH2-OE1 3.21Å; R197-E236 PolarHBondContact NH2-OE1 3.4Å; R197-E236 IonicContact NH2-OE2 3.9Å; R197-E236 PolarHBondContact NH2-OE2 3.19Å; T232-E236 HydrophobicContact CG2-CB 4.01Å; M233-E236 HydrophobicContact CB-CG 4.42Å; M233-E236 PolarHBondContact O-N 2.94Å; M233-E236 VanDerWaalsContact O-N 3.08Å; L234-E236 VanDerWaalsContact C-N 3.31Å; L234-E236 PolarHBondContact O-N 2.94Å
237D51.7Low56.4Low51 Ų5174.3 Ų74.327%0.27338%0.382SS..Hα-helixtrans-88-28.7174.9-120.713.8000111.6L234 E235 G239 K240 D241L234-D237 PolarHBondContact O-N 3.01Å; E235-D237 PolarHBondContact O-N 3.42Å; D237-G239 PolarHBondContact O-N 3.42Å; D237-K240 PolarHBondContact O-N 3Å; D237-K240 IonicContact OD1-NZ 2.61Å; D237-K240 PolarHBondContact OD1-NZ 3.05Å; D237-D241 PolarHBondContact O-N 3.41Å
238Q47Very low53.6Low69 Ų6979.4 Ų79.432%0.32240%0.404SS..Hα-helixtrans-62.4-41.1173.9-76.6-178.6-19.700112.5L234 E235 K240 D241 E242L234-Q238 WeakPolarHBondContact O-CG 3.46Å; L234-Q238 PolarHBondContact O-N 2.79Å; E235-Q238 PolarHBondContact O-N 2.77Å; Q238-K240 PolarHBondContact O-N 2.79Å; Q238-D241 PolarHBondContact O-N 3.13Å; Q238-D241 VanDerWaalsContact O-N 3.12Å; Q238-E242 PolarHBondContact O-N 3.24Å; Q238-E242 VanDerWaalsContact O-N 3.09Å
239G44.4Very low51Low28 Ų2884.7 Ų84.729%0.28942%0.423SS..Hα-helixtrans-59.9-27.4177.300000113.7E235 D237 D243E235-G239 PolarHBondContact O-N 2.83Å; D237-G239 PolarHBondContact O-N 3.42Å; G239-D243 WeakPolarHBondContact O-CB 3.47Å; G239-D243 VanDerWaalsContact O-CG 3.31Å; G239-D243 PolarHBondContact O-N 3.33Å
240K43.6Very low48.4Very low70 Ų7087.9 Ų87.930%0.30445%0.452SS..Hα-helixtrans-75.2-38175.1-71.9-179.7-169.4153.70113.1D237 Q238 E242 T244D237-K240 PolarHBondContact O-N 3Å; D237-K240 IonicContact OD1-NZ 2.61Å; D237-K240 PolarHBondContact OD1-NZ 3.05Å; Q238-K240 PolarHBondContact O-N 2.79Å; K240-E242 VanDerWaalsContact C-N 3.29Å; K240-T244 VanDerWaalsContact O-CB 3.3Å; K240-T244 WeakPolarHBondContact O-CB 3.38Å; K240-T244 PolarHBondContact O-N 2.85Å; K240-T244 PolarHBondContact O-OG1 2.97Å
241D42.1Very low46Very low114 Ų11488 Ų8861%0.6146%0.462SS*.Hα-helixtrans-67.2-36.8176.7-80.6-18.6000110.1D237 Q238 T244 E245D237-D241 PolarHBondContact O-N 3.41Å; Q238-D241 PolarHBondContact O-N 3.13Å; Q238-D241 VanDerWaalsContact O-N 3.12Å; D241-T244 PolarHBondContact O-N 3.23Å; D241-E245 WeakPolarHBondContact O-CB 3.17Å; D241-E245 WeakPolarHBondContact O-CG 3.41Å; D241-E245 PolarHBondContact O-N 3.43Å
