A0A093HVB3_STRCA Loading...

NTF2-related export protein

Has a role in nuclear-cytoplasmic transport of proteins and mRNAs.

AlphaFold DB , UniProt , Accession A0A093HVB3, Species STRCA (Struthio camelus australis), 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
1M44.9Very low72.4Confident233 Ų233120 Ų120100%1.14862%0.624SS**  0520-74.4-167.7-80.100111.2
2V47.2Very low74.4Confident116 Ų116114 Ų11470%0.70360%0.596SS**  trans-117-7178.1-1730000111
3S55.8Low76.2Confident80 Ų80109.9 Ų109.956%0.55958%0.575SS**Hα-helixtrans-78.2-42.1-174.562.70000114.2L5 Q6 D7S3-L5 PolarHBondContact O-N 3.26Å; S3-Q6 PolarHBondContact O-N 2.93Å; S3-D7 WeakPolarHBondContact O-CB 3.49Å; S3-D7 PolarHBondContact O-N 3.34Å
4S64.4Low77.5Confident84 Ų84107.3 Ų107.359%0.58756%0.559SS**Hα-helixtrans-64.7-34.6-16960.10000115.8F8S4-F8 PolarHBondContact O-N 3.05Å; S4-F8 VanDerWaalsContact O-N 3.16Å
5L65.3Low78.8Confident140 Ų140100.2 Ų100.273%0.73352%0.522SS*.Hα-helixtrans-77.8-35.3178.4-73.5169.6000112.1S3 D7 F8 K9S3-L5 PolarHBondContact O-N 3.26Å; L5-D7 VanDerWaalsContact C-N 3.34Å; L5-F8 PolarHBondContact O-N 3.09Å; L5-K9 PolarHBondContact O-N 2.99Å; L5-K9 VanDerWaalsContact O-N 3.08Å
6Q65.9Low80Confident135 Ų13597 Ų9763%0.63151%0.51SS*.Hα-helixtrans-69.6-37.9178.2-164.5139.8-1.400110.5S3 K9 T10S3-Q6 PolarHBondContact O-N 2.93Å; Q6-K9 PolarHBondContact O-N 3.28Å; Q6-T10 PolarHBondContact O-N 3.01Å; Q6-T10 PolarHBondContact O-OG1 3.49Å
7D80.6Confident81Confident88 Ų88101.2 Ų101.247%0.47152%0.517SS..Hα-helixtrans-65.9-41.1173.6-60.7-26.4000111.7S3 L5 K9 T10 Y11S3-D7 WeakPolarHBondContact O-CB 3.49Å; S3-D7 PolarHBondContact O-N 3.34Å; L5-D7 VanDerWaalsContact C-N 3.34Å; D7-K9 PolarHBondContact O-N 3.11Å; D7-T10 WeakPolarHBondContact O-CB 3.47Å; D7-T10 PolarHBondContact O-N 3.36Å; D7-Y11 VanDerWaalsContact O-CD2 3.25Å; D7-Y11 WeakPolarHBondContact O-CD2 3.22Å; D7-Y11 PolarHBondContact O-N 2.82Å
8F90.8Very high81.9Confident119 Ų11995.8 Ų95.852%0.52249%0.49SS..Hα-helixtrans-63.9-42.3176.6-175.9-107.2000112.8S4 L5 T10 Y11 V12 P81S4-F8 PolarHBondContact O-N 3.05Å; S4-F8 VanDerWaalsContact O-N 3.16Å; L5-F8 PolarHBondContact O-N 3.09Å; F8-T10 PolarHBondContact O-N 3.16Å; F8-Y11 PolarHBondContact O-N 3.14Å; F8-Y11 VanDerWaalsContact O-N 3.11Å; F8-V12 HydrophobicContact CD1-CG2 4.14Å; F8-V12 HydrophobicContact CE1-CG2 3.68Å; F8-V12 HydrophobicContact CZ-CG2 3.93Å; F8-V12 PolarHBondContact O-N 3.5Å; F8-V12 VanDerWaalsContact O-N 3.16Å; F8-P81 HydrophobicContact CE2-CG 4.22Å; F8-P81 HydrophobicContact CZ-CG 4.35Å
9K94.1Very high82.8Confident116 Ų11690.8 Ų90.850%0.50447%0.465SS..Hα-helixtrans-58.2-37.9176.5-169.5-168.5180-52.60111.4L5 Q6 D7 Y11 V12 D13L5-K9 PolarHBondContact O-N 2.99Å; L5-K9 VanDerWaalsContact O-N 3.08Å; Q6-K9 PolarHBondContact O-N 3.28Å; D7-K9 PolarHBondContact O-N 3.11Å; K9-Y11 VanDerWaalsContact C-N 3.33Å; K9-Y11 PolarHBondContact O-N 3Å; K9-V12 PolarHBondContact O-N 3.32Å; K9-D13 IonicContact NZ-OD1 3.63Å; K9-D13 PolarHBondContact NZ-OD1 3.43Å; K9-D13 IonicContact NZ-OD2 3.75Å; K9-D13 PolarHBondContact NZ-OD2 3.31Å; K9-D13 PolarHBondContact O-N 3.22Å
10T93.8Very high83.5Confident83 Ų8392 Ų9251%0.50947%0.468SS..Hα-helixtrans-60.3-41.2176.4-60.30000112.2Q6 D7 F8 V12 D13 Q14Q6-T10 PolarHBondContact O-N 3.01Å; Q6-T10 PolarHBondContact O-OG1 3.49Å; D7-T10 WeakPolarHBondContact O-CB 3.47Å; D7-T10 PolarHBondContact O-N 3.36Å; F8-T10 PolarHBondContact O-N 3.16Å; T10-V12 VanDerWaalsContact C-N 3.35Å; T10-D13 PolarHBondContact O-N 3.27Å; T10-Q14 WeakPolarHBondContact O-CB 3.41Å; T10-Q14 PolarHBondContact O-N 2.79Å
11Y93.7Very high84.2Confident126 Ų12693.6 Ų93.649%0.49447%0.474SS..Hα-helixtrans-64.8-38.6175-65.5-62.4000112.5D7 F8 K9 Q14 A15D7-Y11 VanDerWaalsContact O-CD2 3.25Å; D7-Y11 WeakPolarHBondContact O-CD2 3.22Å; D7-Y11 PolarHBondContact O-N 2.82Å; F8-Y11 PolarHBondContact O-N 3.14Å; F8-Y11 VanDerWaalsContact O-N 3.11Å; K9-Y11 VanDerWaalsContact C-N 3.33Å; K9-Y11 PolarHBondContact O-N 3Å; Y11-Q14 PolarHBondContact O-N 3.42Å; Y11-A15 WeakPolarHBondContact O-CB 3.39Å; Y11-A15 PolarHBondContact O-N 3.25Å
12V97.1Very high86.7Confident48 Ų4882.9 Ų82.929%0.29142%0.421SS..Hα-helixtrans-64.4-48.5175.2176.60000110.8F8 K9 T10 Q14 A15 C16 P81F8-V12 HydrophobicContact CD1-CG2 4.14Å; F8-V12 HydrophobicContact CE1-CG2 3.68Å; F8-V12 HydrophobicContact CZ-CG2 3.93Å; F8-V12 PolarHBondContact O-N 3.5Å; F8-V12 VanDerWaalsContact O-N 3.16Å; K9-V12 PolarHBondContact O-N 3.32Å; T10-V12 VanDerWaalsContact C-N 3.35Å; V12-Q14 VanDerWaalsContact C-N 3.28Å; V12-Q14 PolarHBondContact O-N 3.48Å; V12-A15 WeakPolarHBondContact O-CB 3.43Å; V12-A15 PolarHBondContact O-N 2.87Å; V12-A15 VanDerWaalsContact O-N 3.13Å; V12-C16 PolarHBondContact O-N 2.88Å; V12-C16 PolarHBondContact O-SG 3.3Å; V12-C16 VanDerWaalsContact O-SG 3.38Å; V12-P81 HydrophobicContact CG2-CG 4.04Å
13D96.8Very high89.1Confident61 Ų6177.8 Ų77.833%0.32639%0.39SS..Hα-helixtrans-60.8-39179-68.5-15000111.4K9 T10 R17K9-D13 IonicContact NZ-OD1 3.63Å; K9-D13 PolarHBondContact NZ-OD1 3.43Å; K9-D13 IonicContact NZ-OD2 3.75Å; K9-D13 PolarHBondContact NZ-OD2 3.31Å; K9-D13 PolarHBondContact O-N 3.22Å; T10-D13 PolarHBondContact O-N 3.27Å; D13-R17 WeakPolarHBondContact O-CG 3.25Å; D13-R17 PolarHBondContact O-N 3.38Å
14Q94.8Very high91.1Very high73 Ų7379.5 Ų79.534%0.34139%0.393SS..Hα-helixtrans-66.8-41.8174.9-177.2178.9300111.9T10 Y11 V12 R17 A18 W128T10-Q14 WeakPolarHBondContact O-CB 3.41Å; T10-Q14 PolarHBondContact O-N 2.79Å; Y11-Q14 PolarHBondContact O-N 3.42Å; V12-Q14 VanDerWaalsContact C-N 3.28Å; V12-Q14 PolarHBondContact O-N 3.48Å; Q14-R17 PolarHBondContact O-N 2.94Å; Q14-A18 VanDerWaalsContact O-CB 3.28Å; Q14-A18 WeakPolarHBondContact O-CB 3.21Å; Q14-A18 PolarHBondContact O-N 2.94Å; Q14-W128 HydrophobicContact CG-CZ2 4.12Å
15A97.2Very high92.7Very high1 Ų179.4 Ų79.41%0.00839%0.385CS..Hα-helixtrans-60.7-45.8177.600000111.6Y11 V12 A18 A19 C79 P81 V93Y11-A15 WeakPolarHBondContact O-CB 3.39Å; Y11-A15 PolarHBondContact O-N 3.25Å; V12-A15 WeakPolarHBondContact O-CB 3.43Å; V12-A15 PolarHBondContact O-N 2.87Å; V12-A15 VanDerWaalsContact O-N 3.13Å; A15-A18 PolarHBondContact O-N 3.16Å; A15-A19 VanDerWaalsContact O-CB 3.27Å; A15-A19 WeakPolarHBondContact O-CB 3.15Å; A15-A19 PolarHBondContact O-N 3.48Å; A15-C79 VanDerWaalsContact C-SG 3.6Å; A15-P81 HydrophobicContact CB-CB 4.4Å; A15-V93 HydrophobicContact CB-CG1 3.84Å; A15-V93 HydrophobicContact CB-CG2 3.81Å
16C98.1Very high94.3Very high49 Ų4972.8 Ų72.833%0.33135%0.35SS..Hα-helixtrans-59.9-49.4177.9-64.90000112V12 A18 A19 E20 C79V12-C16 PolarHBondContact O-N 2.88Å; V12-C16 PolarHBondContact O-SG 3.3Å; V12-C16 VanDerWaalsContact O-SG 3.38Å; C16-A18 PolarHBondContact O-N 3.19Å; C16-A19 PolarHBondContact O-N 3.43Å; C16-E20 WeakPolarHBondContact O-CG 3.39Å; C16-E20 PolarHBondContact O-N 3.42Å; C16-C79 VanDerWaalsContact CA-SG 3.55Å
17R97.3Very high95.8Very high169 Ų16966.9 Ų66.964%0.63832%0.322SS*.Hα-helixtrans-60.2-46.7178.2-68.8175.9-171.1176.83.9111.8D13 Q14 A19 E21D13-R17 WeakPolarHBondContact O-CG 3.25Å; D13-R17 PolarHBondContact O-N 3.38Å; Q14-R17 PolarHBondContact O-N 2.94Å; R17-A19 VanDerWaalsContact C-N 3.34Å; R17-A19 PolarHBondContact O-N 3.42Å; R17-E21 WeakPolarHBondContact O-CB 3.44Å; R17-E21 WeakPolarHBondContact O-CG 3.49Å; R17-E21 PolarHBondContact O-N 3.48Å; R17-E21 VanDerWaalsContact O-N 3.08Å
18A96.8Very high96.7Very high3 Ų366.5 Ų66.53%0.02532%0.318CS..Hα-helixtrans-60.8-43.7178.800000111.9Q14 A15 C16 F22 W128Q14-A18 VanDerWaalsContact O-CB 3.28Å; Q14-A18 WeakPolarHBondContact O-CB 3.21Å; Q14-A18 PolarHBondContact O-N 2.94Å; A15-A18 PolarHBondContact O-N 3.16Å; C16-A18 PolarHBondContact O-N 3.19Å; A18-F22 WeakPolarHBondContact O-CB 3.42Å; A18-F22 PolarHBondContact O-N 2.9Å; A18-W128 HydrophobicContact CB-CD2 3.89Å; A18-W128 HydrophobicContact CB-CG 4.19Å; A18-W128 HydrophobicContact CB-CH2 4.34Å; A18-W128 HydrophobicContact CB-CZ2 3.63Å
19A98.3Very high97.1Very high1 Ų161.2 Ų61.21%0.00830%0.295CS..Hα-helixtrans-66.5-46.8-179.500000112.2A15 C16 R17 F22 V23 L77 C79 V95A15-A19 VanDerWaalsContact O-CB 3.27Å; A15-A19 WeakPolarHBondContact O-CB 3.15Å; A15-A19 PolarHBondContact O-N 3.48Å; C16-A19 PolarHBondContact O-N 3.43Å; R17-A19 VanDerWaalsContact C-N 3.34Å; R17-A19 PolarHBondContact O-N 3.42Å; A19-F22 PolarHBondContact O-N 3.11Å; A19-V23 WeakPolarHBondContact O-CB 3.32Å; A19-V23 VanDerWaalsContact O-CG2 3.26Å; A19-V23 WeakPolarHBondContact O-CG2 3.4Å; A19-V23 PolarHBondContact O-N 2.97Å; A19-L77 HydrophobicContact CB-CD1 4.31Å; A19-C79 HydrophobicContact CB-CB 3.57Å; A19-V95 HydrophobicContact CB-CG1 4.19Å; A19-V95 HydrophobicContact CB-CG2 3.71Å
20E97.8Very high97.3Very high115 Ų11555.7 Ų55.754%0.53727%0.271SS..Hα-helixtrans-61.2-48.1178.6-73.5174.3-167.500111.9C16 N24 L77C16-E20 WeakPolarHBondContact O-CG 3.39Å; C16-E20 PolarHBondContact O-N 3.42Å; E20-N24 PolarHBondContact O-N 3.08Å; E20-N24 PolarHBondContact O-ND2 3.49Å; E20-L77 HydrophobicContact CG-CD2 3.96Å
21E97.2Very high97.5Very high125 Ų12553.9 Ų53.958%0.58426%0.258SS*.Hα-helixtrans-63.9-46.4177-71.1177.1-17200111.4R17 N24 I25R17-E21 WeakPolarHBondContact O-CB 3.44Å; R17-E21 WeakPolarHBondContact O-CG 3.49Å; R17-E21 PolarHBondContact O-N 3.48Å; R17-E21 VanDerWaalsContact O-N 3.08Å; E21-N24 PolarHBondContact O-N 3Å; E21-I25 WeakPolarHBondContact O-CD1 3.31Å; E21-I25 VanDerWaalsContact O-CG1 3.29Å; E21-I25 WeakPolarHBondContact O-CG1 3.41Å; E21-I25 PolarHBondContact O-N 2.84Å; E21-I25 VanDerWaalsContact O-N 3.08Å
22F98.1Very high97.7Very high9 Ų955 Ų554%0.03927%0.266CS..Hα-helixtrans-60.8-47.7-179.3169.1-96.2000112.1A18 A19 N24 I25 Y26 F115 L117 I130A18-F22 WeakPolarHBondContact O-CB 3.42Å; A18-F22 PolarHBondContact O-N 2.9Å; A19-F22 PolarHBondContact O-N 3.11Å; F22-N24 VanDerWaalsContact C-N 3.32Å; F22-N24 PolarHBondContact O-N 3.29Å; F22-I25 PolarHBondContact O-N 2.88Å; F22-Y26 HydrophobicContact CE1-CD2 4.48Å; F22-Y26 HydrophobicContact CE1-CG 4.28Å; F22-Y26 HydrophobicContact CE2-CD2 4.2Å; F22-Y26 AromaticContact CZ-CD2 3.69Å; F22-Y26 HydrophobicContact CZ-CD2 3.69Å; F22-Y26 AromaticContact CZ-CG 3.91Å; F22-Y26 HydrophobicContact CZ-CG 3.91Å; F22-Y26 VanDerWaalsContact O-CB 3.27Å; F22-Y26 WeakPolarHBondContact O-CB 3.23Å; F22-Y26 PolarHBondContact O-N 2.84Å; F22-F115 HydrophobicContact CE1-CB 4.26Å; F22-F115 HydrophobicContact CE1-CD1 4.09Å; F22-F115 AromaticContact CE1-CD2 3.73Å; F22-F115 HydrophobicContact CE1-CD2 3.73Å; F22-F115 HydrophobicContact CE1-CE1 4.31Å; F22-F115 AromaticContact CE1-CE2 3.98Å; F22-F115 HydrophobicContact CE1-CE2 3.98Å; F22-F115 AromaticContact CE1-CG 3.77Å; F22-F115 HydrophobicContact CE1-CG 3.77Å; F22-F115 HydrophobicContact CE1-CZ 4.23Å; F22-F115 AromaticContact CZ-CD1 3.99Å; F22-F115 HydrophobicContact CZ-CD1 3.99Å; F22-F115 HydrophobicContact CZ-CD2 4.45Å; F22-F115 HydrophobicContact CZ-CE1 4.21Å; F22-F115 HydrophobicContact CZ-CG 4.09Å; F22-L117 HydrophobicContact CB-CD1 3.77Å; F22-L117 HydrophobicContact CD1-CD1 3.68Å; F22-L117 HydrophobicContact CD1-CD2 4.05Å; F22-L117 HydrophobicContact CD1-CG 4.41Å; F22-L117 HydrophobicContact CD2-CD1 3.95Å; F22-L117 HydrophobicContact CD2-CD2 3.79Å; F22-L117 HydrophobicContact CE1-CD1 4.29Å; F22-L117 HydrophobicContact CE1-CD2 3.83Å; F22-L117 HydrophobicContact CE2-CD2 3.56Å; F22-L117 HydrophobicContact CG-CD1 3.49Å; F22-L117 VanDerWaalsContact CG-CD1 3.49Å; F22-L117 HydrophobicContact CG-CD2 4.03Å; F22-L117 HydrophobicContact CG-CG 4.4Å; F22-L117 HydrophobicContact CZ-CD2 3.59Å; F22-I130 HydrophobicContact CE2-CD1 3.79Å; F22-I130 HydrophobicContact CE2-CG1 3.58Å; F22-I130 HydrophobicContact CZ-CD1 3.63Å; F22-I130 HydrophobicContact CZ-CG1 3.58Å
