G4VEN8_SCHMA Loading...

Thioredoxin-like protein

Plays a role in pre-mRNA splicing as component of the U5 snRNP and U4/U6-U5 tri-snRNP complexes that are involved in spliceosome assembly, and as component of the precatalytic spliceosome (spliceosome B complex). Plays role in pre-mRNA splicing.

AlphaFold DB , UniProt , Accession G4VEN8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 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
1M35.8Very low77.5Confident215 Ų21579.6 Ų79.6100%1.05942%0.423SS*.  0126.20-70.3170-148.900106.5Y3M1-Y3 PolarHBondContact O-N 3.46Å; M1-Y3 VanDerWaalsContact O-N 3.17Å
2S35.1Very low79.1Confident87 Ų8787.4 Ų87.461%0.60844%0.442SS*.  trans-66.7107.9170.7164.20000106.6M4S2-M4 PolarHBondContact O-N 2.89Å
3Y50Low80.5Confident110 Ų11085.2 Ų85.243%0.43143%0.43SS..  trans-76.280.5169.5-67.7-86.9000107M1 L5 F46 E50M1-Y3 PolarHBondContact O-N 3.46Å; M1-Y3 VanDerWaalsContact O-N 3.17Å; Y3-L5 PolarHBondContact O-N 3.18Å; Y3-L5 VanDerWaalsContact O-N 3.12Å; Y3-F46 WeakPolarHBondContact O-CD2 3.18Å; Y3-F46 WeakPolarHBondContact O-CE2 3.21Å; Y3-E50 WeakPolarHBondContact CE2-OE2 3.46Å; Y3-E50 PolarHBondContact OH-OE2 2.77Å
4M71.5Confident81.7Confident157 Ų15779.1 Ų79.177%0.77340%0.399SS*.PPolyproline II helixtrans-56.1122.9160.6-78-166.3-103.600106.7S2 S6S2-M4 PolarHBondContact O-N 2.89Å; M4-S6 PolarHBondContact O-N 3.35Å
5L87.7Confident82.7Confident20 Ų2079.5 Ų79.511%0.10540%0.402CS..PPolyproline II helixtrans-56.9131.5174.8-63.2174.9000107.2Y3 H7 D42 L45 F46 A49 T58 L60Y3-L5 PolarHBondContact O-N 3.18Å; Y3-L5 VanDerWaalsContact O-N 3.12Å; L5-H7 PolarHBondContact O-N 3.35Å; L5-H7 PolarHBondContact O-ND1 3.17Å; L5-D42 HydrophobicContact CD1-CB 4.43Å; L5-L45 HydrophobicContact CD1-CB 3.65Å; L5-L45 HydrophobicContact CD2-CB 4.45Å; L5-F46 HydrophobicContact CD1-CB 4.33Å; L5-A49 HydrophobicContact CD2-CB 4.38Å; L5-T58 HydrophobicContact CD2-CG2 4.11Å; L5-L60 HydrophobicContact CB-CD1 3.56Å; L5-L60 HydrophobicContact CB-CD2 4.22Å; L5-L60 HydrophobicContact CB-CG 3.72Å; L5-L60 HydrophobicContact CD1-CD1 4.09Å; L5-L60 HydrophobicContact CD1-CD2 4Å; L5-L60 HydrophobicContact CD1-CG 4.34Å; L5-L60 HydrophobicContact CG-CD1 4.47Å
6S93.5Very high83.5Confident66 Ų6679.3 Ų79.346%0.46240%0.399SS..EExtended strand (participates in β ladder)trans-80.4125.2-170.1-64.50000110.4M4 Y59 L60M4-S6 PolarHBondContact O-N 3.35Å; S6-Y59 WeakPolarHBondContact O-CA 3.14Å; S6-L60 PolarHBondContact O-N 2.94Å
7H95.6Very high84.3Confident78 Ų7874.9 Ų74.936%0.36138%0.379SS..EExtended strand (participates in β ladder)trans-81.7132173.1-69.474000111.4L5 D33 L60L5-H7 PolarHBondContact O-N 3.35Å; L5-H7 PolarHBondContact O-ND1 3.17Å; H7-D33 IonicContact CD2-OD2 3.54Å; H7-D33 IonicContact CE1-OD2 3Å; H7-D33 IonicContact NE2-OD1 3.88Å; H7-D33 PolarHBondContact NE2-OD1 3.09Å; H7-D33 IonicContact NE2-OD2 3.9Å; H7-D33 PolarHBondContact NE2-OD2 2.63Å; H7-L60 CarbonylContact C-O 3.54Å; H7-L60 VanDerWaalsContact CA-O 3.3Å; H7-L60 WeakPolarHBondContact CA-O 3.43Å
8L96.7Very high85Confident15 Ų1571.1 Ų71.18%0.07936%0.359CS..PPolyproline II helixtrans-99.4122.8168.6-50.6175.1000107.7Q13 V14 A17 Y59 L60 V61L8-Q13 HydrophobicContact CB-CB 4.01Å; L8-Q13 HydrophobicContact CD2-CB 4.1Å; L8-V14 HydrophobicContact CB-CG2 3.95Å; L8-V14 HydrophobicContact CD1-CB 4.49Å; L8-V14 HydrophobicContact CD1-CG2 4.11Å; L8-A17 HydrophobicContact CD1-CB 3.71Å; L8-Y59 HydrophobicContact CD1-CD1 3.98Å; L8-Y59 HydrophobicContact CD1-CD2 4.25Å; L8-Y59 HydrophobicContact CD1-CG 3.7Å; L8-Y59 HydrophobicContact CD2-CD1 3.62Å; L8-Y59 HydrophobicContact CD2-CE1 3.98Å; L8-Y59 HydrophobicContact CD2-CG 4.23Å; L8-Y59 HydrophobicContact CG-CD1 3.83Å; L8-Y59 HydrophobicContact CG-CG 4Å; L8-L60 PolarHBondContact N-O 2.67Å; L8-V61 HydrophobicContact CB-CG2 4.09Å; L8-V61 HydrophobicContact CD1-CG2 4.45Å
9T95.2Very high85.5Confident58 Ų5872.4 Ų72.436%0.35637%0.367SS..  trans-107.90-162.756.80000113.7Q13 V66T9-Q13 PolarHBondContact OG1-OE1 3.07Å; T9-V66 WeakPolarHBondContact O-CG2 3.17Å
10N96.5Very high85.9Confident61 Ų6172.2 Ų72.233%0.32637%0.372SS..SBendtrans-156.5164.4174.757.669.5000111.1W12 Q13 V14N10-W12 VanDerWaalsContact C-N 3.32Å; N10-W12 PolarHBondContact O-N 2.98Å; N10-W12 PolarHBondContact OD1-N 2.85Å; N10-Q13 PolarHBondContact O-N 3.48Å; N10-Q13 WeakPolarHBondContact OD1-CG 3.27Å; N10-Q13 PolarHBondContact OD1-N 3.42Å; N10-V14 PolarHBondContact O-N 3.34Å
11G94.8Very high86.2Confident9 Ų970 Ų709%0.09336%0.36CS..Hα-helixtrans-58-41-17700000114Q13 V14 D15G11-Q13 VanDerWaalsContact C-N 3.32Å; G11-Q13 PolarHBondContact O-N 3.11Å; G11-V14 WeakPolarHBondContact O-CB 3.46Å; G11-V14 PolarHBondContact O-N 3.46Å; G11-V14 VanDerWaalsContact O-N 3.11Å; G11-D15 PolarHBondContact O-N 2.85Å
12W96.5Very high88.9Confident173 Ų17366.2 Ų66.266%0.65534%0.34SS*.Hα-helixtrans-60.7-39.3178.217783.1000112.6N10 V14 D15 Q16N10-W12 VanDerWaalsContact C-N 3.32Å; N10-W12 PolarHBondContact O-N 2.98Å; N10-W12 PolarHBondContact OD1-N 2.85Å; W12-V14 VanDerWaalsContact C-N 3.33Å; W12-V14 PolarHBondContact O-N 2.94Å; W12-D15 PolarHBondContact O-N 3.27Å; W12-Q16 HydrophobicContact CH2-CG 4.28Å; W12-Q16 HydrophobicContact CZ2-CB 4.38Å; W12-Q16 HydrophobicContact CZ2-CG 4.17Å; W12-Q16 WeakPolarHBondContact O-CB 3.35Å; W12-Q16 PolarHBondContact O-N 3.07Å
13Q97.4Very high91.6Very high59 Ų5966.9 Ų66.928%0.27634%0.337SS..Hα-helixtrans-64.6-37.3176.2-77.7-179.5-9.400112.3L8 T9 N10 G11 A17L8-Q13 HydrophobicContact CB-CB 4.01Å; L8-Q13 HydrophobicContact CD2-CB 4.1Å; T9-Q13 PolarHBondContact OG1-OE1 3.07Å; N10-Q13 PolarHBondContact O-N 3.48Å; N10-Q13 WeakPolarHBondContact OD1-CG 3.27Å; N10-Q13 PolarHBondContact OD1-N 3.42Å; G11-Q13 VanDerWaalsContact C-N 3.32Å; G11-Q13 PolarHBondContact O-N 3.11Å; Q13-A17 VanDerWaalsContact O-CB 3.27Å; Q13-A17 WeakPolarHBondContact O-CB 3.39Å; Q13-A17 PolarHBondContact O-N 3.46Å
14V97.3Very high93.9Very high0 Ų065 Ų650%033%0.329CS..Hα-helixtrans-65.4-50.8175.4178.30000110.7L8 N10 G11 W12 Q16 A17 I18 I28 V61 V66 F69L8-V14 HydrophobicContact CB-CG2 3.95Å; L8-V14 HydrophobicContact CD1-CB 4.49Å; L8-V14 HydrophobicContact CD1-CG2 4.11Å; N10-V14 PolarHBondContact O-N 3.34Å; G11-V14 WeakPolarHBondContact O-CB 3.46Å; G11-V14 PolarHBondContact O-N 3.46Å; G11-V14 VanDerWaalsContact O-N 3.11Å; W12-V14 VanDerWaalsContact C-N 3.33Å; W12-V14 PolarHBondContact O-N 2.94Å; V14-Q16 VanDerWaalsContact C-N 3.32Å; V14-Q16 PolarHBondContact O-N 3.45Å; V14-A17 PolarHBondContact O-N 3.26Å; V14-I18 HydrophobicContact CG1-CD1 3.95Å; V14-I18 WeakPolarHBondContact O-CG1 3.39Å; V14-I18 PolarHBondContact O-N 3.32Å; V14-I18 VanDerWaalsContact O-N 3.07Å; V14-I28 HydrophobicContact CG1-CD1 4.01Å; V14-V61 HydrophobicContact CG2-CG1 4.44Å; V14-V61 HydrophobicContact CG2-CG2 3.8Å; V14-V66 HydrophobicContact CG2-CG1 4.4Å; V14-F69 HydrophobicContact CB-CD2 4.37Å; V14-F69 HydrophobicContact CB-CE2 3.46Å; V14-F69 VanDerWaalsContact CB-CE2 3.46Å; V14-F69 HydrophobicContact CB-CZ 3.74Å; V14-F69 HydrophobicContact CG1-CD2 4.1Å; V14-F69 HydrophobicContact CG1-CE1 4.33Å; V14-F69 HydrophobicContact CG1-CE2 3.5Å; V14-F69 HydrophobicContact CG1-CZ 3.65Å; V14-F69 HydrophobicContact CG2-CD2 4.46Å; V14-F69 HydrophobicContact CG2-CE2 3.83Å
15D96.3Very high95.1Very high84 Ų8457.6 Ų57.645%0.44929%0.292SS..Hα-helixtrans-59.7-45.3177.7-72.1-31000111.3G11 W12 A17 I18 L19 F69G11-D15 PolarHBondContact O-N 2.85Å; W12-D15 PolarHBondContact O-N 3.27Å; D15-A17 VanDerWaalsContact C-N 3.35Å; D15-A17 PolarHBondContact O-N 3.2Å; D15-I18 PolarHBondContact O-N 3.47Å; D15-L19 WeakPolarHBondContact O-CB 3.3Å; D15-L19 PolarHBondContact O-N 2.83Å; D15-F69 WeakPolarHBondContact OD1-CZ 3.36Å
16Q96.3Very high95.6Very high76 Ų7656.6 Ų56.636%0.35529%0.287SS..Hα-helixtrans-64.9-38.8179.9-17261.120.400111.7W12 V14 L19 S20W12-Q16 HydrophobicContact CH2-CG 4.28Å; W12-Q16 HydrophobicContact CZ2-CB 4.38Å; W12-Q16 HydrophobicContact CZ2-CG 4.17Å; W12-Q16 WeakPolarHBondContact O-CB 3.35Å; W12-Q16 PolarHBondContact O-N 3.07Å; V14-Q16 VanDerWaalsContact C-N 3.32Å; V14-Q16 PolarHBondContact O-N 3.45Å; Q16-L19 PolarHBondContact O-N 2.91Å; Q16-S20 WeakPolarHBondContact O-CB 3.41Å; Q16-S20 PolarHBondContact O-N 3.13Å; Q16-S20 PolarHBondContact O-OG 3.03Å
17A96.3Very high95.9Very high6 Ų653.5 Ų53.55%0.0527%0.265CS..Hα-helixtrans-63.4-41.5175.900000111.9L8 Q13 V14 D15 Y59L8-A17 HydrophobicContact CD1-CB 3.71Å; Q13-A17 VanDerWaalsContact O-CB 3.27Å; Q13-A17 WeakPolarHBondContact O-CB 3.39Å; Q13-A17 PolarHBondContact O-N 3.46Å; V14-A17 PolarHBondContact O-N 3.26Å; D15-A17 VanDerWaalsContact C-N 3.35Å; D15-A17 PolarHBondContact O-N 3.2Å; A17-Y59 HydrophobicContact CB-CD2 4.08Å; A17-Y59 HydrophobicContact CB-CE2 3.78Å
18I96.7Very high96Very high6 Ų649.8 Ų49.83%0.03125%0.248CC..Hα-helixtrans-70.4-38.5178.3-67.8168.3000111.8V14 D15 V26 I28 F84 N87V14-I18 HydrophobicContact CG1-CD1 3.95Å; V14-I18 WeakPolarHBondContact O-CG1 3.39Å; V14-I18 PolarHBondContact O-N 3.32Å; V14-I18 VanDerWaalsContact O-N 3.07Å; D15-I18 PolarHBondContact O-N 3.47Å; I18-V26 HydrophobicContact CG1-CG1 4.47Å; I18-I28 HydrophobicContact CD1-CD1 3.74Å; I18-I28 HydrophobicContact CG1-CD1 3.71Å; I18-F84 HydrophobicContact CD1-CD1 3.95Å; I18-F84 HydrophobicContact CD1-CD2 4.07Å; I18-F84 HydrophobicContact CD1-CE1 3.92Å; I18-F84 HydrophobicContact CD1-CE2 4.05Å; I18-F84 HydrophobicContact CD1-CG 4.04Å; I18-F84 HydrophobicContact CD1-CZ 3.98Å; I18-F84 HydrophobicContact CG1-CB 4.27Å; I18-F84 HydrophobicContact CG1-CD1 4.25Å; I18-F84 HydrophobicContact CG1-CD2 4.07Å; I18-F84 HydrophobicContact CG1-CG 3.94Å; I18-F84 HydrophobicContact CG2-CB 4.02Å; I18-F84 HydrophobicContact CG2-CD1 4Å; I18-F84 HydrophobicContact CG2-CG 4.14Å; I18-N87 PolarHBondContact O-N 2.77Å
19L95.7Very high96Very high95 Ų9549 Ų4950%0.49724%0.244SC..Hα-helixtrans-78-41.8-176.3-178.365.1000112.9D15 Q16 N87D15-L19 WeakPolarHBondContact O-CB 3.3Å; D15-L19 PolarHBondContact O-N 2.83Å; Q16-L19 PolarHBondContact O-N 2.91Å; L19-N87 HydrophobicContact CD1-CB 4Å
20S93.6Very high96.1Very high68 Ų6846.3 Ų46.348%0.47623%0.228SC..Hα-helixtrans-78.3-18.5-171.560.20000114.3Q16 E22Q16-S20 WeakPolarHBondContact O-CB 3.41Å; Q16-S20 PolarHBondContact O-N 3.13Å; Q16-S20 PolarHBondContact O-OG 3.03Å; S20-E22 PolarHBondContact O-N 3.22Å
21E92.5Very high96.1Very high27 Ų2743.4 Ų43.413%0.12621%0.212CC..  trans-89.2106.2-179.4-171.963.5-123.800111.3R24 V26 I57E21-R24 VanDerWaalsContact CD-NE 3.27Å; E21-R24 HydrophobicContact CG-CB 3.84Å; E21-R24 WeakPolarHBondContact CG-O 3.42Å; E21-R24 VanDerWaalsContact OE1-CB 3.3Å; E21-R24 WeakPolarHBondContact OE1-CB 3.46Å; E21-R24 WeakPolarHBondContact OE1-CG 3.47Å; E21-R24 IonicContact OE1-CZ 3.54Å; E21-R24 PolarHBondContact OE1-N 2.87Å; E21-R24 IonicContact OE1-NE 2.67Å; E21-R24 PolarHBondContact OE1-NE 3.06Å; E21-R24 IonicContact OE1-NH2 3.26Å; E21-R24 IonicContact OE2-CZ 3.76Å; E21-R24 VanDerWaalsContact OE2-CZ 3.26Å; E21-R24 IonicContact OE2-NE 3.51Å; E21-R24 PolarHBondContact OE2-NE 2.95Å; E21-R24 VanDerWaalsContact OE2-NE 3.07Å; E21-R24 IonicContact OE2-NH2 2.72Å; E21-R24 PolarHBondContact OE2-NH2 3.43Å; E21-V26 HydrophobicContact CB-CG2 3.43Å; E21-V26 VanDerWaalsContact CB-CG2 3.43Å; E21-V26 HydrophobicContact CG-CG2 3.68Å; E21-I57 HydrophobicContact CG-CG2 4.21Å
22E91.1Very high96.1Very high136 Ų13644.1 Ų44.164%0.63621%0.213SC*.SBendtrans-95.2-25.7-175.7-63-172.7175.500113.9S20 R86S20-E22 PolarHBondContact O-N 3.22Å; E22-R86 WeakPolarHBondContact O-CG 3.48Å; E22-R86 PolarHBondContact O-NE 2.87Å
