A0A093JA55_STRCA Loading...

Phospholipase B-like

Putative phospholipase.

AlphaFold DB , UniProt , Accession A0A093JA55, Species STRCA (Struthio camelus australis), Gene n/a, Length 517 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M91.1Very high91.9Very high97 Ų9756.2 Ų56.248%0.47828%0.284SS..  0127.90-74177.8126.600109Y3 F30 N32 I516M1-Y3 HydrophobicContact CB-CE2 3.9Å; M1-Y3 PolarHBondContact SD-OH 2.93Å; M1-F30 HydrophobicContact CE-CD2 3.73Å; M1-F30 HydrophobicContact CE-CE1 4.24Å; M1-F30 HydrophobicContact CE-CE2 3.39Å; M1-F30 HydrophobicContact CE-CG 4.33Å; M1-F30 HydrophobicContact CE-CZ 3.67Å; M1-N32 HydrophobicContact CE-CB 3.93Å; M1-N32 HydrophobicContact CG-CB 3.73Å; M1-N32 WeakPolarHBondContact CG-OD1 3.17Å; M1-I516 HydrophobicContact CE-CD1 4.03Å
2H95.6Very high90.9Very high120 Ų12062 Ų6256%0.55631%0.309SS*.EExtended strand (participates in β ladder)trans-106.1117.6175.3-61.6-75.4000108.8F30 Y31 L70H2-F30 CarbonylContact O-C 3.51Å; H2-F30 WeakPolarHBondContact O-CA 3.47Å; H2-F30 VanDerWaalsContact O-CB 3.3Å; H2-F30 WeakPolarHBondContact O-CB 3.43Å; H2-Y31 PolarHBondContact N-O 3.49Å; H2-Y31 PolarHBondContact O-N 3.36Å; H2-L70 HydrophobicContact CB-CD2 4.45Å
3Y97.9Very high90Very high87 Ų8770.4 Ų70.434%0.34134%0.343SS..EExtended strand (participates in β ladder)trans-98143.6177.8-61.8-84.6000110.1M1 N19 L21 G29 F30M1-Y3 HydrophobicContact CB-CE2 3.9Å; M1-Y3 PolarHBondContact SD-OH 2.93Å; Y3-N19 CarbonylContact O-C 3.53Å; Y3-N19 VanDerWaalsContact O-C 3.25Å; Y3-N19 WeakPolarHBondContact O-CA 3.41Å; Y3-L21 HydrophobicContact CD1-CB 3.83Å; Y3-L21 HydrophobicContact CD1-CD1 4.16Å; Y3-L21 HydrophobicContact CD1-CD2 4.06Å; Y3-L21 HydrophobicContact CD1-CG 4.24Å; Y3-L21 HydrophobicContact CE1-CD2 4.15Å; Y3-L21 HydrophobicContact CG-CB 4.13Å; Y3-G29 WeakPolarHBondContact CA-O 3.06Å; Y3-F30 HydrophobicContact CD1-CB 3.53Å; Y3-F30 HydrophobicContact CD1-CD1 4.37Å; Y3-F30 HydrophobicContact CD1-CG 4.33Å; Y3-F30 HydrophobicContact CE1-CB 3.7Å; Y3-F30 AromaticContact CE1-CD1 3.89Å; Y3-F30 HydrophobicContact CE1-CD1 3.89Å; Y3-F30 HydrophobicContact CE1-CG 4.03Å; Y3-F30 HydrophobicContact CG-CB 4.2Å
4A98.2Very high89.7Confident0 Ų069.3 Ų69.30%034%0.342CS..EExtended strand (participates in β ladder)trans-150.5157.616700000111.9I17 K18 T20 Y28 G29 L66 Y69 L70A4-I17 HydrophobicContact CB-CD1 3.87Å; A4-I17 HydrophobicContact CB-CG1 4.4Å; A4-K18 CarbonylContact C-O 3.57Å; A4-K18 WeakPolarHBondContact CA-O 3.36Å; A4-T20 CarbonylContact C-O 3.53Å; A4-T20 VanDerWaalsContact C-O 3.31Å; A4-Y28 WeakPolarHBondContact O-CA 3.29Å; A4-G29 PolarHBondContact N-O 2.87Å; A4-G29 VanDerWaalsContact N-O 3.1Å; A4-G29 PolarHBondContact O-N 3.29Å; A4-L66 HydrophobicContact CB-CD1 3.66Å; A4-Y69 HydrophobicContact CB-CD1 4.31Å; A4-Y69 HydrophobicContact CB-CE1 4.27Å; A4-L70 HydrophobicContact CB-CD2 3.78Å; A4-L70 HydrophobicContact CB-CG 4.31Å
5T98.5Very high89.7Confident0 Ų066.7 Ų66.70%033%0.33CS..EExtended strand (participates in β ladder)trans-136.2135.5179.2-57.80000109.6Y7 I17 K18 T20 D22 A27T5-Y7 HydrophobicContact CG2-CD2 4.3Å; T5-Y7 HydrophobicContact CG2-CE1 4.43Å; T5-Y7 HydrophobicContact CG2-CE2 3.61Å; T5-I17 WeakPolarHBondContact O-CA 3.32Å; T5-K18 PolarHBondContact N-O 2.65Å; T5-K18 PolarHBondContact O-N 3.38Å; T5-T20 WeakPolarHBondContact CB-O 3.11Å; T5-T20 PolarHBondContact N-O 3.13Å; T5-T20 PolarHBondContact OG1-O 3.03Å; T5-D22 HydrophobicContact CG2-CB 4.15Å; T5-D22 WeakPolarHBondContact CG2-O 3.36Å; T5-D22 PolarHBondContact OG1-N 2.84Å; T5-A27 CarbonylContact C-O 3.25Å; T5-A27 WeakPolarHBondContact CA-O 3.29Å
6V97.8Very high90Very high0 Ų068.8 Ų68.80%034%0.339CS..EExtended strand (participates in β ladder)trans-106.6136.2179.2172.70000109.2L15 Q16 I17 D26 A27 A62 F65 L66V6-L15 HydrophobicContact CG1-CB 4.21Å; V6-L15 HydrophobicContact CG1-CD1 3.86Å; V6-L15 HydrophobicContact CG1-CD2 3.19Å; V6-L15 HydrophobicContact CG1-CG 3.95Å; V6-Q16 CarbonylContact C-O 3.1Å; V6-Q16 WeakPolarHBondContact CA-O 3.21Å; V6-I17 HydrophobicContact CG2-CD1 3.44Å; V6-I17 VanDerWaalsContact CG2-CD1 3.44Å; V6-D26 PolarHBondContact O-N 2.62Å; V6-A27 HydrophobicContact CB-CB 4.27Å; V6-A27 PolarHBondContact N-O 3.5Å; V6-A27 PolarHBondContact O-N 2.94Å; V6-A62 HydrophobicContact CG1-CB 4.17Å; V6-F65 HydrophobicContact CG1-CD1 4.47Å; V6-F65 HydrophobicContact CG2-CD1 3.75Å; V6-F65 HydrophobicContact CG2-CE1 4.31Å; V6-L66 HydrophobicContact CG2-CB 3.84Å; V6-L66 HydrophobicContact CG2-CD1 4.02Å; V6-L66 HydrophobicContact CG2-CG 4.43Å
7Y96.5Very high90.4Very high37 Ų3766.8 Ų66.815%0.14533%0.329CS..EExtended strand (participates in β ladder)trans-120.5128.1173.5-58.5-96.9000109.4T5 L15 Q16 K18 D22 D26T5-Y7 HydrophobicContact CG2-CD2 4.3Å; T5-Y7 HydrophobicContact CG2-CE1 4.43Å; T5-Y7 HydrophobicContact CG2-CE2 3.61Å; Y7-L15 WeakPolarHBondContact O-CA 3.45Å; Y7-L15 WeakPolarHBondContact O-CD2 3.42Å; Y7-Q16 PolarHBondContact N-O 2.9Å; Y7-Q16 PolarHBondContact O-N 2.86Å; Y7-K18 HydrophobicContact CD2-CD 4.46Å; Y7-K18 HydrophobicContact CD2-CG 4.47Å; Y7-K18 HydrophobicContact CE2-CB 4.35Å; Y7-K18 HydrophobicContact CE2-CD 3.74Å; Y7-K18 HydrophobicContact CE2-CG 4.02Å; Y7-D22 WeakPolarHBondContact OH-CB 3.48Å; Y7-D22 PolarHBondContact OH-OD2 2.73Å; Y7-D26 WeakPolarHBondContact CA-OD2 3.33Å
8W91.6Very high90.8Very high30 Ų3068.9 Ų68.911%0.11434%0.337CS..EExtended strand (participates in β ladder)trans-88114.6177.8-172.9-91.6000110.5K10 L15 D26 Q52 L54 D58 Y61W8-K10 PolarHBondContact O-N 2.79Å; W8-L15 HydrophobicContact CB-CD2 4.01Å; W8-L15 HydrophobicContact CD2-CD2 4.06Å; W8-L15 HydrophobicContact CE3-CD1 4.27Å; W8-L15 HydrophobicContact CE3-CD2 3.24Å; W8-L15 HydrophobicContact CE3-CG 3.7Å; W8-L15 HydrophobicContact CG-CD2 4.42Å; W8-L15 HydrophobicContact CZ3-CD1 4.2Å; W8-L15 HydrophobicContact CZ3-CD2 3.93Å; W8-L15 HydrophobicContact CZ3-CG 3.84Å; W8-D26 HydrophobicContact CB-CB 4.33Å; W8-D26 PolarHBondContact N-OD2 3.35Å; W8-Q52 PolarHBondContact O-NE2 2.88Å; W8-L54 HydrophobicContact CB-CD1 4.08Å; W8-L54 HydrophobicContact CB-CD2 4.08Å; W8-L54 HydrophobicContact CG-CD1 4.45Å; W8-L54 HydrophobicContact CG-CD2 4.05Å; W8-D58 WeakPolarHBondContact CZ2-OD1 3.2Å; W8-Y61 HydrophobicContact CE3-CD1 4.38Å; W8-Y61 HydrophobicContact CH2-CD1 4.19Å; W8-Y61 HydrophobicContact CH2-CE1 4.32Å; W8-Y61 AromaticContact CZ3-CD1 3.47Å; W8-Y61 HydrophobicContact CZ3-CD1 3.47Å; W8-Y61 VanDerWaalsContact CZ3-CD1 3.47Å; W8-Y61 AromaticContact CZ3-CE1 3.71Å; W8-Y61 HydrophobicContact CZ3-CE1 3.71Å; W8-Y61 HydrophobicContact CZ3-CG 4.38Å
9N88.2Confident91.1Very high43 Ų4371.2 Ų71.223%0.2335%0.35CS..EExtended strand (participates in β ladder)trans-90.4100.6171.3-175.1-14.7000109.4A11 E12 K13 T14N9-A11 VanDerWaalsContact C-N 3.31Å; N9-A11 PolarHBondContact O-N 3Å; N9-A11 PolarHBondContact OD1-N 3.38Å; N9-A11 VanDerWaalsContact OD1-N 3.08Å; N9-E12 PolarHBondContact ND2-OE2 2.86Å; N9-E12 PolarHBondContact OD1-N 3.25Å; N9-K13 VanDerWaalsContact O-CA 3.29Å; N9-K13 WeakPolarHBondContact O-CA 3.35Å; N9-K13 PolarHBondContact O-N 3.42Å; N9-T14 WeakPolarHBondContact CB-O 3.23Å; N9-T14 PolarHBondContact N-O 2.92Å; N9-T14 PolarHBondContact O-N 2.73Å
10K77.4Confident91.4Very high109 Ų10971.5 Ų71.547%0.47436%0.356SS..THydrogen-bonded Turntrans-62-34.6-179.9-68.7-173.7178.9-178.80113.7W8 T53W8-K10 PolarHBondContact O-N 2.79Å; K10-T53 PolarHBondContact NZ-O 2.85Å