23V98.1Very high97.7Very high9 Ų958.7 Ų58.76%0.05527%0.274CS..Hα-helixtrans-61.2-43.7-177.4163.10000110.8A19 I25 Y26 Y27 V74 L77 V95 T97A19-V23 WeakPolarHBondContact O-CB 3.32Å; A19-V23 VanDerWaalsContact O-CG2 3.26Å; A19-V23 WeakPolarHBondContact O-CG2 3.4Å; A19-V23 PolarHBondContact O-N 2.97Å; V23-I25 PolarHBondContact O-N 2.95Å; V23-Y26 PolarHBondContact O-N 2.78Å; V23-Y27 HydrophobicContact CG1-CD2 3.76Å; V23-Y27 HydrophobicContact CG1-CE2 3.9Å; V23-Y27 VanDerWaalsContact O-CD2 3.26Å; V23-Y27 WeakPolarHBondContact O-CD2 3.28Å; V23-Y27 PolarHBondContact O-N 3.28Å; V23-Y27 VanDerWaalsContact O-N 3.1Å; V23-V74 HydrophobicContact CG1-CG1 4.28Å; V23-V74 HydrophobicContact CG1-CG2 4.19Å; V23-L77 HydrophobicContact CG2-CD1 3.76Å; V23-L77 HydrophobicContact CG2-CD2 4.33Å; V23-V95 HydrophobicContact CG2-CG1 3.95Å; V23-T97 HydrophobicContact CG1-CG2 4.4Å; V23-T97 HydrophobicContact CG2-CG2 3.72Å
24N97.3Very high97.6Very high116 Ų11657.5 Ų57.562%0.6227%0.265SS*.Hα-helixtrans-59.8-47.8175.4-73.5-40.7000111.5E20 E21 F22 E28E20-N24 PolarHBondContact O-N 3.08Å; E20-N24 PolarHBondContact O-ND2 3.49Å; E21-N24 PolarHBondContact O-N 3Å; F22-N24 VanDerWaalsContact C-N 3.32Å; F22-N24 PolarHBondContact O-N 3.29Å; N24-E28 WeakPolarHBondContact O-CB 3.44Å; N24-E28 PolarHBondContact O-N 2.9Å; N24-E28 VanDerWaalsContact O-N 3.16Å
25I98Very high97.6Very high81 Ų8164 Ų6442%0.41529%0.287SS..Hα-helixtrans-64.5-45.8179.6-68.1165.7000111.3E21 F22 V23 T29 L40E21-I25 WeakPolarHBondContact O-CD1 3.31Å; E21-I25 VanDerWaalsContact O-CG1 3.29Å; E21-I25 WeakPolarHBondContact O-CG1 3.41Å; E21-I25 PolarHBondContact O-N 2.84Å; E21-I25 VanDerWaalsContact O-N 3.08Å; F22-I25 PolarHBondContact O-N 2.88Å; V23-I25 PolarHBondContact O-N 2.95Å; I25-T29 WeakPolarHBondContact O-CB 3.36Å; I25-T29 PolarHBondContact O-N 3.11Å; I25-T29 PolarHBondContact O-OG1 2.89Å; I25-L40 HydrophobicContact CG2-CD1 4.16Å; I25-L40 HydrophobicContact CG2-CD2 4.11Å
26Y98.8Very high97.6Very high1 Ų166.5 Ų66.50%0.00430%0.302CS..Hα-helixtrans-62.6-56.8-174.9180-92.1000111.1F22 V23 T29 M30 L37 L40 Y41 Q113 F115 I130 D133F22-Y26 HydrophobicContact CE1-CD2 4.48Å; F22-Y26 HydrophobicContact CE1-CG 4.28Å; F22-Y26 HydrophobicContact CE2-CD2 4.2Å; F22-Y26 AromaticContact CZ-CD2 3.69Å; F22-Y26 HydrophobicContact CZ-CD2 3.69Å; F22-Y26 AromaticContact CZ-CG 3.91Å; F22-Y26 HydrophobicContact CZ-CG 3.91Å; F22-Y26 VanDerWaalsContact O-CB 3.27Å; F22-Y26 WeakPolarHBondContact O-CB 3.23Å; F22-Y26 PolarHBondContact O-N 2.84Å; V23-Y26 PolarHBondContact O-N 2.78Å; Y26-T29 PolarHBondContact O-N 3.26Å; Y26-T29 VanDerWaalsContact O-N 3.16Å; Y26-M30 WeakPolarHBondContact O-CB 3.22Å; Y26-M30 PolarHBondContact O-N 3.47Å; Y26-L37 HydrophobicContact CD2-CD1 3.96Å; Y26-L37 HydrophobicContact CE2-CD1 3.9Å; Y26-L37 HydrophobicContact CE2-CG 4.48Å; Y26-L40 HydrophobicContact CD2-CD1 4.03Å; Y26-Y41 HydrophobicContact CE2-CE2 4.06Å; Y26-Y41 VanDerWaalsContact CE2-OH 3.31Å; Y26-Y41 WeakPolarHBondContact CE2-OH 3.4Å; Y26-Y41 PolarHBondContact OH-OH 3.13Å; Y26-Q113 PolarHBondContact OH-NE2 3.16Å; Y26-Q113 VanDerWaalsContact OH-NE2 3.14Å; Y26-F115 HydrophobicContact CD1-CE1 4.29Å; Y26-F115 AromaticContact CD1-CZ 3.79Å; Y26-F115 HydrophobicContact CD1-CZ 3.79Å; Y26-F115 HydrophobicContact CD2-CE1 4.24Å; Y26-F115 HydrophobicContact CD2-CZ 4.48Å; Y26-F115 AromaticContact CE1-CE1 3.87Å; Y26-F115 HydrophobicContact CE1-CE1 3.87Å; Y26-F115 AromaticContact CE1-CZ 3.55Å; Y26-F115 HydrophobicContact CE1-CZ 3.55Å; Y26-F115 AromaticContact CE2-CE1 3.79Å; Y26-F115 HydrophobicContact CE2-CE1 3.79Å; Y26-F115 HydrophobicContact CE2-CZ 4.26Å; Y26-F115 HydrophobicContact CG-CE1 4.46Å; Y26-F115 HydrophobicContact CG-CZ 4.26Å; Y26-F115 AromaticContact CZ-CE1 3.59Å; Y26-F115 AromaticContact CZ-CZ 3.8Å; Y26-I130 HydrophobicContact CD2-CD1 3.77Å; Y26-I130 HydrophobicContact CE2-CD1 3.65Å; Y26-D133 PolarHBondContact OH-OD2 2.9Å
27Y98.6Very high97.6Very high12 Ų1264.2 Ų64.25%0.04729%0.286CS..Hα-helixtrans-70.9-34.6-175.7-69.1-69.2000112.2V23 T29 M30 D31 F72 V74 T97 F111 Q113V23-Y27 HydrophobicContact CG1-CD2 3.76Å; V23-Y27 HydrophobicContact CG1-CE2 3.9Å; V23-Y27 VanDerWaalsContact O-CD2 3.26Å; V23-Y27 WeakPolarHBondContact O-CD2 3.28Å; V23-Y27 PolarHBondContact O-N 3.28Å; V23-Y27 VanDerWaalsContact O-N 3.1Å; Y27-T29 VanDerWaalsContact C-N 3.3Å; Y27-T29 PolarHBondContact O-N 3.07Å; Y27-M30 PolarHBondContact O-N 2.82Å; Y27-D31 WeakPolarHBondContact O-CB 3.31Å; Y27-D31 PolarHBondContact O-N 3.42Å; Y27-F72 HydrophobicContact CD1-CB 3.65Å; Y27-F72 AromaticContact CD1-CD1 3.4Å; Y27-F72 HydrophobicContact CD1-CD1 3.4Å; Y27-F72 HydrophobicContact CD1-CD2 4.04Å; Y27-F72 AromaticContact CD1-CE1 3.95Å; Y27-F72 HydrophobicContact CD1-CE1 3.95Å; Y27-F72 AromaticContact CD1-CG 3.44Å; Y27-F72 HydrophobicContact CD1-CG 3.44Å; Y27-F72 VanDerWaalsContact CD1-CG 3.44Å; Y27-F72 HydrophobicContact CD1-CZ 4.47Å; Y27-F72 HydrophobicContact CE1-CB 4.37Å; Y27-F72 AromaticContact CE1-CD1 3.29Å; Y27-F72 HydrophobicContact CE1-CD1 3.29Å; Y27-F72 AromaticContact CE1-CE1 3.54Å; Y27-F72 HydrophobicContact CE1-CE1 3.54Å; Y27-F72 AromaticContact CE1-CG 3.88Å; Y27-F72 HydrophobicContact CE1-CG 3.88Å; Y27-F72 HydrophobicContact CE1-CZ 4.3Å; Y27-F72 HydrophobicContact CG-CB 4.19Å; Y27-F72 HydrophobicContact CG-CG 4.43Å; Y27-V74 HydrophobicContact CD1-CG2 4.48Å; Y27-V74 HydrophobicContact CD2-CG2 3.39Å; Y27-V74 HydrophobicContact CE1-CG2 4.47Å; Y27-V74 HydrophobicContact CE2-CG2 3.37Å; Y27-V74 HydrophobicContact CG-CG2 3.97Å; Y27-T97 HydrophobicContact CE2-CG2 4.28Å; Y27-T97 PolarHBondContact OH-OG1 3.37Å; Y27-F111 HydrophobicContact CE1-CE2 4.25Å; Y27-F111 HydrophobicContact CE1-CZ 4Å; Y27-F111 AromaticContact CZ-CZ 3.95Å; Y27-F111 VanDerWaalsContact OH-CE2 3.26Å; Y27-F111 WeakPolarHBondContact OH-CE2 3.29Å; Y27-Q113 PolarHBondContact OH-OE1 2.95Å
28E98.4Very high97.6Very high80 Ų8056.4 Ų56.437%0.37426%0.257SS..Hα-helixtrans-62.7-39.6170.9-175.6178.2-147.700111.7N24 K32 R33N24-E28 WeakPolarHBondContact O-CB 3.44Å; N24-E28 PolarHBondContact O-N 2.9Å; N24-E28 VanDerWaalsContact O-N 3.16Å; E28-K32 HydrophobicContact CG-CD 3.86Å; E28-K32 HydrophobicContact CG-CG 4.42Å; E28-K32 WeakPolarHBondContact O-CB 3.46Å; E28-K32 PolarHBondContact O-N 2.8Å; E28-K32 IonicContact OE1-NZ 2.81Å; E28-K32 PolarHBondContact OE1-NZ 2.95Å; E28-R33 IonicContact OE2-NH2 2.78Å; E28-R33 PolarHBondContact OE2-NH2 2.94Å
29T98.5Very high97.6Very high7 Ų764.8 Ų64.84%0.04329%0.289CS..Hα-helixtrans-70.6-39.4178.4-58.20000111.2I25 Y26 Y27 D31 R33 R34 V36 L37I25-T29 WeakPolarHBondContact O-CB 3.36Å; I25-T29 PolarHBondContact O-N 3.11Å; I25-T29 PolarHBondContact O-OG1 2.89Å; Y26-T29 PolarHBondContact O-N 3.26Å; Y26-T29 VanDerWaalsContact O-N 3.16Å; Y27-T29 VanDerWaalsContact C-N 3.3Å; Y27-T29 PolarHBondContact O-N 3.07Å; T29-D31 VanDerWaalsContact C-N 3.33Å; T29-D31 PolarHBondContact O-N 2.83Å; T29-R33 HydrophobicContact CG2-CB 4.07Å; T29-R33 CarbonylContact O-C 3.51Å; T29-R33 VanDerWaalsContact O-CA 3.26Å; T29-R33 WeakPolarHBondContact O-CA 3.46Å; T29-R33 PolarHBondContact O-N 2.83Å; T29-R34 PolarHBondContact O-N 3.43Å; T29-V36 HydrophobicContact CG2-CG2 3.92Å; T29-L37 HydrophobicContact CG2-CB 4.08Å; T29-L37 HydrophobicContact CG2-CD1 3.9Å
30M98.4Very high97.6Very high0 Ų066.4 Ų66.40%030%0.297CS..Hα-helixtrans-59.4-44.1175.7-179.159.1178.100111.5Y26 Y27 R34 L37 W49 F64 L67 F72 F103Y26-M30 WeakPolarHBondContact O-CB 3.22Å; Y26-M30 PolarHBondContact O-N 3.47Å; Y27-M30 PolarHBondContact O-N 2.82Å; M30-R34 PolarHBondContact O-NE 2.78Å; M30-L37 HydrophobicContact CB-CD1 4.26Å; M30-L37 HydrophobicContact CB-CD2 4.33Å; M30-L37 HydrophobicContact CG-CD2 4.48Å; M30-L37 HydrophobicContact SD-CD2 3.41Å; M30-L37 WeakPolarHBondContact SD-CD2 3.38Å; M30-W49 HydrophobicContact CE-CH2 4.45Å; M30-F64 HydrophobicContact CE-CD1 4.22Å; M30-F64 HydrophobicContact CE-CE1 4.43Å; M30-F64 HydrophobicContact SD-CD1 4.06Å; M30-F64 HydrophobicContact SD-CE1 4.28Å; M30-L67 HydrophobicContact CE-CD1 3.77Å; M30-F72 HydrophobicContact CE-CE2 4.12Å; M30-F72 HydrophobicContact CG-CD2 4.1Å; M30-F72 HydrophobicContact CG-CE2 3.6Å; M30-F72 HydrophobicContact CG-CZ 4.4Å; M30-F103 HydrophobicContact CE-CE1 4.26Å
31D98.4Very high97.6Very high46 Ų4660.9 Ų60.925%0.24627%0.271CS..Hα-helixtrans-78.7-45.6-177.4-71.8-11.1000112.9Y27 T29 S70 F72Y27-D31 WeakPolarHBondContact O-CB 3.31Å; Y27-D31 PolarHBondContact O-N 3.42Å; T29-D31 VanDerWaalsContact C-N 3.33Å; T29-D31 PolarHBondContact O-N 2.83Å; D31-S70 VanDerWaalsContact CG-O 3.24Å; D31-S70 WeakPolarHBondContact OD1-CB 3.03Å; D31-S70 PolarHBondContact OD1-OG 2.91Å; D31-F72 VanDerWaalsContact OD1-CD2 3.3Å; D31-F72 WeakPolarHBondContact OD1-CD2 3.45Å; D31-F72 PolarHBondContact OD2-N 3.42Å
32K98Very high97.6Very high148 Ų14856.7 Ų56.764%0.64325%0.252SS*.Hα-helixtrans-104.9-23.2-168.6-55.6-177.9-167.7164.80114.5E28E28-K32 HydrophobicContact CG-CD 3.86Å; E28-K32 HydrophobicContact CG-CG 4.42Å; E28-K32 WeakPolarHBondContact O-CB 3.46Å; E28-K32 PolarHBondContact O-N 2.8Å; E28-K32 IonicContact OE1-NZ 2.81Å; E28-K32 PolarHBondContact OE1-NZ 2.95Å
33R96.9Very high97.6Very high126 Ų12662.1 Ų62.148%0.47528%0.282SS..  trans-139.940.1-167.1-63.1-179.7-75.3-169.8-7.7112.7E28 T29 R35 V36E28-R33 IonicContact OE2-NH2 2.78Å; E28-R33 PolarHBondContact OE2-NH2 2.94Å; T29-R33 HydrophobicContact CG2-CB 4.07Å; T29-R33 CarbonylContact O-C 3.51Å; T29-R33 VanDerWaalsContact O-CA 3.26Å; T29-R33 WeakPolarHBondContact O-CA 3.46Å; T29-R33 PolarHBondContact O-N 2.83Å; R33-R35 PolarHBondContact O-N 3.05Å; R33-V36 HydrophobicContact CB-CG2 4.04Å; R33-V36 WeakPolarHBondContact O-CG2 3.41Å; R33-V36 PolarHBondContact O-N 2.93Å
34R95.8Very high97.4Very high37 Ų3771 Ų7114%0.1432%0.32CS..G310 helixtrans-42.4-44.7-174.7-166.88354.270.8-0.6114.7T29 M30 V36 L37 F64 L67 P68 S69T29-R34 PolarHBondContact O-N 3.43Å; M30-R34 PolarHBondContact O-NE 2.78Å; R34-V36 PolarHBondContact O-N 3.41Å; R34-L37 WeakPolarHBondContact O-CB 3.36Å; R34-L37 PolarHBondContact O-N 2.83Å; R34-F64 WeakPolarHBondContact CD-O 3.32Å; R34-F64 HydrophobicContact CG-CB 4.24Å; R34-F64 WeakPolarHBondContact CG-O 3.43Å; R34-F64 PolarHBondContact NH1-O 2.77Å; R34-L67 PolarHBondContact NH1-O 2.91Å; R34-P68 PolarHBondContact NH1-O 2.84Å; R34-P68 PolarHBondContact NH2-O 2.77Å; R34-S69 VanDerWaalsContact NH2-CA 3.29Å
35R93.8Very high97.5Very high208 Ų20865.5 Ų65.579%0.78529%0.29SS*.G310 helixtrans-57.4-21-177-66.9-176.5-179.9173.9-0.1114.8R33R33-R35 PolarHBondContact O-N 3.05Å
36V96.5Very high97.5Very high55 Ų5564.2 Ų64.233%0.33329%0.286SS..G310 helixtrans-110.52.9178.7-51.30000112.9T29 R33 R34 T38 R39T29-V36 HydrophobicContact CG2-CG2 3.92Å; R33-V36 HydrophobicContact CB-CG2 4.04Å; R33-V36 WeakPolarHBondContact O-CG2 3.41Å; R33-V36 PolarHBondContact O-N 2.93Å; R34-V36 PolarHBondContact O-N 3.41Å; V36-T38 VanDerWaalsContact C-N 3.31Å; V36-T38 PolarHBondContact O-N 2.84Å; V36-R39 VanDerWaalsContact O-CB 3.3Å; V36-R39 WeakPolarHBondContact O-CB 3.14Å; V36-R39 WeakPolarHBondContact O-CG 3.28Å; V36-R39 PolarHBondContact O-N 2.89Å; V36-R39 VanDerWaalsContact O-N 3.16Å
37L98Very high97.5Very high0 Ų064.1 Ų64.10%029%0.286CS..G310 helixtrans-59-41.4-178.3-175.968.7000112.2Y26 T29 M30 R34 R39 L40 Y41 F64Y26-L37 HydrophobicContact CD2-CD1 3.96Å; Y26-L37 HydrophobicContact CE2-CD1 3.9Å; Y26-L37 HydrophobicContact CE2-CG 4.48Å; T29-L37 HydrophobicContact CG2-CB 4.08Å; T29-L37 HydrophobicContact CG2-CD1 3.9Å; M30-L37 HydrophobicContact CB-CD1 4.26Å; M30-L37 HydrophobicContact CB-CD2 4.33Å; M30-L37 HydrophobicContact CG-CD2 4.48Å; M30-L37 HydrophobicContact SD-CD2 3.41Å; M30-L37 WeakPolarHBondContact SD-CD2 3.38Å; R34-L37 WeakPolarHBondContact O-CB 3.36Å; R34-L37 PolarHBondContact O-N 2.83Å; L37-R39 PolarHBondContact O-N 2.87Å; L37-R39 VanDerWaalsContact O-N 3.1Å; L37-L40 HydrophobicContact CD1-CD1 4.03Å; L37-L40 VanDerWaalsContact O-CB 3.29Å; L37-L40 WeakPolarHBondContact O-CB 3.48Å; L37-L40 WeakPolarHBondContact O-CG 3.17Å; L37-L40 PolarHBondContact O-N 2.83Å; L37-Y41 HydrophobicContact CG-CE2 4.36Å; L37-F64 HydrophobicContact CD2-CD1 3.63Å; L37-F64 HydrophobicContact CD2-CD2 3.96Å; L37-F64 HydrophobicContact CD2-CE1 3.71Å; L37-F64 HydrophobicContact CD2-CE2 4.02Å; L37-F64 HydrophobicContact CD2-CG 3.79Å; L37-F64 HydrophobicContact CD2-CZ 3.92Å