23D93.4Very high95.9Very high101 Ų10139.1 Ų39.154%0.5420%0.199SC..SBendtrans-115.9-17.8-169.8-76.6-39.8000114.4Y85 R86 Y120D23-Y85 WeakPolarHBondContact O-CE2 3.32Å; D23-R86 IonicContact OD1-NH2 2.69Å; D23-Y120 WeakPolarHBondContact O-CE2 3.36Å
24R97.2Very high95.6Very high71 Ų7144.8 Ų44.827%0.26822%0.218SC..SBendtrans-113.4157.4-179.3-56.7-179.5-68.9172.51.5112.1E21 K53 F55 Y85E21-R24 VanDerWaalsContact CD-NE 3.27Å; E21-R24 HydrophobicContact CG-CB 3.84Å; E21-R24 WeakPolarHBondContact CG-O 3.42Å; E21-R24 VanDerWaalsContact OE1-CB 3.3Å; E21-R24 WeakPolarHBondContact OE1-CB 3.46Å; E21-R24 WeakPolarHBondContact OE1-CG 3.47Å; E21-R24 IonicContact OE1-CZ 3.54Å; E21-R24 PolarHBondContact OE1-N 2.87Å; E21-R24 IonicContact OE1-NE 2.67Å; E21-R24 PolarHBondContact OE1-NE 3.06Å; E21-R24 IonicContact OE1-NH2 3.26Å; E21-R24 IonicContact OE2-CZ 3.76Å; E21-R24 VanDerWaalsContact OE2-CZ 3.26Å; E21-R24 IonicContact OE2-NE 3.51Å; E21-R24 PolarHBondContact OE2-NE 2.95Å; E21-R24 VanDerWaalsContact OE2-NE 3.07Å; E21-R24 IonicContact OE2-NH2 2.72Å; E21-R24 PolarHBondContact OE2-NH2 3.43Å; R24-K53 WeakPolarHBondContact CD-O 3.47Å; R24-K53 PolarHBondContact NH1-O 3.44Å; R24-F55 CarbonylContact C-O 3.57Å; R24-F55 WeakPolarHBondContact CA-O 3.4Å; R24-Y85 WeakPolarHBondContact O-CD2 3.47Å
25V97.9Very high95.5Very high0 Ų046 Ų460%022%0.224CC..EExtended strand (participates in β ladder)trans-73.2126.3168.1178.60000108.6I27 F55 A56 I57 F83 F84 Y85 V119 Y120V25-I27 HydrophobicContact CG1-CG1 4.2Å; V25-F55 PolarHBondContact N-O 2.98Å; V25-A56 HydrophobicContact CB-CB 4.15Å; V25-A56 CarbonylContact O-C 3.6Å; V25-A56 WeakPolarHBondContact O-CA 3.32Å; V25-I57 PolarHBondContact O-N 2.85Å; V25-F83 HydrophobicContact CG1-CB 4.15Å; V25-F83 HydrophobicContact CG1-CD1 3.95Å; V25-F84 CarbonylContact C-O 3.48Å; V25-F84 WeakPolarHBondContact CA-O 3.41Å; V25-Y85 HydrophobicContact CG2-CD2 4.1Å; V25-V119 HydrophobicContact CG1-CG1 3.85Å; V25-V119 HydrophobicContact CG2-CG1 3.99Å; V25-Y120 HydrophobicContact CG2-CD2 4.02Å; V25-Y120 HydrophobicContact CG2-CG 4.38Å
26V98.3Very high95.5Very high0 Ų046.3 Ų46.30%023%0.231CC..EExtended strand (participates in β ladder)trans-87.9115.2169.5-177.80000107.8I18 E21 I28 I57 Y59 F83 F84I18-V26 HydrophobicContact CG1-CG1 4.47Å; E21-V26 HydrophobicContact CB-CG2 3.43Å; E21-V26 VanDerWaalsContact CB-CG2 3.43Å; E21-V26 HydrophobicContact CG-CG2 3.68Å; V26-I28 HydrophobicContact CG1-CD1 4.11Å; V26-I28 HydrophobicContact CG1-CG1 3.83Å; V26-I57 HydrophobicContact CB-CG2 4.42Å; V26-I57 HydrophobicContact CG2-CG2 4Å; V26-Y59 HydrophobicContact CG1-CD2 3.8Å; V26-Y59 HydrophobicContact CG1-CE2 4.04Å; V26-F83 CarbonylContact O-C 3.6Å; V26-F83 WeakPolarHBondContact O-CA 3.35Å; V26-F84 HydrophobicContact CB-CB 4.21Å; V26-F84 PolarHBondContact N-O 3.35Å; V26-F84 PolarHBondContact O-N 3.38Å
27I98.1Very high95.4Very high0 Ų044.4 Ų44.40%023%0.226CC..EExtended strand (participates in β ladder)trans-97.4123.9174.4-52.3173.4000106.8V25 L45 A56 I57 T58 Y59 V81 F83 F112 V116V25-I27 HydrophobicContact CG1-CG1 4.2Å; I27-L45 HydrophobicContact CG2-CD2 4.23Å; I27-A56 HydrophobicContact CD1-CB 3.88Å; I27-A56 HydrophobicContact CG1-CB 4.33Å; I27-I57 PolarHBondContact N-O 3.37Å; I27-T58 HydrophobicContact CB-CG2 4.35Å; I27-T58 HydrophobicContact CG2-CG2 4.35Å; I27-T58 CarbonylContact O-C 3.54Å; I27-T58 WeakPolarHBondContact O-CA 3.46Å; I27-Y59 PolarHBondContact O-N 3.39Å; I27-V81 HydrophobicContact CG2-CG1 3.72Å; I27-F83 HydrophobicContact CD1-CE1 4.35Å; I27-F83 HydrophobicContact CG1-CD1 3.94Å; I27-F83 HydrophobicContact CG1-CE1 4.01Å; I27-F83 HydrophobicContact CG2-CD1 4.45Å; I27-F83 HydrophobicContact CG2-CE1 4.13Å; I27-F112 HydrophobicContact CD1-CE1 4.18Å; I27-F112 HydrophobicContact CG2-CZ 4.31Å; I27-V116 HydrophobicContact CD1-CG1 3.94Å; I27-V116 HydrophobicContact CD1-CG2 3.63Å
28I98.2Very high95.3Very high0 Ų044.1 Ų44.10%022%0.224CC..EExtended strand (participates in β ladder)trans-120.1120.4176.1-51.5-173.3000109V14 I18 V26 F30 Y59 V61 V81 M82 F84V14-I28 HydrophobicContact CG1-CD1 4.01Å; I18-I28 HydrophobicContact CD1-CD1 3.74Å; I18-I28 HydrophobicContact CG1-CD1 3.71Å; V26-I28 HydrophobicContact CG1-CD1 4.11Å; V26-I28 HydrophobicContact CG1-CG1 3.83Å; I28-F30 HydrophobicContact CB-CD2 4.36Å; I28-F30 HydrophobicContact CB-CE2 3.77Å; I28-F30 HydrophobicContact CB-CZ 4.11Å; I28-F30 HydrophobicContact CD1-CZ 4.45Å; I28-F30 HydrophobicContact CG2-CD1 4.3Å; I28-F30 HydrophobicContact CG2-CD2 3.9Å; I28-F30 HydrophobicContact CG2-CE1 3.9Å; I28-F30 HydrophobicContact CG2-CE2 3.46Å; I28-F30 VanDerWaalsContact CG2-CE2 3.46Å; I28-F30 HydrophobicContact CG2-CG 4.3Å; I28-F30 HydrophobicContact CG2-CZ 3.46Å; I28-F30 VanDerWaalsContact CG2-CZ 3.46Å; I28-Y59 WeakPolarHBondContact CA-O 3.31Å; I28-V61 HydrophobicContact CG2-CB 4.3Å; I28-V61 HydrophobicContact CG2-CG2 3.56Å; I28-V81 WeakPolarHBondContact O-CA 3.42Å; I28-M82 PolarHBondContact N-O 2.91Å; I28-M82 PolarHBondContact O-N 3.32Å; I28-F84 HydrophobicContact CB-CE2 4.41Å; I28-F84 HydrophobicContact CD1-CD2 4.03Å; I28-F84 HydrophobicContact CD1-CE2 3.88Å; I28-F84 HydrophobicContact CG1-CD2 4.16Å; I28-F84 HydrophobicContact CG1-CE2 4.14Å
29R97.5Very high95.2Very high0 Ų049.2 Ų49.20%025%0.249CC..EExtended strand (participates in β ladder)trans-94.8109.8169.7-168.7-77.8-67.7149.6-7.3108.7G31 D33 M41 D42 L45 Y59 L60 V61 T80 V81R29-G31 PolarHBondContact NH1-O 2.81Å; R29-D33 IonicContact CZ-OD1 3.38Å; R29-D33 IonicContact NH1-OD1 3.57Å; R29-D33 IonicContact NH2-OD1 3.35Å; R29-D33 PolarHBondContact NH2-OD1 3.36Å; R29-M41 HydrophobicContact CG-CG 4.31Å; R29-D42 IonicContact CZ-OD1 3.1Å; R29-D42 IonicContact CZ-OD2 2.64Å; R29-D42 IonicContact NE-OD1 3.66Å; R29-D42 PolarHBondContact NE-OD1 3Å; R29-D42 IonicContact NE-OD2 3.26Å; R29-D42 IonicContact NH2-OD1 2.64Å; R29-D42 PolarHBondContact NH2-OD1 2.88Å; R29-D42 IonicContact NH2-OD2 2.87Å; R29-D42 PolarHBondContact NH2-OD2 3.36Å; R29-L45 HydrophobicContact CB-CD1 3.85Å; R29-L45 HydrophobicContact CG-CD1 4.12Å; R29-Y59 PolarHBondContact N-O 3.49Å; R29-L60 HydrophobicContact CB-CD2 3.7Å; R29-L60 HydrophobicContact CG-CD2 4.38Å; R29-V61 PolarHBondContact NH1-O 2.87Å; R29-V61 PolarHBondContact O-N 2.86Å; R29-T80 CarbonylContact C-O 3.6Å; R29-T80 WeakPolarHBondContact CA-O 3.38Å; R29-V81 HydrophobicContact CB-CG2 4.26Å; R29-V81 HydrophobicContact CG-CG2 3.96Å
30F97.8Very high95.2Very high1 Ų147.4 Ų47.40%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-91.4129.9170.7-63.6-83.3000109.9I28 V61 I63 Y73 L75 T80 M82I28-F30 HydrophobicContact CB-CD2 4.36Å; I28-F30 HydrophobicContact CB-CE2 3.77Å; I28-F30 HydrophobicContact CB-CZ 4.11Å; I28-F30 HydrophobicContact CD1-CZ 4.45Å; I28-F30 HydrophobicContact CG2-CD1 4.3Å; I28-F30 HydrophobicContact CG2-CD2 3.9Å; I28-F30 HydrophobicContact CG2-CE1 3.9Å; I28-F30 HydrophobicContact CG2-CE2 3.46Å; I28-F30 VanDerWaalsContact CG2-CE2 3.46Å; I28-F30 HydrophobicContact CG2-CG 4.3Å; I28-F30 HydrophobicContact CG2-CZ 3.46Å; I28-F30 VanDerWaalsContact CG2-CZ 3.46Å; F30-V61 WeakPolarHBondContact CA-O 3.34Å; F30-V61 HydrophobicContact CD1-CB 3.65Å; F30-V61 HydrophobicContact CD1-CG1 3.71Å; F30-V61 HydrophobicContact CD1-CG2 4.25Å; F30-V61 HydrophobicContact CE1-CB 3.91Å; F30-V61 HydrophobicContact CE1-CG1 3.87Å; F30-V61 HydrophobicContact CE1-CG2 4.04Å; F30-V61 HydrophobicContact CG-CB 4.48Å; F30-I63 HydrophobicContact CB-CG2 3.74Å; F30-I63 HydrophobicContact CD1-CG2 4.24Å; F30-I63 HydrophobicContact CG-CG2 4.48Å; F30-Y73 HydrophobicContact CE2-CD2 4.3Å; F30-Y73 HydrophobicContact CZ-CD2 4.09Å; F30-Y73 HydrophobicContact CZ-CE2 4.19Å; F30-L75 HydrophobicContact CB-CD1 3.85Å; F30-L75 HydrophobicContact CB-CD2 4.05Å; F30-L75 HydrophobicContact CD1-CD1 3.53Å; F30-L75 HydrophobicContact CD2-CD1 4.29Å; F30-L75 HydrophobicContact CD2-CD2 4.15Å; F30-L75 HydrophobicContact CE1-CD1 4.11Å; F30-L75 HydrophobicContact CG-CD1 3.64Å; F30-L75 HydrophobicContact CG-CD2 4.1Å; F30-T80 HydrophobicContact CD2-CG2 4.4Å; F30-T80 PolarHBondContact N-O 2.78Å; F30-T80 PolarHBondContact O-N 2.84Å; F30-M82 HydrophobicContact CD2-CG 4.47Å; F30-M82 HydrophobicContact CD2-SD 4.29Å; F30-M82 HydrophobicContact CE2-CB 4.35Å; F30-M82 HydrophobicContact CE2-CG 4.38Å; F30-M82 HydrophobicContact CE2-SD 4Å
31G96.1Very high95.2Very high0 Ų044.1 Ų44.10%022%0.219CC..EExtended strand (participates in β ladder)trans154.1-167.4176.700000111.8R29 V61 D62 P78R29-G31 PolarHBondContact NH1-O 2.81Å; G31-V61 PolarHBondContact N-O 2.64Å; G31-V61 VanDerWaalsContact O-O 3.07Å; G31-D62 WeakPolarHBondContact O-CA 3.2Å; G31-P78 VanDerWaalsContact CA-O 3.3Å; G31-P78 WeakPolarHBondContact CA-O 3.36Å
32H94.8Very high95.4Very high23 Ų2344 Ų4411%0.10622%0.219CC..  trans-106130.6-179.5-63.7-57.4000111.5W34 D35 C38 D62 I63 T64H32-W34 HydrophobicContact CB-CD2 3.95Å; H32-W34 VanDerWaalsContact CB-CE2 3.49Å; H32-W34 HydrophobicContact CB-CG 4.27Å; H32-W34 HydrophobicContact CB-CH2 4.41Å; H32-W34 HydrophobicContact CB-CZ2 3.75Å; H32-W34 AromaticContact CD2-CZ2 3.7Å; H32-W34 AromaticContact CG-CE2 3.78Å; H32-W34 AromaticContact CG-CZ2 3.62Å; H32-W34 AromaticContact CG-NE1 3.86Å; H32-W34 PolarHBondContact O-N 2.79Å; H32-W34 VanDerWaalsContact O-N 3.07Å; H32-D35 HydrophobicContact CB-CB 4.29Å; H32-D35 WeakPolarHBondContact O-CB 3.34Å; H32-D35 PolarHBondContact O-N 2.84Å; H32-C38 WeakPolarHBondContact O-CB 3.38Å; H32-C38 PolarHBondContact O-SG 2.86Å; H32-C38 VanDerWaalsContact O-SG 3.41Å; H32-D62 IonicContact CE1-OD1 3.57Å; H32-D62 PolarHBondContact CE1-OD1 3.05Å; H32-D62 IonicContact CE1-OD2 3.62Å; H32-D62 IonicContact CG-OD2 3.5Å; H32-D62 IonicContact ND1-OD1 2.84Å; H32-D62 PolarHBondContact ND1-OD1 3.35Å; H32-D62 IonicContact ND1-OD2 2.77Å; H32-D62 PolarHBondContact ND1-OD2 2.9Å; H32-I63 WeakPolarHBondContact NE2-CG1 3.21Å; H32-T64 WeakPolarHBondContact CE1-CG2 3.45Å; H32-T64 PolarHBondContact CE1-OG1 3.12Å
33D91.8Very high95.5Very high68 Ų6842.6 Ų42.636%0.36421%0.212SC..THydrogen-bonded Turntrans-56.9-29-179.6-64.42.3000113.4H7 R29 M39H7-D33 IonicContact CD2-OD2 3.54Å; H7-D33 IonicContact CE1-OD2 3Å; H7-D33 IonicContact NE2-OD1 3.88Å; H7-D33 PolarHBondContact NE2-OD1 3.09Å; H7-D33 IonicContact NE2-OD2 3.9Å; H7-D33 PolarHBondContact NE2-OD2 2.63Å; R29-D33 IonicContact CZ-OD1 3.38Å; R29-D33 IonicContact NH1-OD1 3.57Å; R29-D33 IonicContact NH2-OD1 3.35Å; R29-D33 PolarHBondContact NH2-OD1 3.36Å; D33-M39 VanDerWaalsContact O-CG 3.3Å; D33-M39 WeakPolarHBondContact O-CG 3.5Å
34W91.8Very high95.6Very high179 Ų17938 Ų3868%0.67819%0.188SC*.THydrogen-bonded Turntrans-84-10.3178.855.5-100.6000113.6H32H32-W34 HydrophobicContact CB-CD2 3.95Å; H32-W34 VanDerWaalsContact CB-CE2 3.49Å; H32-W34 HydrophobicContact CB-CG 4.27Å; H32-W34 HydrophobicContact CB-CH2 4.41Å; H32-W34 HydrophobicContact CB-CZ2 3.75Å; H32-W34 AromaticContact CD2-CZ2 3.7Å; H32-W34 AromaticContact CG-CE2 3.78Å; H32-W34 AromaticContact CG-CZ2 3.62Å; H32-W34 AromaticContact CG-NE1 3.86Å; H32-W34 PolarHBondContact O-N 2.79Å; H32-W34 VanDerWaalsContact O-N 3.07Å
35D94.6Very high95.5Very high24 Ų2434.6 Ų34.613%0.12818%0.175CC..SBendtrans-72.5131177.7-173-90000110.1H32 S37 C38 M39 P78H32-D35 HydrophobicContact CB-CB 4.29Å; H32-D35 WeakPolarHBondContact O-CB 3.34Å; H32-D35 PolarHBondContact O-N 2.84Å; D35-S37 PolarHBondContact O-N 2.82Å; D35-S37 VanDerWaalsContact O-N 3.09Å; D35-S37 WeakPolarHBondContact OD1-CA 3.21Å; D35-S37 WeakPolarHBondContact OD1-CB 3.35Å; D35-S37 PolarHBondContact OD1-N 2.88Å; D35-S37 PolarHBondContact OD1-OG 3.46Å; D35-C38 HydrophobicContact CB-CB 4.24Å; D35-C38 PolarHBondContact O-N 3.15Å; D35-M39 WeakPolarHBondContact O-CG 3.18Å; D35-M39 PolarHBondContact O-N 3.27Å; D35-P78 WeakPolarHBondContact OD1-CB 3.15Å