242E38.5Very low43.9Very low133 Ų13390.1 Ų90.162%0.62148%0.481SS*.Hα-helixtrans-64.6-48.5172.9-68.8-177.4168.700112.1Q238 K240 T244 E245 E246Q238-E242 PolarHBondContact O-N 3.24Å; Q238-E242 VanDerWaalsContact O-N 3.09Å; K240-E242 VanDerWaalsContact C-N 3.29Å; E242-T244 VanDerWaalsContact C-N 3.26Å; E242-T244 PolarHBondContact O-N 3.17Å; E242-E245 PolarHBondContact O-N 2.96Å; E242-E246 PolarHBondContact O-N 3.37Å
243D35.4Very low41.9Very low103 Ų10393 Ų9355%0.55151%0.512SS*.Hα-helixtrans-62.9-30.7177.1-78.5-21.5000113.1G239G239-D243 WeakPolarHBondContact O-CB 3.47Å; G239-D243 VanDerWaalsContact O-CG 3.31Å; G239-D243 PolarHBondContact O-N 3.33Å
244T36.4Very low40.7Very low80 Ų8096.7 Ų96.749%0.49154%0.538SS..Hα-helixtrans-80.2-26.3179.1-50.80000111.9K240 D241 E242K240-T244 VanDerWaalsContact O-CB 3.3Å; K240-T244 WeakPolarHBondContact O-CB 3.38Å; K240-T244 PolarHBondContact O-N 2.85Å; K240-T244 PolarHBondContact O-OG1 2.97Å; D241-T244 PolarHBondContact O-N 3.23Å; E242-T244 VanDerWaalsContact C-N 3.26Å; E242-T244 PolarHBondContact O-N 3.17Å
245E40.9Very low39.2Very low97 Ų97103.8 Ų103.845%0.45358%0.575SS.*Hα-helixtrans-83.2-35.8175.6-74.1-172169.600112.4D241 E242 Q247 K248 E249D241-E245 WeakPolarHBondContact O-CB 3.17Å; D241-E245 WeakPolarHBondContact O-CG 3.41Å; D241-E245 PolarHBondContact O-N 3.43Å; E242-E245 PolarHBondContact O-N 2.96Å; E245-Q247 PolarHBondContact O-N 3.11Å; E245-K248 WeakPolarHBondContact O-CA 3.36Å; E245-K248 PolarHBondContact O-N 2.82Å; E245-E249 PolarHBondContact O-N 3.38Å
246E35Very low38Very low142 Ų142105.6 Ų105.666%0.66459%0.594SS**Hα-helixtrans-59.1-33.1173.5-78.8-165.216300112.4E242 K248E242-E246 PolarHBondContact O-N 3.37Å; E246-K248 VanDerWaalsContact C-N 3.31Å; E246-K248 PolarHBondContact O-N 2.96Å
247Q33Very low36.8Very low164 Ų164106.5 Ų106.577%0.76662%0.615SS**Hα-helixtrans-73.6-18.9174.6-69.1-17819.700113.7E245E245-Q247 PolarHBondContact O-N 3.11Å
248K32.9Very low36Very low159 Ų159110.3 Ų110.369%0.69164%0.642SS**Hα-helixtrans-89.7-30.8174.9-82.7177.3177.8169.30112.9E245 E246 A250E245-K248 WeakPolarHBondContact O-CA 3.36Å; E245-K248 PolarHBondContact O-N 2.82Å; E246-K248 VanDerWaalsContact C-N 3.31Å; E246-K248 PolarHBondContact O-N 2.96Å; K248-A250 VanDerWaalsContact C-N 3.33Å
249E35.9Very low35.1Very low164 Ų164110.1 Ų110.177%0.76666%0.658SS**Hα-helixtrans-76.2-17.8178.6-73.1-163.3155.300113.9E245 G251E245-E249 PolarHBondContact O-N 3.38Å; E249-G251 PolarHBondContact O-N 3.38Å
250A32.8Very low34.4Very low94 Ų94117.6 Ų117.678%0.77769%0.691SS**THydrogen-bonded Turntrans-67.51.4172.800000114.5K248K248-A250 VanDerWaalsContact C-N 3.33Å