38T97.5Very high97.5Very high5 Ų565.9 Ų65.93%0.03130%0.298CS..G310 helixtrans-59.5-22.6179.746.70000113.7V36 L40 Y41 Q57 L60 N61 F64V36-T38 VanDerWaalsContact C-N 3.31Å; V36-T38 PolarHBondContact O-N 2.84Å; T38-L40 PolarHBondContact O-N 2.85Å; T38-Y41 WeakPolarHBondContact O-CB 3.47Å; T38-Y41 PolarHBondContact O-N 2.98Å; T38-Q57 PolarHBondContact O-NE2 3.09Å; T38-Q57 PolarHBondContact O-OE1 3.2Å; T38-L60 HydrophobicContact CG2-CB 3.92Å; T38-N61 HydrophobicContact CG2-CB 4.03Å; T38-N61 WeakPolarHBondContact CG2-OD1 3.42Å; T38-N61 PolarHBondContact OG1-OD1 3.04Å; T38-F64 HydrophobicContact CG2-CD2 3.92Å
39R96.8Very high97.5Very high180 Ų18063 Ų6368%0.67928%0.283SS*.G310 helixtrans-64.3-21.4174-60-174.8177.5-175.1-3.1113.4V36 L37 Y41 K129V36-R39 VanDerWaalsContact O-CB 3.3Å; V36-R39 WeakPolarHBondContact O-CB 3.14Å; V36-R39 WeakPolarHBondContact O-CG 3.28Å; V36-R39 PolarHBondContact O-N 2.89Å; V36-R39 VanDerWaalsContact O-N 3.16Å; L37-R39 PolarHBondContact O-N 2.87Å; L37-R39 VanDerWaalsContact O-N 3.1Å; R39-Y41 VanDerWaalsContact C-N 3.27Å; R39-K129 WeakPolarHBondContact O-CE 3.42Å; R39-K129 PolarHBondContact O-NZ 2.63Å
40L98.1Very high97.5Very high34 Ų3463.8 Ų63.818%0.17829%0.288CS..G310 helixtrans-75.9-15.8173.8-56-177.3000112.4I25 Y26 L37 T38 K129 I130I25-L40 HydrophobicContact CG2-CD1 4.16Å; I25-L40 HydrophobicContact CG2-CD2 4.11Å; Y26-L40 HydrophobicContact CD2-CD1 4.03Å; L37-L40 HydrophobicContact CD1-CD1 4.03Å; L37-L40 VanDerWaalsContact O-CB 3.29Å; L37-L40 WeakPolarHBondContact O-CB 3.48Å; L37-L40 WeakPolarHBondContact O-CG 3.17Å; L37-L40 PolarHBondContact O-N 2.83Å; T38-L40 PolarHBondContact O-N 2.85Å; L40-K129 CarbonylContact O-C 3.57Å; L40-K129 VanDerWaalsContact O-CA 3.22Å; L40-K129 WeakPolarHBondContact O-CA 3.39Å; L40-I130 HydrophobicContact CB-CD1 4.16Å; L40-I130 PolarHBondContact O-N 3.01Å
41Y98.6Very high97.4Very high0 Ų066 Ų660%031%0.31CS..EExtended strand (participates in β ladder)trans-90.2152.6178-67.3-104.2000110.9Y26 L37 T38 R39 A45 Q57 L60 F64 I130 D133Y26-Y41 HydrophobicContact CE2-CE2 4.06Å; Y26-Y41 VanDerWaalsContact CE2-OH 3.31Å; Y26-Y41 WeakPolarHBondContact CE2-OH 3.4Å; Y26-Y41 PolarHBondContact OH-OH 3.13Å; L37-Y41 HydrophobicContact CG-CE2 4.36Å; T38-Y41 WeakPolarHBondContact O-CB 3.47Å; T38-Y41 PolarHBondContact O-N 2.98Å; R39-Y41 VanDerWaalsContact C-N 3.27Å; Y41-A45 HydrophobicContact CD1-CB 3.82Å; Y41-A45 HydrophobicContact CG-CB 4.34Å; Y41-Q57 PolarHBondContact O-NE2 2.96Å; Y41-Q57 VanDerWaalsContact O-NE2 3.09Å; Y41-L60 HydrophobicContact CD1-CD1 3.81Å; Y41-L60 HydrophobicContact CD1-CD2 4.5Å; Y41-L60 HydrophobicContact CE1-CD1 4.5Å; Y41-L60 HydrophobicContact CE1-CD2 4.41Å; Y41-L60 HydrophobicContact CG-CD1 3.93Å; Y41-F64 AromaticContact CE2-CE2 3.77Å; Y41-F64 HydrophobicContact CE2-CE2 3.77Å; Y41-F64 HydrophobicContact CE2-CZ 4.08Å; Y41-F64 AromaticContact CZ-CE2 3.85Å; Y41-F64 AromaticContact CZ-CZ 3.81Å; Y41-F64 VanDerWaalsContact OH-CZ 3.29Å; Y41-F64 WeakPolarHBondContact OH-CZ 3.35Å; Y41-I130 HydrophobicContact CD1-CB 3.73Å; Y41-I130 HydrophobicContact CD1-CD1 4.03Å; Y41-I130 HydrophobicContact CD1-CG2 3.67Å; Y41-I130 HydrophobicContact CD2-CD1 3.82Å; Y41-I130 HydrophobicContact CE1-CB 4.01Å; Y41-I130 HydrophobicContact CE1-CD1 3.75Å; Y41-I130 HydrophobicContact CE1-CG2 3.62Å; Y41-I130 HydrophobicContact CE2-CD1 3.52Å; Y41-I130 HydrophobicContact CG-CB 4.08Å; Y41-I130 HydrophobicContact CG-CD1 4.06Å; Y41-I130 VanDerWaalsContact CZ-CD1 3.46Å; Y41-D133 HydrophobicContact CE1-CB 3.87Å; Y41-D133 PolarHBondContact OH-OD2 3.42Å
42L97.9Very high97.4Very high37 Ų3768.9 Ų68.919%0.19433%0.326CS..EExtended strand (participates in β ladder)trans-70.4163.1164-67.8179.5000111.1K44 A45 Q57 T118 Q120 K129 I130 A131L42-K44 PolarHBondContact O-N 3.47Å; L42-A45 HydrophobicContact CB-CB 4.26Å; L42-A45 VanDerWaalsContact O-CB 3.31Å; L42-A45 WeakPolarHBondContact O-CB 3.2Å; L42-A45 PolarHBondContact O-N 3.26Å; L42-A45 VanDerWaalsContact O-N 3.16Å; L42-Q57 PolarHBondContact O-NE2 3.34Å; L42-T118 WeakPolarHBondContact CD1-OG1 3.25Å; L42-Q120 HydrophobicContact CD2-CG 4.05Å; L42-K129 HydrophobicContact CD2-CB 3.65Å; L42-K129 HydrophobicContact CD2-CD 3.79Å; L42-K129 HydrophobicContact CD2-CG 4.34Å; L42-K129 HydrophobicContact CG-CB 3.94Å; L42-I130 PolarHBondContact N-O 3.38Å; L42-A131 HydrophobicContact CD1-CB 3.9Å
43D96.6Very high97.4Very high122 Ų12265.7 Ų65.765%0.65233%0.327SS*.EExtended strand (participates in β ladder)trans-60.8-35.9-178.5-64-11.3000112.8Q57D43-Q57 PolarHBondContact O-N 3.05Å
44K95.3Very high97.5Very high196 Ų19660.6 Ų60.685%0.85231%0.309SS*.EExtended strand (participates in β ladder)trans-104.119.3179.6-61.5-175.4178.8179.90113.1L42L42-K44 PolarHBondContact O-N 3.47Å
45A98.2Very high97.6Very high1 Ų162.2 Ų62.21%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-64.6154-179.600000111.6Y41 L42 G56 L60 I130 A131Y41-A45 HydrophobicContact CD1-CB 3.82Å; Y41-A45 HydrophobicContact CG-CB 4.34Å; L42-A45 HydrophobicContact CB-CB 4.26Å; L42-A45 VanDerWaalsContact O-CB 3.31Å; L42-A45 WeakPolarHBondContact O-CB 3.2Å; L42-A45 PolarHBondContact O-N 3.26Å; L42-A45 VanDerWaalsContact O-N 3.16Å; A45-G56 PolarHBondContact O-N 3.22Å; A45-L60 HydrophobicContact CB-CD1 4.3Å; A45-I130 VanDerWaalsContact CB-O 3.23Å; A45-I130 WeakPolarHBondContact CB-O 3.41Å; A45-A131 VanDerWaalsContact CA-O 3.31Å; A45-A131 WeakPolarHBondContact CA-O 3.39Å
46T98.6Very high97.7Very high53 Ų5353.3 Ų53.333%0.32530%0.299SS..EExtended strand (participates in β ladder)trans-122146.2175.8640000110.8V54 S55 A131 S132 D133T46-V54 WeakPolarHBondContact CA-O 3.47Å; T46-S55 WeakPolarHBondContact CG2-OG 3.24Å; T46-A131 PolarHBondContact N-O 2.67Å; T46-S132 CarbonylContact O-C 3.51Å; T46-S132 WeakPolarHBondContact O-CA 3.17Å; T46-D133 PolarHBondContact O-N 2.66Å
47L98.9Very high97.7Very high0 Ų053.1 Ų53.10%030%0.295CS..EExtended strand (participates in β ladder)trans-123133.5172.8164.865.6000108.7W49 A53 V54 L60 F63 F64 D133L47-W49 HydrophobicContact CD1-CB 4.39Å; L47-W49 HydrophobicContact CD1-CE3 4.14Å; L47-W49 HydrophobicContact CD2-CB 4.33Å; L47-W49 HydrophobicContact CD2-CE3 4.27Å; L47-W49 HydrophobicContact CG-CB 4.25Å; L47-A53 CarbonylContact O-C 3.49Å; L47-A53 WeakPolarHBondContact O-CA 3.4Å; L47-V54 HydrophobicContact CB-CB 4.24Å; L47-V54 PolarHBondContact N-O 3.39Å; L47-V54 PolarHBondContact O-N 3.05Å; L47-L60 HydrophobicContact CB-CD2 3.56Å; L47-L60 HydrophobicContact CD2-CD2 4.05Å; L47-L60 HydrophobicContact CG-CD2 4.47Å; L47-F63 HydrophobicContact CD2-CD1 3.57Å; L47-F63 HydrophobicContact CD2-CE1 3.51Å; L47-F63 HydrophobicContact CD2-CZ 4.42Å; L47-F64 HydrophobicContact CD2-CE1 4.31Å; L47-F64 HydrophobicContact CD2-CE2 4.48Å; L47-F64 HydrophobicContact CD2-CZ 3.85Å; L47-D133 CarbonylContact C-O 3.55Å; L47-D133 VanDerWaalsContact CA-O 3.28Å; L47-D133 WeakPolarHBondContact CA-O 3.4Å; L47-D133 HydrophobicContact CB-CB 4.41Å; L47-D133 HydrophobicContact CD1-CB 3.81Å; L47-D133 VanDerWaalsContact CD1-CG 3.48Å
48V98.8Very high97.7Very high48 Ų4860.2 Ų60.229%0.29133%0.328SS..EExtended strand (participates in β ladder)trans-111.7106.5165.4-179.70000108.4N52 D133 C134 F135V48-N52 CarbonylContact C-O 3.57Å; V48-N52 WeakPolarHBondContact CA-O 3.36Å; V48-D133 PolarHBondContact N-O 2.97Å; V48-C134 HydrophobicContact CB-CB 4.46Å; V48-C134 WeakPolarHBondContact O-CA 3.43Å; V48-F135 PolarHBondContact O-N 2.75Å
49W98.5Very high97.7Very high19 Ų1961.8 Ų61.87%0.07234%0.341CS..EExtended strand (participates in β ladder)trans-106.2106.6-179.2-169.9-86.1000111.1M30 L47 G51 N52 F63 L67 F103 F135M30-W49 HydrophobicContact CE-CH2 4.45Å; L47-W49 HydrophobicContact CD1-CB 4.39Å; L47-W49 HydrophobicContact CD1-CE3 4.14Å; L47-W49 HydrophobicContact CD2-CB 4.33Å; L47-W49 HydrophobicContact CD2-CE3 4.27Å; L47-W49 HydrophobicContact CG-CB 4.25Å; W49-G51 PolarHBondContact O-N 3.02Å; W49-G51 VanDerWaalsContact O-N 3.11Å; W49-N52 PolarHBondContact N-O 2.94Å; W49-N52 WeakPolarHBondContact O-CB 3.41Å; W49-N52 PolarHBondContact O-N 3.44Å; W49-N52 PolarHBondContact O-ND2 3.04Å; W49-F63 HydrophobicContact CB-CE1 4.11Å; W49-F63 HydrophobicContact CB-CE2 4.36Å; W49-F63 HydrophobicContact CB-CZ 3.61Å; W49-F63 AromaticContact CD1-CZ 3.68Å; W49-F63 AromaticContact CD2-CE1 3.9Å; W49-F63 HydrophobicContact CD2-CE1 3.9Å; W49-F63 AromaticContact CD2-CZ 3.73Å; W49-F63 HydrophobicContact CD2-CZ 3.73Å; W49-F63 AromaticContact CE3-CE1 3.97Å; W49-F63 HydrophobicContact CE3-CE1 3.97Å; W49-F63 HydrophobicContact CE3-CZ 4.28Å; W49-F63 AromaticContact CG-CE1 3.98Å; W49-F63 HydrophobicContact CG-CE1 3.98Å; W49-F63 HydrophobicContact CG-CE2 4.4Å; W49-F63 AromaticContact CG-CZ 3.4Å; W49-F63 HydrophobicContact CG-CZ 3.4Å; W49-F63 VanDerWaalsContact CG-CZ 3.4Å; W49-L67 HydrophobicContact CH2-CD1 4.07Å; W49-L67 HydrophobicContact CZ2-CD1 4.06Å; W49-L67 HydrophobicContact CZ3-CD1 4.42Å; W49-F103 AromaticContact CH2-CZ 3.89Å; W49-F103 HydrophobicContact CH2-CZ 3.89Å; W49-F103 HydrophobicContact CZ2-CE2 4.2Å; W49-F103 AromaticContact CZ2-CZ 3.7Å; W49-F103 HydrophobicContact CZ2-CZ 3.7Å; W49-F135 HydrophobicContact CD2-CB 3.99Å; W49-F135 AromaticContact CD2-CD1 3.54Å; W49-F135 HydrophobicContact CD2-CD1 3.54Å; W49-F135 HydrophobicContact CD2-CE1 4.3Å; W49-F135 AromaticContact CD2-CG 3.92Å; W49-F135 HydrophobicContact CD2-CG 3.92Å; W49-F135 AromaticContact CE2-CD1 3.44Å; W49-F135 VanDerWaalsContact CE2-CD1 3.44Å; W49-F135 AromaticContact CE2-CE1 3.72Å; W49-F135 HydrophobicContact CE3-CB 3.44Å; W49-F135 VanDerWaalsContact CE3-CB 3.44Å; W49-F135 AromaticContact CE3-CD1 3.72Å; W49-F135 HydrophobicContact CE3-CD1 3.72Å; W49-F135 HydrophobicContact CE3-CD2 4.35Å; W49-F135 AromaticContact CE3-CG 3.57Å; W49-F135 HydrophobicContact CE3-CG 3.57Å; W49-F135 HydrophobicContact CG-CD1 4.23Å; W49-F135 HydrophobicContact CH2-CB 4.43Å; W49-F135 AromaticContact CH2-CD1 3.7Å; W49-F135 HydrophobicContact CH2-CD1 3.7Å; W49-F135 AromaticContact CH2-CD2 3.81Å; W49-F135 HydrophobicContact CH2-CD2 3.81Å; W49-F135 AromaticContact CH2-CE1 3.84Å; W49-F135 HydrophobicContact CH2-CE1 3.84Å; W49-F135 AromaticContact CH2-CE2 3.93Å; W49-F135 HydrophobicContact CH2-CE2 3.93Å; W49-F135 AromaticContact CH2-CG 3.7Å; W49-F135 HydrophobicContact CH2-CG 3.7Å; W49-F135 AromaticContact CH2-CZ 3.95Å; W49-F135 HydrophobicContact CH2-CZ 3.95Å; W49-F135 AromaticContact CZ2-CD1 3.54Å; W49-F135 HydrophobicContact CZ2-CD1 3.54Å; W49-F135 HydrophobicContact CZ2-CD2 4.43Å; W49-F135 AromaticContact CZ2-CE1 3.48Å; W49-F135 HydrophobicContact CZ2-CE1 3.48Å; W49-F135 VanDerWaalsContact CZ2-CE1 3.48Å; W49-F135 HydrophobicContact CZ2-CE2 4.37Å; W49-F135 HydrophobicContact CZ2-CG 4.06Å; W49-F135 AromaticContact CZ2-CZ 3.92Å; W49-F135 HydrophobicContact CZ2-CZ 3.92Å; W49-F135 HydrophobicContact CZ3-CB 3.7Å; W49-F135 AromaticContact CZ3-CD1 3.8Å; W49-F135 HydrophobicContact CZ3-CD1 3.8Å; W49-F135 AromaticContact CZ3-CD2 3.77Å; W49-F135 HydrophobicContact CZ3-CD2 3.77Å; W49-F135 HydrophobicContact CZ3-CE1 4.4Å; W49-F135 HydrophobicContact CZ3-CE2 4.36Å; W49-F135 AromaticContact CZ3-CG 3.45Å; W49-F135 HydrophobicContact CZ3-CG 3.45Å; W49-F135 VanDerWaalsContact CZ3-CG 3.45Å