36P95Very high95.3Very high91 Ų9139.5 Ų39.559%0.59120%0.196SC*.Hα-helixtrans-54.1-33.9-179.3-27.835.3000113.9M39 V40P36-M39 PolarHBondContact O-N 3.47Å; P36-V40 WeakPolarHBondContact O-CG2 3.48Å; P36-V40 PolarHBondContact O-N 2.8Å
37S94.2Very high95.1Very high37 Ų3745.2 Ų45.226%0.25922%0.221SC..Hα-helixtrans-69.5-42.9178.2-44.10000111D35 V40 M41 P105D35-S37 PolarHBondContact O-N 2.82Å; D35-S37 VanDerWaalsContact O-N 3.09Å; D35-S37 WeakPolarHBondContact OD1-CA 3.21Å; D35-S37 WeakPolarHBondContact OD1-CB 3.35Å; D35-S37 PolarHBondContact OD1-N 2.88Å; D35-S37 PolarHBondContact OD1-OG 3.46Å; S37-V40 PolarHBondContact O-N 3.39Å; S37-M41 WeakPolarHBondContact O-CB 3.33Å; S37-M41 PolarHBondContact O-N 3.31Å; S37-M41 VanDerWaalsContact O-N 3.08Å; S37-P105 WeakPolarHBondContact O-CB 3.36Å
38C95.6Very high94.9Very high0 Ų045.3 Ų45.30%022%0.222CC..Hα-helixtrans-65.4-39.8174.8-73.70000111.4H32 D35 V40 M41 D42 P78 C79H32-C38 WeakPolarHBondContact O-CB 3.38Å; H32-C38 PolarHBondContact O-SG 2.86Å; H32-C38 VanDerWaalsContact O-SG 3.41Å; D35-C38 HydrophobicContact CB-CB 4.24Å; D35-C38 PolarHBondContact O-N 3.15Å; C38-V40 VanDerWaalsContact C-N 3.34Å; C38-V40 PolarHBondContact O-N 2.76Å; C38-M41 PolarHBondContact O-N 3.32Å; C38-M41 VanDerWaalsContact O-N 3.16Å; C38-D42 VanDerWaalsContact O-CB 3.24Å; C38-D42 WeakPolarHBondContact O-CB 3.29Å; C38-D42 PolarHBondContact O-N 2.81Å; C38-P78 PolarHBondContact SG-O 2.58Å; C38-C79 VanDerWaalsContact SG-CB 3.59Å
39M94.9Very high94.7Very high113 Ų11346.2 Ų46.256%0.55723%0.229SC*.Hα-helixtrans-58.1-45.5177.6-67.3177.571.300112.1D33 D35 P36 E43D33-M39 VanDerWaalsContact O-CG 3.3Å; D33-M39 WeakPolarHBondContact O-CG 3.5Å; D35-M39 WeakPolarHBondContact O-CG 3.18Å; D35-M39 PolarHBondContact O-N 3.27Å; P36-M39 PolarHBondContact O-N 3.47Å; M39-E43 WeakPolarHBondContact O-CB 3.36Å; M39-E43 PolarHBondContact O-N 2.97Å
40V94.6Very high94.5Very high56 Ų5650.2 Ų50.234%0.33925%0.248SC..Hα-helixtrans-64.4-43.5176.61760000110.8P36 S37 C38 T44 P105 A107P36-V40 WeakPolarHBondContact O-CG2 3.48Å; P36-V40 PolarHBondContact O-N 2.8Å; S37-V40 PolarHBondContact O-N 3.39Å; C38-V40 VanDerWaalsContact C-N 3.34Å; C38-V40 PolarHBondContact O-N 2.76Å; V40-T44 PolarHBondContact O-N 3.34Å; V40-T44 PolarHBondContact O-OG1 2.94Å; V40-P105 HydrophobicContact CB-CB 3.92Å; V40-P105 HydrophobicContact CG1-CB 3.85Å; V40-A107 HydrophobicContact CG1-CB 3.94Å
41M95.1Very high94.3Very high0 Ų056.9 Ų56.90%027%0.273CS..Hα-helixtrans-65.3-43.9179.6-168.164-148.200112R29 S37 C38 E43 T44 L45 V81 I106 F112R29-M41 HydrophobicContact CG-CG 4.31Å; S37-M41 WeakPolarHBondContact O-CB 3.33Å; S37-M41 PolarHBondContact O-N 3.31Å; S37-M41 VanDerWaalsContact O-N 3.08Å; C38-M41 PolarHBondContact O-N 3.32Å; C38-M41 VanDerWaalsContact O-N 3.16Å; M41-E43 VanDerWaalsContact C-N 3.35Å; M41-E43 PolarHBondContact O-N 2.86Å; M41-T44 WeakPolarHBondContact O-CB 3.31Å; M41-T44 PolarHBondContact O-N 3.22Å; M41-T44 VanDerWaalsContact O-N 3.16Å; M41-L45 HydrophobicContact CE-CD1 4.29Å; M41-L45 HydrophobicContact CE-CD2 3.84Å; M41-L45 HydrophobicContact CE-CG 3.88Å; M41-L45 HydrophobicContact CG-CD1 4.11Å; M41-L45 HydrophobicContact CG-CG 4.42Å; M41-L45 VanDerWaalsContact O-CG 3.3Å; M41-L45 WeakPolarHBondContact O-CG 3.36Å; M41-L45 PolarHBondContact O-N 2.86Å; M41-V81 HydrophobicContact CE-CG2 3.93Å; M41-V81 HydrophobicContact CG-CG2 3.82Å; M41-V81 HydrophobicContact SD-CG2 4.17Å; M41-I106 HydrophobicContact SD-CB 4.46Å; M41-F112 HydrophobicContact CE-CD1 4.5Å; M41-F112 HydrophobicContact CE-CD2 3.49Å; M41-F112 VanDerWaalsContact CE-CD2 3.49Å; M41-F112 HydrophobicContact CE-CE1 4.16Å; M41-F112 HydrophobicContact CE-CE2 3.13Å; M41-F112 HydrophobicContact CE-CG 4.16Å; M41-F112 HydrophobicContact CE-CZ 3.48Å; M41-F112 VanDerWaalsContact CE-CZ 3.48Å
42D95.2Very high94.3Very high23 Ų2357 Ų5712%0.12327%0.273CS..Hα-helixtrans-66.5-36.8-179.3-72.1-2.7000111.2L5 R29 C38 T44 L45 F46 L60L5-D42 HydrophobicContact CD1-CB 4.43Å; R29-D42 IonicContact CZ-OD1 3.1Å; R29-D42 IonicContact CZ-OD2 2.64Å; R29-D42 IonicContact NE-OD1 3.66Å; R29-D42 PolarHBondContact NE-OD1 3Å; R29-D42 IonicContact NE-OD2 3.26Å; R29-D42 IonicContact NH2-OD1 2.64Å; R29-D42 PolarHBondContact NH2-OD1 2.88Å; R29-D42 IonicContact NH2-OD2 2.87Å; R29-D42 PolarHBondContact NH2-OD2 3.36Å; C38-D42 VanDerWaalsContact O-CB 3.24Å; C38-D42 WeakPolarHBondContact O-CB 3.29Å; C38-D42 PolarHBondContact O-N 2.81Å; D42-T44 VanDerWaalsContact C-N 3.33Å; D42-T44 PolarHBondContact O-N 2.85Å; D42-L45 PolarHBondContact O-N 3.48Å; D42-F46 WeakPolarHBondContact O-CB 3.18Å; D42-F46 PolarHBondContact O-N 2.92Å; D42-L60 WeakPolarHBondContact OD1-CD2 3.41Å
43E93.8Very high94.3Very high108 Ų10859.5 Ų59.551%0.50528%0.284SS..Hα-helixtrans-60.2-44.1171.6-170.9-175.2172.100111.2M39 M41 K47M39-E43 WeakPolarHBondContact O-CB 3.36Å; M39-E43 PolarHBondContact O-N 2.97Å; M41-E43 VanDerWaalsContact C-N 3.35Å; M41-E43 PolarHBondContact O-N 2.86Å; E43-K47 HydrophobicContact CG-CD 4.4Å; E43-K47 VanDerWaalsContact O-CG 3.3Å; E43-K47 WeakPolarHBondContact O-CG 3.34Å; E43-K47 PolarHBondContact O-N 3.41Å; E43-K47 WeakPolarHBondContact OE1-CE 3.18Å; E43-K47 IonicContact OE1-NZ 2.64Å; E43-K47 PolarHBondContact OE1-NZ 3.37Å
44T95.1Very high94.4Very high3 Ų362.4 Ų62.42%0.01830%0.3CS..Hα-helixtrans-63.3-49.6175.1-60.90000111.3V40 M41 D42 F46 K47 I48 I106 A107 F112V40-T44 PolarHBondContact O-N 3.34Å; V40-T44 PolarHBondContact O-OG1 2.94Å; M41-T44 WeakPolarHBondContact O-CB 3.31Å; M41-T44 PolarHBondContact O-N 3.22Å; M41-T44 VanDerWaalsContact O-N 3.16Å; D42-T44 VanDerWaalsContact C-N 3.33Å; D42-T44 PolarHBondContact O-N 2.85Å; T44-F46 VanDerWaalsContact C-N 3.28Å; T44-F46 PolarHBondContact O-N 3.42Å; T44-K47 PolarHBondContact O-N 3.01Å; T44-I48 HydrophobicContact CG2-CG2 4.5Å; T44-I48 WeakPolarHBondContact O-CG1 3.38Å; T44-I48 WeakPolarHBondContact O-CG2 3.44Å; T44-I48 PolarHBondContact O-N 3.03Å; T44-I48 VanDerWaalsContact O-N 3.07Å; T44-I106 VanDerWaalsContact CB-O 3.27Å; T44-I106 WeakPolarHBondContact CB-O 3.26Å; T44-I106 WeakPolarHBondContact CG2-O 3.34Å; T44-I106 PolarHBondContact OG1-O 2.79Å; T44-A107 WeakPolarHBondContact OG1-CA 3.49Å; T44-A107 PolarHBondContact OG1-O 2.64Å; T44-F112 HydrophobicContact CG2-CB 4.07Å
45L95.6Very high94.5Very high0 Ų055.6 Ų55.60%028%0.275CS..Hα-helixtrans-58.3-40.9179.4-71.6172000111.7L5 I27 R29 M41 D42 I48 A49 T58 L60 F112L5-L45 HydrophobicContact CD1-CB 3.65Å; L5-L45 HydrophobicContact CD2-CB 4.45Å; I27-L45 HydrophobicContact CG2-CD2 4.23Å; R29-L45 HydrophobicContact CB-CD1 3.85Å; R29-L45 HydrophobicContact CG-CD1 4.12Å; M41-L45 HydrophobicContact CE-CD1 4.29Å; M41-L45 HydrophobicContact CE-CD2 3.84Å; M41-L45 HydrophobicContact CE-CG 3.88Å; M41-L45 HydrophobicContact CG-CD1 4.11Å; M41-L45 HydrophobicContact CG-CG 4.42Å; M41-L45 VanDerWaalsContact O-CG 3.3Å; M41-L45 WeakPolarHBondContact O-CG 3.36Å; M41-L45 PolarHBondContact O-N 2.86Å; D42-L45 PolarHBondContact O-N 3.48Å; L45-I48 HydrophobicContact CD2-CD1 4.34Å; L45-I48 WeakPolarHBondContact O-CG1 3.44Å; L45-A49 WeakPolarHBondContact O-CB 3.3Å; L45-A49 PolarHBondContact O-N 2.85Å; L45-T58 HydrophobicContact CB-CG2 4.16Å; L45-T58 HydrophobicContact CD1-CG2 3.88Å; L45-T58 HydrophobicContact CD2-CG2 3.9Å; L45-T58 HydrophobicContact CG-CG2 4.18Å; L45-L60 HydrophobicContact CD1-CD2 4.3Å; L45-F112 HydrophobicContact CD2-CD1 4.39Å; L45-F112 HydrophobicContact CD2-CE1 3.58Å; L45-F112 HydrophobicContact CD2-CZ 3.83Å
46F93.7Very high94.7Very high103 Ų10354.6 Ų54.645%0.45227%0.27SS..Hα-helixtrans-65-46177-179.1-95.4000111.6Y3 L5 D42 T44 I48 A49Y3-F46 WeakPolarHBondContact O-CD2 3.18Å; Y3-F46 WeakPolarHBondContact O-CE2 3.21Å; L5-F46 HydrophobicContact CD1-CB 4.33Å; D42-F46 WeakPolarHBondContact O-CB 3.18Å; D42-F46 PolarHBondContact O-N 2.92Å; T44-F46 VanDerWaalsContact C-N 3.28Å; T44-F46 PolarHBondContact O-N 3.42Å; F46-I48 VanDerWaalsContact C-N 3.3Å; F46-I48 PolarHBondContact O-N 3.22Å; F46-A49 PolarHBondContact O-N 3.33Å
47K92.7Very high94.7Very high121 Ų12151.9 Ų51.953%0.52625%0.25SS..Hα-helixtrans-60.9-37.4178.9-76.7171.8-176.3166.80112.8E43 T44E43-K47 HydrophobicContact CG-CD 4.4Å; E43-K47 VanDerWaalsContact O-CG 3.3Å; E43-K47 WeakPolarHBondContact O-CG 3.34Å; E43-K47 PolarHBondContact O-N 3.41Å; E43-K47 WeakPolarHBondContact OE1-CE 3.18Å; E43-K47 IonicContact OE1-NZ 2.64Å; E43-K47 PolarHBondContact OE1-NZ 3.37Å; T44-K47 PolarHBondContact O-N 3.01Å
48I94.8Very high94.8Very high2 Ų250.8 Ų50.81%0.0124%0.242CC..Hα-helixtrans-89.7-18.1-176.271176.1000113.4T44 L45 F46 E50 R51 V52 G109 F112 I113T44-I48 HydrophobicContact CG2-CG2 4.5Å; T44-I48 WeakPolarHBondContact O-CG1 3.38Å; T44-I48 WeakPolarHBondContact O-CG2 3.44Å; T44-I48 PolarHBondContact O-N 3.03Å; T44-I48 VanDerWaalsContact O-N 3.07Å; L45-I48 HydrophobicContact CD2-CD1 4.34Å; L45-I48 WeakPolarHBondContact O-CG1 3.44Å; F46-I48 VanDerWaalsContact C-N 3.3Å; F46-I48 PolarHBondContact O-N 3.22Å; I48-E50 VanDerWaalsContact C-N 3.27Å; I48-E50 PolarHBondContact O-N 2.78Å; I48-E50 VanDerWaalsContact O-N 3.16Å; I48-R51 WeakPolarHBondContact O-CA 3.38Å; I48-R51 WeakPolarHBondContact O-CB 3.41Å; I48-R51 PolarHBondContact O-N 3.01Å; I48-V52 HydrophobicContact CB-CG1 4.47Å; I48-V52 PolarHBondContact O-N 2.84Å; I48-G109 WeakPolarHBondContact CG2-O 2.94Å; I48-F112 HydrophobicContact CD1-CB 4.45Å; I48-F112 HydrophobicContact CD1-CD1 3.13Å; I48-F112 HydrophobicContact CD1-CE1 3.63Å; I48-F112 HydrophobicContact CD1-CG 4.16Å; I48-I113 HydrophobicContact CB-CD1 4Å; I48-I113 HydrophobicContact CB-CG1 3.85Å; I48-I113 HydrophobicContact CG2-CD1 3.73Å; I48-I113 HydrophobicContact CG2-CG1 3.73Å
49A93.8Very high94.9Very high18 Ų1852.6 Ų52.615%0.14925%0.249CC..Hα-helixtrans-49.9-47-170.900000112.5L5 L45 F46 R51 V52 K53L5-A49 HydrophobicContact CD2-CB 4.38Å; L45-A49 WeakPolarHBondContact O-CB 3.3Å; L45-A49 PolarHBondContact O-N 2.85Å; F46-A49 PolarHBondContact O-N 3.33Å; A49-R51 VanDerWaalsContact C-N 3.33Å; A49-R51 PolarHBondContact O-N 2.85Å; A49-V52 PolarHBondContact O-N 2.91Å; A49-K53 WeakPolarHBondContact O-CB 3.35Å; A49-K53 PolarHBondContact O-N 2.85Å
50E93.2Very high95Very high85 Ų8547.5 Ų47.540%0.39722%0.224SC..Hα-helixtrans-67.4-31.6179-179.560.5-164.500112.9Y3 I48 K53Y3-E50 WeakPolarHBondContact CE2-OE2 3.46Å; Y3-E50 PolarHBondContact OH-OE2 2.77Å; I48-E50 VanDerWaalsContact C-N 3.27Å; I48-E50 PolarHBondContact O-N 2.78Å; I48-E50 VanDerWaalsContact O-N 3.16Å; E50-K53 WeakPolarHBondContact O-CD 3.36Å; E50-K53 WeakPolarHBondContact O-CG 3.45Å; E50-K53 WeakPolarHBondContact OE1-CE 3.44Å; E50-K53 IonicContact OE1-NZ 3.9Å; E50-K53 PolarHBondContact OE1-NZ 3.04Å; E50-K53 WeakPolarHBondContact OE2-CD 3.48Å; E50-K53 IonicContact OE2-NZ 3.07Å
51R94.4Very high95.2Very high141 Ų14144.9 Ų44.953%0.53221%0.208SC..Hα-helixtrans-75.4-32.7179.5-63.3177.764.6-167.9-4.1112.1I48 A49 I113I48-R51 WeakPolarHBondContact O-CA 3.38Å; I48-R51 WeakPolarHBondContact O-CB 3.41Å; I48-R51 PolarHBondContact O-N 3.01Å; A49-R51 VanDerWaalsContact C-N 3.33Å; A49-R51 PolarHBondContact O-N 2.85Å; R51-I113 HydrophobicContact CB-CD1 4.12Å; R51-I113 VanDerWaalsContact NH1-CD1 3.26Å