251G33.8Very low34Very low58 Ų58123 Ų12360%0.59872%0.717SS**THydrogen-bonded Turntrans-135.626-167.500000117.2E249E249-G251 PolarHBondContact O-N 3.38Å
252V31.7Very low33.4Very low133 Ų133126 Ų12681%0.80673%0.727SS**  trans-146121.5165.3-172.70000110.9
253G29Very low33.1Very low65 Ų65125.4 Ų125.467%0.6774%0.735SS**  trans-77149.6179.900000114.5
254V37.8Very low33.2Very low142 Ų142129 Ų12986%0.86175%0.746SS**  trans33.3114.6152.4-1660000117.7
255D30.1Very low33.2Very low158 Ų158135.7 Ų135.785%0.84576%0.762SS**  trans-147.8163.3155.4-111.4-10000111.5
256P32.8Very low33.4Very low117 Ų117135.8 Ų135.876%0.7677%0.769SS**  trans-100.5176.5-145.228.1-11.6000114.5
257A28.5Very low33.4Very low96 Ų96132.1 Ų132.179%0.79376%0.759SS**  trans-45.1148.3-166.200000117.9
258P34.6Very low33.8Very low131 Ų131131.2 Ų131.285%0.85176%0.755SS**  trans-84.5128.1-171.933.3-33.4000112.9
259G28.3Very low34.1Very low64 Ų64125.4 Ų125.466%0.6673%0.73SS**  trans-85.9144.7162.700000111.7Q261G259-Q261 PolarHBondContact O-N 3.06Å; G259-Q261 VanDerWaalsContact O-N 3.16Å
260L30.2Very low34.6Very low185 Ų185123.5 Ų123.597%0.96972%0.724SS**  trans-57.6113.9176.4-87.786000111.3
261Q33.6Very low35Very low184 Ų184125.1 Ų125.186%0.8672%0.72SS**PPolyproline II helixtrans-98.9125.5166.4-73-173.91.300110.2G259G259-Q261 PolarHBondContact O-N 3.06Å; G259-Q261 VanDerWaalsContact O-N 3.16Å
262H29.7Very low35.7Very low176 Ų176125.7 Ų125.782%0.81571%0.709SS**PPolyproline II helixtrans-64.8138.8171.7-81.8-48.5000111.3K264H262-K264 PolarHBondContact O-N 3.39Å
263P32.8Very low36.4Very low122 Ų122124.8 Ų124.879%0.79271%0.706SS**PPolyproline II helixtrans-64.6122178.524.2-30.8000110.5
264K36.6Very low37.2Very low178 Ų178124.8 Ų124.877%0.77470%0.695SS**PPolyproline II helixtrans-65.9138.5174.5-68.8-177.5-179.7179.60109.4H262 V266H262-K264 PolarHBondContact O-N 3.39Å; K264-V266 PolarHBondContact O-N 2.8Å
265R37Very low37.5Very low220 Ų220119.5 Ų119.583%0.8366%0.664SS**PPolyproline II helixtrans-56.9131.7-177.6-75.7179.1165.3-173.9-3111.4S267R265-S267 PolarHBondContact O-N 2.89Å
266V44.5Very low37.9Very low99 Ų99114.4 Ų114.460%0.664%0.644SS**THydrogen-bonded Turntrans-58.1-14178.1-179.80000113.6F144 K264 Q268 F269F144-V266 HydrophobicContact CE2-CG1 4.38Å; K264-V266 PolarHBondContact O-N 2.8Å; V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 2.99Å; V266-F269 PolarHBondContact O-N 3.02Å