50N97.6Very high97.8Very high25 Ų2553.2 Ų53.213%0.13431%0.309CS..THydrogen-bonded Turntrans52.230.3-175.1-66.7-66.9000113.4F135 R136 F137N50-F135 PolarHBondContact N-O 3.35Å; N50-R136 WeakPolarHBondContact OD1-CA 3.24Å; N50-F137 WeakPolarHBondContact ND2-CD2 3.46Å; N50-F137 WeakPolarHBondContact ND2-CE2 3.31Å; N50-F137 WeakPolarHBondContact OD1-CD2 3.44Å; N50-F137 PolarHBondContact OD1-N 2.9Å
51G97.1Very high97.8Very high46 Ų4654.3 Ų54.347%0.47432%0.315SS..THydrogen-bonded Turntrans96.3-8-177.600000115.2W49W49-G51 PolarHBondContact O-N 3.02Å; W49-G51 VanDerWaalsContact O-N 3.11Å
52N97.8Very high97.7Very high107 Ų10759.5 Ų59.557%0.57234%0.339SS*.EExtended strand (participates in β ladder)trans-87.9122174.8-55.9-77.9000109.8V48 W49V48-N52 CarbonylContact C-O 3.57Å; V48-N52 WeakPolarHBondContact CA-O 3.36Å; W49-N52 PolarHBondContact N-O 2.94Å; W49-N52 WeakPolarHBondContact O-CB 3.41Å; W49-N52 PolarHBondContact O-N 3.44Å; W49-N52 PolarHBondContact O-ND2 3.04Å
53A98.3Very high97.7Very high81 Ų8159.3 Ų59.367%0.66934%0.337SS*.EExtended strand (participates in β ladder)trans-84.513517900000111.4L47L47-A53 CarbonylContact O-C 3.49Å; L47-A53 WeakPolarHBondContact O-CA 3.4Å
54V98.6Very high97.8Very high18 Ų1853.6 Ų53.611%0.10931%0.306CS..EExtended strand (participates in β ladder)trans-129.8135.6174.4-175.40000107T46 L47 A59 L60 F63T46-V54 WeakPolarHBondContact CA-O 3.47Å; L47-V54 HydrophobicContact CB-CB 4.24Å; L47-V54 PolarHBondContact N-O 3.39Å; L47-V54 PolarHBondContact O-N 3.05Å; V54-A59 VanDerWaalsContact CG1-C 3.47Å; V54-A59 HydrophobicContact CG1-CB 3.8Å; V54-A59 WeakPolarHBondContact CG1-O 3.31Å; V54-L60 HydrophobicContact CB-CD2 4.37Å; V54-L60 HydrophobicContact CG1-CD2 3.95Å; V54-L60 HydrophobicContact CG1-CG 4.19Å; V54-F63 HydrophobicContact CG1-CB 4.08Å; V54-F63 HydrophobicContact CG2-CB 4.31Å; V54-F63 HydrophobicContact CG2-CD2 3.87Å; V54-F63 HydrophobicContact CG2-CE2 4.4Å; V54-F63 HydrophobicContact CG2-CG 3.98Å
55S98Very high97.8Very high72 Ų7250.1 Ų50.150%0.50329%0.293SS..EExtended strand (participates in β ladder)trans-144.1133-172.2-62.90000111.7T46T46-S55 WeakPolarHBondContact CG2-OG 3.24Å
56G96.7Very high97.7Very high20 Ų2056.9 Ų56.921%0.20633%0.326CS..SBendtrans85.2156.6-178.900000113.7A45 E58 L60A45-G56 PolarHBondContact O-N 3.22Å; G56-E58 PolarHBondContact O-N 2.95Å; G56-L60 WeakPolarHBondContact O-CB 3.37Å; G56-L60 VanDerWaalsContact O-CG 3.24Å; G56-L60 WeakPolarHBondContact O-CG 3.4Å; G56-L60 PolarHBondContact O-N 2.56Å
57Q97.1Very high97.6Very high52 Ų5255.7 Ų55.724%0.24332%0.318CS..Hα-helixtrans-57.9-44-173-77.3-75.6-34.500114.1T38 Y41 L42 D43 L60 N61T38-Q57 PolarHBondContact O-NE2 3.09Å; T38-Q57 PolarHBondContact O-OE1 3.2Å; Y41-Q57 PolarHBondContact O-NE2 2.96Å; Y41-Q57 VanDerWaalsContact O-NE2 3.09Å; L42-Q57 PolarHBondContact O-NE2 3.34Å; D43-Q57 PolarHBondContact O-N 3.05Å; Q57-L60 PolarHBondContact O-N 3.23Å; Q57-N61 WeakPolarHBondContact O-CB 3.43Å; Q57-N61 PolarHBondContact O-N 3.01Å
58E96.6Very high97.6Very high149 Ų14958.3 Ų58.370%0.69634%0.335SS*.Hα-helixtrans-61.5-54.7-178.5-175.8173.9-163.200111.3G56 L60 N61 E62G56-E58 PolarHBondContact O-N 2.95Å; E58-L60 VanDerWaalsContact C-N 3.31Å; E58-L60 PolarHBondContact O-N 3.1Å; E58-N61 WeakPolarHBondContact O-CB 3.39Å; E58-N61 PolarHBondContact O-N 3.41Å; E58-E62 PolarHBondContact O-N 2.83Å
59A98Very high97.5Very high37 Ų3759.8 Ų59.831%0.30635%0.347SS..Hα-helixtrans-62.9-35.917900000112.6V54 N61 F63V54-A59 VanDerWaalsContact CG1-C 3.47Å; V54-A59 HydrophobicContact CG1-CB 3.8Å; V54-A59 WeakPolarHBondContact CG1-O 3.31Å; A59-N61 VanDerWaalsContact C-N 3.35Å; A59-F63 WeakPolarHBondContact O-CB 3.26Å; A59-F63 PolarHBondContact O-N 2.89Å
60L98.6Very high97.5Very high0 Ų059.3 Ų59.30%035%0.347CS..Hα-helixtrans-63.1-42173.1-74168.2000111.4T38 Y41 A45 L47 V54 G56 Q57 E58 F63 F64T38-L60 HydrophobicContact CG2-CB 3.92Å; Y41-L60 HydrophobicContact CD1-CD1 3.81Å; Y41-L60 HydrophobicContact CD1-CD2 4.5Å; Y41-L60 HydrophobicContact CE1-CD1 4.5Å; Y41-L60 HydrophobicContact CE1-CD2 4.41Å; Y41-L60 HydrophobicContact CG-CD1 3.93Å; A45-L60 HydrophobicContact CB-CD1 4.3Å; L47-L60 HydrophobicContact CB-CD2 3.56Å; L47-L60 HydrophobicContact CD2-CD2 4.05Å; L47-L60 HydrophobicContact CG-CD2 4.47Å; V54-L60 HydrophobicContact CB-CD2 4.37Å; V54-L60 HydrophobicContact CG1-CD2 3.95Å; V54-L60 HydrophobicContact CG1-CG 4.19Å; G56-L60 WeakPolarHBondContact O-CB 3.37Å; G56-L60 VanDerWaalsContact O-CG 3.24Å; G56-L60 WeakPolarHBondContact O-CG 3.4Å; G56-L60 PolarHBondContact O-N 2.56Å; Q57-L60 PolarHBondContact O-N 3.23Å; E58-L60 VanDerWaalsContact C-N 3.31Å; E58-L60 PolarHBondContact O-N 3.1Å; L60-F63 PolarHBondContact O-N 2.91Å; L60-F64 HydrophobicContact CB-CD2 4.44Å; L60-F64 HydrophobicContact CB-CE2 4.36Å; L60-F64 HydrophobicContact CD2-CE2 4.05Å; L60-F64 WeakPolarHBondContact O-CD2 3.26Å; L60-F64 PolarHBondContact O-N 2.98Å
61N97.4Very high97.6Very high57 Ų5763.7 Ų63.731%0.30537%0.366SS..Hα-helixtrans-63.6-50.8-179.7-124.74.3000110.7T38 Q57 E58 A59 F63 F64 E65T38-N61 HydrophobicContact CG2-CB 4.03Å; T38-N61 WeakPolarHBondContact CG2-OD1 3.42Å; T38-N61 PolarHBondContact OG1-OD1 3.04Å; Q57-N61 WeakPolarHBondContact O-CB 3.43Å; Q57-N61 PolarHBondContact O-N 3.01Å; E58-N61 WeakPolarHBondContact O-CB 3.39Å; E58-N61 PolarHBondContact O-N 3.41Å; A59-N61 VanDerWaalsContact C-N 3.35Å; N61-F63 VanDerWaalsContact C-N 3.29Å; N61-F63 PolarHBondContact O-N 2.9Å; N61-F64 PolarHBondContact O-N 2.93Å; N61-E65 WeakPolarHBondContact O-CB 3.39Å; N61-E65 WeakPolarHBondContact O-CG 3.45Å; N61-E65 PolarHBondContact O-N 2.6Å
62E97.6Very high97.6Very high110 Ų11062.6 Ų62.651%0.51435%0.348SS..Hα-helixtrans-56.8-45.9175.8-67.4179.6170.100111E58 F64 E65 M66E58-E62 PolarHBondContact O-N 2.83Å; E62-F64 PolarHBondContact O-N 3Å; E62-E65 PolarHBondContact O-N 3.4Å; E62-M66 VanDerWaalsContact O-CG 3.3Å; E62-M66 WeakPolarHBondContact O-CG 3.4Å; E62-M66 PolarHBondContact O-N 3.44Å
63F98.3Very high97.7Very high33 Ų3362.8 Ų62.815%0.14535%0.346CS..Hα-helixtrans-59.3-49.4179.3-180-98000112.7L47 W49 V54 A59 L60 N61 E65 M66 L67L47-F63 HydrophobicContact CD2-CD1 3.57Å; L47-F63 HydrophobicContact CD2-CE1 3.51Å; L47-F63 HydrophobicContact CD2-CZ 4.42Å; W49-F63 HydrophobicContact CB-CE1 4.11Å; W49-F63 HydrophobicContact CB-CE2 4.36Å; W49-F63 HydrophobicContact CB-CZ 3.61Å; W49-F63 AromaticContact CD1-CZ 3.68Å; W49-F63 AromaticContact CD2-CE1 3.9Å; W49-F63 HydrophobicContact CD2-CE1 3.9Å; W49-F63 AromaticContact CD2-CZ 3.73Å; W49-F63 HydrophobicContact CD2-CZ 3.73Å; W49-F63 AromaticContact CE3-CE1 3.97Å; W49-F63 HydrophobicContact CE3-CE1 3.97Å; W49-F63 HydrophobicContact CE3-CZ 4.28Å; W49-F63 AromaticContact CG-CE1 3.98Å; W49-F63 HydrophobicContact CG-CE1 3.98Å; W49-F63 HydrophobicContact CG-CE2 4.4Å; W49-F63 AromaticContact CG-CZ 3.4Å; W49-F63 HydrophobicContact CG-CZ 3.4Å; W49-F63 VanDerWaalsContact CG-CZ 3.4Å; V54-F63 HydrophobicContact CG1-CB 4.08Å; V54-F63 HydrophobicContact CG2-CB 4.31Å; V54-F63 HydrophobicContact CG2-CD2 3.87Å; V54-F63 HydrophobicContact CG2-CE2 4.4Å; V54-F63 HydrophobicContact CG2-CG 3.98Å; A59-F63 WeakPolarHBondContact O-CB 3.26Å; A59-F63 PolarHBondContact O-N 2.89Å; L60-F63 PolarHBondContact O-N 2.91Å; N61-F63 VanDerWaalsContact C-N 3.29Å; N61-F63 PolarHBondContact O-N 2.9Å; F63-E65 VanDerWaalsContact C-N 3.35Å; F63-E65 PolarHBondContact O-N 3.02Å; F63-M66 PolarHBondContact O-N 2.79Å; F63-L67 HydrophobicContact CD1-CD1 4.32Å; F63-L67 HydrophobicContact CE1-CD1 3.68Å; F63-L67 HydrophobicContact CE1-CD2 4.47Å; F63-L67 HydrophobicContact CE1-CG 4.15Å; F63-L67 HydrophobicContact CZ-CD1 4.14Å; F63-L67 HydrophobicContact CZ-CD2 4.13Å; F63-L67 HydrophobicContact CZ-CG 4.28Å; F63-L67 PolarHBondContact O-N 2.93Å
64F98.1Very high97.7Very high1 Ų161.4 Ų61.40%0.00433%0.329CS..Hα-helixtrans-70.8-28.8-178.9-73.4-58.7000113.6M30 R34 L37 T38 Y41 L47 L60 N61 E62 L67M30-F64 HydrophobicContact CE-CD1 4.22Å; M30-F64 HydrophobicContact CE-CE1 4.43Å; M30-F64 HydrophobicContact SD-CD1 4.06Å; M30-F64 HydrophobicContact SD-CE1 4.28Å; R34-F64 WeakPolarHBondContact CD-O 3.32Å; R34-F64 HydrophobicContact CG-CB 4.24Å; R34-F64 WeakPolarHBondContact CG-O 3.43Å; R34-F64 PolarHBondContact NH1-O 2.77Å; L37-F64 HydrophobicContact CD2-CD1 3.63Å; L37-F64 HydrophobicContact CD2-CD2 3.96Å; L37-F64 HydrophobicContact CD2-CE1 3.71Å; L37-F64 HydrophobicContact CD2-CE2 4.02Å; L37-F64 HydrophobicContact CD2-CG 3.79Å; L37-F64 HydrophobicContact CD2-CZ 3.92Å; T38-F64 HydrophobicContact CG2-CD2 3.92Å; Y41-F64 AromaticContact CE2-CE2 3.77Å; Y41-F64 HydrophobicContact CE2-CE2 3.77Å; Y41-F64 HydrophobicContact CE2-CZ 4.08Å; Y41-F64 AromaticContact CZ-CE2 3.85Å; Y41-F64 AromaticContact CZ-CZ 3.81Å; Y41-F64 VanDerWaalsContact OH-CZ 3.29Å; Y41-F64 WeakPolarHBondContact OH-CZ 3.35Å; L47-F64 HydrophobicContact CD2-CE1 4.31Å; L47-F64 HydrophobicContact CD2-CE2 4.48Å; L47-F64 HydrophobicContact CD2-CZ 3.85Å; L60-F64 HydrophobicContact CB-CD2 4.44Å; L60-F64 HydrophobicContact CB-CE2 4.36Å; L60-F64 HydrophobicContact CD2-CE2 4.05Å; L60-F64 WeakPolarHBondContact O-CD2 3.26Å; L60-F64 PolarHBondContact O-N 2.98Å; N61-F64 PolarHBondContact O-N 2.93Å; E62-F64 PolarHBondContact O-N 3Å; F64-L67 HydrophobicContact CD1-CD1 4.01Å; F64-L67 HydrophobicContact CE1-CD1 4.46Å
65E95.6Very high97.6Very high124 Ų12466 Ų6658%0.57935%0.353SS*.Hα-helixtrans-69.1-33.9172.2-75.3-171.7166.900112.3N61 E62 F63 L67N61-E65 WeakPolarHBondContact O-CB 3.39Å; N61-E65 WeakPolarHBondContact O-CG 3.45Å; N61-E65 PolarHBondContact O-N 2.6Å; E62-E65 PolarHBondContact O-N 3.4Å; F63-E65 VanDerWaalsContact C-N 3.35Å; F63-E65 PolarHBondContact O-N 3.02Å; E65-L67 VanDerWaalsContact C-N 3.32Å
66M96.1Very high97.6Very high143 Ų14366.6 Ų66.670%0.70435%0.354SS*.Hα-helixtrans-73.5-20.9176.3-71.9-173.7-66.200113.7E62 F63E62-M66 VanDerWaalsContact O-CG 3.3Å; E62-M66 WeakPolarHBondContact O-CG 3.4Å; E62-M66 PolarHBondContact O-N 3.44Å; F63-M66 PolarHBondContact O-N 2.79Å
67L96.8Very high97.6Very high28 Ų2868.6 Ų68.615%0.14736%0.359CS..SBendtrans-71.1141.5179.3-73-179.5000111.8M30 R34 W49 F63 F64 E65M30-L67 HydrophobicContact CE-CD1 3.77Å; R34-L67 PolarHBondContact NH1-O 2.91Å; W49-L67 HydrophobicContact CH2-CD1 4.07Å; W49-L67 HydrophobicContact CZ2-CD1 4.06Å; W49-L67 HydrophobicContact CZ3-CD1 4.42Å; F63-L67 HydrophobicContact CD1-CD1 4.32Å; F63-L67 HydrophobicContact CE1-CD1 3.68Å; F63-L67 HydrophobicContact CE1-CD2 4.47Å; F63-L67 HydrophobicContact CE1-CG 4.15Å; F63-L67 HydrophobicContact CZ-CD1 4.14Å; F63-L67 HydrophobicContact CZ-CD2 4.13Å; F63-L67 HydrophobicContact CZ-CG 4.28Å; F63-L67 PolarHBondContact O-N 2.93Å; F64-L67 HydrophobicContact CD1-CD1 4.01Å; F64-L67 HydrophobicContact CE1-CD1 4.46Å; E65-L67 VanDerWaalsContact C-N 3.32Å
68P97.4Very high97.7Very high54 Ų5470.3 Ų70.335%0.35137%0.37SS..PPolyproline II helixtrans-57.8163.8171.8-22.232.7000112.6R34 F103 D104R34-P68 PolarHBondContact NH1-O 2.84Å; R34-P68 PolarHBondContact NH2-O 2.77Å; P68-F103 HydrophobicContact CB-CB 4.22Å; P68-F103 HydrophobicContact CB-CD1 4.36Å; P68-F103 HydrophobicContact CG-CB 4.44Å; P68-D104 HydrophobicContact CB-CB 4.22Å
69S98Very high97.8Very high80 Ų8064.2 Ų64.256%0.55934%0.344SS*.PPolyproline II helixtrans-51.9143.2165.6-65.70000110.4R34 F103 D104R34-S69 VanDerWaalsContact NH2-CA 3.29Å; S69-F103 CarbonylContact O-C 3.52Å; S69-F103 VanDerWaalsContact O-CA 3.31Å; S69-F103 WeakPolarHBondContact O-CA 3.35Å; S69-D104 PolarHBondContact O-N 2.78Å
70S98.6Very high97.8Very high8 Ų867.6 Ų67.66%0.05635%0.353CS..EExtended strand (participates in β ladder)trans-127.4154.1-175.356.80000111.5D31 K102D31-S70 VanDerWaalsContact CG-O 3.24Å; D31-S70 WeakPolarHBondContact OD1-CB 3.03Å; D31-S70 PolarHBondContact OD1-OG 2.91Å; S70-K102 CarbonylContact C-O 3.57Å; S70-K102 WeakPolarHBondContact CA-O 3.27Å