11A78.3Confident91.6Very high95 Ų9571.1 Ų71.179%0.78536%0.355SS*.THydrogen-bonded Turntrans-70-41.3-17500000111.4N9N9-A11 VanDerWaalsContact C-N 3.31Å; N9-A11 PolarHBondContact O-N 3Å; N9-A11 PolarHBondContact OD1-N 3.38Å; N9-A11 VanDerWaalsContact OD1-N 3.08Å
12E79.8Confident91.9Very high126 Ų12669.3 Ų69.359%0.58935%0.347SS*.THydrogen-bonded Turntrans-93.8-11.5-178.9-65.3175.7-178.900112.8N9 T14N9-E12 PolarHBondContact ND2-OE2 2.86Å; N9-E12 PolarHBondContact OD1-N 3.25Å; E12-T14 HydrophobicContact CB-CG2 3.94Å; E12-T14 WeakPolarHBondContact CB-OG1 3.47Å; E12-T14 PolarHBondContact O-N 2.64Å; E12-T14 PolarHBondContact OE2-OG1 2.8Å
13K79.4Confident92Very high171 Ų17170.1 Ų70.174%0.74335%0.346SS*.THydrogen-bonded Turntrans52.942-168.8-58.1-176177.8-176.60111.9N9N9-K13 VanDerWaalsContact O-CA 3.29Å; N9-K13 WeakPolarHBondContact O-CA 3.35Å; N9-K13 PolarHBondContact O-N 3.42Å
14T85.4Confident91.9Very high55 Ų5568.4 Ų68.434%0.33735%0.346SS..EExtended strand (participates in β ladder)trans-119.7154.4-179.357.10000110.9N9 E12N9-T14 WeakPolarHBondContact CB-O 3.23Å; N9-T14 PolarHBondContact N-O 2.92Å; N9-T14 PolarHBondContact O-N 2.73Å; E12-T14 HydrophobicContact CB-CG2 3.94Å; E12-T14 WeakPolarHBondContact CB-OG1 3.47Å; E12-T14 PolarHBondContact O-N 2.64Å; E12-T14 PolarHBondContact OE2-OG1 2.8Å
15L90.6Very high91.8Very high31 Ų3168.4 Ų68.416%0.16235%0.346CS..EExtended strand (participates in β ladder)trans-103137.2170.7-77.9179.4000110.4V6 Y7 W8 Y61 A62 F65V6-L15 HydrophobicContact CG1-CB 4.21Å; V6-L15 HydrophobicContact CG1-CD1 3.86Å; V6-L15 HydrophobicContact CG1-CD2 3.19Å; V6-L15 HydrophobicContact CG1-CG 3.95Å; Y7-L15 WeakPolarHBondContact O-CA 3.45Å; Y7-L15 WeakPolarHBondContact O-CD2 3.42Å; W8-L15 HydrophobicContact CB-CD2 4.01Å; W8-L15 HydrophobicContact CD2-CD2 4.06Å; W8-L15 HydrophobicContact CE3-CD1 4.27Å; W8-L15 HydrophobicContact CE3-CD2 3.24Å; W8-L15 HydrophobicContact CE3-CG 3.7Å; W8-L15 HydrophobicContact CG-CD2 4.42Å; W8-L15 HydrophobicContact CZ3-CD1 4.2Å; W8-L15 HydrophobicContact CZ3-CD2 3.93Å; W8-L15 HydrophobicContact CZ3-CG 3.84Å; L15-Y61 HydrophobicContact CD1-CD1 3.82Å; L15-Y61 HydrophobicContact CD1-CE1 3.55Å; L15-Y61 HydrophobicContact CG-CE1 4.32Å; L15-A62 HydrophobicContact CD2-CB 4.5Å; L15-F65 HydrophobicContact CB-CD2 4.44Å; L15-F65 HydrophobicContact CB-CE1 4.44Å; L15-F65 HydrophobicContact CB-CE2 4.26Å; L15-F65 HydrophobicContact CB-CZ 4.26Å; L15-F65 HydrophobicContact CD1-CB 3.51Å; L15-F65 HydrophobicContact CD1-CD1 3.91Å; L15-F65 HydrophobicContact CD1-CD2 3.49Å; L15-F65 VanDerWaalsContact CD1-CD2 3.49Å; L15-F65 HydrophobicContact CD1-CE2 4.14Å; L15-F65 HydrophobicContact CD1-CG 3.34Å
16Q94Very high91.7Very high100 Ų10068.4 Ų68.447%0.46735%0.347SS..EExtended strand (participates in β ladder)trans-110.1131.2168.7-65-174.51.400109.7V6 Y7V6-Q16 CarbonylContact C-O 3.1Å; V6-Q16 WeakPolarHBondContact CA-O 3.21Å; Y7-Q16 PolarHBondContact N-O 2.9Å; Y7-Q16 PolarHBondContact O-N 2.86Å
17I96.3Very high91.7Very high35 Ų3568.4 Ų68.418%0.17935%0.347CS..EExtended strand (participates in β ladder)trans-106.2136.5178.3-170.574000110.3A4 T5 V6 F65 L66 Y69A4-I17 HydrophobicContact CB-CD1 3.87Å; A4-I17 HydrophobicContact CB-CG1 4.4Å; T5-I17 WeakPolarHBondContact O-CA 3.32Å; V6-I17 HydrophobicContact CG2-CD1 3.44Å; V6-I17 VanDerWaalsContact CG2-CD1 3.44Å; I17-F65 HydrophobicContact CB-CE1 4.28Å; I17-F65 HydrophobicContact CD1-CE1 4.42Å; I17-L66 HydrophobicContact CD1-CD1 3.96Å; I17-Y69 HydrophobicContact CD1-CD1 3.93Å; I17-Y69 HydrophobicContact CD1-CE1 4.26Å; I17-Y69 HydrophobicContact CD1-CG 4.24Å; I17-Y69 HydrophobicContact CG1-CD1 3.83Å; I17-Y69 HydrophobicContact CG1-CD2 4.29Å; I17-Y69 HydrophobicContact CG1-CE1 3.71Å; I17-Y69 HydrophobicContact CG1-CE2 4.19Å; I17-Y69 HydrophobicContact CG1-CG 4.11Å; I17-Y69 HydrophobicContact CG2-CE2 4.15Å
18K97.1Very high91.8Very high105 Ų10566.9 Ų66.946%0.45734%0.341SS..EExtended strand (participates in β ladder)trans-126134170-63.3-174.1-175.2170.20109.5A4 T5 Y7 T20A4-K18 CarbonylContact C-O 3.57Å; A4-K18 WeakPolarHBondContact CA-O 3.36Å; T5-K18 PolarHBondContact N-O 2.65Å; T5-K18 PolarHBondContact O-N 3.38Å; Y7-K18 HydrophobicContact CD2-CD 4.46Å; Y7-K18 HydrophobicContact CD2-CG 4.47Å; Y7-K18 HydrophobicContact CE2-CB 4.35Å; Y7-K18 HydrophobicContact CE2-CD 3.74Å; Y7-K18 HydrophobicContact CE2-CG 4.02Å; K18-T20 PolarHBondContact O-N 3.25Å
19N97Very high92.2Very high111 Ų11165.5 Ų65.559%0.59434%0.335SS*.SBendtrans-7947.7178.3-64.3-29.6000112.3Y3 Y69Y3-N19 CarbonylContact O-C 3.53Å; Y3-N19 VanDerWaalsContact O-C 3.25Å; Y3-N19 WeakPolarHBondContact O-CA 3.41Å; N19-Y69 WeakPolarHBondContact OD1-CE1 3.14Å; N19-Y69 PolarHBondContact OD1-OH 3.41Å
20T96.8Very high92.7Very high78 Ų7863.6 Ų63.648%0.47933%0.325SS..SBendtrans-138.6156.9177.752.50000108.8A4 T5 K18A4-T20 CarbonylContact C-O 3.53Å; A4-T20 VanDerWaalsContact C-O 3.31Å; T5-T20 WeakPolarHBondContact CB-O 3.11Å; T5-T20 PolarHBondContact N-O 3.13Å; T5-T20 PolarHBondContact OG1-O 3.03Å; K18-T20 PolarHBondContact O-N 3.25Å
21L97.1Very high93.7Very high64 Ų6458.7 Ų58.734%0.33530%0.304SS..  trans-90.3108.6172-174.469.6000108.9Y3 Y28 L517Y3-L21 HydrophobicContact CD1-CB 3.83Å; Y3-L21 HydrophobicContact CD1-CD1 4.16Å; Y3-L21 HydrophobicContact CD1-CD2 4.06Å; Y3-L21 HydrophobicContact CD1-CG 4.24Å; Y3-L21 HydrophobicContact CE1-CD2 4.15Å; Y3-L21 HydrophobicContact CG-CB 4.13Å; L21-Y28 HydrophobicContact CD1-CD2 3.77Å; L21-Y28 HydrophobicContact CD1-CG 4.39Å; L21-L517 HydrophobicContact CD1-CD2 4.35Å; L21-L517 HydrophobicContact CD2-CD2 3.92Å
22D97.4Very high94.6Very high58 Ų5856 Ų5631%0.3128%0.276SS..  trans-126.6115.8174.9-175.4-16.6000109.1T5 Y7 S24 G25T5-D22 HydrophobicContact CG2-CB 4.15Å; T5-D22 WeakPolarHBondContact CG2-O 3.36Å; T5-D22 PolarHBondContact OG1-N 2.84Å; Y7-D22 WeakPolarHBondContact OH-CB 3.48Å; Y7-D22 PolarHBondContact OH-OD2 2.73Å; D22-S24 PolarHBondContact O-N 2.96Å; D22-S24 WeakPolarHBondContact OD1-CB 3.48Å; D22-S24 PolarHBondContact OD1-N 2.85Å; D22-S24 PolarHBondContact OD1-OG 2.98Å; D22-S24 PolarHBondContact OD2-OG 2.87Å; D22-G25 PolarHBondContact O-N 3.13Å
23R96.1Very high95.4Very high137 Ų13753.2 Ų53.252%0.51727%0.265SS..THydrogen-bonded Turntrans-72.9-11.4-176.5-64.4-179.8179.2-122.9-9.9113G25 Y28 L517R23-G25 VanDerWaalsContact C-N 3.34Å; R23-Y28 HydrophobicContact CB-CE1 4.33Å; R23-Y28 HydrophobicContact CG-CE2 4.05Å; R23-L517 VanDerWaalsContact CZ-OXT 3.27Å; R23-L517 PolarHBondContact NH1-OXT 3.01Å; R23-L517 PolarHBondContact NH2-OXT 2.78Å
24S95.7Very high96.3Very high51 Ų5146.6 Ų46.636%0.35724%0.239SC..THydrogen-bonded Turntrans-81.9-13.5174.471.60000113.2D22 G50 S51D22-S24 PolarHBondContact O-N 2.96Å; D22-S24 WeakPolarHBondContact OD1-CB 3.48Å; D22-S24 PolarHBondContact OD1-N 2.85Å; D22-S24 PolarHBondContact OD1-OG 2.98Å; D22-S24 PolarHBondContact OD2-OG 2.87Å; S24-G50 CarbonylContact O-C 3.54Å; S24-G50 WeakPolarHBondContact O-CA 3.22Å; S24-S51 PolarHBondContact O-N 3.07Å; S24-S51 PolarHBondContact O-OG 2.89Å
25G96.6Very high96.8Very high0 Ų044 Ų440%022%0.223CC..SBendtrans-73.2163.2176.300000113.9D22 R23 G50D22-G25 PolarHBondContact O-N 3.13Å; R23-G25 VanDerWaalsContact C-N 3.34Å; G25-G50 VanDerWaalsContact O-CA 3.23Å; G25-G50 WeakPolarHBondContact O-CA 3.38Å
26D97.1Very high97.1Very high1 Ų147.8 Ų47.81%0.00524%0.24CC..SBendtrans-75.8-30.4-171.7-66.6-59.8000113.2V6 Y7 W8 A47 G48 Q52 L54V6-D26 PolarHBondContact O-N 2.62Å; Y7-D26 WeakPolarHBondContact CA-OD2 3.33Å; W8-D26 HydrophobicContact CB-CB 4.33Å; W8-D26 PolarHBondContact N-OD2 3.35Å; D26-A47 CarbonylContact O-C 3.43Å; D26-A47 WeakPolarHBondContact O-CA 3.1Å; D26-G48 PolarHBondContact O-N 3.09Å; D26-Q52 PolarHBondContact OD2-NE2 2.54Å; D26-L54 HydrophobicContact CB-CD1 3.59Å