267S36.8Very low38.2Very low65 Ų65114.4 Ų114.446%0.45563%0.634SS.*Hα-helixtrans-61.4-34.4-174.756.50000114.2R265 F269 L270R265-S267 PolarHBondContact O-N 2.89Å; S267-F269 PolarHBondContact O-N 2.94Å; S267-L270 PolarHBondContact O-N 3.28Å
268Q39.7Very low38.2Very low145 Ų145115.2 Ų115.268%0.67863%0.629SS**Hα-helixtrans-66.9-19.6-178.2-76.3-176.3-21.900113.9V266 D271V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 2.99Å; Q268-D271 PolarHBondContact O-N 2.9Å
269F40.8Very low37.8Very low37 Ų37114.3 Ų114.316%0.16262%0.621CS.*Hα-helixtrans-74.8-27.8178.7179.1-99.7000113F144 L147 V266 S267 D271 T275F144-F269 HydrophobicContact CB-CD1 4.05Å; F144-F269 HydrophobicContact CB-CD2 3.59Å; F144-F269 HydrophobicContact CB-CE1 3.8Å; F144-F269 HydrophobicContact CB-CE2 3.3Å; F144-F269 HydrophobicContact CB-CG 3.96Å; F144-F269 HydrophobicContact CB-CZ 3.42Å; F144-F269 VanDerWaalsContact CB-CZ 3.42Å; F144-F269 HydrophobicContact CD2-CD1 4.4Å; F144-F269 HydrophobicContact CD2-CG 4.48Å; F144-F269 HydrophobicContact CG-CD1 4.46Å; F144-F269 HydrophobicContact CG-CE1 4.34Å; F144-F269 HydrophobicContact CG-CZ 4.39Å; F144-F269 WeakPolarHBondContact O-CE2 3.47Å; L147-F269 HydrophobicContact CB-CE1 3.69Å; L147-F269 HydrophobicContact CB-CZ 3.93Å; L147-F269 HydrophobicContact CD2-CE1 4.06Å; L147-F269 HydrophobicContact CG-CE1 4.48Å; V266-F269 PolarHBondContact O-N 3.02Å; S267-F269 PolarHBondContact O-N 2.94Å; F269-D271 VanDerWaalsContact C-N 3.27Å; F269-T275 HydrophobicContact CD2-CG2 4.33Å; F269-T275 HydrophobicContact CE2-CG2 3.67Å; F269-T275 HydrophobicContact CZ-CG2 3.96Å; F269-T275 PolarHBondContact O-OG1 3.07Å
270L45.1Very low37.7Very low124 Ų124122.2 Ų122.265%0.64965%0.647SS**Hα-helixtrans-77.8-15.8176.4-66.3173.1000112.5L147 S267L147-L270 HydrophobicContact CD2-CD2 4.36Å; S267-L270 PolarHBondContact O-N 3.28Å
271D42.6Very low38.1Very low128 Ų128119.1 Ų119.168%0.68463%0.63SS**THydrogen-bonded Turntrans-100.2-1.2-175.3-62.2-37.6000113.1Q268 F269 P273Q268-D271 PolarHBondContact O-N 2.9Å; F269-D271 VanDerWaalsContact C-N 3.27Å; D271-P273 WeakPolarHBondContact O-CD 3.04Å
272D47Very low38.3Very low71 Ų71115.7 Ų115.738%0.3862%0.618SS.*  trans-81.2118180-169.5-30000110.6S274 T275 A276D272-S274 PolarHBondContact O-N 3.49Å; D272-S274 VanDerWaalsContact O-N 3.13Å; D272-S274 VanDerWaalsContact OD1-CB 3.3Å; D272-S274 WeakPolarHBondContact OD1-CB 3.43Å; D272-S274 PolarHBondContact OD1-N 3.04Å; D272-S274 PolarHBondContact OD1-OG 3.33Å; D272-S274 PolarHBondContact OD2-OG 2.84Å; D272-T275 HydrophobicContact CB-CG2 4.35Å; D272-T275 CarbonylContact O-C 3.55Å; D272-T275 PolarHBondContact O-N 3.18Å; D272-T275 PolarHBondContact O-OG1 3.11Å; D272-A276 PolarHBondContact O-N 2.81Å; D272-A276 VanDerWaalsContact O-N 3.1Å