71E98.6Very high97.8Very high118 Ų11869.3 Ų69.355%0.55136%0.364SS*.EExtended strand (participates in β ladder)trans-132.3104.7166.4-66.5175.5174.200107.7V101 K102E71-V101 WeakPolarHBondContact O-CA 3.3Å; E71-K102 HydrophobicContact CB-CB 4.48Å; E71-K102 PolarHBondContact N-O 2.81Å; E71-K102 PolarHBondContact O-N 2.97Å
72F98.6Very high97.8Very high22 Ų2268.5 Ų68.510%0.09636%0.361CS..EExtended strand (participates in β ladder)trans-92139.9177.7-80.6-100.4000111.4Y27 M30 D31 V101 F103 F111 F135Y27-F72 HydrophobicContact CD1-CB 3.65Å; Y27-F72 AromaticContact CD1-CD1 3.4Å; Y27-F72 HydrophobicContact CD1-CD1 3.4Å; Y27-F72 HydrophobicContact CD1-CD2 4.04Å; Y27-F72 AromaticContact CD1-CE1 3.95Å; Y27-F72 HydrophobicContact CD1-CE1 3.95Å; Y27-F72 AromaticContact CD1-CG 3.44Å; Y27-F72 HydrophobicContact CD1-CG 3.44Å; Y27-F72 VanDerWaalsContact CD1-CG 3.44Å; Y27-F72 HydrophobicContact CD1-CZ 4.47Å; Y27-F72 HydrophobicContact CE1-CB 4.37Å; Y27-F72 AromaticContact CE1-CD1 3.29Å; Y27-F72 HydrophobicContact CE1-CD1 3.29Å; Y27-F72 AromaticContact CE1-CE1 3.54Å; Y27-F72 HydrophobicContact CE1-CE1 3.54Å; Y27-F72 AromaticContact CE1-CG 3.88Å; Y27-F72 HydrophobicContact CE1-CG 3.88Å; Y27-F72 HydrophobicContact CE1-CZ 4.3Å; Y27-F72 HydrophobicContact CG-CB 4.19Å; Y27-F72 HydrophobicContact CG-CG 4.43Å; M30-F72 HydrophobicContact CE-CE2 4.12Å; M30-F72 HydrophobicContact CG-CD2 4.1Å; M30-F72 HydrophobicContact CG-CE2 3.6Å; M30-F72 HydrophobicContact CG-CZ 4.4Å; D31-F72 VanDerWaalsContact OD1-CD2 3.3Å; D31-F72 WeakPolarHBondContact OD1-CD2 3.45Å; D31-F72 PolarHBondContact OD2-N 3.42Å; F72-V101 HydrophobicContact CD1-CB 3.73Å; F72-V101 HydrophobicContact CD1-CG2 3.88Å; F72-V101 HydrophobicContact CD2-CB 4.33Å; F72-V101 HydrophobicContact CD2-CG2 3.58Å; F72-V101 HydrophobicContact CE1-CB 3.72Å; F72-V101 HydrophobicContact CE1-CG1 4.27Å; F72-V101 HydrophobicContact CE1-CG2 3.75Å; F72-V101 HydrophobicContact CE2-CB 4.33Å; F72-V101 HydrophobicContact CE2-CG2 3.44Å; F72-V101 VanDerWaalsContact CE2-CG2 3.44Å; F72-V101 HydrophobicContact CG-CB 4.06Å; F72-V101 HydrophobicContact CG-CG2 3.81Å; F72-V101 HydrophobicContact CZ-CB 4.05Å; F72-V101 HydrophobicContact CZ-CG2 3.55Å; F72-F103 HydrophobicContact CE2-CZ 4.28Å; F72-F103 HydrophobicContact CZ-CZ 4.16Å; F72-F111 HydrophobicContact CD1-CD1 4.22Å; F72-F111 AromaticContact CD1-CE1 3.54Å; F72-F111 HydrophobicContact CD1-CE1 3.54Å; F72-F111 HydrophobicContact CD1-CE2 4.34Å; F72-F111 AromaticContact CD1-CZ 3.61Å; F72-F111 HydrophobicContact CD1-CZ 3.61Å; F72-F111 HydrophobicContact CE1-CD1 4.24Å; F72-F111 HydrophobicContact CE1-CD2 4.46Å; F72-F111 AromaticContact CE1-CE1 3.93Å; F72-F111 HydrophobicContact CE1-CE1 3.93Å; F72-F111 HydrophobicContact CE1-CE2 4.18Å; F72-F111 AromaticContact CE1-CZ 3.9Å; F72-F111 HydrophobicContact CE1-CZ 3.9Å; F72-F135 AromaticContact CE1-CE2 3.9Å; F72-F135 HydrophobicContact CE1-CE2 3.9Å; F72-F135 HydrophobicContact CZ-CE2 4.2Å
73Q98.5Very high97.5Very high112 Ų11268.9 Ų68.952%0.52336%0.363SS..EExtended strand (participates in β ladder)trans-127.4106.1167.4-62.4-179.111.300108.4N75 G99 T100Q73-N75 PolarHBondContact O-OD1 3.46Å; Q73-G99 CarbonylContact O-C 3.55Å; Q73-G99 VanDerWaalsContact O-CA 3.27Å; Q73-G99 WeakPolarHBondContact O-CA 3.38Å; Q73-T100 PolarHBondContact N-O 3.14Å; Q73-T100 PolarHBondContact O-N 3.16Å
74V98.4Very high97.1Very high51 Ų5173 Ų7331%0.30938%0.382SS..EExtended strand (participates in β ladder)trans-82.7124.5176.8-177.50000108.8V23 Y27 V76 T97V23-V74 HydrophobicContact CG1-CG1 4.28Å; V23-V74 HydrophobicContact CG1-CG2 4.19Å; Y27-V74 HydrophobicContact CD1-CG2 4.48Å; Y27-V74 HydrophobicContact CD2-CG2 3.39Å; Y27-V74 HydrophobicContact CE1-CG2 4.47Å; Y27-V74 HydrophobicContact CE2-CG2 3.37Å; Y27-V74 HydrophobicContact CG-CG2 3.97Å; V74-V76 WeakPolarHBondContact CG1-O 3.48Å; V74-T97 HydrophobicContact CG1-CG2 4.19Å
75N96Very high96.8Very high114 Ų11480.7 Ų80.761%0.6142%0.419SS*.EExtended strand (participates in β ladder)trans-102.5-31.4179.7-64.896.3000112.3Q73 C98 G99Q73-N75 PolarHBondContact O-OD1 3.46Å; N75-C98 PolarHBondContact N-O 3.1Å; N75-G99 VanDerWaalsContact OD1-CA 3.25Å; N75-G99 WeakPolarHBondContact OD1-CA 3.16Å
76V97.9Very high96.6Very high86 Ų8678.7 Ų78.752%0.52142%0.423SS..EExtended strand (participates in β ladder)trans-134.3137.6-176.1-177.70000109.2V74 T97 C98V74-V76 WeakPolarHBondContact CG1-O 3.48Å; V76-T97 VanDerWaalsContact O-CA 3.32Å; V76-T97 WeakPolarHBondContact O-CA 3.44Å; V76-C98 HydrophobicContact CB-CB 4.25Å; V76-C98 PolarHBondContact N-O 2.97Å; V76-C98 PolarHBondContact O-N 2.97Å
77L98.3Very high96.4Very high62 Ų6272.9 Ų72.933%0.32540%0.396SS..EExtended strand (participates in β ladder)trans-133.2131.1173.8171.157.7000108A19 E20 V23 V95 V96 T97A19-L77 HydrophobicContact CB-CD1 4.31Å; E20-L77 HydrophobicContact CG-CD2 3.96Å; V23-L77 HydrophobicContact CG2-CD1 3.76Å; V23-L77 HydrophobicContact CG2-CD2 4.33Å; L77-V95 HydrophobicContact CD1-CG1 3.53Å; L77-V96 WeakPolarHBondContact CA-O 3.29Å; L77-T97 HydrophobicContact CD1-CG2 3.84Å
78D98.8Very high96.1Very high88 Ų8880.5 Ų80.547%0.47143%0.43SS..EExtended strand (participates in β ladder)trans-134.6154.7167.2-173.428.5000109.6V96D78-V96 PolarHBondContact N-O 2.96Å; D78-V96 PolarHBondContact O-N 3.32Å
79C98.7Very high95.6Very high21 Ų2182.3 Ų82.314%0.14245%0.445CS..EExtended strand (participates in β ladder)trans-152.3154.4177.770.50000113.1A15 C16 A19 V93 L94 V95A15-C79 VanDerWaalsContact C-SG 3.6Å; C16-C79 VanDerWaalsContact CA-SG 3.55Å; A19-C79 HydrophobicContact CB-CB 3.57Å; C79-V93 HydrophobicContact CB-CG1 4.1Å; C79-L94 CarbonylContact C-O 3.59Å; C79-L94 WeakPolarHBondContact CA-O 3.29Å; C79-L94 WeakPolarHBondContact CB-O 3.06Å; C79-V95 HydrophobicContact CB-CG2 4.32Å
80Q98.4Very high95.4Very high107 Ų10782.3 Ų82.350%0.544%0.436SS..EExtended strand (participates in β ladder)trans-141.4134-178.7-60.1177.95.500110V82 L94Q80-V82 PolarHBondContact O-N 3.3Å; Q80-L94 PolarHBondContact N-O 2.81Å; Q80-L94 PolarHBondContact O-N 3.33Å
81P97.5Very high95.3Very high36 Ų3685 Ų8523%0.23445%0.452CS..EExtended strand (participates in β ladder)trans-65.5133.7166.928.8-32.9000109.3F8 V12 A15F8-P81 HydrophobicContact CE2-CG 4.22Å; F8-P81 HydrophobicContact CZ-CG 4.35Å; V12-P81 HydrophobicContact CG2-CG 4.04Å; A15-P81 HydrophobicContact CB-CB 4.4Å
82V97.1Very high95.2Very high41 Ų4179.6 Ų79.625%0.24843%0.427CS..PPolyproline II helixtrans-88.1135.7-179.7-177.40000109.6Q80 A86 T87 T92 L94 L116Q80-V82 PolarHBondContact O-N 3.3Å; V82-A86 HydrophobicContact CG1-CB 4.01Å; V82-T87 HydrophobicContact CB-CG2 4.24Å; V82-T87 HydrophobicContact CG1-CG2 3.61Å; V82-T92 HydrophobicContact CB-CG2 4.01Å; V82-T92 HydrophobicContact CG2-CG2 3.87Å; V82-T92 PolarHBondContact N-O 2.87Å; V82-L94 HydrophobicContact CG2-CB 4Å; V82-L116 HydrophobicContact CG2-CD1 3.88Å
83H92.8Very high95.2Very high118 Ų11878.7 Ų78.755%0.54642%0.423SS..PPolyproline II helixtrans-63.1135.6-179.8-166-84000111.6Q85 A86H83-Q85 PolarHBondContact ND1-N 2.91Å; H83-Q85 PolarHBondContact O-N 2.96Å; H83-Q85 VanDerWaalsContact O-N 3.09Å; H83-A86 WeakPolarHBondContact O-CB 3.38Å; H83-A86 PolarHBondContact O-N 3.08Å
84E89.3Confident95.2Very high118 Ų11875.9 Ų75.955%0.55141%0.411SS*.Hα-helixtrans-57.3-29.7-172.857.1172.8-168.900114.9A86 T87 Q88 S89E84-A86 PolarHBondContact O-N 3.06Å; E84-T87 CarbonylContact O-C 3.54Å; E84-T87 PolarHBondContact O-N 3.45Å; E84-T87 VanDerWaalsContact O-N 3.11Å; E84-T87 PolarHBondContact O-OG1 3.37Å; E84-Q88 PolarHBondContact O-N 2.91Å; E84-S89 PolarHBondContact O-N 3.37Å
85Q90.6Very high95.3Very high164 Ų16473.4 Ų73.477%0.76640%0.397SS*.Hα-helixtrans-63.8-29176.6-70.2176.9-2.700112.6H83 T87H83-Q85 PolarHBondContact ND1-N 2.91Å; H83-Q85 PolarHBondContact O-N 2.96Å; H83-Q85 VanDerWaalsContact O-N 3.09Å; Q85-T87 VanDerWaalsContact C-N 3.3Å
86A93.1Very high95.4Very high82 Ų8270.8 Ų70.868%0.67838%0.384SS*.Hα-helixtrans-79-16.8177.100000112.4V82 H83 E84V82-A86 HydrophobicContact CG1-CB 4.01Å; H83-A86 WeakPolarHBondContact O-CB 3.38Å; H83-A86 PolarHBondContact O-N 3.08Å; E84-A86 PolarHBondContact O-N 3.06Å
87T91.7Very high95.4Very high20 Ų2066.7 Ų66.712%0.12336%0.36CS..Hα-helixtrans-128.413.2-167.462.80000113.5V82 E84 Q85 S89 Q90 T92V82-T87 HydrophobicContact CB-CG2 4.24Å; V82-T87 HydrophobicContact CG1-CG2 3.61Å; E84-T87 CarbonylContact O-C 3.54Å; E84-T87 PolarHBondContact O-N 3.45Å; E84-T87 VanDerWaalsContact O-N 3.11Å; E84-T87 PolarHBondContact O-OG1 3.37Å; Q85-T87 VanDerWaalsContact C-N 3.3Å; T87-S89 PolarHBondContact O-N 3.38Å; T87-Q90 WeakPolarHBondContact CB-O 3.47Å; T87-Q90 VanDerWaalsContact O-CB 3.22Å; T87-Q90 WeakPolarHBondContact O-CB 3.37Å; T87-Q90 PolarHBondContact O-N 3.05Å; T87-Q90 PolarHBondContact OG1-O 3.37Å; T87-T92 HydrophobicContact CG2-CG2 3.91Å; T87-T92 WeakPolarHBondContact CG2-OG1 3.3Å
88Q90.1Very high95.4Very high188 Ų18865.3 Ų65.388%0.87936%0.355SS*.THydrogen-bonded Turntrans52.844.9179.8-54.9176.7900111.8E84 Q90E84-Q88 PolarHBondContact O-N 2.91Å; Q88-Q90 PolarHBondContact O-N 2.97Å
89S87.8Confident95.4Very high93 Ų9361.1 Ų61.165%0.6533%0.332SS*.THydrogen-bonded Turntrans65.314.9-177.7-54.80000115.8E84 T87E84-S89 PolarHBondContact O-N 3.37Å; T87-S89 PolarHBondContact O-N 3.38Å
90Q93.1Very high95.4Very high80 Ų8060.5 Ų60.537%0.37433%0.328SS..  trans-82124.2170.1-170.2172.2-0.500110.9T87 Q88 T92 T118T87-Q90 WeakPolarHBondContact CB-O 3.47Å; T87-Q90 VanDerWaalsContact O-CB 3.22Å; T87-Q90 WeakPolarHBondContact O-CB 3.37Å; T87-Q90 PolarHBondContact O-N 3.05Å; T87-Q90 PolarHBondContact OG1-O 3.37Å; Q88-Q90 PolarHBondContact O-N 2.97Å; Q90-T92 PolarHBondContact O-N 3.48Å; Q90-T92 VanDerWaalsContact O-N 3.14Å; Q90-T92 PolarHBondContact O-OG1 2.99Å; Q90-T118 HydrophobicContact CG-CG2 4.5Å; Q90-T118 PolarHBondContact NE2-OG1 3Å
91T95.5Very high95.4Very high63 Ų6355.4 Ų55.439%0.38730%0.304SS..  trans-60117.2175.8-53.50000110.4A119 W128T91-A119 HydrophobicContact CG2-CB 4.31Å; T91-A119 PolarHBondContact O-N 3.28Å; T91-W128 HydrophobicContact CG2-CH2 3.87Å
92T97.9Very high95.5Very high5 Ų558.4 Ų58.43%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-140143-168.7-57.80000110.5V82 T87 Q90 L116 L117 T118V82-T92 HydrophobicContact CB-CG2 4.01Å; V82-T92 HydrophobicContact CG2-CG2 3.87Å; V82-T92 PolarHBondContact N-O 2.87Å; T87-T92 HydrophobicContact CG2-CG2 3.91Å; T87-T92 WeakPolarHBondContact CG2-OG1 3.3Å; Q90-T92 PolarHBondContact O-N 3.48Å; Q90-T92 VanDerWaalsContact O-N 3.14Å; Q90-T92 PolarHBondContact O-OG1 2.99Å; T92-L116 HydrophobicContact CG2-CD1 3.54Å; T92-L116 HydrophobicContact CG2-CD2 4.2Å; T92-L116 HydrophobicContact CG2-CG 3.59Å; T92-L117 CarbonylContact C-O 3.49Å; T92-L117 WeakPolarHBondContact CA-O 3.26Å; T92-L117 WeakPolarHBondContact CG2-O 3.17Å; T92-T118 HydrophobicContact CG2-CG2 4.27Å
93V98.5Very high95.5Very high4 Ų457.1 Ų57.12%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-127.1128.7179.31780000108.7A15 C79 V95 L117 W128A15-V93 HydrophobicContact CB-CG1 3.84Å; A15-V93 HydrophobicContact CB-CG2 3.81Å; C79-V93 HydrophobicContact CB-CG1 4.1Å; V93-V95 HydrophobicContact CG1-CG2 3.85Å; V93-L117 HydrophobicContact CB-CB 4.49Å; V93-L117 PolarHBondContact N-O 2.95Å; V93-L117 PolarHBondContact O-N 3.34Å; V93-W128 HydrophobicContact CB-CZ3 4.16Å; V93-W128 HydrophobicContact CG2-CE3 4.48Å; V93-W128 HydrophobicContact CG2-CH2 3.47Å; V93-W128 VanDerWaalsContact CG2-CH2 3.47Å; V93-W128 HydrophobicContact CG2-CZ2 4.36Å; V93-W128 HydrophobicContact CG2-CZ3 3.56Å