27A98.3Very high97.3Very high0 Ų048 Ų480%025%0.248CC..EExtended strand (participates in β ladder)trans-142.6137.216300000109.9T5 V6 R46 A47 A62 L66T5-A27 CarbonylContact C-O 3.25Å; T5-A27 WeakPolarHBondContact CA-O 3.29Å; V6-A27 HydrophobicContact CB-CB 4.27Å; V6-A27 PolarHBondContact N-O 3.5Å; V6-A27 PolarHBondContact O-N 2.94Å; A27-R46 CarbonylContact C-O 3.31Å; A27-R46 VanDerWaalsContact CA-O 3.31Å; A27-R46 WeakPolarHBondContact CA-O 3.35Å; A27-A47 HydrophobicContact CB-CB 3.78Å; A27-A62 HydrophobicContact CB-CB 4.1Å; A27-L66 HydrophobicContact CB-CB 4.41Å; A27-L66 HydrophobicContact CB-CD2 4.2Å
28Y98.6Very high97.3Very high5 Ų548.1 Ų48.12%0.0225%0.251CS..EExtended strand (participates in β ladder)trans-145.6153.9-179.460.4-95.2000111.2A4 L21 R23 R46 L66 L517A4-Y28 WeakPolarHBondContact O-CA 3.29Å; L21-Y28 HydrophobicContact CD1-CD2 3.77Å; L21-Y28 HydrophobicContact CD1-CG 4.39Å; R23-Y28 HydrophobicContact CB-CE1 4.33Å; R23-Y28 HydrophobicContact CG-CE2 4.05Å; Y28-R46 HydrophobicContact CD2-CB 4.19Å; Y28-R46 HydrophobicContact CE1-CB 4.2Å; Y28-R46 HydrophobicContact CE2-CB 3.67Å; Y28-R46 HydrophobicContact CE2-CG 4.09Å; Y28-R46 PolarHBondContact N-O 3.2Å; Y28-R46 PolarHBondContact O-N 3.08Å; Y28-R46 PolarHBondContact OH-NE 2.86Å; Y28-L66 VanDerWaalsContact CA-CD2 3.45Å; Y28-L517 HydrophobicContact CD2-CD1 4.5Å
29G98.5Very high97.4Very high0 Ų043.1 Ų43.10%023%0.229CC..EExtended strand (participates in β ladder)trans175.4-171.4-171.900000114.1Y3 A4 E44Y3-G29 WeakPolarHBondContact CA-O 3.06Å; A4-G29 PolarHBondContact N-O 2.87Å; A4-G29 VanDerWaalsContact N-O 3.1Å; A4-G29 PolarHBondContact O-N 3.29Å; G29-E44 CarbonylContact C-O 3.56Å; G29-E44 WeakPolarHBondContact CA-O 3.47Å
30F98.7Very high97.4Very high4 Ų437.8 Ų37.82%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-145.7155.5172.268.6-97.8000112.5M1 H2 Y3 N32 V42 L43 E44 I516 L517M1-F30 HydrophobicContact CE-CD2 3.73Å; M1-F30 HydrophobicContact CE-CE1 4.24Å; M1-F30 HydrophobicContact CE-CE2 3.39Å; M1-F30 HydrophobicContact CE-CG 4.33Å; M1-F30 HydrophobicContact CE-CZ 3.67Å; H2-F30 CarbonylContact O-C 3.51Å; H2-F30 WeakPolarHBondContact O-CA 3.47Å; H2-F30 VanDerWaalsContact O-CB 3.3Å; H2-F30 WeakPolarHBondContact O-CB 3.43Å; Y3-F30 HydrophobicContact CD1-CB 3.53Å; Y3-F30 HydrophobicContact CD1-CD1 4.37Å; Y3-F30 HydrophobicContact CD1-CG 4.33Å; Y3-F30 HydrophobicContact CE1-CB 3.7Å; Y3-F30 AromaticContact CE1-CD1 3.89Å; Y3-F30 HydrophobicContact CE1-CD1 3.89Å; Y3-F30 HydrophobicContact CE1-CG 4.03Å; Y3-F30 HydrophobicContact CG-CB 4.2Å; F30-N32 HydrophobicContact CD2-CB 4.13Å; F30-N32 HydrophobicContact CE2-CB 4.07Å; F30-V42 HydrophobicContact CE2-CG1 4.44Å; F30-L43 WeakPolarHBondContact O-CA 3.18Å; F30-L43 WeakPolarHBondContact O-CD1 3.38Å; F30-E44 HydrophobicContact CD1-CB 4.3Å; F30-E44 HydrophobicContact CE1-CB 3.72Å; F30-E44 HydrophobicContact CE1-CG 4.49Å; F30-E44 HydrophobicContact CE2-CB 4.38Å; F30-E44 HydrophobicContact CZ-CB 3.76Å; F30-E44 PolarHBondContact N-O 3.35Å; F30-E44 PolarHBondContact O-N 3.08Å; F30-I516 HydrophobicContact CE1-CD1 3.81Å; F30-I516 HydrophobicContact CE1-CG1 3.68Å; F30-I516 HydrophobicContact CZ-CD1 3.8Å; F30-I516 HydrophobicContact CZ-CG1 3.83Å; F30-L517 HydrophobicContact CD1-CD1 3.98Å; F30-L517 HydrophobicContact CD1-CD2 4.12Å; F30-L517 HydrophobicContact CD1-CG 4.1Å; F30-L517 HydrophobicContact CE1-CD1 4.16Å; F30-L517 HydrophobicContact CE1-CD2 4.16Å; F30-L517 HydrophobicContact CE1-CG 3.89Å
31Y98.6Very high97.5Very high6 Ų634.1 Ų34.12%0.02418%0.178CC..EExtended strand (participates in β ladder)trans-114.2119.9161178.2-123.4000110.2H2 N33 L43 T71 H74 I226H2-Y31 PolarHBondContact N-O 3.49Å; H2-Y31 PolarHBondContact O-N 3.36Å; Y31-N33 HydrophobicContact CD1-CB 4.26Å; Y31-N33 HydrophobicContact CE1-CB 3.63Å; Y31-L43 HydrophobicContact CD2-CB 4.24Å; Y31-L43 HydrophobicContact CD2-CD1 4.43Å; Y31-T71 HydrophobicContact CD2-CG2 4.19Å; Y31-T71 HydrophobicContact CG-CG2 4.22Å; Y31-H74 AromaticContact CE1-CD2 3.67Å; Y31-H74 AromaticContact CZ-CD2 3.89Å; Y31-H74 PolarHBondContact OH-CD2 3.28Å; Y31-H74 VanDerWaalsContact OH-CD2 3.28Å; Y31-I226 HydrophobicContact CD2-CD1 4.34Å; Y31-I226 HydrophobicContact CE2-CD1 3.6Å; Y31-I226 HydrophobicContact CE2-CG1 3.85Å; Y31-I226 HydrophobicContact CE2-CG2 4.14Å
32N98.1Very high97.6Very high38 Ų3832.2 Ų32.220%0.20317%0.169CC..EExtended strand (participates in β ladder)trans-98.597.1173.7-166.622.6000109.7M1 F30 T34 G41 V42M1-N32 HydrophobicContact CE-CB 3.93Å; M1-N32 HydrophobicContact CG-CB 3.73Å; M1-N32 WeakPolarHBondContact CG-OD1 3.17Å; F30-N32 HydrophobicContact CD2-CB 4.13Å; F30-N32 HydrophobicContact CE2-CB 4.07Å; N32-T34 PolarHBondContact O-N 2.88Å; N32-T34 VanDerWaalsContact O-N 3.1Å; N32-G41 CarbonylContact O-C 3.53Å; N32-G41 VanDerWaalsContact O-CA 3.29Å; N32-G41 WeakPolarHBondContact O-CA 3.41Å; N32-V42 HydrophobicContact CB-CB 4.32Å; N32-V42 PolarHBondContact N-O 3.46Å; N32-V42 PolarHBondContact O-N 2.69Å
33N97Very high97.6Very high68 Ų6829.4 Ų29.436%0.36415%0.154SC..EExtended strand (participates in β ladder)trans-77.694177.2-176.512.6000110.8Y31 I35 H74Y31-N33 HydrophobicContact CD1-CB 4.26Å; Y31-N33 HydrophobicContact CE1-CB 3.63Å; N33-I35 WeakPolarHBondContact OD1-CG2 3.46Å; N33-H74 PolarHBondContact ND2-NE2 2.79Å; N33-H74 PolarHBondContact OD1-NE2 3.04Å
34T97.1Very high97.8Very high31 Ų3123.3 Ų23.319%0.1913%0.131CC..EExtended strand (participates in β ladder)trans-114.917.9174.250.20000113N32 Q36 T37 T38 W40N32-T34 PolarHBondContact O-N 2.88Å; N32-T34 VanDerWaalsContact O-N 3.1Å; T34-Q36 PolarHBondContact O-N 3.16Å; T34-Q36 VanDerWaalsContact O-N 3.1Å; T34-T37 PolarHBondContact O-N 3.01Å; T34-T37 PolarHBondContact O-OG1 3.18Å; T34-T37 VanDerWaalsContact O-OG1 3.12Å; T34-T38 PolarHBondContact O-N 2.67Å; T34-T38 PolarHBondContact O-OG1 2.86Å; T34-T38 VanDerWaalsContact O-OG1 3.04Å; T34-T38 PolarHBondContact OG1-OG1 2.92Å; T34-T38 VanDerWaalsContact OG1-OG1 3.12Å; T34-W40 CarbonylContact C-O 3.51Å; T34-W40 WeakPolarHBondContact CA-O 3.41Å; T34-W40 WeakPolarHBondContact CB-O 3.22Å; T34-W40 PolarHBondContact N-O 2.97Å; T34-W40 PolarHBondContact OG1-O 3.02Å
35I96.4Very high97.9Very high1 Ų121 Ų211%0.00512%0.115CC..Hα-helixtrans-53.6-39.5-174-165.781.8000112.8N33 T37 G39 W40 L224 R225 P503N33-I35 WeakPolarHBondContact OD1-CG2 3.46Å; I35-T37 VanDerWaalsContact C-N 3.3Å; I35-T37 PolarHBondContact O-N 3.26Å; I35-G39 WeakPolarHBondContact CD1-O 3.03Å; I35-G39 WeakPolarHBondContact O-CA 3.34Å; I35-G39 PolarHBondContact O-N 3.11Å; I35-W40 PolarHBondContact N-O 3.15Å; I35-L224 HydrophobicContact CD1-CD1 4.08Å; I35-L224 HydrophobicContact CG1-CD1 3.88Å; I35-R225 HydrophobicContact CD1-CB 4.45Å; I35-P503 HydrophobicContact CG1-CG 4.43Å; I35-P503 WeakPolarHBondContact O-CG 3.43Å
36Q97.1Very high98Very high110 Ų11023.2 Ų23.251%0.51412%0.123SC..Hα-helixtrans-72.3-20.7-177.7-64.4-61.9-26.700113.8T34 G501T34-Q36 PolarHBondContact O-N 3.16Å; T34-Q36 VanDerWaalsContact O-N 3.1Å; Q36-G501 PolarHBondContact NE2-O 2.64Å; Q36-G501 VanDerWaalsContact NE2-O 3.15Å
37T96.9Very high98.1Very high105 Ų10523.1 Ų23.164%0.64412%0.123SC*.Hα-helixtrans-110-34.6-175.651.60000113.1T34 I35 F508T34-T37 PolarHBondContact O-N 3.01Å; T34-T37 PolarHBondContact O-OG1 3.18Å; T34-T37 VanDerWaalsContact O-OG1 3.12Å; I35-T37 VanDerWaalsContact C-N 3.3Å; I35-T37 PolarHBondContact O-N 3.26Å; T37-F508 WeakPolarHBondContact O-CD1 3.28Å; T37-F508 WeakPolarHBondContact O-CE1 3.27Å