273P47.8Very low38.8Very low114 Ų114112.3 Ų112.374%0.7461%0.607SS**THydrogen-bonded Turntrans-65.9-15-179.826-33.4000113.6D271 T275D271-P273 WeakPolarHBondContact O-CD 3.04Å; P273-T275 VanDerWaalsContact C-N 3.3Å
274S45.3Very low39.1Very low64 Ų64111.8 Ų111.845%0.44860%0.597SS.*THydrogen-bonded Turntrans-75-20.8171.672.40000113.1R156 D272R156-S274 PolarHBondContact NH2-O 3.45Å; D272-S274 PolarHBondContact O-N 3.49Å; D272-S274 VanDerWaalsContact O-N 3.13Å; D272-S274 VanDerWaalsContact OD1-CB 3.3Å; D272-S274 WeakPolarHBondContact OD1-CB 3.43Å; D272-S274 PolarHBondContact OD1-N 3.04Å; D272-S274 PolarHBondContact OD1-OG 3.33Å; D272-S274 PolarHBondContact OD2-OG 2.84Å
275T44.5Very low39.3Very low31 Ų31107.6 Ų107.619%0.1959%0.586CS.*THydrogen-bonded Turntrans-103.4-4.1174.8630000112.9F269 D272 P273F269-T275 HydrophobicContact CD2-CG2 4.33Å; F269-T275 HydrophobicContact CE2-CG2 3.67Å; F269-T275 HydrophobicContact CZ-CG2 3.96Å; F269-T275 PolarHBondContact O-OG1 3.07Å; D272-T275 HydrophobicContact CB-CG2 4.35Å; D272-T275 CarbonylContact O-C 3.55Å; D272-T275 PolarHBondContact O-N 3.18Å; D272-T275 PolarHBondContact O-OG1 3.11Å; P273-T275 VanDerWaalsContact C-N 3.3Å
276A37.6Very low39.5Very low52 Ų52100.1 Ų100.143%0.4357%0.569SS.*  trans-63.1133.6177.300000111.9D272 T278D272-A276 PolarHBondContact O-N 2.81Å; D272-A276 VanDerWaalsContact O-N 3.1Å; A276-T278 PolarHBondContact O-N 3.39Å
277E38.5Very low39.1Very low117 Ų117100.2 Ų100.255%0.54757%0.567SS.*  trans-57.8120.3174.6-67.9173.9175.300110.1R135 V279R135-E277 IonicContact CZ-OE1 2.76Å; R135-E277 IonicContact NH1-OE1 3.33Å; R135-E277 IonicContact NH2-OE1 3.9Å; R135-E277 PolarHBondContact NH2-OE1 3.27Å; E277-V279 HydrophobicContact CB-CG2 4.08Å; E277-V279 PolarHBondContact O-N 2.75Å
278T29.2Very low39.3Very low113 Ų113102.9 Ų102.969%0.69358%0.576SS**  trans-72.792.3155.1-45.10000106.5A276 L280A276-T278 PolarHBondContact O-N 3.39Å; T278-L280 PolarHBondContact O-N 3.32Å
279V26.5Very low39.2Very low112 Ų11299.4 Ų99.468%0.67957%0.567SS**  trans-67.6119.2170-178.40000107.7E277E277-V279 HydrophobicContact CB-CG2 4.08Å; E277-V279 PolarHBondContact O-N 2.75Å
280L26.1Very low39.1Very low230 Ų230105.1 Ų105.1100%1.20460%0.604SS**  trans-1110152.3-87.6170.2000107.6T278T278-L280 PolarHBondContact O-N 3.32Å

Retrieved 280 of 280 residues in 584.1 ms (Link to these results)

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