52V95.4Very high95.2Very high1 Ų146 Ų461%0.00621%0.214CC..Hα-helixtrans-98.6-7.8-176.8-54.50000113.9I48 A49 N54 F55 A56 I113I48-V52 HydrophobicContact CB-CG1 4.47Å; I48-V52 PolarHBondContact O-N 2.84Å; A49-V52 PolarHBondContact O-N 2.91Å; V52-N54 PolarHBondContact O-N 2.97Å; V52-F55 HydrophobicContact CB-CE1 4.2Å; V52-F55 HydrophobicContact CB-CE2 4.13Å; V52-F55 HydrophobicContact CB-CZ 3.86Å; V52-F55 HydrophobicContact CG1-CE1 4.43Å; V52-F55 HydrophobicContact CG1-CE2 4.21Å; V52-F55 HydrophobicContact CG1-CZ 3.77Å; V52-F55 CarbonylContact O-C 3.57Å; V52-F55 PolarHBondContact O-N 2.96Å; V52-A56 HydrophobicContact CB-CB 4.12Å; V52-A56 HydrophobicContact CG2-CB 4.01Å; V52-A56 PolarHBondContact O-N 3.17Å; V52-I113 HydrophobicContact CG1-CG1 3.82Å
53K94.4Very high95.3Very high76 Ų7645.8 Ų45.833%0.3321%0.212SC..THydrogen-bonded Turntrans-48.7-28.6-172.572-176-179176.20116.4R24 A49 E50 F55 A56R24-K53 WeakPolarHBondContact CD-O 3.47Å; R24-K53 PolarHBondContact NH1-O 3.44Å; A49-K53 WeakPolarHBondContact O-CB 3.35Å; A49-K53 PolarHBondContact O-N 2.85Å; E50-K53 WeakPolarHBondContact O-CD 3.36Å; E50-K53 WeakPolarHBondContact O-CG 3.45Å; E50-K53 WeakPolarHBondContact OE1-CE 3.44Å; E50-K53 IonicContact OE1-NZ 3.9Å; E50-K53 PolarHBondContact OE1-NZ 3.04Å; E50-K53 WeakPolarHBondContact OE2-CD 3.48Å; E50-K53 IonicContact OE2-NZ 3.07Å; K53-F55 VanDerWaalsContact C-N 3.31Å; K53-A56 WeakPolarHBondContact CA-O 3.39Å
54N94.2Very high95.3Very high130 Ų13045.6 Ų45.670%0.69522%0.219SC*.THydrogen-bonded Turntrans-75.9-18.5-179-67.4-23.7000113V52V52-N54 PolarHBondContact O-N 2.97Å
55F95.2Very high95.4Very high36 Ų3650.6 Ų50.616%0.15824%0.242CC..THydrogen-bonded Turntrans-139.6-5.1-176.163.2-90000114.3R24 V25 V52 K53 V116 E117 Y120R24-F55 CarbonylContact C-O 3.57Å; R24-F55 WeakPolarHBondContact CA-O 3.4Å; V25-F55 PolarHBondContact N-O 2.98Å; V52-F55 HydrophobicContact CB-CE1 4.2Å; V52-F55 HydrophobicContact CB-CE2 4.13Å; V52-F55 HydrophobicContact CB-CZ 3.86Å; V52-F55 HydrophobicContact CG1-CE1 4.43Å; V52-F55 HydrophobicContact CG1-CE2 4.21Å; V52-F55 HydrophobicContact CG1-CZ 3.77Å; V52-F55 CarbonylContact O-C 3.57Å; V52-F55 PolarHBondContact O-N 2.96Å; K53-F55 VanDerWaalsContact C-N 3.31Å; F55-V116 HydrophobicContact CD2-CG1 4.1Å; F55-V116 HydrophobicContact CE2-CB 4.32Å; F55-V116 HydrophobicContact CE2-CG1 3.69Å; F55-E117 HydrophobicContact CE2-CB 4.31Å; F55-Y120 HydrophobicContact CB-CD1 3.73Å; F55-Y120 HydrophobicContact CB-CD2 3.9Å; F55-Y120 HydrophobicContact CB-CE1 3.6Å; F55-Y120 HydrophobicContact CB-CE2 3.78Å; F55-Y120 HydrophobicContact CB-CG 3.85Å; F55-Y120 HydrophobicContact CD2-CD1 4.05Å; F55-Y120 AromaticContact CD2-CG 3.99Å; F55-Y120 HydrophobicContact CD2-CG 3.99Å; F55-Y120 HydrophobicContact CG-CD1 4.1Å; F55-Y120 HydrophobicContact CG-CE1 4.32Å; F55-Y120 HydrophobicContact CG-CG 4.31Å
56A97.2Very high95.4Very high2 Ų250.7 Ų50.72%0.01724%0.242CC..EExtended strand (participates in β ladder)trans-144.3153.9172.100000112V25 I27 V52 K53 V116V25-A56 HydrophobicContact CB-CB 4.15Å; V25-A56 CarbonylContact O-C 3.6Å; V25-A56 WeakPolarHBondContact O-CA 3.32Å; I27-A56 HydrophobicContact CD1-CB 3.88Å; I27-A56 HydrophobicContact CG1-CB 4.33Å; V52-A56 HydrophobicContact CB-CB 4.12Å; V52-A56 HydrophobicContact CG2-CB 4.01Å; V52-A56 PolarHBondContact O-N 3.17Å; K53-A56 WeakPolarHBondContact CA-O 3.39Å; A56-V116 HydrophobicContact CB-CG1 3.47Å; A56-V116 VanDerWaalsContact CB-CG1 3.47Å
57I96.3Very high95.5Very high35 Ų3549.1 Ų49.118%0.17924%0.243CC..EExtended strand (participates in β ladder)trans-131.6141.7172.5-174.7158.9000108.8E21 V25 V26 I27 Y59E21-I57 HydrophobicContact CG-CG2 4.21Å; V25-I57 PolarHBondContact O-N 2.85Å; V26-I57 HydrophobicContact CB-CG2 4.42Å; V26-I57 HydrophobicContact CG2-CG2 4Å; I27-I57 PolarHBondContact N-O 3.37Å; I57-Y59 HydrophobicContact CB-CE2 4.48Å; I57-Y59 HydrophobicContact CD1-CE2 4.07Å; I57-Y59 WeakPolarHBondContact CD1-OH 3.37Å; I57-Y59 HydrophobicContact CG1-CE2 3.83Å; I57-Y59 HydrophobicContact CG2-CE2 3.9Å
58T96.4Very high95.7Very high13 Ų1348.6 Ų48.68%0.0825%0.246CC..EExtended strand (participates in β ladder)trans-117.3134.9-174.8-54.30000111.2L5 I27 L45L5-T58 HydrophobicContact CD2-CG2 4.11Å; I27-T58 HydrophobicContact CB-CG2 4.35Å; I27-T58 HydrophobicContact CG2-CG2 4.35Å; I27-T58 CarbonylContact O-C 3.54Å; I27-T58 WeakPolarHBondContact O-CA 3.46Å; L45-T58 HydrophobicContact CB-CG2 4.16Å; L45-T58 HydrophobicContact CD1-CG2 3.88Å; L45-T58 HydrophobicContact CD2-CG2 3.9Å; L45-T58 HydrophobicContact CG-CG2 4.18Å
59Y97.2Very high95.7Very high39 Ų3949 Ų4915%0.15325%0.247CC..EExtended strand (participates in β ladder)trans-127.7151174.3-63.8-75000111.6S6 L8 A17 V26 I27 I28 R29 I57S6-Y59 WeakPolarHBondContact O-CA 3.14Å; L8-Y59 HydrophobicContact CD1-CD1 3.98Å; L8-Y59 HydrophobicContact CD1-CD2 4.25Å; L8-Y59 HydrophobicContact CD1-CG 3.7Å; L8-Y59 HydrophobicContact CD2-CD1 3.62Å; L8-Y59 HydrophobicContact CD2-CE1 3.98Å; L8-Y59 HydrophobicContact CD2-CG 4.23Å; L8-Y59 HydrophobicContact CG-CD1 3.83Å; L8-Y59 HydrophobicContact CG-CG 4Å; A17-Y59 HydrophobicContact CB-CD2 4.08Å; A17-Y59 HydrophobicContact CB-CE2 3.78Å; V26-Y59 HydrophobicContact CG1-CD2 3.8Å; V26-Y59 HydrophobicContact CG1-CE2 4.04Å; I27-Y59 PolarHBondContact O-N 3.39Å; I28-Y59 WeakPolarHBondContact CA-O 3.31Å; R29-Y59 PolarHBondContact N-O 3.49Å; I57-Y59 HydrophobicContact CB-CE2 4.48Å; I57-Y59 HydrophobicContact CD1-CE2 4.07Å; I57-Y59 WeakPolarHBondContact CD1-OH 3.37Å; I57-Y59 HydrophobicContact CG1-CE2 3.83Å; I57-Y59 HydrophobicContact CG2-CE2 3.9Å
60L97.3Very high95.7Very high6 Ų649.8 Ų49.83%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-111139.9175.6-53.6-175.8000109.6L5 S6 H7 L8 R29 D42 L45L5-L60 HydrophobicContact CB-CD1 3.56Å; L5-L60 HydrophobicContact CB-CD2 4.22Å; L5-L60 HydrophobicContact CB-CG 3.72Å; L5-L60 HydrophobicContact CD1-CD1 4.09Å; L5-L60 HydrophobicContact CD1-CD2 4Å; L5-L60 HydrophobicContact CD1-CG 4.34Å; L5-L60 HydrophobicContact CG-CD1 4.47Å; S6-L60 PolarHBondContact O-N 2.94Å; H7-L60 CarbonylContact C-O 3.54Å; H7-L60 VanDerWaalsContact CA-O 3.3Å; H7-L60 WeakPolarHBondContact CA-O 3.43Å; L8-L60 PolarHBondContact N-O 2.67Å; R29-L60 HydrophobicContact CB-CD2 3.7Å; R29-L60 HydrophobicContact CG-CD2 4.38Å; D42-L60 WeakPolarHBondContact OD1-CD2 3.41Å; L45-L60 HydrophobicContact CD1-CD2 4.3Å
61V97.5Very high95.8Very high0 Ų054.5 Ų54.50%027%0.268CS..EExtended strand (participates in β ladder)trans-134.5121.1178.4179.30000109.1L8 V14 I28 R29 F30 G31 V66L8-V61 HydrophobicContact CB-CG2 4.09Å; L8-V61 HydrophobicContact CD1-CG2 4.45Å; V14-V61 HydrophobicContact CG2-CG1 4.44Å; V14-V61 HydrophobicContact CG2-CG2 3.8Å; I28-V61 HydrophobicContact CG2-CB 4.3Å; I28-V61 HydrophobicContact CG2-CG2 3.56Å; R29-V61 PolarHBondContact NH1-O 2.87Å; R29-V61 PolarHBondContact O-N 2.86Å; F30-V61 WeakPolarHBondContact CA-O 3.34Å; F30-V61 HydrophobicContact CD1-CB 3.65Å; F30-V61 HydrophobicContact CD1-CG1 3.71Å; F30-V61 HydrophobicContact CD1-CG2 4.25Å; F30-V61 HydrophobicContact CE1-CB 3.91Å; F30-V61 HydrophobicContact CE1-CG1 3.87Å; F30-V61 HydrophobicContact CE1-CG2 4.04Å; F30-V61 HydrophobicContact CG-CB 4.48Å; G31-V61 PolarHBondContact N-O 2.64Å; G31-V61 VanDerWaalsContact O-O 3.07Å; V61-V66 HydrophobicContact CG1-CB 3.83Å; V61-V66 HydrophobicContact CG1-CG1 4.37Å; V61-V66 HydrophobicContact CG1-CG2 4.21Å
62D96.7Very high95.7Very high24 Ų2454 Ų5413%0.12827%0.274CS..  trans-79.1118.5168.6-172.5-64.4000110.2G31 H32 T64 Q65 V66G31-D62 WeakPolarHBondContact O-CA 3.2Å; H32-D62 IonicContact CE1-OD1 3.57Å; H32-D62 PolarHBondContact CE1-OD1 3.05Å; H32-D62 IonicContact CE1-OD2 3.62Å; H32-D62 IonicContact CG-OD2 3.5Å; H32-D62 IonicContact ND1-OD1 2.84Å; H32-D62 PolarHBondContact ND1-OD1 3.35Å; H32-D62 IonicContact ND1-OD2 2.77Å; H32-D62 PolarHBondContact ND1-OD2 2.9Å; D62-T64 VanDerWaalsContact C-N 3.26Å; D62-T64 PolarHBondContact O-N 2.87Å; D62-T64 WeakPolarHBondContact OD1-CA 3.36Å; D62-T64 WeakPolarHBondContact OD1-CB 3.24Å; D62-T64 PolarHBondContact OD1-N 2.75Å; D62-T64 PolarHBondContact OD1-OG1 3.03Å; D62-Q65 HydrophobicContact CB-CB 3.96Å; D62-Q65 PolarHBondContact O-N 2.63Å; D62-Q65 PolarHBondContact OD1-N 2.73Å; D62-V66 PolarHBondContact O-N 3.11Å
63I96.2Very high95.7Very high18 Ų1855.9 Ų55.99%0.09228%0.281CS..THydrogen-bonded Turntrans-72.8-14.6-174.659.3172.6000113.9F30 H32 P67 N70 L75F30-I63 HydrophobicContact CB-CG2 3.74Å; F30-I63 HydrophobicContact CD1-CG2 4.24Å; F30-I63 HydrophobicContact CG-CG2 4.48Å; H32-I63 WeakPolarHBondContact NE2-CG1 3.21Å; I63-P67 WeakPolarHBondContact O-CA 3.48Å; I63-N70 PolarHBondContact O-ND2 3.12Å; I63-L75 HydrophobicContact CG2-CB 4.45Å; I63-L75 HydrophobicContact CG2-CD1 3.87Å
64T95.1Very high95.7Very high104 Ų10457.6 Ų57.664%0.63829%0.29SS*.THydrogen-bonded Turntrans-86.7-34.5170.557.80000111.5H32 D62H32-T64 WeakPolarHBondContact CE1-CG2 3.45Å; H32-T64 PolarHBondContact CE1-OG1 3.12Å; D62-T64 VanDerWaalsContact C-N 3.26Å; D62-T64 PolarHBondContact O-N 2.87Å; D62-T64 WeakPolarHBondContact OD1-CA 3.36Å; D62-T64 WeakPolarHBondContact OD1-CB 3.24Å; D62-T64 PolarHBondContact OD1-N 2.75Å; D62-T64 PolarHBondContact OD1-OG1 3.03Å
65Q95.2Very high95.7Very high109 Ų10951.9 Ų51.951%0.50926%0.259SS..THydrogen-bonded Turntrans-72.8-39.2174.8-171.5178.921.600112.1D62 P67D62-Q65 HydrophobicContact CB-CB 3.96Å; D62-Q65 PolarHBondContact O-N 2.63Å; D62-Q65 PolarHBondContact OD1-N 2.73Å; Q65-P67 WeakPolarHBondContact O-CD 3.13Å
66V96.5Very high95.5Very high1 Ų158.2 Ų58.21%0.00628%0.283CS..  trans-123.875.1-176.9-168.50000110T9 V14 V61 D62 D68 F69T9-V66 WeakPolarHBondContact O-CG2 3.17Å; V14-V66 HydrophobicContact CG2-CG1 4.4Å; V61-V66 HydrophobicContact CG1-CB 3.83Å; V61-V66 HydrophobicContact CG1-CG1 4.37Å; V61-V66 HydrophobicContact CG1-CG2 4.21Å; D62-V66 PolarHBondContact O-N 3.11Å; V66-D68 VanDerWaalsContact C-N 3.26Å; V66-D68 PolarHBondContact O-N 3.35Å; V66-F69 HydrophobicContact CG1-CD2 4.32Å; V66-F69 HydrophobicContact CG1-CE2 4.26Å
67P96.2Very high95.2Very high71 Ų7160.7 Ų60.746%0.46130%0.296SS..G310 helixtrans-79.2-5.8-173.933.4-37000114.1I63 Q65 F69 N70I63-P67 WeakPolarHBondContact O-CA 3.48Å; Q65-P67 WeakPolarHBondContact O-CD 3.13Å; P67-F69 PolarHBondContact O-N 2.78Å; P67-F69 VanDerWaalsContact O-N 3.09Å; P67-N70 WeakPolarHBondContact O-CB 3.03Å; P67-N70 PolarHBondContact O-N 2.82Å
68D95.8Very high95Very high109 Ų10962 Ų6258%0.58331%0.307SS*.G310 helixtrans-52.6-34.7-172.3-57.1-100.6000113.2V66V66-D68 VanDerWaalsContact C-N 3.26Å; V66-D68 PolarHBondContact O-N 3.35Å
69F94.8Very high94.8Very high10 Ų1061.4 Ų61.44%0.04430%0.304CS..G310 helixtrans-97.6-6.4-176.5-54.8-80.3000114.3V14 D15 V66 P67 K71 M72 Y73 L75V14-F69 HydrophobicContact CB-CD2 4.37Å; V14-F69 HydrophobicContact CB-CE2 3.46Å; V14-F69 VanDerWaalsContact CB-CE2 3.46Å; V14-F69 HydrophobicContact CB-CZ 3.74Å; V14-F69 HydrophobicContact CG1-CD2 4.1Å; V14-F69 HydrophobicContact CG1-CE1 4.33Å; V14-F69 HydrophobicContact CG1-CE2 3.5Å; V14-F69 HydrophobicContact CG1-CZ 3.65Å; V14-F69 HydrophobicContact CG2-CD2 4.46Å; V14-F69 HydrophobicContact CG2-CE2 3.83Å; D15-F69 WeakPolarHBondContact OD1-CZ 3.36Å; V66-F69 HydrophobicContact CG1-CD2 4.32Å; V66-F69 HydrophobicContact CG1-CE2 4.26Å; P67-F69 PolarHBondContact O-N 2.78Å; P67-F69 VanDerWaalsContact O-N 3.09Å; F69-K71 VanDerWaalsContact C-N 3.32Å; F69-K71 PolarHBondContact O-N 2.96Å; F69-M72 HydrophobicContact CD1-SD 4.4Å; F69-M72 PolarHBondContact O-N 2.69Å; F69-M72 VanDerWaalsContact O-N 3.15Å; F69-Y73 HydrophobicContact CB-CD2 3.67Å; F69-Y73 HydrophobicContact CB-CE2 3.95Å; F69-Y73 HydrophobicContact CD1-CD2 4.37Å; F69-Y73 AromaticContact CD1-CE2 3.78Å; F69-Y73 HydrophobicContact CD1-CE2 3.78Å; F69-Y73 HydrophobicContact CG-CD2 4.31Å; F69-Y73 HydrophobicContact CG-CE2 4.08Å; F69-Y73 PolarHBondContact O-N 3.17Å; F69-L75 HydrophobicContact CB-CD1 4.48Å