94L98.8Very high95.7Very high52 Ų5256.9 Ų56.927%0.27231%0.308SS..EExtended strand (participates in β ladder)trans-83.5127.3165.4174.364.5000107.8C79 Q80 V82 V96 F115C79-L94 CarbonylContact C-O 3.59Å; C79-L94 WeakPolarHBondContact CA-O 3.29Å; C79-L94 WeakPolarHBondContact CB-O 3.06Å; Q80-L94 PolarHBondContact N-O 2.81Å; Q80-L94 PolarHBondContact O-N 3.33Å; V82-L94 HydrophobicContact CG2-CB 4Å; L94-V96 HydrophobicContact CD1-CG2 4.48Å; L94-V96 HydrophobicContact CG-CG2 4.28Å; L94-F115 WeakPolarHBondContact CA-O 3.48Å
95V98.9Very high96Very high0 Ų055 Ų550%032%0.319CS..EExtended strand (participates in β ladder)trans-119.3132.8175.3-178.60000108.6A19 V23 L77 C79 V93 T97 N114 F115 L117A19-V95 HydrophobicContact CB-CG1 4.19Å; A19-V95 HydrophobicContact CB-CG2 3.71Å; V23-V95 HydrophobicContact CG2-CG1 3.95Å; L77-V95 HydrophobicContact CD1-CG1 3.53Å; C79-V95 HydrophobicContact CB-CG2 4.32Å; V93-V95 HydrophobicContact CG1-CG2 3.85Å; V95-T97 HydrophobicContact CG1-CG2 4.31Å; V95-N114 CarbonylContact O-C 2.92Å; V95-N114 WeakPolarHBondContact O-CA 3.26Å; V95-F115 HydrophobicContact CB-CB 4.37Å; V95-F115 HydrophobicContact CB-CD2 4.4Å; V95-F115 HydrophobicContact CG1-CD2 4.41Å; V95-F115 PolarHBondContact N-O 3.46Å; V95-F115 PolarHBondContact O-N 2.96Å; V95-L117 HydrophobicContact CG2-CD1 3.62Å; V95-L117 HydrophobicContact CG2-CG 4.05Å
96V98.8Very high96.2Very high58 Ų5851.6 Ų51.635%0.35231%0.307SS..EExtended strand (participates in β ladder)trans-124.1131.5176.7-174.40000108.8L77 D78 L94 N114L77-V96 WeakPolarHBondContact CA-O 3.29Å; D78-V96 PolarHBondContact N-O 2.96Å; D78-V96 PolarHBondContact O-N 3.32Å; L94-V96 HydrophobicContact CD1-CG2 4.48Å; L94-V96 HydrophobicContact CG-CG2 4.28Å; V96-N114 HydrophobicContact CG2-CB 4.15Å
97T98.6Very high96.3Very high1 Ų154 Ų541%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-130.5145.718054.40000110.9V23 Y27 V74 V76 L77 V95 N112 Q113V23-T97 HydrophobicContact CG1-CG2 4.4Å; V23-T97 HydrophobicContact CG2-CG2 3.72Å; Y27-T97 HydrophobicContact CE2-CG2 4.28Å; Y27-T97 PolarHBondContact OH-OG1 3.37Å; V74-T97 HydrophobicContact CG1-CG2 4.19Å; V76-T97 VanDerWaalsContact O-CA 3.32Å; V76-T97 WeakPolarHBondContact O-CA 3.44Å; L77-T97 HydrophobicContact CD1-CG2 3.84Å; V95-T97 HydrophobicContact CG1-CG2 4.31Å; T97-N112 WeakPolarHBondContact O-CA 3.46Å; T97-Q113 PolarHBondContact N-O 3.08Å; T97-Q113 PolarHBondContact O-N 3.19Å; T97-Q113 PolarHBondContact OG1-O 3.49Å
98C98.3Very high96.6Very high32 Ų3258 Ų5822%0.21632%0.319CS..EExtended strand (participates in β ladder)trans-136.6143.4172.4168.80000108.8N75 V76 F111 N112N75-C98 PolarHBondContact N-O 3.1Å; V76-C98 HydrophobicContact CB-CB 4.25Å; V76-C98 PolarHBondContact N-O 2.97Å; V76-C98 PolarHBondContact O-N 2.97Å; C98-F111 WeakPolarHBondContact CA-O 3.27Å; C98-N112 WeakPolarHBondContact CB-OD1 3.32Å
99G98.4Very high96.9Very high0 Ų051.3 Ų51.30%029%0.286CS..EExtended strand (participates in β ladder)trans178.5-152.1177.700000112.4Q73 N75 Y110 F111Q73-G99 CarbonylContact O-C 3.55Å; Q73-G99 VanDerWaalsContact O-CA 3.27Å; Q73-G99 WeakPolarHBondContact O-CA 3.38Å; N75-G99 VanDerWaalsContact OD1-CA 3.25Å; N75-G99 WeakPolarHBondContact OD1-CA 3.16Å; G99-Y110 VanDerWaalsContact O-CA 3.32Å; G99-Y110 WeakPolarHBondContact O-CA 3.45Å; G99-F111 PolarHBondContact N-O 3.42Å; G99-F111 WeakPolarHBondContact O-CD1 3.48Å; G99-F111 PolarHBondContact O-N 3.44Å
100T98.6Very high97.4Very high8 Ų853.3 Ų53.35%0.04928%0.28CS..EExtended strand (participates in β ladder)trans-118.3151.1175.362.40000111.2Q73 Q108 R109 Y110 F111Q73-T100 PolarHBondContact N-O 3.14Å; Q73-T100 PolarHBondContact O-N 3.16Å; T100-Q108 HydrophobicContact CG2-CG 4.47Å; T100-R109 CarbonylContact C-O 3.51Å; T100-R109 VanDerWaalsContact CA-O 3.24Å; T100-R109 WeakPolarHBondContact CA-O 3.35Å; T100-Y110 HydrophobicContact CG2-CD1 3.51Å; T100-Y110 HydrophobicContact CG2-CE1 3.44Å; T100-Y110 VanDerWaalsContact CG2-CE1 3.44Å; T100-Y110 HydrophobicContact CG2-CG 4.22Å; T100-F111 WeakPolarHBondContact O-CE1 3.49Å
101V98.6Very high97.7Very high1 Ų149.5 Ų49.51%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-136138.8170.159.90000109.1E71 F72 F103 Q108 R109 F111 F135 F137E71-V101 WeakPolarHBondContact O-CA 3.3Å; F72-V101 HydrophobicContact CD1-CB 3.73Å; F72-V101 HydrophobicContact CD1-CG2 3.88Å; F72-V101 HydrophobicContact CD2-CB 4.33Å; F72-V101 HydrophobicContact CD2-CG2 3.58Å; F72-V101 HydrophobicContact CE1-CB 3.72Å; F72-V101 HydrophobicContact CE1-CG1 4.27Å; F72-V101 HydrophobicContact CE1-CG2 3.75Å; F72-V101 HydrophobicContact CE2-CB 4.33Å; F72-V101 HydrophobicContact CE2-CG2 3.44Å; F72-V101 VanDerWaalsContact CE2-CG2 3.44Å; F72-V101 HydrophobicContact CG-CB 4.06Å; F72-V101 HydrophobicContact CG-CG2 3.81Å; F72-V101 HydrophobicContact CZ-CB 4.05Å; F72-V101 HydrophobicContact CZ-CG2 3.55Å; V101-F103 HydrophobicContact CB-CE2 4.29Å; V101-F103 HydrophobicContact CG1-CD2 4.22Å; V101-F103 HydrophobicContact CG1-CE2 3.7Å; V101-F103 HydrophobicContact CG2-CD2 3.92Å; V101-F103 HydrophobicContact CG2-CE1 4.44Å; V101-F103 HydrophobicContact CG2-CE2 3.53Å; V101-F103 HydrophobicContact CG2-CZ 3.82Å; V101-Q108 WeakPolarHBondContact O-CA 3.46Å; V101-R109 PolarHBondContact N-O 2.76Å; V101-R109 PolarHBondContact O-N 3.44Å; V101-F111 HydrophobicContact CB-CD1 4.12Å; V101-F111 HydrophobicContact CB-CE1 4.47Å; V101-F111 HydrophobicContact CG1-CB 4.4Å; V101-F111 HydrophobicContact CG1-CD1 4Å; V101-F111 HydrophobicContact CG1-CG 4.44Å; V101-F135 HydrophobicContact CG1-CZ 4.15Å; V101-F137 HydrophobicContact CG1-CD1 4.47Å; V101-F137 HydrophobicContact CG1-CE1 3.64Å
102K98.4Very high97.9Very high98 Ų9849.9 Ų49.943%0.42626%0.262SS..EExtended strand (participates in β ladder)trans-114114.8169.3-176.5-175.3173.5-1650108.5S70 E71 Q108S70-K102 CarbonylContact C-O 3.57Å; S70-K102 WeakPolarHBondContact CA-O 3.27Å; E71-K102 HydrophobicContact CB-CB 4.48Å; E71-K102 PolarHBondContact N-O 2.81Å; E71-K102 PolarHBondContact O-N 2.97Å; K102-Q108 HydrophobicContact CB-CB 4.31Å; K102-Q108 HydrophobicContact CB-CG 4.49Å
103F97.9Very high97.9Very high15 Ų1549.6 Ų49.67%0.06626%0.26CS..EExtended strand (participates in β ladder)trans-88.9145.2168.8-71.9-79.4000109.5M30 W49 P68 S69 F72 V101 G105 N106 F137M30-F103 HydrophobicContact CE-CE1 4.26Å; W49-F103 AromaticContact CH2-CZ 3.89Å; W49-F103 HydrophobicContact CH2-CZ 3.89Å; W49-F103 HydrophobicContact CZ2-CE2 4.2Å; W49-F103 AromaticContact CZ2-CZ 3.7Å; W49-F103 HydrophobicContact CZ2-CZ 3.7Å; P68-F103 HydrophobicContact CB-CB 4.22Å; P68-F103 HydrophobicContact CB-CD1 4.36Å; P68-F103 HydrophobicContact CG-CB 4.44Å; S69-F103 CarbonylContact O-C 3.52Å; S69-F103 VanDerWaalsContact O-CA 3.31Å; S69-F103 WeakPolarHBondContact O-CA 3.35Å; F72-F103 HydrophobicContact CE2-CZ 4.28Å; F72-F103 HydrophobicContact CZ-CZ 4.16Å; V101-F103 HydrophobicContact CB-CE2 4.29Å; V101-F103 HydrophobicContact CG1-CD2 4.22Å; V101-F103 HydrophobicContact CG1-CE2 3.7Å; V101-F103 HydrophobicContact CG2-CD2 3.92Å; V101-F103 HydrophobicContact CG2-CE1 4.44Å; V101-F103 HydrophobicContact CG2-CE2 3.53Å; V101-F103 HydrophobicContact CG2-CZ 3.82Å; F103-G105 PolarHBondContact O-N 2.81Å; F103-N106 HydrophobicContact CB-CB 4.21Å; F103-N106 WeakPolarHBondContact O-CB 3.41Å; F103-N106 PolarHBondContact O-N 3.01Å; F103-F137 HydrophobicContact CD2-CE1 4.47Å; F103-F137 HydrophobicContact CD2-CZ 4.01Å; F103-F137 HydrophobicContact CE2-CE1 4.09Å; F103-F137 AromaticContact CE2-CZ 3.68Å; F103-F137 HydrophobicContact CE2-CZ 3.68Å
104D97.4Very high97.9Very high113 Ų11352.3 Ų52.360%0.60427%0.274SS*.THydrogen-bonded Turntrans-56.4140.5177.3-170.726.3000111P68 S69 N106P68-D104 HydrophobicContact CB-CB 4.22Å; S69-D104 PolarHBondContact O-N 2.78Å; D104-N106 PolarHBondContact O-N 3.1Å; D104-N106 PolarHBondContact O-ND2 3.16Å
105G95.7Very high97.9Very high77 Ų7749.8 Ų49.879%0.79426%0.261SS*.THydrogen-bonded Turntrans68.31.6-172.400000116.2F103F103-G105 PolarHBondContact O-N 2.81Å
106N94.1Very high97.9Very high94 Ų9452.5 Ų52.550%0.50328%0.275SS..SBendtrans-120.9157.7-176.6-66.5-87000112.7F103 D104F103-N106 HydrophobicContact CB-CB 4.21Å; F103-N106 WeakPolarHBondContact O-CB 3.41Å; F103-N106 PolarHBondContact O-N 3.01Å; D104-N106 PolarHBondContact O-N 3.1Å; D104-N106 PolarHBondContact O-ND2 3.16Å
107K95.3Very high97.9Very high133 Ų13349.7 Ų49.758%0.57826%0.259SS*.  trans-66.2150.716967.4-179.8-178.41790110.3R109 D139K107-R109 HydrophobicContact CG-CG 4.17Å; K107-D139 IonicContact NZ-OD2 3.22Å
108Q97.6Very high97.8Very high103 Ų10349.9 Ų49.948%0.48126%0.26SS..  trans-63138.1169.4-176.6176.6-55.600110T100 V101 K102T100-Q108 HydrophobicContact CG2-CG 4.47Å; V101-Q108 WeakPolarHBondContact O-CA 3.46Å; K102-Q108 HydrophobicContact CB-CB 4.31Å; K102-Q108 HydrophobicContact CB-CG 4.49Å
109R97.6Very high97.8Very high47 Ų4749.3 Ų49.318%0.17726%0.257CS..EExtended strand (participates in β ladder)trans-133.5154-179.1-62.7178.572.3168.49.1111.1T100 V101 K107 F137 D139T100-R109 CarbonylContact C-O 3.51Å; T100-R109 VanDerWaalsContact CA-O 3.24Å; T100-R109 WeakPolarHBondContact CA-O 3.35Å; V101-R109 PolarHBondContact N-O 2.76Å; V101-R109 PolarHBondContact O-N 3.44Å; K107-R109 HydrophobicContact CG-CG 4.17Å; R109-F137 HydrophobicContact CB-CD1 3.78Å; R109-F137 HydrophobicContact CB-CE1 3.98Å; R109-D139 IonicContact CZ-OD1 3.86Å; R109-D139 IonicContact NE-OD1 2.85Å; R109-D139 PolarHBondContact NE-OD1 2.98Å; R109-D139 IonicContact NE-OD2 2.75Å; R109-D139 VanDerWaalsContact NH2-CG 3.33Å; R109-D139 PolarHBondContact NH2-O 3.18Å; R109-D139 IonicContact NH2-OD1 3.2Å; R109-D139 PolarHBondContact NH2-OD1 3.49Å; R109-D139 IonicContact NH2-OD2 2.67Å
110Y98.3Very high97.6Very high136 Ų13652.3 Ų52.353%0.53327%0.271SS..EExtended strand (participates in β ladder)trans-81.3142.7169.6-66.9-83.8000110.5G99 T100 F137 Q138G99-Y110 VanDerWaalsContact O-CA 3.32Å; G99-Y110 WeakPolarHBondContact O-CA 3.45Å; T100-Y110 HydrophobicContact CG2-CD1 3.51Å; T100-Y110 HydrophobicContact CG2-CE1 3.44Å; T100-Y110 VanDerWaalsContact CG2-CE1 3.44Å; T100-Y110 HydrophobicContact CG2-CG 4.22Å; Y110-F137 WeakPolarHBondContact O-CA 3.42Å; Y110-Q138 PolarHBondContact O-N 2.91Å
111F98.6Very high97.1Very high0 Ų056.5 Ų56.50%031%0.306CS..EExtended strand (participates in β ladder)trans-134.3157.4177.279.8-84.6000111.3Y27 F72 C98 G99 T100 V101 Q113 F135 R136 F137Y27-F111 HydrophobicContact CE1-CE2 4.25Å; Y27-F111 HydrophobicContact CE1-CZ 4Å; Y27-F111 AromaticContact CZ-CZ 3.95Å; Y27-F111 VanDerWaalsContact OH-CE2 3.26Å; Y27-F111 WeakPolarHBondContact OH-CE2 3.29Å; F72-F111 HydrophobicContact CD1-CD1 4.22Å; F72-F111 AromaticContact CD1-CE1 3.54Å; F72-F111 HydrophobicContact CD1-CE1 3.54Å; F72-F111 HydrophobicContact CD1-CE2 4.34Å; F72-F111 AromaticContact CD1-CZ 3.61Å; F72-F111 HydrophobicContact CD1-CZ 3.61Å; F72-F111 HydrophobicContact CE1-CD1 4.24Å; F72-F111 HydrophobicContact CE1-CD2 4.46Å; F72-F111 AromaticContact CE1-CE1 3.93Å; F72-F111 HydrophobicContact CE1-CE1 3.93Å; F72-F111 HydrophobicContact CE1-CE2 4.18Å; F72-F111 AromaticContact CE1-CZ 3.9Å; F72-F111 HydrophobicContact CE1-CZ 3.9Å; C98-F111 WeakPolarHBondContact CA-O 3.27Å; G99-F111 PolarHBondContact N-O 3.42Å; G99-F111 WeakPolarHBondContact O-CD1 3.48Å; G99-F111 PolarHBondContact O-N 3.44Å; T100-F111 WeakPolarHBondContact O-CE1 3.49Å; V101-F111 HydrophobicContact CB-CD1 4.12Å; V101-F111 HydrophobicContact CB-CE1 4.47Å; V101-F111 HydrophobicContact CG1-CB 4.4Å; V101-F111 HydrophobicContact CG1-CD1 4Å; V101-F111 HydrophobicContact CG1-CG 4.44Å; F111-Q113 HydrophobicContact CD2-CB 3.88Å; F111-Q113 HydrophobicContact CE2-CB 3.76Å; F111-F135 HydrophobicContact CB-CD2 4.45Å; F111-F135 HydrophobicContact CB-CE1 4.48Å; F111-F135 HydrophobicContact CB-CE2 3.52Å; F111-F135 HydrophobicContact CB-CZ 3.53Å; F111-F135 HydrophobicContact CD1-CE2 4.44Å; F111-F135 AromaticContact CD2-CD2 3.88Å; F111-F135 HydrophobicContact CD2-CD2 3.88Å; F111-F135 AromaticContact CD2-CE2 3.42Å; F111-F135 HydrophobicContact CD2-CE2 3.42Å; F111-F135 VanDerWaalsContact CD2-CE2 3.42Å; F111-F135 HydrophobicContact CD2-CZ 4.32Å; F111-F135 HydrophobicContact CE2-CE2 4.27Å; F111-F135 HydrophobicContact CG-CD2 4.41Å; F111-F135 AromaticContact CG-CE2 3.54Å; F111-F135 HydrophobicContact CG-CE2 3.54Å; F111-F135 HydrophobicContact CG-CZ 4.04Å; F111-R136 WeakPolarHBondContact CA-O 3.27Å; F111-F137 HydrophobicContact CB-CD1 4.37Å