38T97.5Very high98Very high37 Ų3723.7 Ų23.723%0.22713%0.128CC..Hα-helixtrans-116.7-9.3-176.864.90000113.3T34 W40 F508 V511T34-T38 PolarHBondContact O-N 2.67Å; T34-T38 PolarHBondContact O-OG1 2.86Å; T34-T38 VanDerWaalsContact O-OG1 3.04Å; T34-T38 PolarHBondContact OG1-OG1 2.92Å; T34-T38 VanDerWaalsContact OG1-OG1 3.12Å; T38-W40 PolarHBondContact O-N 3.1Å; T38-W40 PolarHBondContact OG1-N 3.11Å; T38-W40 PolarHBondContact OG1-O 2.76Å; T38-F508 VanDerWaalsContact C-CD1 3.43Å; T38-V511 HydrophobicContact CG2-CG1 4.19Å
39G97.9Very high97.9Very high0 Ų027.2 Ų27.20%014%0.142CC..SBendtrans75.45.3-169.400000113.7I35 N478I35-G39 WeakPolarHBondContact CD1-O 3.03Å; I35-G39 WeakPolarHBondContact O-CA 3.34Å; I35-G39 PolarHBondContact O-N 3.11Å; G39-N478 WeakPolarHBondContact O-CB 3.28Å; G39-N478 PolarHBondContact O-ND2 3.1Å
40W98.4Very high97.7Very high0 Ų028.2 Ų28.20%015%0.152CC..EExtended strand (participates in β ladder)trans-134.6138.4179-69.293.1000112.5T34 I35 T38 R225 Y227 D460 K462 A476 N478 V511 M513T34-W40 CarbonylContact C-O 3.51Å; T34-W40 WeakPolarHBondContact CA-O 3.41Å; T34-W40 WeakPolarHBondContact CB-O 3.22Å; T34-W40 PolarHBondContact N-O 2.97Å; T34-W40 PolarHBondContact OG1-O 3.02Å; I35-W40 PolarHBondContact N-O 3.15Å; T38-W40 PolarHBondContact O-N 3.1Å; T38-W40 PolarHBondContact OG1-N 3.11Å; T38-W40 PolarHBondContact OG1-O 2.76Å; W40-R225 HydrophobicContact CD2-CB 3.91Å; W40-R225 HydrophobicContact CE3-CB 3.35Å; W40-R225 HydrophobicContact CE3-CG 4.36Å; W40-R225 HydrophobicContact CH2-CB 4.05Å; W40-R225 HydrophobicContact CH2-CG 4.3Å; W40-R225 VanDerWaalsContact CH2-CZ 3.49Å; W40-R225 HydrophobicContact CZ3-CB 3.45Å; W40-R225 VanDerWaalsContact CZ3-CB 3.45Å; W40-R225 HydrophobicContact CZ3-CG 4.18Å; W40-Y227 HydrophobicContact CZ3-CD2 4.29Å; W40-D460 HydrophobicContact CZ2-CB 4.24Å; W40-K462 HydrophobicContact CH2-CD 4.42Å; W40-A476 HydrophobicContact CZ2-CB 3.86Å; W40-N478 HydrophobicContact CD2-CB 4.46Å; W40-N478 HydrophobicContact CZ2-CB 4.21Å; W40-N478 VanDerWaalsContact NE1-N 3.19Å; W40-V511 HydrophobicContact CG-CG2 4.49Å; W40-M513 HydrophobicContact CB-CE 3.52Å; W40-M513 HydrophobicContact CD2-CE 3.48Å; W40-M513 VanDerWaalsContact CD2-CE 3.48Å; W40-M513 HydrophobicContact CE3-CE 4.02Å; W40-M513 HydrophobicContact CG-CE 3.22Å
41G98.4Very high97.4Very high0 Ų032.8 Ų32.80%019%0.185CC..EExtended strand (participates in β ladder)trans-82.9153.1150.800000110.7N32 R225 I226 Y227N32-G41 CarbonylContact O-C 3.53Å; N32-G41 VanDerWaalsContact O-CA 3.29Å; N32-G41 WeakPolarHBondContact O-CA 3.41Å; G41-R225 PolarHBondContact N-O 2.87Å; G41-I226 CarbonylContact O-C 3.58Å; G41-I226 WeakPolarHBondContact O-CA 3.46Å; G41-Y227 PolarHBondContact O-N 2.87Å
42V98.6Very high97Very high24 Ų2435.8 Ų35.815%0.14520%0.199CC..EExtended strand (participates in β ladder)trans-125124.6173.3-177.40000109.3F30 N32 Y227 M513F30-V42 HydrophobicContact CE2-CG1 4.44Å; N32-V42 HydrophobicContact CB-CB 4.32Å; N32-V42 PolarHBondContact N-O 3.46Å; N32-V42 PolarHBondContact O-N 2.69Å; V42-Y227 CarbonylContact C-O 3.54Å; V42-Y227 WeakPolarHBondContact CA-O 3.4Å; V42-M513 HydrophobicContact CG2-SD 4.02Å
43L98.8Very high96.7Very high0 Ų039.9 Ų39.90%023%0.225CC..EExtended strand (participates in β ladder)trans-115.8130.5178.8178.375.9000109.3F30 Y31 I45 E67 L70 T71 I226 Y227 K228 H229F30-L43 WeakPolarHBondContact O-CA 3.18Å; F30-L43 WeakPolarHBondContact O-CD1 3.38Å; Y31-L43 HydrophobicContact CD2-CB 4.24Å; Y31-L43 HydrophobicContact CD2-CD1 4.43Å; L43-I45 HydrophobicContact CD1-CD1 4.15Å; L43-I45 HydrophobicContact CD1-CG1 4.15Å; L43-I45 HydrophobicContact CD2-CD1 4.03Å; L43-I45 HydrophobicContact CD2-CG1 4.48Å; L43-I45 HydrophobicContact CG-CD1 4.2Å; L43-I45 HydrophobicContact CG-CG1 4.15Å; L43-E67 HydrophobicContact CD2-CB 4.45Å; L43-E67 VanDerWaalsContact CD2-CD 3.42Å; L43-E67 HydrophobicContact CD2-CG 3.62Å; L43-E67 VanDerWaalsContact CD2-OE2 3.25Å; L43-E67 WeakPolarHBondContact CD2-OE2 3.41Å; L43-L70 HydrophobicContact CD1-CB 4.39Å; L43-L70 HydrophobicContact CD1-CD1 4.11Å; L43-T71 HydrophobicContact CD1-CG2 3.97Å; L43-T71 HydrophobicContact CD2-CG2 4.23Å; L43-I226 HydrophobicContact CB-CG2 3.57Å; L43-Y227 PolarHBondContact N-O 2.85Å; L43-K228 HydrophobicContact CB-CG 4.25Å; L43-K228 HydrophobicContact CD2-CD 4.09Å; L43-K228 HydrophobicContact CD2-CG 4.1Å; L43-K228 CarbonylContact O-C 3.48Å; L43-K228 WeakPolarHBondContact O-CA 3.28Å; L43-H229 PolarHBondContact O-N 3.24Å
44E98.8Very high96.6Very high9 Ų937.5 Ų37.54%0.04221%0.213CC..EExtended strand (participates in β ladder)trans-130.7126.9171.7-171.5168.8179.500110.3G29 F30 H229 P515 I516 L517G29-E44 CarbonylContact C-O 3.56Å; G29-E44 WeakPolarHBondContact CA-O 3.47Å; F30-E44 HydrophobicContact CD1-CB 4.3Å; F30-E44 HydrophobicContact CE1-CB 3.72Å; F30-E44 HydrophobicContact CE1-CG 4.49Å; F30-E44 HydrophobicContact CE2-CB 4.38Å; F30-E44 HydrophobicContact CZ-CB 3.76Å; F30-E44 PolarHBondContact N-O 3.35Å; F30-E44 PolarHBondContact O-N 3.08Å; E44-H229 VanDerWaalsContact CA-O 3.31Å; E44-H229 WeakPolarHBondContact CA-O 3.36Å; E44-H229 HydrophobicContact CB-CB 4.2Å; E44-H229 HydrophobicContact CG-CB 3.87Å; E44-P515 VanDerWaalsContact OE1-CB 3.27Å; E44-P515 WeakPolarHBondContact OE1-CB 3.42Å; E44-I516 VanDerWaalsContact CD-N 3.33Å; E44-I516 PolarHBondContact OE1-N 3.01Å; E44-I516 VanDerWaalsContact OE1-N 3.09Å; E44-I516 WeakPolarHBondContact OE2-CG1 3.3Å; E44-I516 PolarHBondContact OE2-N 3.43Å; E44-L517 HydrophobicContact CB-CD1 4.2Å; E44-L517 HydrophobicContact CG-CB 4.24Å; E44-L517 HydrophobicContact CG-CD1 3.86Å; E44-L517 HydrophobicContact CG-CG 4.02Å; E44-L517 WeakPolarHBondContact OE1-CB 3.26Å; E44-L517 PolarHBondContact OE1-N 3.09Å
45I98.8Very high96.5Very high1 Ų138.4 Ų38.41%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-131.1131.2-178.9-61.5179.1000109.8L43 L66 E67 H229 N231 F232L43-I45 HydrophobicContact CD1-CD1 4.15Å; L43-I45 HydrophobicContact CD1-CG1 4.15Å; L43-I45 HydrophobicContact CD2-CD1 4.03Å; L43-I45 HydrophobicContact CD2-CG1 4.48Å; L43-I45 HydrophobicContact CG-CD1 4.2Å; L43-I45 HydrophobicContact CG-CG1 4.15Å; I45-L66 HydrophobicContact CG1-CD2 4.39Å; I45-L66 HydrophobicContact CG2-CD2 4.08Å; I45-E67 HydrophobicContact CD1-CB 3.5Å; I45-E67 HydrophobicContact CD1-CG 4.23Å; I45-H229 PolarHBondContact N-O 3.43Å; I45-N231 PolarHBondContact O-N 3.4Å; I45-F232 HydrophobicContact CB-CE1 4.19Å; I45-F232 HydrophobicContact CG2-CE1 3.74Å
46R98.7Very high96.6Very high47 Ų4739.5 Ų39.518%0.17723%0.226CC..EExtended strand (participates in β ladder)trans-115.6139.8166.8-60.1-170.159.8174.9-8.6109.4A27 Y28 Y49 N231 L517A27-R46 CarbonylContact C-O 3.31Å; A27-R46 VanDerWaalsContact CA-O 3.31Å; A27-R46 WeakPolarHBondContact CA-O 3.35Å; Y28-R46 HydrophobicContact CD2-CB 4.19Å; Y28-R46 HydrophobicContact CE1-CB 4.2Å; Y28-R46 HydrophobicContact CE2-CB 3.67Å; Y28-R46 HydrophobicContact CE2-CG 4.09Å; Y28-R46 PolarHBondContact N-O 3.2Å; Y28-R46 PolarHBondContact O-N 3.08Å; Y28-R46 PolarHBondContact OH-NE 2.86Å; R46-Y49 HydrophobicContact CB-CD2 4.19Å; R46-N231 VanDerWaalsContact CA-O 3.26Å; R46-N231 WeakPolarHBondContact CA-O 3.31Å; R46-N231 HydrophobicContact CG-CB 4.28Å; R46-L517 HydrophobicContact CG-CB 4.28Å; R46-L517 PolarHBondContact NH1-O 3.16Å; R46-L517 PolarHBondContact NH1-OXT 3.1Å