70N94.6Very high94.8Very high36 Ų3659.6 Ų59.619%0.19330%0.297CS..THydrogen-bonded Turntrans-59.8-42.6-170.9-67.60.8000112.4I63 P67 E74 L75I63-N70 PolarHBondContact O-ND2 3.12Å; P67-N70 WeakPolarHBondContact O-CB 3.03Å; P67-N70 PolarHBondContact O-N 2.82Å; N70-E74 CarbonylContact O-C 3.53Å; N70-E74 VanDerWaalsContact O-CA 3.31Å; N70-E74 WeakPolarHBondContact O-CA 3.37Å; N70-E74 PolarHBondContact O-N 3.32Å; N70-L75 HydrophobicContact CB-CB 4.44Å; N70-L75 PolarHBondContact O-N 3.43Å
71K94.9Very high94.9Very high184 Ų18459.3 Ų59.380%0.830%0.295SS*.THydrogen-bonded Turntrans-73.5-43.2176.2-67.7-177.1-178.7177.20111.9F69 Y73 E74F69-K71 VanDerWaalsContact C-N 3.32Å; F69-K71 PolarHBondContact O-N 2.96Å; K71-Y73 VanDerWaalsContact C-N 3.34Å; K71-Y73 PolarHBondContact O-N 2.72Å; K71-E74 PolarHBondContact O-N 3.26Å
72M93.2Very high94.9Very high130 Ų13059.4 Ų59.464%0.6430%0.296SS*.THydrogen-bonded Turntrans-62.4-43.1-175.8-177-175.6-64.600111.7F69F69-M72 HydrophobicContact CD1-SD 4.4Å; F69-M72 PolarHBondContact O-N 2.69Å; F69-M72 VanDerWaalsContact O-N 3.15Å
73Y94.4Very high95Very high41 Ų4158.4 Ų58.416%0.16129%0.29CS..THydrogen-bonded Turntrans-99.87.1179.8-63.3-36.8000113.2F30 F69 K71 L75 M82 F84 K101F30-Y73 HydrophobicContact CE2-CD2 4.3Å; F30-Y73 HydrophobicContact CZ-CD2 4.09Å; F30-Y73 HydrophobicContact CZ-CE2 4.19Å; F69-Y73 HydrophobicContact CB-CD2 3.67Å; F69-Y73 HydrophobicContact CB-CE2 3.95Å; F69-Y73 HydrophobicContact CD1-CD2 4.37Å; F69-Y73 AromaticContact CD1-CE2 3.78Å; F69-Y73 HydrophobicContact CD1-CE2 3.78Å; F69-Y73 HydrophobicContact CG-CD2 4.31Å; F69-Y73 HydrophobicContact CG-CE2 4.08Å; F69-Y73 PolarHBondContact O-N 3.17Å; K71-Y73 VanDerWaalsContact C-N 3.34Å; K71-Y73 PolarHBondContact O-N 2.72Å; Y73-L75 VanDerWaalsContact C-N 3.33Å; Y73-L75 PolarHBondContact O-N 3.16Å; Y73-M82 HydrophobicContact CD1-CE 3.55Å; Y73-M82 HydrophobicContact CD1-SD 4.16Å; Y73-M82 HydrophobicContact CD2-CE 4.25Å; Y73-M82 HydrophobicContact CD2-SD 3.86Å; Y73-M82 HydrophobicContact CE1-CE 3.95Å; Y73-M82 HydrophobicContact CG-CE 3.73Å; Y73-M82 HydrophobicContact CG-SD 3.68Å; Y73-F84 HydrophobicContact CE1-CE1 4.45Å; Y73-F84 HydrophobicContact CE1-CZ 4.42Å; Y73-F84 AromaticContact CE2-CZ 3.97Å; Y73-F84 HydrophobicContact CE2-CZ 3.97Å; Y73-F84 AromaticContact CZ-CE1 3.88Å; Y73-F84 AromaticContact CZ-CZ 3.75Å; Y73-F84 VanDerWaalsContact OH-CE1 3.31Å; Y73-F84 WeakPolarHBondContact OH-CE1 3.4Å; Y73-K101 WeakPolarHBondContact O-CE 3.46Å; Y73-K101 PolarHBondContact O-NZ 2.82Å
74E94.2Very high95.1Very high112 Ų11257.7 Ų57.752%0.52329%0.286SS..THydrogen-bonded Turntrans53.148.1179.3-61.9-176-102.600112.4N70 K71 Y76 K101N70-E74 CarbonylContact O-C 3.53Å; N70-E74 VanDerWaalsContact O-CA 3.31Å; N70-E74 WeakPolarHBondContact O-CA 3.37Å; N70-E74 PolarHBondContact O-N 3.32Å; K71-E74 PolarHBondContact O-N 3.26Å; E74-Y76 VanDerWaalsContact C-N 3.29Å; E74-Y76 HydrophobicContact CB-CD2 4.1Å; E74-Y76 HydrophobicContact CB-CE2 3.53Å; E74-Y76 HydrophobicContact CG-CE2 4.05Å; E74-Y76 WeakPolarHBondContact O-CD2 3.42Å; E74-Y76 PolarHBondContact O-N 3.42Å; E74-K101 VanDerWaalsContact C-NZ 3.31Å; E74-K101 PolarHBondContact O-NZ 2.94Å
75L93.9Very high95.2Very high9 Ų953.2 Ų53.25%0.04726%0.258CS..  trans-78.274.2-176.1-55.2178.4000110.8F30 I63 F69 N70 Y73 T80 M82F30-L75 HydrophobicContact CB-CD1 3.85Å; F30-L75 HydrophobicContact CB-CD2 4.05Å; F30-L75 HydrophobicContact CD1-CD1 3.53Å; F30-L75 HydrophobicContact CD2-CD1 4.29Å; F30-L75 HydrophobicContact CD2-CD2 4.15Å; F30-L75 HydrophobicContact CE1-CD1 4.11Å; F30-L75 HydrophobicContact CG-CD1 3.64Å; F30-L75 HydrophobicContact CG-CD2 4.1Å; I63-L75 HydrophobicContact CG2-CB 4.45Å; I63-L75 HydrophobicContact CG2-CD1 3.87Å; F69-L75 HydrophobicContact CB-CD1 4.48Å; N70-L75 HydrophobicContact CB-CB 4.44Å; N70-L75 PolarHBondContact O-N 3.43Å; Y73-L75 VanDerWaalsContact C-N 3.33Å; Y73-L75 PolarHBondContact O-N 3.16Å; L75-T80 HydrophobicContact CD2-CG2 3.48Å; L75-T80 VanDerWaalsContact CD2-CG2 3.48Å; L75-M82 HydrophobicContact CD2-SD 4.41Å
76Y91Very high95.2Very high170 Ų17054.4 Ų54.467%0.66726%0.257SS*.  trans-99.7-23.8178.1-49.6-56.3000113.2E74E74-Y76 VanDerWaalsContact C-N 3.29Å; E74-Y76 HydrophobicContact CB-CD2 4.1Å; E74-Y76 HydrophobicContact CB-CE2 3.53Å; E74-Y76 HydrophobicContact CG-CE2 4.05Å; E74-Y76 WeakPolarHBondContact O-CD2 3.42Å; E74-Y76 PolarHBondContact O-N 3.42Å
77D91.6Very high95.1Very high53 Ų5358.9 Ų58.928%0.28328%0.281SS..SBendtrans-80.3147.7-179.3-60.4-69000111.5C79 N103D77-C79 VanDerWaalsContact C-N 3.26Å; D77-C79 PolarHBondContact O-N 3.41Å; D77-N103 HydrophobicContact CB-CB 3.89Å; D77-N103 PolarHBondContact OD1-ND2 3.01Å; D77-N103 VanDerWaalsContact OD2-CB 3.26Å; D77-N103 WeakPolarHBondContact OD2-CB 3.43Å; D77-N103 PolarHBondContact OD2-ND2 2.84Å
78P91.8Very high95.1Very high62 Ų6262.5 Ų62.540%0.40329%0.29SS..SBendtrans-59.2-32.5-177.8-24.632.5000115.1G31 D35 C38G31-P78 VanDerWaalsContact CA-O 3.3Å; G31-P78 WeakPolarHBondContact CA-O 3.36Å; D35-P78 WeakPolarHBondContact OD1-CB 3.15Å; C38-P78 PolarHBondContact SG-O 2.58Å
79C93.7Very high95.1Very high2 Ų259.8 Ų59.81%0.01427%0.274CS..EExtended strand (participates in β ladder)trans-133.4121177.31770000108.9C38 D77 N103C38-C79 VanDerWaalsContact SG-CB 3.59Å; D77-C79 VanDerWaalsContact C-N 3.26Å; D77-C79 PolarHBondContact O-N 3.41Å; C79-N103 CarbonylContact O-C 3.37Å; C79-N103 VanDerWaalsContact O-CA 3.28Å; C79-N103 WeakPolarHBondContact O-CA 3.38Å
80T97Very high95.3Very high1 Ų159.6 Ų59.61%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-128.4127.4176.5-750000109.5R29 F30 L75 M82 K101 I102R29-T80 CarbonylContact C-O 3.6Å; R29-T80 WeakPolarHBondContact CA-O 3.38Å; F30-T80 HydrophobicContact CD2-CG2 4.4Å; F30-T80 PolarHBondContact N-O 2.78Å; F30-T80 PolarHBondContact O-N 2.84Å; L75-T80 HydrophobicContact CD2-CG2 3.48Å; L75-T80 VanDerWaalsContact CD2-CG2 3.48Å; T80-M82 HydrophobicContact CG2-CG 3.88Å; T80-M82 HydrophobicContact CG2-SD 4.24Å; T80-K101 HydrophobicContact CG2-CB 3.81Å; T80-K101 HydrophobicContact CG2-CD 3.75Å; T80-K101 HydrophobicContact CG2-CG 4.37Å; T80-I102 CarbonylContact C-O 3.59Å; T80-I102 WeakPolarHBondContact CA-O 3.46Å
81V97.7Very high95.4Very high0 Ų061.2 Ų61.20%028%0.28CS..EExtended strand (participates in β ladder)trans-114.9127.8175178.30000109.3I27 I28 R29 M41 F83 K101 I102 F112I27-V81 HydrophobicContact CG2-CG1 3.72Å; I28-V81 WeakPolarHBondContact O-CA 3.42Å; R29-V81 HydrophobicContact CB-CG2 4.26Å; R29-V81 HydrophobicContact CG-CG2 3.96Å; M41-V81 HydrophobicContact CE-CG2 3.93Å; M41-V81 HydrophobicContact CG-CG2 3.82Å; M41-V81 HydrophobicContact SD-CG2 4.17Å; V81-F83 HydrophobicContact CG1-CE1 4.44Å; V81-F83 HydrophobicContact CG1-CZ 4.1Å; V81-K101 WeakPolarHBondContact O-CA 3.33Å; V81-I102 HydrophobicContact CB-CB 4.28Å; V81-I102 PolarHBondContact N-O 3.23Å; V81-I102 PolarHBondContact O-N 2.82Å; V81-F112 HydrophobicContact CG1-CE2 4.29Å; V81-F112 HydrophobicContact CG1-CZ 3.98Å
82M98.2Very high95.3Very high2 Ų252.5 Ų52.51%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-126.8153.5179.6-63.7-178.373.100110.8I28 F30 Y73 L75 T80 F84 H89 K101I28-M82 PolarHBondContact N-O 2.91Å; I28-M82 PolarHBondContact O-N 3.32Å; F30-M82 HydrophobicContact CD2-CG 4.47Å; F30-M82 HydrophobicContact CD2-SD 4.29Å; F30-M82 HydrophobicContact CE2-CB 4.35Å; F30-M82 HydrophobicContact CE2-CG 4.38Å; F30-M82 HydrophobicContact CE2-SD 4Å; Y73-M82 HydrophobicContact CD1-CE 3.55Å; Y73-M82 HydrophobicContact CD1-SD 4.16Å; Y73-M82 HydrophobicContact CD2-CE 4.25Å; Y73-M82 HydrophobicContact CD2-SD 3.86Å; Y73-M82 HydrophobicContact CE1-CE 3.95Å; Y73-M82 HydrophobicContact CG-CE 3.73Å; Y73-M82 HydrophobicContact CG-SD 3.68Å; L75-M82 HydrophobicContact CD2-SD 4.41Å; T80-M82 HydrophobicContact CG2-CG 3.88Å; T80-M82 HydrophobicContact CG2-SD 4.24Å; M82-F84 HydrophobicContact CB-CE2 3.74Å; M82-F84 HydrophobicContact CB-CZ 4.12Å; M82-F84 HydrophobicContact CE-CZ 4.2Å; M82-H89 VanDerWaalsContact CE-NE2 3.29Å; M82-H89 WeakPolarHBondContact CE-NE2 3.34Å; M82-K101 HydrophobicContact CG-CB 3.94Å
83F98.3Very high95.3Very high2 Ų249 Ų491%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-118.7134-176.9-57.4-79.9000110.7V25 V26 I27 V81 H89 I90 I92 I102 F112 I115 V116 V119V25-F83 HydrophobicContact CG1-CB 4.15Å; V25-F83 HydrophobicContact CG1-CD1 3.95Å; V26-F83 CarbonylContact O-C 3.6Å; V26-F83 WeakPolarHBondContact O-CA 3.35Å; I27-F83 HydrophobicContact CD1-CE1 4.35Å; I27-F83 HydrophobicContact CG1-CD1 3.94Å; I27-F83 HydrophobicContact CG1-CE1 4.01Å; I27-F83 HydrophobicContact CG2-CD1 4.45Å; I27-F83 HydrophobicContact CG2-CE1 4.13Å; V81-F83 HydrophobicContact CG1-CE1 4.44Å; V81-F83 HydrophobicContact CG1-CZ 4.1Å; F83-H89 PolarHBondContact O-CD2 2.84Å; F83-I90 HydrophobicContact CB-CB 4.27Å; F83-I90 PolarHBondContact O-N 3.45Å; F83-I92 HydrophobicContact CD2-CG2 4.29Å; F83-I92 HydrophobicContact CE2-CG2 4.17Å; F83-I102 HydrophobicContact CE2-CD1 3.7Å; F83-I102 HydrophobicContact CE2-CG1 4.3Å; F83-I102 HydrophobicContact CZ-CD1 3.82Å; F83-F112 HydrophobicContact CE1-CZ 4.08Å; F83-F112 HydrophobicContact CZ-CE2 4.18Å; F83-F112 AromaticContact CZ-CZ 3.95Å; F83-F112 HydrophobicContact CZ-CZ 3.95Å; F83-I115 HydrophobicContact CE2-CG2 4.24Å; F83-I115 HydrophobicContact CZ-CG2 3.79Å; F83-V116 HydrophobicContact CE1-CG2 4.11Å; F83-V119 HydrophobicContact CB-CG1 3.83Å; F83-V119 HydrophobicContact CD1-CG1 4.26Å; F83-V119 HydrophobicContact CD1-CG2 4.37Å; F83-V119 HydrophobicContact CD2-CG2 4.19Å; F83-V119 HydrophobicContact CE2-CG2 4.48Å; F83-V119 HydrophobicContact CG-CG1 4.07Å; F83-V119 HydrophobicContact CG-CG2 4.13Å
84F98.3Very high95Very high3 Ų347.1 Ų47.11%0.01322%0.219CC..EExtended strand (participates in β ladder)trans-128.8149.7175.4-54.3-97.3000110.4I18 V25 V26 I28 Y73 M82 K88 H89I18-F84 HydrophobicContact CD1-CD1 3.95Å; I18-F84 HydrophobicContact CD1-CD2 4.07Å; I18-F84 HydrophobicContact CD1-CE1 3.92Å; I18-F84 HydrophobicContact CD1-CE2 4.05Å; I18-F84 HydrophobicContact CD1-CG 4.04Å; I18-F84 HydrophobicContact CD1-CZ 3.98Å; I18-F84 HydrophobicContact CG1-CB 4.27Å; I18-F84 HydrophobicContact CG1-CD1 4.25Å; I18-F84 HydrophobicContact CG1-CD2 4.07Å; I18-F84 HydrophobicContact CG1-CG 3.94Å; I18-F84 HydrophobicContact CG2-CB 4.02Å; I18-F84 HydrophobicContact CG2-CD1 4Å; I18-F84 HydrophobicContact CG2-CG 4.14Å; V25-F84 CarbonylContact C-O 3.48Å; V25-F84 WeakPolarHBondContact CA-O 3.41Å; V26-F84 HydrophobicContact CB-CB 4.21Å; V26-F84 PolarHBondContact N-O 3.35Å; V26-F84 PolarHBondContact O-N 3.38Å; I28-F84 HydrophobicContact CB-CE2 4.41Å; I28-F84 HydrophobicContact CD1-CD2 4.03Å; I28-F84 HydrophobicContact CD1-CE2 3.88Å; I28-F84 HydrophobicContact CG1-CD2 4.16Å; I28-F84 HydrophobicContact CG1-CE2 4.14Å; Y73-F84 HydrophobicContact CE1-CE1 4.45Å; Y73-F84 HydrophobicContact CE1-CZ 4.42Å; Y73-F84 AromaticContact CE2-CZ 3.97Å; Y73-F84 HydrophobicContact CE2-CZ 3.97Å; Y73-F84 AromaticContact CZ-CE1 3.88Å; Y73-F84 AromaticContact CZ-CZ 3.75Å; Y73-F84 VanDerWaalsContact OH-CE1 3.31Å; Y73-F84 WeakPolarHBondContact OH-CE1 3.4Å; M82-F84 HydrophobicContact CB-CE2 3.74Å; M82-F84 HydrophobicContact CB-CZ 4.12Å; M82-F84 HydrophobicContact CE-CZ 4.2Å; F84-K88 CarbonylContact C-O 3.54Å; F84-K88 WeakPolarHBondContact CA-O 3.28Å; F84-H89 HydrophobicContact CD1-CB 3.91Å; F84-H89 HydrophobicContact CE1-CB 3.77Å