112N98.6Very high96.5Very high70 Ų7059 Ų5937%0.37432%0.322SS..EExtended strand (participates in β ladder)trans-120.4137.9160.4-62-67.2000108T97 C98 R136 Q138T97-N112 WeakPolarHBondContact O-CA 3.46Å; C98-N112 WeakPolarHBondContact CB-OD1 3.32Å; N112-R136 PolarHBondContact N-O 2.84Å; N112-R136 PolarHBondContact O-N 2.89Å; N112-Q138 WeakPolarHBondContact ND2-CG 3.36Å
113Q98.9Very high95.9Very high0 Ų061.1 Ų61.10%035%0.346CS..EExtended strand (participates in β ladder)trans-138.3135.8174.8-168.4170.610.300110.1Y26 Y27 T97 F111 F115 D133 C134 F135Y26-Q113 PolarHBondContact OH-NE2 3.16Å; Y26-Q113 VanDerWaalsContact OH-NE2 3.14Å; Y27-Q113 PolarHBondContact OH-OE1 2.95Å; T97-Q113 PolarHBondContact N-O 3.08Å; T97-Q113 PolarHBondContact O-N 3.19Å; T97-Q113 PolarHBondContact OG1-O 3.49Å; F111-Q113 HydrophobicContact CD2-CB 3.88Å; F111-Q113 HydrophobicContact CE2-CB 3.76Å; Q113-F115 HydrophobicContact CB-CE2 4.34Å; Q113-F115 HydrophobicContact CB-CZ 4.4Å; Q113-F115 HydrophobicContact CG-CE1 3.97Å; Q113-F115 HydrophobicContact CG-CE2 3.79Å; Q113-F115 HydrophobicContact CG-CZ 3.5Å; Q113-F115 VanDerWaalsContact CG-CZ 3.5Å; Q113-D133 WeakPolarHBondContact CG-OD1 3.42Å; Q113-D133 VanDerWaalsContact NE2-CG 3.31Å; Q113-D133 PolarHBondContact NE2-OD1 2.94Å; Q113-D133 PolarHBondContact NE2-OD2 2.93Å; Q113-D133 VanDerWaalsContact NE2-OD2 3.1Å; Q113-C134 VanDerWaalsContact CA-O 3.26Å; Q113-C134 WeakPolarHBondContact CA-O 3.18Å; Q113-F135 HydrophobicContact CB-CD2 4.06Å; Q113-F135 HydrophobicContact CG-CB 4.08Å; Q113-F135 HydrophobicContact CG-CD2 4.15Å
114N98.8Very high95.2Very high60 Ų6066.9 Ų66.932%0.32138%0.382SS..EExtended strand (participates in β ladder)trans-125.2144.6173.862.192.8000111V95 V96 C134V95-N114 CarbonylContact O-C 2.92Å; V95-N114 WeakPolarHBondContact O-CA 3.26Å; V96-N114 HydrophobicContact CG2-CB 4.15Å; N114-C134 PolarHBondContact N-O 3.2Å; N114-C134 PolarHBondContact ND2-O 3.23Å; N114-C134 PolarHBondContact O-N 3.16Å
115F98.9Very high94.6Very high0 Ų066.9 Ų66.90%038%0.382CS..EExtended strand (participates in β ladder)trans-127.1141.5-178.3-52.4-87.6000109.9F22 Y26 L94 V95 Q113 L117 I130 S132 D133F22-F115 HydrophobicContact CE1-CB 4.26Å; F22-F115 HydrophobicContact CE1-CD1 4.09Å; F22-F115 AromaticContact CE1-CD2 3.73Å; F22-F115 HydrophobicContact CE1-CD2 3.73Å; F22-F115 HydrophobicContact CE1-CE1 4.31Å; F22-F115 AromaticContact CE1-CE2 3.98Å; F22-F115 HydrophobicContact CE1-CE2 3.98Å; F22-F115 AromaticContact CE1-CG 3.77Å; F22-F115 HydrophobicContact CE1-CG 3.77Å; F22-F115 HydrophobicContact CE1-CZ 4.23Å; F22-F115 AromaticContact CZ-CD1 3.99Å; F22-F115 HydrophobicContact CZ-CD1 3.99Å; F22-F115 HydrophobicContact CZ-CD2 4.45Å; F22-F115 HydrophobicContact CZ-CE1 4.21Å; F22-F115 HydrophobicContact CZ-CG 4.09Å; Y26-F115 HydrophobicContact CD1-CE1 4.29Å; Y26-F115 AromaticContact CD1-CZ 3.79Å; Y26-F115 HydrophobicContact CD1-CZ 3.79Å; Y26-F115 HydrophobicContact CD2-CE1 4.24Å; Y26-F115 HydrophobicContact CD2-CZ 4.48Å; Y26-F115 AromaticContact CE1-CE1 3.87Å; Y26-F115 HydrophobicContact CE1-CE1 3.87Å; Y26-F115 AromaticContact CE1-CZ 3.55Å; Y26-F115 HydrophobicContact CE1-CZ 3.55Å; Y26-F115 AromaticContact CE2-CE1 3.79Å; Y26-F115 HydrophobicContact CE2-CE1 3.79Å; Y26-F115 HydrophobicContact CE2-CZ 4.26Å; Y26-F115 HydrophobicContact CG-CE1 4.46Å; Y26-F115 HydrophobicContact CG-CZ 4.26Å; Y26-F115 AromaticContact CZ-CE1 3.59Å; Y26-F115 AromaticContact CZ-CZ 3.8Å; L94-F115 WeakPolarHBondContact CA-O 3.48Å; V95-F115 HydrophobicContact CB-CB 4.37Å; V95-F115 HydrophobicContact CB-CD2 4.4Å; V95-F115 HydrophobicContact CG1-CD2 4.41Å; V95-F115 PolarHBondContact N-O 3.46Å; V95-F115 PolarHBondContact O-N 2.96Å; Q113-F115 HydrophobicContact CB-CE2 4.34Å; Q113-F115 HydrophobicContact CB-CZ 4.4Å; Q113-F115 HydrophobicContact CG-CE1 3.97Å; Q113-F115 HydrophobicContact CG-CE2 3.79Å; Q113-F115 HydrophobicContact CG-CZ 3.5Å; Q113-F115 VanDerWaalsContact CG-CZ 3.5Å; F115-L117 HydrophobicContact CB-CD2 3.96Å; F115-L117 HydrophobicContact CB-CG 4.39Å; F115-I130 HydrophobicContact CD1-CD1 4.32Å; F115-I130 HydrophobicContact CD1-CG1 4.43Å; F115-I130 HydrophobicContact CD1-CG2 4.33Å; F115-S132 CarbonylContact C-O 3.58Å; F115-S132 WeakPolarHBondContact CA-O 3.5Å; F115-D133 HydrophobicContact CD1-CB 4.11Å; F115-D133 HydrophobicContact CE1-CB 4.41Å; F115-D133 WeakPolarHBondContact CE1-OD1 3.3Å; F115-D133 WeakPolarHBondContact CE1-OD2 3.48Å
116L98.6Very high94.2Very high56 Ų5666.2 Ų66.229%0.29336%0.363SS..EExtended strand (participates in β ladder)trans-103106163.3-162.772000108V82 T92 A131 S132V82-L116 HydrophobicContact CG2-CD1 3.88Å; T92-L116 HydrophobicContact CG2-CD1 3.54Å; T92-L116 HydrophobicContact CG2-CD2 4.2Å; T92-L116 HydrophobicContact CG2-CG 3.59Å; L116-A131 PolarHBondContact O-N 3.46Å; L116-S132 PolarHBondContact N-O 2.87Å; L116-S132 PolarHBondContact O-N 3.36Å
117L98.6Very high94.2Very high0 Ų064.6 Ų64.60%036%0.356CS..EExtended strand (participates in β ladder)trans-94.2138.6179.6-54.7-176.3000110.2F22 T92 V93 V95 F115 W128 K129 I130F22-L117 HydrophobicContact CB-CD1 3.77Å; F22-L117 HydrophobicContact CD1-CD1 3.68Å; F22-L117 HydrophobicContact CD1-CD2 4.05Å; F22-L117 HydrophobicContact CD1-CG 4.41Å; F22-L117 HydrophobicContact CD2-CD1 3.95Å; F22-L117 HydrophobicContact CD2-CD2 3.79Å; F22-L117 HydrophobicContact CE1-CD1 4.29Å; F22-L117 HydrophobicContact CE1-CD2 3.83Å; F22-L117 HydrophobicContact CE2-CD2 3.56Å; F22-L117 HydrophobicContact CG-CD1 3.49Å; F22-L117 VanDerWaalsContact CG-CD1 3.49Å; F22-L117 HydrophobicContact CG-CD2 4.03Å; F22-L117 HydrophobicContact CG-CG 4.4Å; F22-L117 HydrophobicContact CZ-CD2 3.59Å; T92-L117 CarbonylContact C-O 3.49Å; T92-L117 WeakPolarHBondContact CA-O 3.26Å; T92-L117 WeakPolarHBondContact CG2-O 3.17Å; V93-L117 HydrophobicContact CB-CB 4.49Å; V93-L117 PolarHBondContact N-O 2.95Å; V93-L117 PolarHBondContact O-N 3.34Å; V95-L117 HydrophobicContact CG2-CD1 3.62Å; V95-L117 HydrophobicContact CG2-CG 4.05Å; F115-L117 HydrophobicContact CB-CD2 3.96Å; F115-L117 HydrophobicContact CB-CG 4.39Å; L117-W128 HydrophobicContact CB-CE3 3.88Å; L117-K129 CarbonylContact C-O 3.49Å; L117-K129 WeakPolarHBondContact CA-O 3.37Å; L117-I130 HydrophobicContact CD2-CG1 3.82Å
118T97.7Very high94.2Very high5 Ų560.2 Ų60.23%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-120.8137.6174.363.90000110.5L42 Q90 T92 Q120 K129 A131L42-T118 WeakPolarHBondContact CD1-OG1 3.25Å; Q90-T118 HydrophobicContact CG-CG2 4.5Å; Q90-T118 PolarHBondContact NE2-OG1 3Å; T92-T118 HydrophobicContact CG2-CG2 4.27Å; T118-Q120 PolarHBondContact OG1-NE2 3.36Å; T118-K129 PolarHBondContact N-O 2.8Å; T118-K129 PolarHBondContact O-N 3.01Å; T118-K129 PolarHBondContact OG1-O 2.93Å; T118-A131 HydrophobicContact CG2-CB 3.77Å
119A96.7Very high94.3Very high20 Ų2058.1 Ų58.117%0.16533%0.325CS..EExtended strand (participates in β ladder)trans-70.2132.4173.600000110T91 T126 W128T91-A119 HydrophobicContact CG2-CB 4.31Å; T91-A119 PolarHBondContact O-N 3.28Å; A119-T126 HydrophobicContact CB-CG2 3.7Å; A119-W128 HydrophobicContact CB-CE3 4.23Å; A119-W128 HydrophobicContact CB-CH2 4.14Å; A119-W128 HydrophobicContact CB-CZ2 4.41Å; A119-W128 HydrophobicContact CB-CZ3 4.03Å
120Q94.5Very high94.3Very high62 Ų6255.9 Ų55.929%0.2932%0.317SS..EExtended strand (participates in β ladder)trans-118.4115.2172.7-61.2-65-49.500107.8L42 T118 T122 V127 K129L42-Q120 HydrophobicContact CD2-CG 4.05Å; T118-Q120 PolarHBondContact OG1-NE2 3.36Å; Q120-T122 PolarHBondContact O-N 2.79Å; Q120-V127 HydrophobicContact CB-CG2 3.8Å; Q120-V127 WeakPolarHBondContact CB-O 3.42Å; Q120-V127 PolarHBondContact N-O 3.48Å; Q120-V127 PolarHBondContact O-N 3.05Å; Q120-K129 HydrophobicContact CG-CB 4.12Å; Q120-K129 HydrophobicContact CG-CD 4.2Å; Q120-K129 HydrophobicContact CG-CG 4.11Å
121A88.9Confident94.3Very high96 Ų9650.6 Ų50.679%0.79330%0.301SS*.EExtended strand (participates in β ladder)trans-70127.317600000109.6
122T84.5Confident94.3Very high53 Ų5352.5 Ų52.533%0.32532%0.315SS..  trans-111.9164.7166.275.10000108.6Q120 T124 N125 V127Q120-T122 PolarHBondContact O-N 2.79Å; T122-T124 PolarHBondContact O-N 3.03Å; T122-N125 WeakPolarHBondContact CA-O 3.4Å; T122-N125 WeakPolarHBondContact CB-O 3.38Å; T122-N125 PolarHBondContact N-O 2.87Å; T122-N125 PolarHBondContact OG1-N 2.98Å; T122-N125 PolarHBondContact OG1-O 3Å; T122-V127 HydrophobicContact CG2-CG1 4.02Å; T122-V127 HydrophobicContact CG2-CG2 3.85Å
123P85.8Confident94.3Very high143 Ų14349.1 Ų49.193%0.92930%0.297SS*.SBendtrans-57.2-23.8179.9-27.336.1000114.7
124T83.9Confident94.3Very high136 Ų13650.9 Ų50.983%0.83431%0.308SS*.SBendtrans-117.8-22.1-173.254.10000114.1T122T122-T124 PolarHBondContact O-N 3.03Å
125N84.8Confident94.3Very high114 Ų11448 Ų4861%0.6129%0.293SS*.  trans-157.6172.3-178.4-155.5-0.2000112.8T122T122-N125 WeakPolarHBondContact CA-O 3.4Å; T122-N125 WeakPolarHBondContact CB-O 3.38Å; T122-N125 PolarHBondContact N-O 2.87Å; T122-N125 PolarHBondContact OG1-N 2.98Å; T122-N125 PolarHBondContact OG1-O 3Å
126T87.8Confident94.3Very high62 Ų6252.3 Ų52.338%0.3831%0.309SS..EExtended strand (participates in β ladder)trans-92.8131.1164.2-60.70000109.4A119A119-T126 HydrophobicContact CB-CG2 3.7Å
127V92.9Very high94.3Very high60 Ų6050.7 Ų50.736%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-113.4140.2170.9-58.30000109.7Q120 T122Q120-V127 HydrophobicContact CB-CG2 3.8Å; Q120-V127 WeakPolarHBondContact CB-O 3.42Å; Q120-V127 PolarHBondContact N-O 3.48Å; Q120-V127 PolarHBondContact O-N 3.05Å; T122-V127 HydrophobicContact CG2-CG1 4.02Å; T122-V127 HydrophobicContact CG2-CG2 3.85Å
128W97.1Very high94.2Very high42 Ų4255.5 Ų55.516%0.15932%0.323CS..EExtended strand (participates in β ladder)trans-95.6128178.7-67.392.3000110Q14 A18 T91 V93 L117 A119Q14-W128 HydrophobicContact CG-CZ2 4.12Å; A18-W128 HydrophobicContact CB-CD2 3.89Å; A18-W128 HydrophobicContact CB-CG 4.19Å; A18-W128 HydrophobicContact CB-CH2 4.34Å; A18-W128 HydrophobicContact CB-CZ2 3.63Å; T91-W128 HydrophobicContact CG2-CH2 3.87Å; V93-W128 HydrophobicContact CB-CZ3 4.16Å; V93-W128 HydrophobicContact CG2-CE3 4.48Å; V93-W128 HydrophobicContact CG2-CH2 3.47Å; V93-W128 VanDerWaalsContact CG2-CH2 3.47Å; V93-W128 HydrophobicContact CG2-CZ2 4.36Å; V93-W128 HydrophobicContact CG2-CZ3 3.56Å; L117-W128 HydrophobicContact CB-CE3 3.88Å; A119-W128 HydrophobicContact CB-CE3 4.23Å; A119-W128 HydrophobicContact CB-CH2 4.14Å; A119-W128 HydrophobicContact CB-CZ2 4.41Å; A119-W128 HydrophobicContact CB-CZ3 4.03Å
129K98.1Very high93.9Very high58 Ų5857.6 Ų57.625%0.25233%0.334SS..EExtended strand (participates in β ladder)trans-124.2146.1177.8-73.2-162.9168.1-1600112.2R39 L40 L42 L117 T118 Q120 A131R39-K129 WeakPolarHBondContact O-CE 3.42Å; R39-K129 PolarHBondContact O-NZ 2.63Å; L40-K129 CarbonylContact O-C 3.57Å; L40-K129 VanDerWaalsContact O-CA 3.22Å; L40-K129 WeakPolarHBondContact O-CA 3.39Å; L42-K129 HydrophobicContact CD2-CB 3.65Å; L42-K129 HydrophobicContact CD2-CD 3.79Å; L42-K129 HydrophobicContact CD2-CG 4.34Å; L42-K129 HydrophobicContact CG-CB 3.94Å; L117-K129 CarbonylContact C-O 3.49Å; L117-K129 WeakPolarHBondContact CA-O 3.37Å; T118-K129 PolarHBondContact N-O 2.8Å; T118-K129 PolarHBondContact O-N 3.01Å; T118-K129 PolarHBondContact OG1-O 2.93Å; Q120-K129 HydrophobicContact CG-CB 4.12Å; Q120-K129 HydrophobicContact CG-CD 4.2Å; Q120-K129 HydrophobicContact CG-CG 4.11Å; K129-A131 PolarHBondContact O-N 2.81Å