47A98.3Very high96.5Very high0 Ų039.3 Ų39.30%023%0.225CC..EExtended strand (participates in β ladder)trans-144.7150.6179.800000111.9D26 A27 Y49 I59 N231 F232 N233D26-A47 CarbonylContact O-C 3.43Å; D26-A47 WeakPolarHBondContact O-CA 3.1Å; A27-A47 HydrophobicContact CB-CB 3.78Å; A47-Y49 VanDerWaalsContact C-N 3.33Å; A47-Y49 WeakPolarHBondContact O-CD2 3.49Å; A47-I59 HydrophobicContact CB-CG2 3.78Å; A47-N231 PolarHBondContact N-O 3.04Å; A47-F232 HydrophobicContact CB-CD1 3.81Å; A47-F232 HydrophobicContact CB-CE1 4.43Å; A47-N233 PolarHBondContact O-N 2.79Å
48G97.3Very high96.5Very high11 Ų1136.3 Ų36.311%0.11321%0.205CC..SBendtrans76.613.8179.500000115.4D26 N233D26-G48 PolarHBondContact O-N 3.09Å; G48-N233 VanDerWaalsContact O-CB 3.29Å; G48-N233 WeakPolarHBondContact O-CB 3.36Å; G48-N233 PolarHBondContact O-ND2 2.66Å
49Y96.4Very high96.5Very high80 Ų8034.8 Ų34.831%0.31420%0.196SC..  trans-104.22.9175.9-65-72.9000113.3R46 A47 N231 N233R46-Y49 HydrophobicContact CB-CD2 4.19Å; A47-Y49 VanDerWaalsContact C-N 3.33Å; A47-Y49 WeakPolarHBondContact O-CD2 3.49Å; Y49-N231 WeakPolarHBondContact CE2-O 3.47Å; Y49-N231 PolarHBondContact OH-OD1 3.1Å; Y49-N233 HydrophobicContact CD1-CB 4.03Å; Y49-N233 HydrophobicContact CD2-CB 4.3Å; Y49-N233 HydrophobicContact CE1-CB 3.74Å; Y49-N233 HydrophobicContact CE2-CB 4.05Å; Y49-N233 HydrophobicContact CG-CB 4.3Å
50G93.3Very high96.5Very high20 Ų2034.8 Ų34.821%0.20620%0.196CC..SBendtrans-72.3-174.4-177.400000113.5S24 G25 Q52S24-G50 CarbonylContact O-C 3.54Å; S24-G50 WeakPolarHBondContact O-CA 3.22Å; G25-G50 VanDerWaalsContact O-CA 3.23Å; G25-G50 WeakPolarHBondContact O-CA 3.38Å; G50-Q52 VanDerWaalsContact C-N 3.25Å; G50-Q52 PolarHBondContact O-N 3.25Å
51S92Very high96.5Very high101 Ų10137.5 Ų37.571%0.70621%0.206SC*.SBendtrans-71.8-18.8-179.757.40000113.8S24S24-S51 PolarHBondContact O-N 3.07Å; S24-S51 PolarHBondContact O-OG 2.89Å
52Q91.1Very high96.5Very high68 Ų6837.5 Ų37.532%0.31821%0.206SC..SBendtrans-100.1137.8-179.4-53.3-172.777.600111.1W8 D26 G50 L54W8-Q52 PolarHBondContact O-NE2 2.88Å; D26-Q52 PolarHBondContact OD2-NE2 2.54Å; G50-Q52 VanDerWaalsContact C-N 3.25Å; G50-Q52 PolarHBondContact O-N 3.25Å; Q52-L54 HydrophobicContact CB-CD2 4.45Å; Q52-L54 PolarHBondContact O-N 3.06Å
53T92.4Very high96.5Very high124 Ų12436.3 Ų36.376%0.76120%0.199SC*.  trans-77.3117.6167.5-50.60000109.4K10K10-T53 PolarHBondContact NZ-O 2.85Å
54L94.3Very high96.5Very high18 Ų1836.3 Ų36.39%0.09420%0.199CC..  trans-107.8157.4177.4-66.8-169.4000111.5W8 D26 Q52 D58 I59W8-L54 HydrophobicContact CB-CD1 4.08Å; W8-L54 HydrophobicContact CB-CD2 4.08Å; W8-L54 HydrophobicContact CG-CD1 4.45Å; W8-L54 HydrophobicContact CG-CD2 4.05Å; D26-L54 HydrophobicContact CB-CD1 3.59Å; Q52-L54 HydrophobicContact CB-CD2 4.45Å; Q52-L54 PolarHBondContact O-N 3.06Å; L54-D58 HydrophobicContact CB-CB 4.13Å; L54-D58 HydrophobicContact CD1-CB 4.29Å; L54-I59 HydrophobicContact CB-CD1 4.37Å; L54-I59 HydrophobicContact CB-CG1 3.74Å; L54-I59 HydrophobicContact CD1-CG1 4.46Å
55S95.5Very high96.5Very high50 Ų5036.5 Ų36.535%0.3520%0.2SC..  trans-69.5157.5167.472.70000110.2E57 D58 I59S55-E57 PolarHBondContact O-N 3.22Å; S55-D58 PolarHBondContact O-N 2.81Å; S55-D58 WeakPolarHBondContact OG-CB 3.39Å; S55-D58 PolarHBondContact OG-N 3.48Å; S55-D58 VanDerWaalsContact OG-N 3.1Å; S55-D58 PolarHBondContact OG-OD2 2.9Å; S55-I59 WeakPolarHBondContact O-CG1 3.26Å; S55-I59 PolarHBondContact O-N 3.45Å
56N97.4Very high96.5Very high24 Ų2436.4 Ų36.413%0.12820%0.2CC..Hα-helixtrans-57.8-36.2176-68.2-22.3000111.8I59 M60 Y125 I234 V235N56-I59 PolarHBondContact O-N 3.27Å; N56-M60 WeakPolarHBondContact O-CG 3.47Å; N56-M60 PolarHBondContact O-N 3.33Å; N56-Y125 HydrophobicContact CB-CD1 4.17Å; N56-Y125 HydrophobicContact CB-CE1 3.53Å; N56-Y125 HydrophobicContact CB-CE2 4.12Å; N56-Y125 VanDerWaalsContact CB-CZ 3.49Å; N56-Y125 PolarHBondContact ND2-OH 3.31Å; N56-I234 HydrophobicContact CB-CD1 4.08Å; N56-I234 HydrophobicContact CB-CG2 4.2Å; N56-V235 PolarHBondContact ND2-O 3.18Å; N56-V235 PolarHBondContact OD1-N 2.92Å
57E96.3Very high96.5Very high107 Ų10734.2 Ų34.250%0.519%0.191SC..Hα-helixtrans-65.8-44.8177-66.1168.2165.700111.6S55 I59 M60 Y61 Y125S55-E57 PolarHBondContact O-N 3.22Å; E57-I59 PolarHBondContact O-N 3.22Å; E57-M60 PolarHBondContact O-N 3.15Å; E57-Y61 WeakPolarHBondContact O-CB 3.4Å; E57-Y61 PolarHBondContact O-N 3.07Å; E57-Y125 HydrophobicContact CG-CD1 3.92Å; E57-Y125 HydrophobicContact CG-CE1 3.94Å
58D96.4Very high96.5Very high42 Ų4234.2 Ų34.223%0.22519%0.191CC..Hα-helixtrans-65.2-38.5176.9-63-41.2000111.7W8 L54 S55 M60 Y61 A62W8-D58 WeakPolarHBondContact CZ2-OD1 3.2Å; L54-D58 HydrophobicContact CB-CB 4.13Å; L54-D58 HydrophobicContact CD1-CB 4.29Å; S55-D58 PolarHBondContact O-N 2.81Å; S55-D58 WeakPolarHBondContact OG-CB 3.39Å; S55-D58 PolarHBondContact OG-N 3.48Å; S55-D58 VanDerWaalsContact OG-N 3.1Å; S55-D58 PolarHBondContact OG-OD2 2.9Å; D58-M60 VanDerWaalsContact C-N 3.35Å; D58-Y61 PolarHBondContact O-N 3.43Å; D58-A62 VanDerWaalsContact O-CB 3.26Å; D58-A62 WeakPolarHBondContact O-CB 3.39Å; D58-A62 PolarHBondContact O-N 3.4Å
59I97.9Very high96.6Very high5 Ų534.4 Ų34.43%0.02619%0.188CC..Hα-helixtrans-59.8-48174.9-68.6168.8000110A47 L54 S55 N56 E57 A62 S63 F232 N233 I234A47-I59 HydrophobicContact CB-CG2 3.78Å; L54-I59 HydrophobicContact CB-CD1 4.37Å; L54-I59 HydrophobicContact CB-CG1 3.74Å; L54-I59 HydrophobicContact CD1-CG1 4.46Å; S55-I59 WeakPolarHBondContact O-CG1 3.26Å; S55-I59 PolarHBondContact O-N 3.45Å; N56-I59 PolarHBondContact O-N 3.27Å; E57-I59 PolarHBondContact O-N 3.22Å; I59-A62 PolarHBondContact O-N 3.4Å; I59-S63 WeakPolarHBondContact O-CB 3.41Å; I59-S63 PolarHBondContact O-N 2.86Å; I59-S63 PolarHBondContact O-OG 2.88Å; I59-F232 HydrophobicContact CG2-CB 4.22Å; I59-N233 WeakPolarHBondContact CD1-O 3.28Å; I59-I234 HydrophobicContact CB-CD1 4.03Å; I59-I234 HydrophobicContact CG2-CD1 3.76Å
60M98.3Very high96.7Very high0 Ų031.2 Ų31.20%018%0.177CC..Hα-helixtrans-66.3-43.4-179.1-67.5-67.2-69.500111.2N56 E57 D58 S63 G64 Y125 A128 Q129 F232 I234N56-M60 WeakPolarHBondContact O-CG 3.47Å; N56-M60 PolarHBondContact O-N 3.33Å; E57-M60 PolarHBondContact O-N 3.15Å; D58-M60 VanDerWaalsContact C-N 3.35Å; M60-S63 PolarHBondContact O-N 2.85Å; M60-S63 PolarHBondContact O-OG 2.75Å; M60-G64 PolarHBondContact O-N 2.85Å; M60-Y125 VanDerWaalsContact CB-O 3.28Å; M60-Y125 WeakPolarHBondContact CB-O 3.26Å; M60-Y125 HydrophobicContact CG-CG 4.42Å; M60-A128 HydrophobicContact CB-CB 4.35Å; M60-Q129 HydrophobicContact CB-CB 4.28Å; M60-Q129 HydrophobicContact CE-CB 4.06Å; M60-Q129 HydrophobicContact CE-CG 4.48Å; M60-Q129 WeakPolarHBondContact O-CA 2.97Å; M60-F232 HydrophobicContact CE-CD2 4.44Å; M60-F232 HydrophobicContact SD-CD2 3.67Å; M60-F232 HydrophobicContact SD-CE2 4.24Å; M60-F232 HydrophobicContact SD-CG 4.48Å; M60-I234 HydrophobicContact CG-CD1 3.77Å; M60-I234 HydrophobicContact SD-CD1 3.84Å; M60-I234 HydrophobicContact SD-CG1 4.18Å
61Y98.3Very high96.9Very high56 Ų5630.3 Ų30.322%0.2217%0.167CC..Hα-helixtrans-60.7-48.4174.8-176.2-82.7000112.3W8 L15 E57 D58 S63 G64 F65 A128 D131 G132 M135W8-Y61 HydrophobicContact CE3-CD1 4.38Å; W8-Y61 HydrophobicContact CH2-CD1 4.19Å; W8-Y61 HydrophobicContact CH2-CE1 4.32Å; W8-Y61 AromaticContact CZ3-CD1 3.47Å; W8-Y61 HydrophobicContact CZ3-CD1 3.47Å; W8-Y61 VanDerWaalsContact CZ3-CD1 3.47Å; W8-Y61 AromaticContact CZ3-CE1 3.71Å; W8-Y61 HydrophobicContact CZ3-CE1 3.71Å; W8-Y61 HydrophobicContact CZ3-CG 4.38Å; L15-Y61 HydrophobicContact CD1-CD1 3.82Å; L15-Y61 HydrophobicContact CD1-CE1 3.55Å; L15-Y61 HydrophobicContact CG-CE1 4.32Å; E57-Y61 WeakPolarHBondContact O-CB 3.4Å; E57-Y61 PolarHBondContact O-N 3.07Å; D58-Y61 PolarHBondContact O-N 3.43Å; Y61-S63 VanDerWaalsContact C-N 3.31Å; Y61-S63 PolarHBondContact O-N 2.97Å; Y61-G64 PolarHBondContact O-N 2.85Å; Y61-F65 WeakPolarHBondContact O-CB 3.43Å; Y61-F65 PolarHBondContact O-N 3.05Å; Y61-A128 WeakPolarHBondContact CA-O 3.47Å; Y61-A128 WeakPolarHBondContact CD2-O 3.33Å; Y61-D131 HydrophobicContact CD2-CB 4.07Å; Y61-D131 HydrophobicContact CE2-CB 3.97Å; Y61-G132 WeakPolarHBondContact O-CA 3.3Å; Y61-M135 WeakPolarHBondContact OH-CG 3.37Å