85Y97.8Very high94.5Very high10 Ų1043.3 Ų43.34%0.03921%0.21CC..EExtended strand (participates in β ladder)trans-148.4121.8175.6-172.4-102000109D23 R24 V25 N87 K88 Y120 A123 R124D23-Y85 WeakPolarHBondContact O-CE2 3.32Å; R24-Y85 WeakPolarHBondContact O-CD2 3.47Å; V25-Y85 HydrophobicContact CG2-CD2 4.1Å; Y85-N87 PolarHBondContact O-N 3.5Å; Y85-K88 PolarHBondContact N-O 3.48Å; Y85-K88 WeakPolarHBondContact O-CB 3.3Å; Y85-K88 PolarHBondContact O-N 2.84Å; Y85-K88 VanDerWaalsContact O-N 3.13Å; Y85-Y120 HydrophobicContact CE2-CD2 4.32Å; Y85-Y120 HydrophobicContact CE2-CE2 4.37Å; Y85-A123 HydrophobicContact CD1-CB 3.66Å; Y85-A123 HydrophobicContact CD2-CB 4.33Å; Y85-A123 HydrophobicContact CE1-CB 4.4Å; Y85-A123 HydrophobicContact CG-CB 3.63Å; Y85-R124 HydrophobicContact CE1-CG 4.29Å; Y85-R124 HydrophobicContact CE2-CG 4.38Å; Y85-R124 WeakPolarHBondContact OH-CG 3.28Å
86R95.5Very high93.9Very high134 Ų13444.6 Ų44.651%0.50622%0.218SC..THydrogen-bonded Turntrans51.755.2-179.1-63178.5176.5-176.8-6.8113E22 D23 K88E22-R86 WeakPolarHBondContact O-CG 3.48Å; E22-R86 PolarHBondContact O-NE 2.87Å; D23-R86 IonicContact OD1-NH2 2.69Å; R86-K88 PolarHBondContact O-N 2.99Å
87N94.8Very high93.5Very high95 Ų9540 Ų4051%0.50822%0.222SC..THydrogen-bonded Turntrans58.923.7-178.5-165.237.5000115.3I18 L19 Y85I18-N87 PolarHBondContact O-N 2.77Å; L19-N87 HydrophobicContact CD1-CB 4Å; Y85-N87 PolarHBondContact O-N 3.5Å
88K95.3Very high93.3Very high147 Ų14739.7 Ų39.764%0.63922%0.221SC*.EExtended strand (participates in β ladder)trans-126.3133.1177.1-64.7-179.3-179.2-178.50110.4F84 Y85 R86F84-K88 CarbonylContact C-O 3.54Å; F84-K88 WeakPolarHBondContact CA-O 3.28Å; Y85-K88 PolarHBondContact N-O 3.48Å; Y85-K88 WeakPolarHBondContact O-CB 3.3Å; Y85-K88 PolarHBondContact O-N 2.84Å; Y85-K88 VanDerWaalsContact O-N 3.13Å; R86-K88 PolarHBondContact O-N 2.99Å
89H96.8Very high93.4Very high52 Ų5238.6 Ų38.624%0.24121%0.212CC..EExtended strand (participates in β ladder)trans-66.7133.3168.3175.7-134.9000110M82 F83 F84 N100M82-H89 VanDerWaalsContact CE-NE2 3.29Å; M82-H89 WeakPolarHBondContact CE-NE2 3.34Å; F83-H89 PolarHBondContact O-CD2 2.84Å; F84-H89 HydrophobicContact CD1-CB 3.91Å; F84-H89 HydrophobicContact CE1-CB 3.77Å; H89-N100 PolarHBondContact CE1-O 2.75Å; H89-N100 VanDerWaalsContact CE1-O 3.22Å; H89-N100 PolarHBondContact NE2-O 3.27Å
90I97.7Very high93.3Very high7 Ų741.8 Ų41.84%0.03623%0.228CC..EExtended strand (participates in β ladder)trans-108.9115.3178.4-51-59.9000108.3F83 V119 A123 V130F83-I90 HydrophobicContact CB-CB 4.27Å; F83-I90 PolarHBondContact O-N 3.45Å; I90-V119 HydrophobicContact CB-CG1 4.19Å; I90-V119 HydrophobicContact CG2-CG1 3.93Å; I90-A123 HydrophobicContact CD1-CB 3.83Å; I90-A123 HydrophobicContact CG1-CB 4.01Å; I90-V130 HydrophobicContact CG2-CG1 4.38Å
91M96.5Very high93.1Very high69 Ų6942 Ų4234%0.3423%0.229SC..EExtended strand (participates in β ladder)trans-76.5147.3173.6-65.8178.7-77.400110.3N99 G128 L129 V130M91-N99 CarbonylContact C-O 3.47Å; M91-N99 WeakPolarHBondContact CA-O 3.41Å; M91-N99 HydrophobicContact CB-CB 4.21Å; M91-N99 WeakPolarHBondContact CB-O 3.42Å; M91-G128 WeakPolarHBondContact CB-O 3.32Å; M91-G128 PolarHBondContact N-O 3.13Å; M91-L129 HydrophobicContact CB-CB 4.38Å; M91-L129 HydrophobicContact CB-CD1 3.52Å; M91-L129 HydrophobicContact CE-CB 4.43Å; M91-L129 CarbonylContact O-C 3.47Å; M91-L129 WeakPolarHBondContact O-CA 3.19Å; M91-V130 PolarHBondContact O-N 2.81Å
92I93.9Very high93Very high1 Ų142 Ų421%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-129.5120.4175.1-177.1162.8000110.3F83 L94 N99 I115 V119 V130F83-I92 HydrophobicContact CD2-CG2 4.29Å; F83-I92 HydrophobicContact CE2-CG2 4.17Å; I92-L94 HydrophobicContact CD1-CD2 4.18Å; I92-L94 HydrophobicContact CG1-CD2 4.18Å; I92-L94 HydrophobicContact CG1-CG 4.11Å; I92-L94 HydrophobicContact CG2-CD1 3.9Å; I92-L94 HydrophobicContact CG2-CG 4.21Å; I92-L94 PolarHBondContact O-N 2.95Å; I92-N99 PolarHBondContact N-O 2.8Å; I92-N99 WeakPolarHBondContact O-CA 3.19Å; I92-I115 HydrophobicContact CD1-CB 4.37Å; I92-I115 HydrophobicContact CD1-CG1 4.3Å; I92-I115 HydrophobicContact CD1-CG2 3.53Å; I92-V119 HydrophobicContact CD1-CG2 3.99Å; I92-V130 CarbonylContact C-O 3.58Å; I92-V130 WeakPolarHBondContact CA-O 3.4Å; I92-V130 HydrophobicContact CB-CG2 4Å; I92-V130 HydrophobicContact CD1-CG2 4.21Å; I92-V130 HydrophobicContact CG1-CG2 3.93Å
93D92.4Very high92.7Very high57 Ų5743.7 Ų43.731%0.30524%0.238SC..EExtended strand (participates in β ladder)trans-77.6112.5172.4-173-6.4000109.7G95 N99 L129 V130 V131 S132D93-G95 PolarHBondContact OD1-N 3.47Å; D93-N99 WeakPolarHBondContact CA-OD1 3.42Å; D93-L129 HydrophobicContact CB-CD1 4.35Å; D93-V130 PolarHBondContact N-O 2.87Å; D93-V131 HydrophobicContact CB-CG2 4.44Å; D93-S132 WeakPolarHBondContact O-CB 3.09Å; D93-S132 PolarHBondContact O-N 2.72Å
94L87.9Confident92.4Very high2 Ų245 Ų451%0.0124%0.243CC..  trans-108.53.8179.2-64.7155.2000111.6I92 T96 I102 W104 I115 Y136I92-L94 HydrophobicContact CD1-CD2 4.18Å; I92-L94 HydrophobicContact CG1-CD2 4.18Å; I92-L94 HydrophobicContact CG1-CG 4.11Å; I92-L94 HydrophobicContact CG2-CD1 3.9Å; I92-L94 HydrophobicContact CG2-CG 4.21Å; I92-L94 PolarHBondContact O-N 2.95Å; L94-T96 HydrophobicContact CB-CG2 4.25Å; L94-T96 PolarHBondContact O-N 3.39Å; L94-I102 HydrophobicContact CD1-CD1 4.41Å; L94-I102 HydrophobicContact CD1-CG1 3.53Å; L94-W104 HydrophobicContact CB-CH2 4Å; L94-W104 HydrophobicContact CD1-CH2 3.6Å; L94-W104 HydrophobicContact CD1-CZ2 4.11Å; L94-W104 HydrophobicContact CD1-CZ3 4.48Å; L94-W104 HydrophobicContact CG-CH2 4.29Å; L94-I115 HydrophobicContact CD2-CD1 4.34Å; L94-Y136 HydrophobicContact CB-CD2 3.93Å; L94-Y136 HydrophobicContact CD2-CD2 3.5Å; L94-Y136 VanDerWaalsContact CD2-CD2 3.5Å; L94-Y136 HydrophobicContact CD2-CE2 3.44Å; L94-Y136 VanDerWaalsContact CD2-CE2 3.44Å; L94-Y136 HydrophobicContact CG-CD2 4.33Å; L94-Y136 WeakPolarHBondContact O-CA 3.45Å; L94-Y136 VanDerWaalsContact O-CB 3.32Å; L94-Y136 WeakPolarHBondContact O-CB 3.1Å; L94-Y136 PolarHBondContact O-N 3.49Å
95G83.6Confident92.1Very high32 Ų3246.9 Ų46.933%0.3326%0.256SS..SBendtrans72.86.5-173.900000114.9D93 S137D93-G95 PolarHBondContact OD1-N 3.47Å; G95-S137 WeakPolarHBondContact O-CA 3.48Å; G95-S137 WeakPolarHBondContact O-CB 3.3Å
96T83.1Confident91.9Very high35 Ų3546.5 Ų46.522%0.21525%0.254CS..SBendtrans-90.8-9.4179.760.50000113.6L94 N98 W104 Y140L94-T96 HydrophobicContact CB-CG2 4.25Å; L94-T96 PolarHBondContact O-N 3.39Å; T96-N98 VanDerWaalsContact C-N 3.26Å; T96-N98 PolarHBondContact O-N 3.15Å; T96-N98 PolarHBondContact OG1-N 2.98Å; T96-W104 HydrophobicContact CG2-CH2 3.49Å; T96-W104 VanDerWaalsContact CG2-CH2 3.49Å; T96-W104 HydrophobicContact CG2-CZ2 4.39Å; T96-W104 HydrophobicContact CG2-CZ3 3.78Å; T96-Y140 HydrophobicContact CG2-CE2 4.09Å
97G81.8Confident91.7Very high73 Ų7343.4 Ų43.475%0.75326%0.258SS*.SBendtrans86-18.4-173.300000114.4
98N87.7Confident91.7Very high47 Ų4743.1 Ų43.125%0.25126%0.256SS..  trans-101.1101172.2-171.3-8000110.5T96 N100 K101T96-N98 VanDerWaalsContact C-N 3.26Å; T96-N98 PolarHBondContact O-N 3.15Å; T96-N98 PolarHBondContact OG1-N 2.98Å; N98-N100 PolarHBondContact OD1-N 2.95Å; N98-N100 VanDerWaalsContact OD1-N 3.11Å; N98-K101 WeakPolarHBondContact ND2-CG 3.42Å
99N92.7Very high91.6Very high40 Ų4036.9 Ų36.921%0.21423%0.233CC..  trans-90.6-8.4-178.9-60.4-13.4000113.1M91 I92 D93 L129M91-N99 CarbonylContact C-O 3.47Å; M91-N99 WeakPolarHBondContact CA-O 3.41Å; M91-N99 HydrophobicContact CB-CB 4.21Å; M91-N99 WeakPolarHBondContact CB-O 3.42Å; I92-N99 PolarHBondContact N-O 2.8Å; I92-N99 WeakPolarHBondContact O-CA 3.19Å; D93-N99 WeakPolarHBondContact CA-OD1 3.42Å; N99-L129 HydrophobicContact CB-CD1 4.18Å
100N92.9Very high91.5Very high68 Ų6838.1 Ų38.136%0.36424%0.239SC..SBendtrans-78.1-25.3-173.8-71.3-41.9000112.5H89 N98H89-N100 PolarHBondContact CE1-O 2.75Å; H89-N100 VanDerWaalsContact CE1-O 3.22Å; H89-N100 PolarHBondContact NE2-O 3.27Å; N98-N100 PolarHBondContact OD1-N 2.95Å; N98-N100 VanDerWaalsContact OD1-N 3.11Å
101K93.2Very high91.3Very high7 Ų739.1 Ų39.13%0.0324%0.244CC..  trans-159157.6-169.257.7177.472.1-176.90111.9Y73 E74 T80 V81 M82 N98 N103Y73-K101 WeakPolarHBondContact O-CE 3.46Å; Y73-K101 PolarHBondContact O-NZ 2.82Å; E74-K101 VanDerWaalsContact C-NZ 3.31Å; E74-K101 PolarHBondContact O-NZ 2.94Å; T80-K101 HydrophobicContact CG2-CB 3.81Å; T80-K101 HydrophobicContact CG2-CD 3.75Å; T80-K101 HydrophobicContact CG2-CG 4.37Å; V81-K101 WeakPolarHBondContact O-CA 3.33Å; M82-K101 HydrophobicContact CG-CB 3.94Å; N98-K101 WeakPolarHBondContact ND2-CG 3.42Å; K101-N103 HydrophobicContact CD-CB 4.3Å
102I94Very high91.2Very high0 Ų035.9 Ų35.90%023%0.228CC..BIsolated β-bridgetrans-95.9114.5161.9-59.3168.6000106.7T80 V81 F83 L94 W104 I106 F112 I115T80-I102 CarbonylContact C-O 3.59Å; T80-I102 WeakPolarHBondContact CA-O 3.46Å; V81-I102 HydrophobicContact CB-CB 4.28Å; V81-I102 PolarHBondContact N-O 3.23Å; V81-I102 PolarHBondContact O-N 2.82Å; F83-I102 HydrophobicContact CE2-CD1 3.7Å; F83-I102 HydrophobicContact CE2-CG1 4.3Å; F83-I102 HydrophobicContact CZ-CD1 3.82Å; L94-I102 HydrophobicContact CD1-CD1 4.41Å; L94-I102 HydrophobicContact CD1-CG1 3.53Å; I102-W104 HydrophobicContact CG2-CD2 4Å; I102-W104 HydrophobicContact CG2-CE3 4.33Å; I102-W104 HydrophobicContact CG2-CG 4.4Å; I102-W104 HydrophobicContact CG2-CH2 4.47Å; I102-W104 HydrophobicContact CG2-CZ2 4.15Å; I102-W104 WeakPolarHBondContact CG2-O 3.42Å; I102-I106 HydrophobicContact CD1-CD1 4.15Å; I102-I106 HydrophobicContact CG2-CD1 3.98Å; I102-I106 HydrophobicContact CG2-CG1 4.44Å; I102-F112 HydrophobicContact CD1-CE2 4.04Å; I102-I115 HydrophobicContact CD1-CD1 4.33Å; I102-I115 HydrophobicContact CD1-CG2 4.27Å
103N92.1Very high91.4Very high36 Ų3636.4 Ų36.419%0.19323%0.23CC..  trans-106.922.4-178.166.8-22.6000113.9D77 C79 K101D77-N103 HydrophobicContact CB-CB 3.89Å; D77-N103 PolarHBondContact OD1-ND2 3.01Å; D77-N103 VanDerWaalsContact OD2-CB 3.26Å; D77-N103 WeakPolarHBondContact OD2-CB 3.43Å; D77-N103 PolarHBondContact OD2-ND2 2.84Å; C79-N103 CarbonylContact O-C 3.37Å; C79-N103 VanDerWaalsContact O-CA 3.28Å; C79-N103 WeakPolarHBondContact O-CA 3.38Å; K101-N103 HydrophobicContact CD-CB 4.3Å
104W92Very high91.5Very high30 Ų3036.5 Ų36.511%0.11423%0.231CC..SBendtrans-135.9154.4173.964.986.3000110.7L94 T96 I102 Y136L94-W104 HydrophobicContact CB-CH2 4Å; L94-W104 HydrophobicContact CD1-CH2 3.6Å; L94-W104 HydrophobicContact CD1-CZ2 4.11Å; L94-W104 HydrophobicContact CD1-CZ3 4.48Å; L94-W104 HydrophobicContact CG-CH2 4.29Å; T96-W104 HydrophobicContact CG2-CH2 3.49Å; T96-W104 VanDerWaalsContact CG2-CH2 3.49Å; T96-W104 HydrophobicContact CG2-CZ2 4.39Å; T96-W104 HydrophobicContact CG2-CZ3 3.78Å; I102-W104 HydrophobicContact CG2-CD2 4Å; I102-W104 HydrophobicContact CG2-CE3 4.33Å; I102-W104 HydrophobicContact CG2-CG 4.4Å; I102-W104 HydrophobicContact CG2-CH2 4.47Å; I102-W104 HydrophobicContact CG2-CZ2 4.15Å; I102-W104 WeakPolarHBondContact CG2-O 3.42Å; W104-Y136 AromaticContact CZ2-CD1 3.98Å; W104-Y136 HydrophobicContact CZ2-CD1 3.98Å; W104-Y136 HydrophobicContact CZ2-CD2 4.32Å; W104-Y136 AromaticContact CZ2-CG 3.85Å; W104-Y136 HydrophobicContact CZ2-CG 3.85Å