130I98.8Very high93.1Very high0 Ų064 Ų640%035%0.354CS..EExtended strand (participates in β ladder)trans-75.8119.5-178.8-54.9161.5000109.1F22 Y26 L40 Y41 L42 A45 F115 L117 S132 D133F22-I130 HydrophobicContact CE2-CD1 3.79Å; F22-I130 HydrophobicContact CE2-CG1 3.58Å; F22-I130 HydrophobicContact CZ-CD1 3.63Å; F22-I130 HydrophobicContact CZ-CG1 3.58Å; Y26-I130 HydrophobicContact CD2-CD1 3.77Å; Y26-I130 HydrophobicContact CE2-CD1 3.65Å; L40-I130 HydrophobicContact CB-CD1 4.16Å; L40-I130 PolarHBondContact O-N 3.01Å; Y41-I130 HydrophobicContact CD1-CB 3.73Å; Y41-I130 HydrophobicContact CD1-CD1 4.03Å; Y41-I130 HydrophobicContact CD1-CG2 3.67Å; Y41-I130 HydrophobicContact CD2-CD1 3.82Å; Y41-I130 HydrophobicContact CE1-CB 4.01Å; Y41-I130 HydrophobicContact CE1-CD1 3.75Å; Y41-I130 HydrophobicContact CE1-CG2 3.62Å; Y41-I130 HydrophobicContact CE2-CD1 3.52Å; Y41-I130 HydrophobicContact CG-CB 4.08Å; Y41-I130 HydrophobicContact CG-CD1 4.06Å; Y41-I130 VanDerWaalsContact CZ-CD1 3.46Å; L42-I130 PolarHBondContact N-O 3.38Å; A45-I130 VanDerWaalsContact CB-O 3.23Å; A45-I130 WeakPolarHBondContact CB-O 3.41Å; F115-I130 HydrophobicContact CD1-CD1 4.32Å; F115-I130 HydrophobicContact CD1-CG1 4.43Å; F115-I130 HydrophobicContact CD1-CG2 4.33Å; L117-I130 HydrophobicContact CD2-CG1 3.82Å; I130-S132 WeakPolarHBondContact CG2-O 3.26Å; I130-D133 HydrophobicContact CG2-CB 4.01Å
131A98.2Very high92.4Very high25 Ų2565 Ų6521%0.20737%0.372CS..EExtended strand (participates in β ladder)trans-90.2-36.2168.900000111.6L42 A45 T46 L116 T118 K129L42-A131 HydrophobicContact CD1-CB 3.9Å; A45-A131 VanDerWaalsContact CA-O 3.31Å; A45-A131 WeakPolarHBondContact CA-O 3.39Å; T46-A131 PolarHBondContact N-O 2.67Å; L116-A131 PolarHBondContact O-N 3.46Å; T118-A131 HydrophobicContact CG2-CB 3.77Å; K129-A131 PolarHBondContact O-N 2.81Å
132S98.6Very high91.1Very high40 Ų4066.8 Ų66.828%0.2838%0.379SS..EExtended strand (participates in β ladder)trans-143.5141.9178.3-173.40000110.4T46 F115 L116 I130T46-S132 CarbonylContact O-C 3.51Å; T46-S132 WeakPolarHBondContact O-CA 3.17Å; F115-S132 CarbonylContact C-O 3.58Å; F115-S132 WeakPolarHBondContact CA-O 3.5Å; L116-S132 PolarHBondContact N-O 2.87Å; L116-S132 PolarHBondContact O-N 3.36Å; I130-S132 WeakPolarHBondContact CG2-O 3.26Å
133D98.9Very high91.4Very high0 Ų067.5 Ų67.50%038%0.381CS..EExtended strand (participates in β ladder)trans-134.9136.3177-175.7-4.2000109.6Y26 Y41 T46 L47 V48 Q113 F115 I130Y26-D133 PolarHBondContact OH-OD2 2.9Å; Y41-D133 HydrophobicContact CE1-CB 3.87Å; Y41-D133 PolarHBondContact OH-OD2 3.42Å; T46-D133 PolarHBondContact O-N 2.66Å; L47-D133 CarbonylContact C-O 3.55Å; L47-D133 VanDerWaalsContact CA-O 3.28Å; L47-D133 WeakPolarHBondContact CA-O 3.4Å; L47-D133 HydrophobicContact CB-CB 4.41Å; L47-D133 HydrophobicContact CD1-CB 3.81Å; L47-D133 VanDerWaalsContact CD1-CG 3.48Å; V48-D133 PolarHBondContact N-O 2.97Å; Q113-D133 WeakPolarHBondContact CG-OD1 3.42Å; Q113-D133 VanDerWaalsContact NE2-CG 3.31Å; Q113-D133 PolarHBondContact NE2-OD1 2.94Å; Q113-D133 PolarHBondContact NE2-OD2 2.93Å; Q113-D133 VanDerWaalsContact NE2-OD2 3.1Å; F115-D133 HydrophobicContact CD1-CB 4.11Å; F115-D133 HydrophobicContact CE1-CB 4.41Å; F115-D133 WeakPolarHBondContact CE1-OD1 3.3Å; F115-D133 WeakPolarHBondContact CE1-OD2 3.48Å; I130-D133 HydrophobicContact CG2-CB 4.01Å
134C98.8Very high91.7Very high36 Ų3663.5 Ų63.524%0.24335%0.353CS..EExtended strand (participates in β ladder)trans-138.2111.5175.4179.70000109.7V48 Q113 N114V48-C134 HydrophobicContact CB-CB 4.46Å; V48-C134 WeakPolarHBondContact O-CA 3.43Å; Q113-C134 VanDerWaalsContact CA-O 3.26Å; Q113-C134 WeakPolarHBondContact CA-O 3.18Å; N114-C134 PolarHBondContact N-O 3.2Å; N114-C134 PolarHBondContact ND2-O 3.23Å; N114-C134 PolarHBondContact O-N 3.16Å
135F98.8Very high92.1Very high0 Ų059.4 Ų59.40%033%0.326CS..EExtended strand (participates in β ladder)trans-109136.5178.7177.4-84.3000110.5V48 W49 N50 F72 V101 F111 Q113 F137V48-F135 PolarHBondContact O-N 2.75Å; W49-F135 HydrophobicContact CD2-CB 3.99Å; W49-F135 AromaticContact CD2-CD1 3.54Å; W49-F135 HydrophobicContact CD2-CD1 3.54Å; W49-F135 HydrophobicContact CD2-CE1 4.3Å; W49-F135 AromaticContact CD2-CG 3.92Å; W49-F135 HydrophobicContact CD2-CG 3.92Å; W49-F135 AromaticContact CE2-CD1 3.44Å; W49-F135 VanDerWaalsContact CE2-CD1 3.44Å; W49-F135 AromaticContact CE2-CE1 3.72Å; W49-F135 HydrophobicContact CE3-CB 3.44Å; W49-F135 VanDerWaalsContact CE3-CB 3.44Å; W49-F135 AromaticContact CE3-CD1 3.72Å; W49-F135 HydrophobicContact CE3-CD1 3.72Å; W49-F135 HydrophobicContact CE3-CD2 4.35Å; W49-F135 AromaticContact CE3-CG 3.57Å; W49-F135 HydrophobicContact CE3-CG 3.57Å; W49-F135 HydrophobicContact CG-CD1 4.23Å; W49-F135 HydrophobicContact CH2-CB 4.43Å; W49-F135 AromaticContact CH2-CD1 3.7Å; W49-F135 HydrophobicContact CH2-CD1 3.7Å; W49-F135 AromaticContact CH2-CD2 3.81Å; W49-F135 HydrophobicContact CH2-CD2 3.81Å; W49-F135 AromaticContact CH2-CE1 3.84Å; W49-F135 HydrophobicContact CH2-CE1 3.84Å; W49-F135 AromaticContact CH2-CE2 3.93Å; W49-F135 HydrophobicContact CH2-CE2 3.93Å; W49-F135 AromaticContact CH2-CG 3.7Å; W49-F135 HydrophobicContact CH2-CG 3.7Å; W49-F135 AromaticContact CH2-CZ 3.95Å; W49-F135 HydrophobicContact CH2-CZ 3.95Å; W49-F135 AromaticContact CZ2-CD1 3.54Å; W49-F135 HydrophobicContact CZ2-CD1 3.54Å; W49-F135 HydrophobicContact CZ2-CD2 4.43Å; W49-F135 AromaticContact CZ2-CE1 3.48Å; W49-F135 HydrophobicContact CZ2-CE1 3.48Å; W49-F135 VanDerWaalsContact CZ2-CE1 3.48Å; W49-F135 HydrophobicContact CZ2-CE2 4.37Å; W49-F135 HydrophobicContact CZ2-CG 4.06Å; W49-F135 AromaticContact CZ2-CZ 3.92Å; W49-F135 HydrophobicContact CZ2-CZ 3.92Å; W49-F135 HydrophobicContact CZ3-CB 3.7Å; W49-F135 AromaticContact CZ3-CD1 3.8Å; W49-F135 HydrophobicContact CZ3-CD1 3.8Å; W49-F135 AromaticContact CZ3-CD2 3.77Å; W49-F135 HydrophobicContact CZ3-CD2 3.77Å; W49-F135 HydrophobicContact CZ3-CE1 4.4Å; W49-F135 HydrophobicContact CZ3-CE2 4.36Å; W49-F135 AromaticContact CZ3-CG 3.45Å; W49-F135 HydrophobicContact CZ3-CG 3.45Å; W49-F135 VanDerWaalsContact CZ3-CG 3.45Å; N50-F135 PolarHBondContact N-O 3.35Å; F72-F135 AromaticContact CE1-CE2 3.9Å; F72-F135 HydrophobicContact CE1-CE2 3.9Å; F72-F135 HydrophobicContact CZ-CE2 4.2Å; V101-F135 HydrophobicContact CG1-CZ 4.15Å; F111-F135 HydrophobicContact CB-CD2 4.45Å; F111-F135 HydrophobicContact CB-CE1 4.48Å; F111-F135 HydrophobicContact CB-CE2 3.52Å; F111-F135 HydrophobicContact CB-CZ 3.53Å; F111-F135 HydrophobicContact CD1-CE2 4.44Å; F111-F135 AromaticContact CD2-CD2 3.88Å; F111-F135 HydrophobicContact CD2-CD2 3.88Å; F111-F135 AromaticContact CD2-CE2 3.42Å; F111-F135 HydrophobicContact CD2-CE2 3.42Å; F111-F135 VanDerWaalsContact CD2-CE2 3.42Å; F111-F135 HydrophobicContact CD2-CZ 4.32Å; F111-F135 HydrophobicContact CE2-CE2 4.27Å; F111-F135 HydrophobicContact CG-CD2 4.41Å; F111-F135 AromaticContact CG-CE2 3.54Å; F111-F135 HydrophobicContact CG-CE2 3.54Å; F111-F135 HydrophobicContact CG-CZ 4.04Å; Q113-F135 HydrophobicContact CB-CD2 4.06Å; Q113-F135 HydrophobicContact CG-CB 4.08Å; Q113-F135 HydrophobicContact CG-CD2 4.15Å; F135-F137 HydrophobicContact CE1-CD1 4.01Å; F135-F137 HydrophobicContact CE1-CD2 4.16Å; F135-F137 AromaticContact CE1-CE1 3.84Å; F135-F137 HydrophobicContact CE1-CE1 3.84Å; F135-F137 AromaticContact CE1-CE2 3.99Å; F135-F137 HydrophobicContact CE1-CE2 3.99Å; F135-F137 HydrophobicContact CE1-CG 4.16Å; F135-F137 AromaticContact CE1-CZ 3.83Å; F135-F137 HydrophobicContact CE1-CZ 3.83Å; F135-F137 AromaticContact CZ-CD1 3.96Å; F135-F137 HydrophobicContact CZ-CD1 3.96Å; F135-F137 AromaticContact CZ-CE1 3.65Å; F135-F137 HydrophobicContact CZ-CE1 3.65Å; F135-F137 HydrophobicContact CZ-CZ 4.01Å
136R98.5Very high92.6Very high90 Ų9056.2 Ų56.234%0.3431%0.309SS..EExtended strand (participates in β ladder)trans-148.5134.6173.5-177.8171.4-68.6-83.80.3112.1N50 F111 N112N50-R136 WeakPolarHBondContact OD1-CA 3.24Å; F111-R136 WeakPolarHBondContact CA-O 3.27Å; N112-R136 PolarHBondContact N-O 2.84Å; N112-R136 PolarHBondContact O-N 2.89Å
137F98.2Very high92.9Very high22 Ų2255.9 Ų55.910%0.09631%0.305CS..EExtended strand (participates in β ladder)trans-68.9141.1166.2-66.6-61.5000111.1N50 V101 F103 R109 Y110 F111 F135 D139 W140N50-F137 WeakPolarHBondContact ND2-CD2 3.46Å; N50-F137 WeakPolarHBondContact ND2-CE2 3.31Å; N50-F137 WeakPolarHBondContact OD1-CD2 3.44Å; N50-F137 PolarHBondContact OD1-N 2.9Å; V101-F137 HydrophobicContact CG1-CD1 4.47Å; V101-F137 HydrophobicContact CG1-CE1 3.64Å; F103-F137 HydrophobicContact CD2-CE1 4.47Å; F103-F137 HydrophobicContact CD2-CZ 4.01Å; F103-F137 HydrophobicContact CE2-CE1 4.09Å; F103-F137 AromaticContact CE2-CZ 3.68Å; F103-F137 HydrophobicContact CE2-CZ 3.68Å; R109-F137 HydrophobicContact CB-CD1 3.78Å; R109-F137 HydrophobicContact CB-CE1 3.98Å; Y110-F137 WeakPolarHBondContact O-CA 3.42Å; F111-F137 HydrophobicContact CB-CD1 4.37Å; F135-F137 HydrophobicContact CE1-CD1 4.01Å; F135-F137 HydrophobicContact CE1-CD2 4.16Å; F135-F137 AromaticContact CE1-CE1 3.84Å; F135-F137 HydrophobicContact CE1-CE1 3.84Å; F135-F137 AromaticContact CE1-CE2 3.99Å; F135-F137 HydrophobicContact CE1-CE2 3.99Å; F135-F137 HydrophobicContact CE1-CG 4.16Å; F135-F137 AromaticContact CE1-CZ 3.83Å; F135-F137 HydrophobicContact CE1-CZ 3.83Å; F135-F137 AromaticContact CZ-CD1 3.96Å; F135-F137 HydrophobicContact CZ-CD1 3.96Å; F135-F137 AromaticContact CZ-CE1 3.65Å; F135-F137 HydrophobicContact CZ-CE1 3.65Å; F135-F137 HydrophobicContact CZ-CZ 4.01Å; F137-D139 VanDerWaalsContact C-N 3.3Å; F137-D139 PolarHBondContact O-N 3.32Å; F137-W140 HydrophobicContact CB-CB 4.22Å; F137-W140 PolarHBondContact O-N 2.81Å
138Q96.5Very high92.9Very high102 Ų10255.6 Ų55.648%0.47730%0.301SS..THydrogen-bonded Turntrans-65.7-36.3177.7-66.9-171.34.400112Y110 N112Y110-Q138 PolarHBondContact O-N 2.91Å; N112-Q138 WeakPolarHBondContact ND2-CG 3.36Å
139D91.9Very high92.6Very high49 Ų4956.6 Ų56.626%0.26231%0.311SS..THydrogen-bonded Turntrans-100.933.8179.266.8-22.7000112.1K107 R109 F137 A141 S142K107-D139 IonicContact NZ-OD2 3.22Å; R109-D139 IonicContact CZ-OD1 3.86Å; R109-D139 IonicContact NE-OD1 2.85Å; R109-D139 PolarHBondContact NE-OD1 2.98Å; R109-D139 IonicContact NE-OD2 2.75Å; R109-D139 VanDerWaalsContact NH2-CG 3.33Å; R109-D139 PolarHBondContact NH2-O 3.18Å; R109-D139 IonicContact NH2-OD1 3.2Å; R109-D139 PolarHBondContact NH2-OD1 3.49Å; R109-D139 IonicContact NH2-OD2 2.67Å; F137-D139 VanDerWaalsContact C-N 3.3Å; F137-D139 PolarHBondContact O-N 3.32Å; D139-A141 PolarHBondContact O-N 2.91Å; D139-S142 WeakPolarHBondContact O-CB 3.35Å; D139-S142 PolarHBondContact O-N 2.88Å; D139-S142 PolarHBondContact O-OG 2.85Å
140W79.6Confident92.1Very high155 Ų15556.5 Ų56.559%0.58732%0.315SS*.THydrogen-bonded Turntrans-54.4-29.1-169.186.8-84.4000115F137 S142F137-W140 HydrophobicContact CB-CB 4.22Å; F137-W140 PolarHBondContact O-N 2.81Å; W140-S142 VanDerWaalsContact C-N 3.31Å
141A78.9Confident91.6Very high82 Ų8261.2 Ų61.268%0.67834%0.342SS*.THydrogen-bonded Turntrans-83.6-3.2-177.600000114.1D139D139-A141 PolarHBondContact O-N 2.91Å
142S62.3Low91Very high133 Ų13364.5 Ų64.593%0.9335%0.354SS*.  trans-104.40-171.9-50.40000113.6D139 W140D139-S142 WeakPolarHBondContact O-CB 3.35Å; D139-S142 PolarHBondContact O-N 2.88Å; D139-S142 PolarHBondContact O-OG 2.85Å; W140-S142 VanDerWaalsContact C-N 3.31Å

Retrieved 142 of 142 residues in 296.7 ms (Link to these results)

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