62A98.1Very high97.2Very high0 Ų025.5 Ų25.50%013%0.134CC..Hα-helixtrans-62.2-38177.700000112.2V6 L15 A27 D58 I59 F65 L66V6-A62 HydrophobicContact CG1-CB 4.17Å; L15-A62 HydrophobicContact CD2-CB 4.5Å; A27-A62 HydrophobicContact CB-CB 4.1Å; D58-A62 VanDerWaalsContact O-CB 3.26Å; D58-A62 WeakPolarHBondContact O-CB 3.39Å; D58-A62 PolarHBondContact O-N 3.4Å; I59-A62 PolarHBondContact O-N 3.4Å; A62-F65 PolarHBondContact O-N 2.87Å; A62-L66 PolarHBondContact O-N 3.27Å
63S98.4Very high97.5Very high0 Ų024.8 Ų24.80%014%0.135CC..Hα-helixtrans-64.9-42.1175.278.50000112.3I59 M60 Y61 L66 E67I59-S63 WeakPolarHBondContact O-CB 3.41Å; I59-S63 PolarHBondContact O-N 2.86Å; I59-S63 PolarHBondContact O-OG 2.88Å; M60-S63 PolarHBondContact O-N 2.85Å; M60-S63 PolarHBondContact O-OG 2.75Å; Y61-S63 VanDerWaalsContact C-N 3.31Å; Y61-S63 PolarHBondContact O-N 2.97Å; S63-L66 PolarHBondContact O-N 2.84Å; S63-E67 PolarHBondContact O-N 3.3Å
64G98.6Very high97.7Very high0 Ų019.6 Ų19.60%010%0.102CC..Hα-helixtrans-62.2-47.4174.400000111.1M60 Y61 L66 E67 G68 Q129 L133M60-G64 PolarHBondContact O-N 2.85Å; Y61-G64 PolarHBondContact O-N 2.85Å; G64-L66 VanDerWaalsContact C-N 3.32Å; G64-L66 PolarHBondContact O-N 3.02Å; G64-E67 PolarHBondContact O-N 3.23Å; G64-E67 VanDerWaalsContact O-N 3.15Å; G64-G68 PolarHBondContact O-N 2.91Å; G64-Q129 WeakPolarHBondContact CA-O 3.41Å; G64-L133 VanDerWaalsContact C-N 3.27Å; G64-L133 WeakPolarHBondContact O-CA 3.21Å; G64-L133 PolarHBondContact O-N 2.97Å
65F98.7Very high97.9Very high12 Ų1218.7 Ų18.75%0.05310%0.098CC..Hα-helixtrans-56.2-46.5176.9-173.5-77.7000111.9V6 L15 I17 Y61 A62 E67 G68 Y69 G132 M135 G136 E139V6-F65 HydrophobicContact CG1-CD1 4.47Å; V6-F65 HydrophobicContact CG2-CD1 3.75Å; V6-F65 HydrophobicContact CG2-CE1 4.31Å; L15-F65 HydrophobicContact CB-CD2 4.44Å; L15-F65 HydrophobicContact CB-CE1 4.44Å; L15-F65 HydrophobicContact CB-CE2 4.26Å; L15-F65 HydrophobicContact CB-CZ 4.26Å; L15-F65 HydrophobicContact CD1-CB 3.51Å; L15-F65 HydrophobicContact CD1-CD1 3.91Å; L15-F65 HydrophobicContact CD1-CD2 3.49Å; L15-F65 VanDerWaalsContact CD1-CD2 3.49Å; L15-F65 HydrophobicContact CD1-CE2 4.14Å; L15-F65 HydrophobicContact CD1-CG 3.34Å; I17-F65 HydrophobicContact CB-CE1 4.28Å; I17-F65 HydrophobicContact CD1-CE1 4.42Å; Y61-F65 WeakPolarHBondContact O-CB 3.43Å; Y61-F65 PolarHBondContact O-N 3.05Å; A62-F65 PolarHBondContact O-N 2.87Å; F65-E67 PolarHBondContact O-N 2.91Å; F65-G68 PolarHBondContact O-N 3.22Å; F65-Y69 WeakPolarHBondContact O-CB 3.45Å; F65-Y69 PolarHBondContact O-N 2.98Å; F65-G132 WeakPolarHBondContact CA-O 3.43Å; F65-G132 PolarHBondContact N-O 3.13Å; F65-M135 HydrophobicContact CD2-CB 3.88Å; F65-M135 HydrophobicContact CE2-CB 4.2Å; F65-M135 WeakPolarHBondContact CE2-O 3.48Å; F65-G136 VanDerWaalsContact CD2-N 3.35Å; F65-G136 VanDerWaalsContact O-CA 3.27Å; F65-G136 WeakPolarHBondContact O-CA 3.1Å; F65-E139 HydrophobicContact CE2-CB 4.2Å; F65-E139 HydrophobicContact CZ-CB 3.73Å; F65-E139 HydrophobicContact CZ-CG 4.03Å
66L98.8Very high98Very high0 Ų018.8 Ų18.80%09%0.091CC..Hα-helixtrans-62.4-43.7177.6-177.160000112A4 V6 I17 A27 Y28 I45 A62 S63 G64 Y69 L70A4-L66 HydrophobicContact CB-CD1 3.66Å; V6-L66 HydrophobicContact CG2-CB 3.84Å; V6-L66 HydrophobicContact CG2-CD1 4.02Å; V6-L66 HydrophobicContact CG2-CG 4.43Å; I17-L66 HydrophobicContact CD1-CD1 3.96Å; A27-L66 HydrophobicContact CB-CB 4.41Å; A27-L66 HydrophobicContact CB-CD2 4.2Å; Y28-L66 VanDerWaalsContact CA-CD2 3.45Å; I45-L66 HydrophobicContact CG1-CD2 4.39Å; I45-L66 HydrophobicContact CG2-CD2 4.08Å; A62-L66 PolarHBondContact O-N 3.27Å; S63-L66 PolarHBondContact O-N 2.84Å; G64-L66 VanDerWaalsContact C-N 3.32Å; G64-L66 PolarHBondContact O-N 3.02Å; L66-Y69 PolarHBondContact O-N 3.13Å; L66-L70 HydrophobicContact CD1-CD1 3.78Å; L66-L70 HydrophobicContact CD1-CG 3.94Å; L66-L70 HydrophobicContact CD2-CD1 4.46Å; L66-L70 HydrophobicContact CG-CD1 3.82Å; L66-L70 HydrophobicContact CG-CG 4.37Å; L66-L70 WeakPolarHBondContact O-CB 3.33Å; L66-L70 WeakPolarHBondContact O-CG 3.19Å; L66-L70 PolarHBondContact O-N 2.88Å
67E98.8Very high98.1Very high0 Ų019.5 Ų19.50%09%0.094CC..Hα-helixtrans-60.7-47.4176.7-176.6156.8146.400111.9L43 I45 S63 G64 F65 Y69 L70 T71 L133 K228 W230L43-E67 HydrophobicContact CD2-CB 4.45Å; L43-E67 VanDerWaalsContact CD2-CD 3.42Å; L43-E67 HydrophobicContact CD2-CG 3.62Å; L43-E67 VanDerWaalsContact CD2-OE2 3.25Å; L43-E67 WeakPolarHBondContact CD2-OE2 3.41Å; I45-E67 HydrophobicContact CD1-CB 3.5Å; I45-E67 HydrophobicContact CD1-CG 4.23Å; S63-E67 PolarHBondContact O-N 3.3Å; G64-E67 PolarHBondContact O-N 3.23Å; G64-E67 VanDerWaalsContact O-N 3.15Å; F65-E67 PolarHBondContact O-N 2.91Å; E67-Y69 VanDerWaalsContact C-N 3.32Å; E67-Y69 PolarHBondContact O-N 2.99Å; E67-L70 PolarHBondContact O-N 3.18Å; E67-T71 HydrophobicContact CG-CG2 4.46Å; E67-T71 WeakPolarHBondContact O-CB 3.45Å; E67-T71 PolarHBondContact O-N 2.7Å; E67-T71 PolarHBondContact O-OG1 3.26Å; E67-L133 HydrophobicContact CB-CD1 4.01Å; E67-L133 HydrophobicContact CG-CD1 3.84Å; E67-K228 IonicContact OE1-NZ 3.15Å; E67-K228 PolarHBondContact OE1-NZ 3.43Å; E67-W230 VanDerWaalsContact OE2-CE2 3.25Å; E67-W230 WeakPolarHBondContact OE2-CZ2 3.29Å; E67-W230 PolarHBondContact OE2-NE1 3.19Å
68G98.6Very high98.2Very high0 Ų014.4 Ų14.40%07%0.071CC..Hα-helixtrans-61.3-44.3-178.900000110.9G64 F65 A72 L133G64-G68 PolarHBondContact O-N 2.91Å; F65-G68 PolarHBondContact O-N 3.22Å; G68-A72 WeakPolarHBondContact O-CA 3.24Å; G68-A72 WeakPolarHBondContact O-CB 3.47Å; G68-A72 PolarHBondContact O-N 2.91Å; G68-L133 WeakPolarHBondContact CA-O 3.31Å
69Y98.6Very high98.2Very high15 Ų1512.9 Ų12.96%0.0596%0.063CC..Hα-helixtrans-65-47.3177.3-179.2-93.2000112.8A4 I17 N19 F65 L66 E67 T71 G136 W140 L143A4-Y69 HydrophobicContact CB-CD1 4.31Å; A4-Y69 HydrophobicContact CB-CE1 4.27Å; I17-Y69 HydrophobicContact CD1-CD1 3.93Å; I17-Y69 HydrophobicContact CD1-CE1 4.26Å; I17-Y69 HydrophobicContact CD1-CG 4.24Å; I17-Y69 HydrophobicContact CG1-CD1 3.83Å; I17-Y69 HydrophobicContact CG1-CD2 4.29Å; I17-Y69 HydrophobicContact CG1-CE1 3.71Å; I17-Y69 HydrophobicContact CG1-CE2 4.19Å; I17-Y69 HydrophobicContact CG1-CG 4.11Å; I17-Y69 HydrophobicContact CG2-CE2 4.15Å; N19-Y69 WeakPolarHBondContact OD1-CE1 3.14Å; N19-Y69 PolarHBondContact OD1-OH 3.41Å; F65-Y69 WeakPolarHBondContact O-CB 3.45Å; F65-Y69 PolarHBondContact O-N 2.98Å; L66-Y69 PolarHBondContact O-N 3.13Å; E67-Y69 VanDerWaalsContact C-N 3.32Å; E67-Y69 PolarHBondContact O-N 2.99Å; Y69-T71 PolarHBondContact O-N 3.1Å; Y69-G136 WeakPolarHBondContact CA-O 2.95Å; Y69-W140 HydrophobicContact CD2-CB 3.81Å; Y69-W140 HydrophobicContact CE2-CB 4.17Å; Y69-L143 HydrophobicContact CE2-CD1 3.92Å