105P92.6Very high91.9Very high43 Ų4336.4 Ų36.428%0.27923%0.231SC..  trans-71.3135.7175.527.6-33000111.6S37 V40S37-P105 WeakPolarHBondContact O-CB 3.36Å; V40-P105 HydrophobicContact CB-CB 3.92Å; V40-P105 HydrophobicContact CG1-CB 3.85Å
106I93.2Very high92.5Very high1 Ų134.9 Ų34.91%0.00522%0.215CC..  trans-108.3113.2169.9-64.1174000107.2M41 T44 I102 E111 F112 I115M41-I106 HydrophobicContact SD-CB 4.46Å; T44-I106 VanDerWaalsContact CB-O 3.27Å; T44-I106 WeakPolarHBondContact CB-O 3.26Å; T44-I106 WeakPolarHBondContact CG2-O 3.34Å; T44-I106 PolarHBondContact OG1-O 2.79Å; I102-I106 HydrophobicContact CD1-CD1 4.15Å; I102-I106 HydrophobicContact CG2-CD1 3.98Å; I102-I106 HydrophobicContact CG2-CG1 4.44Å; I106-E111 HydrophobicContact CG2-CB 4.3Å; I106-E111 HydrophobicContact CG2-CG 4.11Å; I106-F112 HydrophobicContact CB-CD2 4.27Å; I106-F112 HydrophobicContact CD1-CD2 3.98Å; I106-F112 HydrophobicContact CG2-CB 4.14Å; I106-F112 HydrophobicContact CG2-CD2 4.47Å; I106-I115 HydrophobicContact CD1-CD1 3.76Å
107A92.7Very high93.2Very high70 Ų7036.3 Ų36.358%0.57922%0.219SC*.  trans-86.2-22.6-177.100000113.3V40 T44 G109V40-A107 HydrophobicContact CG1-CB 3.94Å; T44-A107 WeakPolarHBondContact OG1-CA 3.49Å; T44-A107 PolarHBondContact OG1-O 2.64Å; A107-G109 PolarHBondContact O-N 3.23Å
108D93.9Very high93.9Very high88 Ų8834.7 Ų34.747%0.47119%0.194SC..  trans-83.9113.4177.9-174.4-16.1000110.1Q110 E111 F112D108-Q110 VanDerWaalsContact C-N 3.34Å; D108-Q110 PolarHBondContact O-N 2.94Å; D108-Q110 PolarHBondContact OD1-N 3.22Å; D108-E111 HydrophobicContact CB-CB 3.78Å; D108-E111 PolarHBondContact O-N 2.71Å; D108-E111 PolarHBondContact OD1-N 2.84Å; D108-F112 PolarHBondContact O-N 3.48Å; D108-F112 VanDerWaalsContact O-N 3.12Å
109G93.5Very high94.3Very high16 Ų1632.4 Ų32.417%0.16518%0.182CC..Hα-helixtrans-67.1-30.6178.800000113.9I48 A107 I113I48-G109 WeakPolarHBondContact CG2-O 2.94Å; A107-G109 PolarHBondContact O-N 3.23Å; G109-I113 WeakPolarHBondContact O-CB 3.34Å; G109-I113 WeakPolarHBondContact O-CD1 3.21Å; G109-I113 WeakPolarHBondContact O-CG1 3.1Å; G109-I113 PolarHBondContact O-N 3.34Å
110Q93.9Very high94.5Very high78 Ų7832.6 Ų32.636%0.36418%0.18SC..Hα-helixtrans-71.1-43.5176.4-172.558.949.200110.4D108 F112 I113 D114D108-Q110 VanDerWaalsContact C-N 3.34Å; D108-Q110 PolarHBondContact O-N 2.94Å; D108-Q110 PolarHBondContact OD1-N 3.22Å; Q110-F112 VanDerWaalsContact C-N 3.28Å; Q110-F112 PolarHBondContact O-N 3.34Å; Q110-I113 PolarHBondContact O-N 3.36Å; Q110-I113 VanDerWaalsContact O-N 3.15Å; Q110-D114 PolarHBondContact NE2-OD1 3.07Å; Q110-D114 PolarHBondContact O-N 3.19Å
111E93.5Very high94.7Very high29 Ų2936.6 Ų36.614%0.13619%0.19CC..Hα-helixtrans-55.2-44.5174.6179.7173.1-137.800111.5I106 D108 D114 I115 K134 Y136I106-E111 HydrophobicContact CG2-CB 4.3Å; I106-E111 HydrophobicContact CG2-CG 4.11Å; D108-E111 HydrophobicContact CB-CB 3.78Å; D108-E111 PolarHBondContact O-N 2.71Å; D108-E111 PolarHBondContact OD1-N 2.84Å; E111-D114 PolarHBondContact O-N 3.04Å; E111-I115 PolarHBondContact O-N 2.89Å; E111-K134 VanDerWaalsContact OE1-CD 3.25Å; E111-K134 WeakPolarHBondContact OE1-CD 3.42Å; E111-K134 WeakPolarHBondContact OE1-CE 3.26Å; E111-K134 IonicContact OE1-NZ 2.69Å; E111-K134 PolarHBondContact OE1-NZ 3.43Å; E111-Y136 WeakPolarHBondContact CG-OH 3.41Å; E111-Y136 WeakPolarHBondContact OE1-CE1 3.4Å; E111-Y136 PolarHBondContact OE1-OH 3.01Å
112F95.6Very high94.9Very high0 Ų036.6 Ų36.60%019%0.192CC..Hα-helixtrans-71.8-36177.9-163.6-89.9000113I27 M41 T44 L45 I48 V81 F83 I102 I106 D108 Q110 D114 I115 V116I27-F112 HydrophobicContact CD1-CE1 4.18Å; I27-F112 HydrophobicContact CG2-CZ 4.31Å; M41-F112 HydrophobicContact CE-CD1 4.5Å; M41-F112 HydrophobicContact CE-CD2 3.49Å; M41-F112 VanDerWaalsContact CE-CD2 3.49Å; M41-F112 HydrophobicContact CE-CE1 4.16Å; M41-F112 HydrophobicContact CE-CE2 3.13Å; M41-F112 HydrophobicContact CE-CG 4.16Å; M41-F112 HydrophobicContact CE-CZ 3.48Å; M41-F112 VanDerWaalsContact CE-CZ 3.48Å; T44-F112 HydrophobicContact CG2-CB 4.07Å; L45-F112 HydrophobicContact CD2-CD1 4.39Å; L45-F112 HydrophobicContact CD2-CE1 3.58Å; L45-F112 HydrophobicContact CD2-CZ 3.83Å; I48-F112 HydrophobicContact CD1-CB 4.45Å; I48-F112 HydrophobicContact CD1-CD1 3.13Å; I48-F112 HydrophobicContact CD1-CE1 3.63Å; I48-F112 HydrophobicContact CD1-CG 4.16Å; V81-F112 HydrophobicContact CG1-CE2 4.29Å; V81-F112 HydrophobicContact CG1-CZ 3.98Å; F83-F112 HydrophobicContact CE1-CZ 4.08Å; F83-F112 HydrophobicContact CZ-CE2 4.18Å; F83-F112 AromaticContact CZ-CZ 3.95Å; F83-F112 HydrophobicContact CZ-CZ 3.95Å; I102-F112 HydrophobicContact CD1-CE2 4.04Å; I106-F112 HydrophobicContact CB-CD2 4.27Å; I106-F112 HydrophobicContact CD1-CD2 3.98Å; I106-F112 HydrophobicContact CG2-CB 4.14Å; I106-F112 HydrophobicContact CG2-CD2 4.47Å; D108-F112 PolarHBondContact O-N 3.48Å; D108-F112 VanDerWaalsContact O-N 3.12Å; Q110-F112 VanDerWaalsContact C-N 3.28Å; Q110-F112 PolarHBondContact O-N 3.34Å; F112-D114 VanDerWaalsContact C-N 3.31Å; F112-D114 PolarHBondContact O-N 2.91Å; F112-I115 WeakPolarHBondContact O-CB 3.48Å; F112-I115 PolarHBondContact O-N 2.83Å; F112-V116 HydrophobicContact CD1-CG2 3.65Å; F112-V116 HydrophobicContact CE1-CG2 3.42Å; F112-V116 VanDerWaalsContact CE1-CG2 3.42Å; F112-V116 HydrophobicContact CZ-CG2 4.2Å; F112-V116 VanDerWaalsContact O-CG2 3.32Å; F112-V116 WeakPolarHBondContact O-CG2 3.04Å; F112-V116 PolarHBondContact O-N 3.41Å
113I96.8Very high95Very high12 Ų1236.9 Ų36.96%0.06220%0.195CC..Hα-helixtrans-59.7-43.6173.4-75.2165.8000111I48 R51 V52 G109 Q110 I115 V116 E117I48-I113 HydrophobicContact CB-CD1 4Å; I48-I113 HydrophobicContact CB-CG1 3.85Å; I48-I113 HydrophobicContact CG2-CD1 3.73Å; I48-I113 HydrophobicContact CG2-CG1 3.73Å; R51-I113 HydrophobicContact CB-CD1 4.12Å; R51-I113 VanDerWaalsContact NH1-CD1 3.26Å; V52-I113 HydrophobicContact CG1-CG1 3.82Å; G109-I113 WeakPolarHBondContact O-CB 3.34Å; G109-I113 WeakPolarHBondContact O-CD1 3.21Å; G109-I113 WeakPolarHBondContact O-CG1 3.1Å; G109-I113 PolarHBondContact O-N 3.34Å; Q110-I113 PolarHBondContact O-N 3.36Å; Q110-I113 VanDerWaalsContact O-N 3.15Å; I113-I115 VanDerWaalsContact C-N 3.27Å; I113-I115 PolarHBondContact O-N 3.07Å; I113-V116 PolarHBondContact O-N 3.38Å; I113-V116 VanDerWaalsContact O-N 3.17Å; I113-E117 WeakPolarHBondContact O-CB 3.3Å; I113-E117 PolarHBondContact O-N 2.85Å
114D95.8Very high95.1Very high60 Ų6042.3 Ų42.332%0.32121%0.212SC..Hα-helixtrans-63.3-36.8-180-62.9-16.1000111.2Q110 E111 F112 T118 P133Q110-D114 PolarHBondContact NE2-OD1 3.07Å; Q110-D114 PolarHBondContact O-N 3.19Å; E111-D114 PolarHBondContact O-N 3.04Å; F112-D114 VanDerWaalsContact C-N 3.31Å; F112-D114 PolarHBondContact O-N 2.91Å; D114-T118 WeakPolarHBondContact O-CB 3.37Å; D114-T118 PolarHBondContact O-N 3.48Å; D114-T118 PolarHBondContact O-OG1 3.23Å; D114-P133 HydrophobicContact CB-CG 4.05Å
115I95.8Very high95.3Very high0 Ų048.4 Ų48.40%024%0.24CC..Hα-helixtrans-60.8-53.6170.8-76.9165.4000110.8F83 I92 L94 I102 I106 E111 F112 I113 E117 T118 V119 Y136F83-I115 HydrophobicContact CE2-CG2 4.24Å; F83-I115 HydrophobicContact CZ-CG2 3.79Å; I92-I115 HydrophobicContact CD1-CB 4.37Å; I92-I115 HydrophobicContact CD1-CG1 4.3Å; I92-I115 HydrophobicContact CD1-CG2 3.53Å; L94-I115 HydrophobicContact CD2-CD1 4.34Å; I102-I115 HydrophobicContact CD1-CD1 4.33Å; I102-I115 HydrophobicContact CD1-CG2 4.27Å; I106-I115 HydrophobicContact CD1-CD1 3.76Å; E111-I115 PolarHBondContact O-N 2.89Å; F112-I115 WeakPolarHBondContact O-CB 3.48Å; F112-I115 PolarHBondContact O-N 2.83Å; I113-I115 VanDerWaalsContact C-N 3.27Å; I113-I115 PolarHBondContact O-N 3.07Å; I115-E117 VanDerWaalsContact C-N 3.3Å; I115-E117 PolarHBondContact O-N 3.29Å; I115-T118 WeakPolarHBondContact O-CB 3.24Å; I115-T118 PolarHBondContact O-N 3.16Å; I115-T118 VanDerWaalsContact O-N 3.12Å; I115-V119 HydrophobicContact CG2-CG2 4.4Å; I115-V119 WeakPolarHBondContact O-CG2 3.45Å; I115-V119 PolarHBondContact O-N 3.49Å; I115-Y136 HydrophobicContact CD1-CE2 4.3Å; I115-Y136 WeakPolarHBondContact CD1-OH 3.3Å
116V96.5Very high95.3Very high0 Ų049.7 Ų49.70%026%0.261CS..Hα-helixtrans-61.9-40.3-177179.70000110.9I27 F55 A56 F83 F112 I113 T118 V119 Y120I27-V116 HydrophobicContact CD1-CG1 3.94Å; I27-V116 HydrophobicContact CD1-CG2 3.63Å; F55-V116 HydrophobicContact CD2-CG1 4.1Å; F55-V116 HydrophobicContact CE2-CB 4.32Å; F55-V116 HydrophobicContact CE2-CG1 3.69Å; A56-V116 HydrophobicContact CB-CG1 3.47Å; A56-V116 VanDerWaalsContact CB-CG1 3.47Å; F83-V116 HydrophobicContact CE1-CG2 4.11Å; F112-V116 HydrophobicContact CD1-CG2 3.65Å; F112-V116 HydrophobicContact CE1-CG2 3.42Å; F112-V116 VanDerWaalsContact CE1-CG2 3.42Å; F112-V116 HydrophobicContact CZ-CG2 4.2Å; F112-V116 VanDerWaalsContact O-CG2 3.32Å; F112-V116 WeakPolarHBondContact O-CG2 3.04Å; F112-V116 PolarHBondContact O-N 3.41Å; I113-V116 PolarHBondContact O-N 3.38Å; I113-V116 VanDerWaalsContact O-N 3.17Å; V116-T118 VanDerWaalsContact C-N 3.34Å; V116-T118 PolarHBondContact O-N 2.74Å; V116-V119 PolarHBondContact O-N 3.16Å; V116-Y120 WeakPolarHBondContact O-CB 3.4Å; V116-Y120 PolarHBondContact O-N 3.36Å
117E96.7Very high95.3Very high65 Ų6556.9 Ų56.930%0.30429%0.288SS..Hα-helixtrans-64.2-40.2176.2-178.1170.1-164.500111.6F55 I113 I115 Y120 R121F55-E117 HydrophobicContact CE2-CB 4.31Å; I113-E117 WeakPolarHBondContact O-CB 3.3Å; I113-E117 PolarHBondContact O-N 2.85Å; I115-E117 VanDerWaalsContact C-N 3.3Å; I115-E117 PolarHBondContact O-N 3.29Å; E117-Y120 PolarHBondContact O-N 3.03Å; E117-R121 HydrophobicContact CG-CG 4.23Å; E117-R121 WeakPolarHBondContact O-CB 3.42Å; E117-R121 VanDerWaalsContact O-CG 3.26Å; E117-R121 WeakPolarHBondContact O-CG 3.43Å; E117-R121 PolarHBondContact O-N 3.21Å; E117-R121 IonicContact OE1-CZ 3.72Å; E117-R121 IonicContact OE1-NE 3.67Å; E117-R121 PolarHBondContact OE1-NE 2.68Å; E117-R121 IonicContact OE1-NH2 2.82Å; E117-R121 PolarHBondContact OE1-NH2 3.44Å
118T96.4Very high95.3Very high38 Ų3855.3 Ų55.323%0.23328%0.279CS..Hα-helixtrans-63.7-45.6176.2-62.10000111.6D114 I115 V116 G122 V130 V131D114-T118 WeakPolarHBondContact O-CB 3.37Å; D114-T118 PolarHBondContact O-N 3.48Å; D114-T118 PolarHBondContact O-OG1 3.23Å; I115-T118 WeakPolarHBondContact O-CB 3.24Å; I115-T118 PolarHBondContact O-N 3.16Å; I115-T118 VanDerWaalsContact O-N 3.12Å; V116-T118 VanDerWaalsContact C-N 3.34Å; V116-T118 PolarHBondContact O-N 2.74Å; T118-G122 PolarHBondContact O-N 3.19Å; T118-V130 HydrophobicContact CG2-CB 4.23Å; T118-V130 HydrophobicContact CG2-CG2 4.33Å; T118-V131 VanDerWaalsContact CG2-O 3.24Å; T118-V131 WeakPolarHBondContact CG2-O 3.41Å
119V97.2Very high95.4Very high0 Ų054.8 Ų54.80%028%0.276CS..Hα-helixtrans-57.2-51.4172.9171.20000110.2V25 F83 I90 I92 I115 V116 G122 A123 V130V25-V119 HydrophobicContact CG1-CG1 3.85Å; V25-V119 HydrophobicContact CG2-CG1 3.99Å; F83-V119 HydrophobicContact CB-CG1 3.83Å; F83-V119 HydrophobicContact CD1-CG1 4.26Å; F83-V119 HydrophobicContact CD1-CG2 4.37Å; F83-V119 HydrophobicContact CD2-CG2 4.19Å; F83-V119 HydrophobicContact CE2-CG2 4.48Å; F83-V119 HydrophobicContact CG-CG1 4.07Å; F83-V119 HydrophobicContact CG-CG2 4.13Å; I90-V119 HydrophobicContact CB-CG1 4.19Å; I90-V119 HydrophobicContact CG2-CG1 3.93Å; I92-V119 HydrophobicContact CD1-CG2 3.99Å; I115-V119 HydrophobicContact CG2-CG2 4.4Å; I115-V119 WeakPolarHBondContact O-CG2 3.45Å; I115-V119 PolarHBondContact O-N 3.49Å; V116-V119 PolarHBondContact O-N 3.16Å; V119-G122 PolarHBondContact O-N 3.12Å; V119-A123 WeakPolarHBondContact O-CB 3.37Å; V119-A123 PolarHBondContact O-N 3.46Å; V119-V130 HydrophobicContact CB-CG2 4.45Å; V119-V130 HydrophobicContact CG2-CG2 3.8Å