70L98.6Very high98.2Very high14 Ų1413.7 Ų13.77%0.0737%0.071CC..Hα-helixtrans-69.1-32.5-177.3-77.4174.8000113.3H2 A4 L43 L66 E67H2-L70 HydrophobicContact CB-CD2 4.45Å; A4-L70 HydrophobicContact CB-CD2 3.78Å; A4-L70 HydrophobicContact CB-CG 4.31Å; L43-L70 HydrophobicContact CD1-CB 4.39Å; L43-L70 HydrophobicContact CD1-CD1 4.11Å; L66-L70 HydrophobicContact CD1-CD1 3.78Å; L66-L70 HydrophobicContact CD1-CG 3.94Å; L66-L70 HydrophobicContact CD2-CD1 4.46Å; L66-L70 HydrophobicContact CG-CD1 3.82Å; L66-L70 HydrophobicContact CG-CG 4.37Å; L66-L70 WeakPolarHBondContact O-CB 3.33Å; L66-L70 WeakPolarHBondContact O-CG 3.19Å; L66-L70 PolarHBondContact O-N 2.88Å; E67-L70 PolarHBondContact O-N 3.18Å
71T98.4Very high98.1Very high0 Ų013.7 Ų13.70%07%0.071CC..Hα-helixtrans-106.1-2.3-173.266.10000113.9Y31 L43 E67 Y69 P73 H74 M75 I226Y31-T71 HydrophobicContact CD2-CG2 4.19Å; Y31-T71 HydrophobicContact CG-CG2 4.22Å; L43-T71 HydrophobicContact CD1-CG2 3.97Å; L43-T71 HydrophobicContact CD2-CG2 4.23Å; E67-T71 HydrophobicContact CG-CG2 4.46Å; E67-T71 WeakPolarHBondContact O-CB 3.45Å; E67-T71 PolarHBondContact O-N 2.7Å; E67-T71 PolarHBondContact O-OG1 3.26Å; Y69-T71 PolarHBondContact O-N 3.1Å; T71-P73 VanDerWaalsContact C-CD 3.49Å; T71-H74 PolarHBondContact O-N 3.3Å; T71-M75 PolarHBondContact O-N 3.23Å; T71-I226 HydrophobicContact CG2-CD1 3.8Å
72A98.1Very high98Very high0 Ų011 Ų110%06%0.061CC..Hα-helixtrans-43.8-52.1-177.700000114.3G68 H74 M75 Y76 A137 W140G68-A72 WeakPolarHBondContact O-CA 3.24Å; G68-A72 WeakPolarHBondContact O-CB 3.47Å; G68-A72 PolarHBondContact O-N 2.91Å; A72-H74 VanDerWaalsContact C-N 3.27Å; A72-H74 PolarHBondContact O-N 2.83Å; A72-M75 WeakPolarHBondContact O-CA 3.42Å; A72-M75 VanDerWaalsContact O-CB 3.3Å; A72-M75 WeakPolarHBondContact O-CB 3.24Å; A72-M75 PolarHBondContact O-N 2.9Å; A72-Y76 WeakPolarHBondContact O-CD2 3.45Å; A72-Y76 PolarHBondContact O-N 3.01Å; A72-A137 HydrophobicContact CB-CB 4.38Å; A72-W140 HydrophobicContact CB-CB 3.68Å; A72-W140 HydrophobicContact CB-CD2 3.44Å; A72-W140 VanDerWaalsContact CB-CD2 3.44Å; A72-W140 HydrophobicContact CB-CE3 3.57Å; A72-W140 HydrophobicContact CB-CG 3.46Å; A72-W140 VanDerWaalsContact CB-CG 3.46Å; A72-W140 HydrophobicContact CB-CZ3 4.41Å
73P96.3Very high97.8Very high54 Ų5413.7 Ų13.735%0.3517%0.071SC..Hα-helixtrans-51.1-46.4-179.9-22.527.5000113.2T71 Y76 D77 W140T71-P73 VanDerWaalsContact C-CD 3.49Å; P73-Y76 PolarHBondContact O-N 3.3Å; P73-D77 PolarHBondContact O-N 3.46Å; P73-W140 HydrophobicContact CB-CZ2 4.26Å; P73-W140 HydrophobicContact CG-CH2 4.25Å; P73-W140 HydrophobicContact CG-CZ2 3.56Å
74H97.8Very high97.5Very high14 Ų1415.3 Ų15.37%0.0658%0.082CC..Hα-helixtrans-79.7-18.1-179.8-76.6-64.4000113.3Y31 N33 T71 A72 Y76 D77 H78 L224 P250Y31-H74 AromaticContact CE1-CD2 3.67Å; Y31-H74 AromaticContact CZ-CD2 3.89Å; Y31-H74 PolarHBondContact OH-CD2 3.28Å; Y31-H74 VanDerWaalsContact OH-CD2 3.28Å; N33-H74 PolarHBondContact ND2-NE2 2.79Å; N33-H74 PolarHBondContact OD1-NE2 3.04Å; T71-H74 PolarHBondContact O-N 3.3Å; A72-H74 VanDerWaalsContact C-N 3.27Å; A72-H74 PolarHBondContact O-N 2.83Å; H74-Y76 VanDerWaalsContact C-N 3.33Å; H74-D77 IonicContact ND1-OD2 3.39Å; H74-H78 WeakPolarHBondContact O-CB 3.24Å; H74-H78 PolarHBondContact O-N 2.84Å; H74-L224 HydrophobicContact CB-CD2 4.11Å; H74-P250 VanDerWaalsContact C-CB 3.41Å; H74-P250 HydrophobicContact CB-CB 3.76Å; H74-P250 HydrophobicContact CB-CG 3.57Å; H74-P250 VanDerWaalsContact O-CB 3.31Å; H74-P250 WeakPolarHBondContact O-CB 3.31Å
75M98.5Very high97.1Very high0 Ų017.5 Ų17.50%09%0.092CC..Hα-helixtrans-63.8-40.3168.3-66.3172.860.300110.9T71 A72 A79 L133 A137 L149 V154 L157 P250T71-M75 PolarHBondContact O-N 3.23Å; A72-M75 WeakPolarHBondContact O-CA 3.42Å; A72-M75 VanDerWaalsContact O-CB 3.3Å; A72-M75 WeakPolarHBondContact O-CB 3.24Å; A72-M75 PolarHBondContact O-N 2.9Å; M75-A79 VanDerWaalsContact O-CB 3.23Å; M75-A79 WeakPolarHBondContact O-CB 3.5Å; M75-A79 PolarHBondContact O-N 3.25Å; M75-L133 HydrophobicContact CE-CD1 4.41Å; M75-L133 HydrophobicContact CE-CD2 4.32Å; M75-L133 HydrophobicContact CE-CG 4.16Å; M75-L133 HydrophobicContact SD-CD1 4.37Å; M75-A137 HydrophobicContact CE-CB 3.97Å; M75-A137 HydrophobicContact SD-CB 4.18Å; M75-L149 HydrophobicContact CB-CD1 3.85Å; M75-L149 HydrophobicContact CE-CD1 4.12Å; M75-V154 HydrophobicContact CE-CG2 4.15Å; M75-L157 HydrophobicContact CB-CD1 4.5Å; M75-P250 HydrophobicContact CG-CB 4.19Å
76Y97.9Very high96.6Very high52 Ų5217.9 Ų17.920%0.2049%0.094CC..Hα-helixtrans-63.4-50.9174.6-75.7-93.8000111.6A72 P73 H74 H78 A79 A80 W140 A141 T147 P148 L149A72-Y76 WeakPolarHBondContact O-CD2 3.45Å; A72-Y76 PolarHBondContact O-N 3.01Å; P73-Y76 PolarHBondContact O-N 3.3Å; H74-Y76 VanDerWaalsContact C-N 3.33Å; Y76-H78 VanDerWaalsContact C-N 3.32Å; Y76-H78 PolarHBondContact O-N 3.45Å; Y76-A79 PolarHBondContact O-N 3.06Å; Y76-A80 WeakPolarHBondContact O-CB 3.48Å; Y76-A80 PolarHBondContact O-N 3.49Å; Y76-W140 HydrophobicContact CD2-CZ3 4.13Å; Y76-W140 HydrophobicContact CE2-CE3 4.05Å; Y76-W140 AromaticContact CE2-CZ3 3.7Å; Y76-W140 HydrophobicContact CE2-CZ3 3.7Å; Y76-A141 WeakPolarHBondContact OH-CB 3.41Å; Y76-T147 WeakPolarHBondContact CE1-O 3.36Å; Y76-T147 VanDerWaalsContact CZ-O 3.28Å; Y76-T147 PolarHBondContact OH-O 3.46Å; Y76-P148 WeakPolarHBondContact OH-CA 3.47Å; Y76-L149 HydrophobicContact CD1-CD2 3.62Å; Y76-L149 HydrophobicContact CD1-CG 4Å; Y76-L149 HydrophobicContact CD2-CD1 4.31Å; Y76-L149 HydrophobicContact CD2-CG 4.27Å; Y76-L149 HydrophobicContact CE1-CD2 3.67Å; Y76-L149 HydrophobicContact CE1-CG 3.69Å; Y76-L149 HydrophobicContact CE2-CD1 4.22Å; Y76-L149 HydrophobicContact CE2-CG 3.95Å; Y76-L149 HydrophobicContact CG-CD2 4.11Å; Y76-L149 HydrophobicContact CG-CG 4.29Å; Y76-L149 PolarHBondContact OH-N 3.5Å; Y76-L149 VanDerWaalsContact OH-N 3.16Å
77D98.1Very high96.3Very high38 Ų3818.2 Ų18.220%0.20310%0.096CC..Hα-helixtrans-57.1-47.4178.5-72-23.5000111P73 H74 A80 N81 L224 Q500P73-D77 PolarHBondContact O-N 3.46Å; H74-D77 IonicContact ND1-OD2 3.39Å; D77-A80 PolarHBondContact O-N 2.96Å; D77-N81 WeakPolarHBondContact O-CB 3.1Å; D77-N81 PolarHBondContact O-N 2.86Å; D77-N81 PolarHBondContact O-ND2 3.46Å; D77-N81 PolarHBondContact O-OD1 2.97Å; D77-L224 HydrophobicContact CB-CD2 3.62Å; D77-Q500 HydrophobicContact CB-CB 4.18Å
78H98.1Very high95.7Very high1 Ų122.3 Ų22.31%0.00511%0.114CC..Hα-helixtrans-67.8-42-178-160.952.5000112.4H74 Y76 A80 N81 M82 L224 Y249 P250 F252H74-H78 WeakPolarHBondContact O-CB 3.24Å; H74-H78 PolarHBondContact O-N 2.84Å; Y76-H78 VanDerWaalsContact C-N 3.32Å; Y76-H78 PolarHBondContact O-N 3.45Å; H78-A80 VanDerWaalsContact C-N 3.35Å; H78-A80 PolarHBondContact O-N 3.4Å; H78-N81 PolarHBondContact O-N 3.14Å; H78-M82 WeakPolarHBondContact O-CB 3.36Å; H78-M82 WeakPolarHBondContact O-CG 3.34Å; H78-M82 PolarHBondContact O-N 3.38Å; H78-L224 HydrophobicContact CB-CD2 4.01Å; H78-Y249 AromaticContact CE1-CD1 3.61Å; H78-Y249 AromaticContact NE2-CD1 3.61Å; H78-Y249 AromaticContact NE2-CG 3.74Å; H78-P250 HydrophobicContact CB-CB 4.23Å; H78-P250 HydrophobicContact CB-CG 4.15Å; H78-F252 AromaticContact CD2-CE2 3.41Å; H78-F252 VanDerWaalsContact CD2-CE2 3.41Å; H78-F252 WeakPolarHBondContact CD2-CE2 3.43Å; H78-F252 AromaticContact NE2-CE2 3.38Å; H78-F252 WeakPolarHBondContact NE2-CE2 3.49Å; H78-F252 AromaticContact NE2-CZ 3.74Å
79A97.6Very high95.2Very high9 Ų924.4 Ų24.47%0.07413%0.125CC..Hα-helixtrans-60.6-44.4174.200000111.3M75 Y76 N81 M82 Y83 L157M75-A79 VanDerWaalsContact O-CB 3.23Å; M75-A79 WeakPolarHBondContact O-CB 3.5Å; M75-A79 PolarHBondContact O-N 3.25Å; Y76-A79 PolarHBondContact O-N 3.06Å; A79-N81 VanDerWaalsContact C-N 3.27Å; A79-N81 PolarHBondContact O-N 3.01Å; A79-M82 PolarHBondContact O-N 3.01Å; A79-Y83 WeakPolarHBondContact O-CB 3.45Å; A79-Y83 PolarHBondContact O-N 2.69Å; A79-L157 HydrophobicContact CB-CD2 4.11Å