120Y97.3Very high95.5Very high44 Ų4454.3 Ų54.317%0.17327%0.269CS..Hα-helixtrans-60.3-49.8-179.2174.5-115.9000112.7D23 V25 F55 Y85 V116 E117 G122 A123 R124D23-Y120 WeakPolarHBondContact O-CE2 3.36Å; V25-Y120 HydrophobicContact CG2-CD2 4.02Å; V25-Y120 HydrophobicContact CG2-CG 4.38Å; F55-Y120 HydrophobicContact CB-CD1 3.73Å; F55-Y120 HydrophobicContact CB-CD2 3.9Å; F55-Y120 HydrophobicContact CB-CE1 3.6Å; F55-Y120 HydrophobicContact CB-CE2 3.78Å; F55-Y120 HydrophobicContact CB-CG 3.85Å; F55-Y120 HydrophobicContact CD2-CD1 4.05Å; F55-Y120 AromaticContact CD2-CG 3.99Å; F55-Y120 HydrophobicContact CD2-CG 3.99Å; F55-Y120 HydrophobicContact CG-CD1 4.1Å; F55-Y120 HydrophobicContact CG-CE1 4.32Å; F55-Y120 HydrophobicContact CG-CG 4.31Å; Y85-Y120 HydrophobicContact CE2-CD2 4.32Å; Y85-Y120 HydrophobicContact CE2-CE2 4.37Å; V116-Y120 WeakPolarHBondContact O-CB 3.4Å; V116-Y120 PolarHBondContact O-N 3.36Å; E117-Y120 PolarHBondContact O-N 3.03Å; Y120-G122 VanDerWaalsContact C-N 3.3Å; Y120-G122 PolarHBondContact O-N 3.34Å; Y120-A123 PolarHBondContact O-N 3.44Å; Y120-R124 HydrophobicContact CD2-CG 4.1Å; Y120-R124 HydrophobicContact CE2-CG 3.79Å; Y120-R124 WeakPolarHBondContact O-CB 3.48Å; Y120-R124 WeakPolarHBondContact O-CG 3.04Å; Y120-R124 PolarHBondContact O-N 3.38Å; Y120-R124 WeakPolarHBondContact OH-CD 3.15Å; Y120-R124 PolarHBondContact OH-NH1 3.08Å
121R96.7Very high95.4Very high152 Ų15255.4 Ų55.457%0.57428%0.281SS*.Hα-helixtrans-62.3-37.7179-73175.7176.7-141.82.8111.9E117 K125E117-R121 HydrophobicContact CG-CG 4.23Å; E117-R121 WeakPolarHBondContact O-CB 3.42Å; E117-R121 VanDerWaalsContact O-CG 3.26Å; E117-R121 WeakPolarHBondContact O-CG 3.43Å; E117-R121 PolarHBondContact O-N 3.21Å; E117-R121 IonicContact OE1-CZ 3.72Å; E117-R121 IonicContact OE1-NE 3.67Å; E117-R121 PolarHBondContact OE1-NE 2.68Å; E117-R121 IonicContact OE1-NH2 2.82Å; E117-R121 PolarHBondContact OE1-NH2 3.44Å; R121-K125 WeakPolarHBondContact O-CG 3.32Å
122G96.1Very high95.2Very high6 Ų654.6 Ų54.66%0.06228%0.279CS..Hα-helixtrans-72.6-48.5177.600000112.7T118 V119 Y120 R124 K125 G126 R127T118-G122 PolarHBondContact O-N 3.19Å; V119-G122 PolarHBondContact O-N 3.12Å; Y120-G122 VanDerWaalsContact C-N 3.3Å; Y120-G122 PolarHBondContact O-N 3.34Å; G122-R124 VanDerWaalsContact C-N 3.35Å; G122-R124 PolarHBondContact O-N 2.84Å; G122-K125 CarbonylContact O-C 3.57Å; G122-K125 WeakPolarHBondContact O-CA 3.41Å; G122-K125 WeakPolarHBondContact O-CB 3.25Å; G122-K125 PolarHBondContact O-N 2.95Å; G122-G126 PolarHBondContact O-N 3.46Å; G122-R127 WeakPolarHBondContact O-CB 3.28Å; G122-R127 PolarHBondContact O-N 3.12Å
123A95.9Very high94.7Very high7 Ų758.5 Ų58.56%0.05830%0.304CS..Hα-helixtrans-62.6-39.5-18000000112.1Y85 I90 V119 Y120 K125 G126Y85-A123 HydrophobicContact CD1-CB 3.66Å; Y85-A123 HydrophobicContact CD2-CB 4.33Å; Y85-A123 HydrophobicContact CE1-CB 4.4Å; Y85-A123 HydrophobicContact CG-CB 3.63Å; I90-A123 HydrophobicContact CD1-CB 3.83Å; I90-A123 HydrophobicContact CG1-CB 4.01Å; V119-A123 WeakPolarHBondContact O-CB 3.37Å; V119-A123 PolarHBondContact O-N 3.46Å; Y120-A123 PolarHBondContact O-N 3.44Å; A123-K125 PolarHBondContact O-N 2.69Å; A123-G126 WeakPolarHBondContact O-CA 3.27Å; A123-G126 PolarHBondContact O-N 3.47Å
124R95.3Very high94.2Very high149 Ų14963.3 Ų63.356%0.56233%0.325SS*.Hα-helixtrans-60.6-27172.6-82.1-166.367.31805.6114.2Y85 Y120 G122Y85-R124 HydrophobicContact CE1-CG 4.29Å; Y85-R124 HydrophobicContact CE2-CG 4.38Å; Y85-R124 WeakPolarHBondContact OH-CG 3.28Å; Y120-R124 HydrophobicContact CD2-CG 4.1Å; Y120-R124 HydrophobicContact CE2-CG 3.79Å; Y120-R124 WeakPolarHBondContact O-CB 3.48Å; Y120-R124 WeakPolarHBondContact O-CG 3.04Å; Y120-R124 PolarHBondContact O-N 3.38Å; Y120-R124 WeakPolarHBondContact OH-CD 3.15Å; Y120-R124 PolarHBondContact OH-NH1 3.08Å; G122-R124 VanDerWaalsContact C-N 3.35Å; G122-R124 PolarHBondContact O-N 2.84Å
125K95.8Very high93.4Very high158 Ų15864.8 Ų64.869%0.68733%0.332SS*.THydrogen-bonded Turntrans-86.97.9173.8-65.8174.4-177.5-179.30112.5R121 G122 A123R121-K125 WeakPolarHBondContact O-CG 3.32Å; G122-K125 CarbonylContact O-C 3.57Å; G122-K125 WeakPolarHBondContact O-CA 3.41Å; G122-K125 WeakPolarHBondContact O-CB 3.25Å; G122-K125 PolarHBondContact O-N 2.95Å; A123-K125 PolarHBondContact O-N 2.69Å
126G92.7Very high92.8Very high71 Ų7165.1 Ų65.173%0.73233%0.334SS*.THydrogen-bonded Turntrans77.915.6-179.400000114.5G122 A123G122-G126 PolarHBondContact O-N 3.46Å; A123-G126 WeakPolarHBondContact O-CA 3.27Å; A123-G126 PolarHBondContact O-N 3.47Å
127R94.1Very high91.6Very high152 Ų15267 Ų6757%0.57435%0.347SS*.  trans-82.9126.1177.5-58.8-176.9176.1-177.6-4.3110.2G122G122-R127 WeakPolarHBondContact O-CB 3.28Å; G122-R127 PolarHBondContact O-N 3.12Å
128G92.7Very high89.8Confident37 Ų3767.3 Ų67.338%0.38135%0.353SS..SBendtrans-85.3-7.5171.200000114.1M91M91-G128 WeakPolarHBondContact CB-O 3.32Å; M91-G128 PolarHBondContact N-O 3.13Å
129L95Very high87.8Confident77 Ų7771.7 Ų71.740%0.40337%0.369SS..EExtended strand (participates in β ladder)trans-134130175176.866.4000108.9M91 D93 N99M91-L129 HydrophobicContact CB-CB 4.38Å; M91-L129 HydrophobicContact CB-CD1 3.52Å; M91-L129 HydrophobicContact CE-CB 4.43Å; M91-L129 CarbonylContact O-C 3.47Å; M91-L129 WeakPolarHBondContact O-CA 3.19Å; D93-L129 HydrophobicContact CB-CD1 4.35Å; N99-L129 HydrophobicContact CB-CD1 4.18Å
130V95.2Very high85.5Confident5 Ų579 Ų793%0.0340%0.398CS..EExtended strand (participates in β ladder)trans-120.4153173.4-58.50000110.2I90 M91 I92 D93 T118 V119I90-V130 HydrophobicContact CG2-CG1 4.38Å; M91-V130 PolarHBondContact O-N 2.81Å; I92-V130 CarbonylContact C-O 3.58Å; I92-V130 WeakPolarHBondContact CA-O 3.4Å; I92-V130 HydrophobicContact CB-CG2 4Å; I92-V130 HydrophobicContact CD1-CG2 4.21Å; I92-V130 HydrophobicContact CG1-CG2 3.93Å; D93-V130 PolarHBondContact N-O 2.87Å; T118-V130 HydrophobicContact CG2-CB 4.23Å; T118-V130 HydrophobicContact CG2-CG2 4.33Å; V119-V130 HydrophobicContact CB-CG2 4.45Å; V119-V130 HydrophobicContact CG2-CG2 3.8Å
131V92.8Very high82.8Confident102 Ų10286 Ų8662%0.61842%0.424SS*.EExtended strand (participates in β ladder)trans-99.8125.3175.8-178.40000107.9D93 T118D93-V131 HydrophobicContact CB-CG2 4.44Å; T118-V131 VanDerWaalsContact CG2-O 3.24Å; T118-V131 WeakPolarHBondContact CG2-O 3.41Å
132S89.5Confident80.2Confident12 Ų1292.7 Ų92.78%0.08445%0.451CS..  trans-57.7143.7176.4170.70000111.1D93 K134 Y136D93-S132 WeakPolarHBondContact O-CB 3.09Å; D93-S132 PolarHBondContact O-N 2.72Å; S132-K134 WeakPolarHBondContact CB-O 3.21Å; S132-K134 PolarHBondContact O-N 3.09Å; S132-K134 PolarHBondContact OG-N 2.98Å; S132-K134 PolarHBondContact OG-O 2.64Å; S132-Y136 WeakPolarHBondContact OG-CE2 3.41Å
133P84.6Confident79.4Confident82 Ų8297.1 Ų97.153%0.53247%0.471SS..SBendtrans-64.2-21.1175.326.4-34.1000112.9D114D114-P133 HydrophobicContact CB-CG 4.05Å
134K85.5Confident78.5Confident112 Ų112101.8 Ų101.849%0.48749%0.493SS..SBendtrans-123.6138.9179.5-174177.7175.1-173.90110.5E111 S132 Y136E111-K134 VanDerWaalsContact OE1-CD 3.25Å; E111-K134 WeakPolarHBondContact OE1-CD 3.42Å; E111-K134 WeakPolarHBondContact OE1-CE 3.26Å; E111-K134 IonicContact OE1-NZ 2.69Å; E111-K134 PolarHBondContact OE1-NZ 3.43Å; S132-K134 WeakPolarHBondContact CB-O 3.21Å; S132-K134 PolarHBondContact O-N 3.09Å; S132-K134 PolarHBondContact OG-N 2.98Å; S132-K134 PolarHBondContact OG-O 2.64Å; K134-Y136 HydrophobicContact CB-CE2 4.17Å; K134-Y136 HydrophobicContact CD-CE1 4.42Å; K134-Y136 VanDerWaalsContact O-CD2 3.28Å; K134-Y136 WeakPolarHBondContact O-CD2 3.43Å; K134-Y136 VanDerWaalsContact O-CE2 3.32Å; K134-Y136 WeakPolarHBondContact O-CE2 3.49Å
135D79.2Confident77.6Confident91 Ų9199.2 Ų99.249%0.48749%0.489SS..  trans-85.7124.3173.9-175.97.4000110.6S137D135-S137 WeakPolarHBondContact OD1-CB 3.48Å; D135-S137 PolarHBondContact OD1-N 2.83Å; D135-S137 PolarHBondContact OD1-OG 2.99Å; D135-S137 PolarHBondContact OD2-OG 2.9Å
136Y82.7Confident76.5Confident7 Ų795.7 Ų95.73%0.02748%0.477CS..  trans-101.33177.7-61.2-93.8000112.7L94 W104 E111 I115 S132 K134 T138 K139L94-Y136 HydrophobicContact CB-CD2 3.93Å; L94-Y136 HydrophobicContact CD2-CD2 3.5Å; L94-Y136 VanDerWaalsContact CD2-CD2 3.5Å; L94-Y136 HydrophobicContact CD2-CE2 3.44Å; L94-Y136 VanDerWaalsContact CD2-CE2 3.44Å; L94-Y136 HydrophobicContact CG-CD2 4.33Å; L94-Y136 WeakPolarHBondContact O-CA 3.45Å; L94-Y136 VanDerWaalsContact O-CB 3.32Å; L94-Y136 WeakPolarHBondContact O-CB 3.1Å; L94-Y136 PolarHBondContact O-N 3.49Å; W104-Y136 AromaticContact CZ2-CD1 3.98Å; W104-Y136 HydrophobicContact CZ2-CD1 3.98Å; W104-Y136 HydrophobicContact CZ2-CD2 4.32Å; W104-Y136 AromaticContact CZ2-CG 3.85Å; W104-Y136 HydrophobicContact CZ2-CG 3.85Å; E111-Y136 WeakPolarHBondContact CG-OH 3.41Å; E111-Y136 WeakPolarHBondContact OE1-CE1 3.4Å; E111-Y136 PolarHBondContact OE1-OH 3.01Å; I115-Y136 HydrophobicContact CD1-CE2 4.3Å; I115-Y136 WeakPolarHBondContact CD1-OH 3.3Å; S132-Y136 WeakPolarHBondContact OG-CE2 3.41Å; K134-Y136 HydrophobicContact CB-CE2 4.17Å; K134-Y136 HydrophobicContact CD-CE1 4.42Å; K134-Y136 VanDerWaalsContact O-CD2 3.28Å; K134-Y136 WeakPolarHBondContact O-CD2 3.43Å; K134-Y136 VanDerWaalsContact O-CE2 3.32Å; K134-Y136 WeakPolarHBondContact O-CE2 3.49Å; Y136-T138 PolarHBondContact O-N 3.22Å; Y136-T138 VanDerWaalsContact O-N 3.13Å; Y136-K139 PolarHBondContact O-N 3.48Å; Y136-K139 VanDerWaalsContact O-N 3.12Å
137S72.1Confident75.5Confident39 Ų3997.3 Ų97.327%0.27346%0.461SS..G310 helixtrans-52.1-36.5176.568.50000112.7G95 D135 K139 Y140G95-S137 WeakPolarHBondContact O-CA 3.48Å; G95-S137 WeakPolarHBondContact O-CB 3.3Å; D135-S137 WeakPolarHBondContact OD1-CB 3.48Å; D135-S137 PolarHBondContact OD1-N 2.83Å; D135-S137 PolarHBondContact OD1-OG 2.99Å; D135-S137 PolarHBondContact OD2-OG 2.9Å; S137-K139 VanDerWaalsContact C-N 3.31Å; S137-K139 PolarHBondContact O-N 3.24Å; S137-Y140 PolarHBondContact O-N 3.36Å
138T59.5Low74.3Confident72 Ų7293.6 Ų93.644%0.44245%0.454SS..G310 helixtrans-74.8-13.9-175.558.30000114.4Y136 Y140 R141Y136-T138 PolarHBondContact O-N 3.22Å; Y136-T138 VanDerWaalsContact O-N 3.13Å; T138-Y140 PolarHBondContact O-N 2.99Å; T138-R141 WeakPolarHBondContact O-CB 3.43Å; T138-R141 PolarHBondContact O-N 3.34Å
139K54.1Low73Confident131 Ų13197.6 Ų97.657%0.5746%0.459SS*.G310 helixtrans-64.5-22.6172.8-95.8-173.4174.8-179.80112.6Y136 S137Y136-K139 PolarHBondContact O-N 3.48Å; Y136-K139 VanDerWaalsContact O-N 3.12Å; S137-K139 VanDerWaalsContact C-N 3.31Å; S137-K139 PolarHBondContact O-N 3.24Å
140Y49Very low71.3Confident154 Ų15499.2 Ų99.260%0.60446%0.463SS*.G310 helixtrans-92.45.2172.8-66.8-79.4000113.7T96 S137 T138 Y142T96-Y140 HydrophobicContact CG2-CE2 4.09Å; S137-Y140 PolarHBondContact O-N 3.36Å; T138-Y140 PolarHBondContact O-N 2.99Å; Y140-Y142 PolarHBondContact O-N 3.04Å
141R40.5Very low69.3Low189 Ų189107.1 Ų107.171%0.71350%0.499SS*.  trans-82.461.2172.9-75.7-172.1175.7180-0.6111.3T138T138-R141 WeakPolarHBondContact O-CB 3.43Å; T138-R141 PolarHBondContact O-N 3.34Å
142Y42.1Very low67.2Low294 Ų294107.5 Ų107.5100%1.15349%0.488SS*.  trans-146.90156.8-65.5-71.5000110.1Y140Y140-Y142 PolarHBondContact O-N 3.04Å

Retrieved 142 of 142 residues in 549.5 ms (Link to these results)

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