80A96.8Very high94.8Very high22 Ų2228.5 Ų28.518%0.18215%0.154CC..Hα-helixtrans-63.1-33.2178.100000113.1Y76 D77 H78 P84 R498Y76-A80 WeakPolarHBondContact O-CB 3.48Å; Y76-A80 PolarHBondContact O-N 3.49Å; D77-A80 PolarHBondContact O-N 2.96Å; H78-A80 VanDerWaalsContact C-N 3.35Å; H78-A80 PolarHBondContact O-N 3.4Å; A80-P84 WeakPolarHBondContact O-CD 3.3Å; A80-R498 WeakPolarHBondContact O-CD 3.31Å
81N97.1Very high94.5Very high0 Ų032.3 Ų32.30%018%0.177CC..Hα-helixtrans-76.4-45177-67.3-17.7000112.4D77 H78 A79 P84 Q85 A221 H499 Q500D77-N81 WeakPolarHBondContact O-CB 3.1Å; D77-N81 PolarHBondContact O-N 2.86Å; D77-N81 PolarHBondContact O-ND2 3.46Å; D77-N81 PolarHBondContact O-OD1 2.97Å; H78-N81 PolarHBondContact O-N 3.14Å; A79-N81 VanDerWaalsContact C-N 3.27Å; A79-N81 PolarHBondContact O-N 3.01Å; N81-P84 WeakPolarHBondContact O-CD 3.43Å; N81-P84 WeakPolarHBondContact O-CG 3.24Å; N81-Q85 WeakPolarHBondContact O-CG 3.42Å; N81-A221 HydrophobicContact CB-CB 4.41Å; N81-H499 WeakPolarHBondContact OD1-CA 3.19Å; N81-H499 PolarHBondContact OD1-N 2.95Å; N81-Q500 PolarHBondContact ND2-N 3.44Å; N81-Q500 PolarHBondContact ND2-O 2.58Å; N81-Q500 PolarHBondContact OD1-N 3.14Å
82M95.1Very high94.2Very high1 Ų132.4 Ų32.41%0.00518%0.178CC..Hα-helixtrans-82.5-34.7-172.6-70.5-50.3-53.200113.9H78 A79 Q85 L86 F156 V160 F218 T219 A222H78-M82 WeakPolarHBondContact O-CB 3.36Å; H78-M82 WeakPolarHBondContact O-CG 3.34Å; H78-M82 PolarHBondContact O-N 3.38Å; A79-M82 PolarHBondContact O-N 3.01Å; M82-Q85 HydrophobicContact CE-CB 4.3Å; M82-Q85 HydrophobicContact CE-CG 4.39Å; M82-Q85 VanDerWaalsContact O-CB 3.3Å; M82-Q85 WeakPolarHBondContact O-CB 3.35Å; M82-Q85 PolarHBondContact O-N 3.23Å; M82-L86 PolarHBondContact O-N 3.11Å; M82-F156 HydrophobicContact CB-CE1 4.09Å; M82-F156 HydrophobicContact CB-CZ 4.43Å; M82-V160 HydrophobicContact CE-CG1 4.17Å; M82-F218 HydrophobicContact CE-CD1 4.33Å; M82-F218 HydrophobicContact CE-CE1 3.37Å; M82-F218 HydrophobicContact CE-CZ 3.86Å; M82-T219 HydrophobicContact CE-CG2 4.08Å; M82-T219 HydrophobicContact SD-CG2 4.22Å; M82-A222 HydrophobicContact CE-CB 4.5Å; M82-A222 HydrophobicContact SD-CB 3.71Å
83Y94.9Very high94Very high55 Ų5536.2 Ų36.222%0.21619%0.192CC..Hα-helixtrans-50.1-53.1179.9-176.3-83.2000113.4A79 Q85 L86 I87 R93 F152A79-Y83 WeakPolarHBondContact O-CB 3.45Å; A79-Y83 PolarHBondContact O-N 2.69Å; Y83-Q85 PolarHBondContact O-N 2.87Å; Y83-L86 PolarHBondContact O-N 3.45Å; Y83-I87 HydrophobicContact CD1-CB 4.4Å; Y83-I87 HydrophobicContact CD2-CB 4.47Å; Y83-I87 HydrophobicContact CD2-CG1 4.39Å; Y83-I87 HydrophobicContact CE1-CB 3.98Å; Y83-I87 HydrophobicContact CE1-CG2 4.06Å; Y83-I87 HydrophobicContact CE2-CB 4.08Å; Y83-I87 HydrophobicContact CE2-CG1 4.13Å; Y83-I87 HydrophobicContact CE2-CG2 4.2Å; Y83-I87 PolarHBondContact O-N 2.74Å; Y83-I87 WeakPolarHBondContact OH-CG2 3.5Å; Y83-R93 VanDerWaalsContact CZ-NH1 3.31Å; Y83-R93 VanDerWaalsContact OH-CD 3.25Å; Y83-R93 WeakPolarHBondContact OH-CD 3.08Å; Y83-R93 WeakPolarHBondContact OH-CG 3.27Å; Y83-R93 PolarHBondContact OH-NH1 2.77Å; Y83-F152 HydrophobicContact CE2-CE1 4.22Å
84P92.4Very high93.9Very high35 Ų3537.2 Ų37.223%0.22720%0.2CC..Hα-helixtrans-71-10.9179.931.3-38.9000113.7A80 N81 K88A80-P84 WeakPolarHBondContact O-CD 3.3Å; N81-P84 WeakPolarHBondContact O-CD 3.43Å; N81-P84 WeakPolarHBondContact O-CG 3.24Å; P84-K88 WeakPolarHBondContact O-CD 3.39Å; P84-K88 WeakPolarHBondContact O-CE 3.46Å; P84-K88 PolarHBondContact O-NZ 3.07Å
85Q89.4Confident93.9Very high46 Ų4637.6 Ų37.622%0.21521%0.208CC..Hα-helixtrans-74.7-37.4176-53.4-58.3-36.800110.8N81 M82 Y83 K88 T219 A221N81-Q85 WeakPolarHBondContact O-CG 3.42Å; M82-Q85 HydrophobicContact CE-CB 4.3Å; M82-Q85 HydrophobicContact CE-CG 4.39Å; M82-Q85 VanDerWaalsContact O-CB 3.3Å; M82-Q85 WeakPolarHBondContact O-CB 3.35Å; M82-Q85 PolarHBondContact O-N 3.23Å; Y83-Q85 PolarHBondContact O-N 2.87Å; Q85-K88 WeakPolarHBondContact O-CE 3.17Å; Q85-K88 PolarHBondContact O-NZ 3.43Å; Q85-K88 VanDerWaalsContact O-NZ 3.12Å; Q85-T219 HydrophobicContact CB-CG2 4.4Å; Q85-T219 HydrophobicContact CG-CG2 3.99Å; Q85-A221 HydrophobicContact CG-CB 4.28Å
86L89.5Confident93.8Very high20 Ų2037.6 Ų37.611%0.10521%0.208CC..Hα-helixtrans-104.6-43.1-175.9-64.1174.5000113.2M82 Y83 F156 V160 L163 L164 I167M82-L86 PolarHBondContact O-N 3.11Å; Y83-L86 PolarHBondContact O-N 3.45Å; L86-F156 HydrophobicContact CB-CE2 4.18Å; L86-F156 HydrophobicContact CB-CZ 4.35Å; L86-F156 HydrophobicContact CD1-CE2 3.91Å; L86-F156 HydrophobicContact CD1-CZ 3.9Å; L86-V160 HydrophobicContact CD1-CB 4.3Å; L86-V160 HydrophobicContact CD1-CG1 4.07Å; L86-V160 HydrophobicContact CD1-CG2 4.09Å; L86-L163 HydrophobicContact CD1-CB 4.1Å; L86-L163 HydrophobicContact CD1-CD1 4.07Å; L86-L164 HydrophobicContact CD2-CD2 3.68Å; L86-I167 HydrophobicContact CB-CD1 4.22Å; L86-I167 WeakPolarHBondContact O-CD1 3.26Å
87I90.8Very high93.7Very high6 Ų639 Ų393%0.03122%0.216CC..  trans-100.798.5-174.3-52.4-61.5000109.7Y83 I92 R93 V96 F156 I167Y83-I87 HydrophobicContact CD1-CB 4.4Å; Y83-I87 HydrophobicContact CD2-CB 4.47Å; Y83-I87 HydrophobicContact CD2-CG1 4.39Å; Y83-I87 HydrophobicContact CE1-CB 3.98Å; Y83-I87 HydrophobicContact CE1-CG2 4.06Å; Y83-I87 HydrophobicContact CE2-CB 4.08Å; Y83-I87 HydrophobicContact CE2-CG1 4.13Å; Y83-I87 HydrophobicContact CE2-CG2 4.2Å; Y83-I87 PolarHBondContact O-N 2.74Å; Y83-I87 WeakPolarHBondContact OH-CG2 3.5Å; I87-I92 HydrophobicContact CD1-CG2 3.83Å; I87-I92 HydrophobicContact CG2-CG2 4.48Å; I87-R93 HydrophobicContact CG2-CB 3.62Å; I87-R93 HydrophobicContact CG2-CG 4.25Å; I87-V96 HydrophobicContact CD1-CB 4.35Å; I87-V96 HydrophobicContact CD1-CG1 4.4Å; I87-V96 HydrophobicContact CD1-CG2 4.14Å; I87-F156 HydrophobicContact CD1-CE2 4.49Å; I87-F156 HydrophobicContact CG1-CD2 4.48Å; I87-F156 HydrophobicContact CG1-CE2 3.94Å; I87-I167 HydrophobicContact CD1-CD1 4.17Å
88K86.2Confident93.7Very high87 Ų8740.7 Ų40.738%0.37823%0.226SC..  trans-89.4-24.3-173.5-56.8-61.5-178.1-179.40114.8P84 Q85 I92P84-K88 WeakPolarHBondContact O-CD 3.39Å; P84-K88 WeakPolarHBondContact O-CE 3.46Å; P84-K88 PolarHBondContact O-NZ 3.07Å; Q85-K88 WeakPolarHBondContact O-CE 3.17Å; Q85-K88 PolarHBondContact O-NZ 3.43Å; Q85-K88 VanDerWaalsContact O-NZ 3.12Å; K88-I92 HydrophobicContact CB-CD1 4.27Å
89N88.1Confident93.8Very high44 Ų4441.3 Ų41.324%0.23523%0.228CC..SBendtrans-151.3165.3-176.766.756.1000111.9T91 I92 R93 A175N89-T91 VanDerWaalsContact C-N 3.29Å; N89-T91 PolarHBondContact O-N 3.49Å; N89-T91 WeakPolarHBondContact OD1-CA 3.31Å; N89-T91 VanDerWaalsContact OD1-CB 3.31Å; N89-T91 WeakPolarHBondContact OD1-CB 3.49Å; N89-T91 PolarHBondContact OD1-N 2.77Å; N89-I92 WeakPolarHBondContact ND2-CD1 3.38Å; N89-I92 PolarHBondContact O-N 3.22Å; N89-I92 WeakPolarHBondContact OD1-CG1 3.32Å; N89-I92 PolarHBondContact OD1-N 2.94Å; N89-R93 PolarHBondContact O-N 2.88Å; N89-R93 VanDerWaalsContact O-N 3.12Å; N89-A175 PolarHBondContact ND2-O 2.98Å; N89-A175 VanDerWaalsContact ND2-O 3.09Å
90P91.5Very high93.8Very high101 Ų10141.3 Ų41.366%0.65623%0.227SC*.Hα-helixtrans-61-31.7-179.2-25.836.1000114.4R93 S94P90-R93 WeakPolarHBondContact O-CB 3.34Å; P90-R93 PolarHBondContact O-N 2.91Å; P90-S94 PolarHBondContact O-N 2.98Å; P90-S94 PolarHBondContact O-OG 3.05Å; P90-S94 VanDerWaalsContact O-OG 3.11Å
91T92.4Very high93.9Very high93 Ų9344.7 Ų44.757%0.57124%0.24SC*.Hα-helixtrans-65.1-46.6178.6-53.30000111.2N89 R93 S94 G95 F171N89-T91 VanDerWaalsContact C-N 3.29Å; N89-T91 PolarHBondContact O-N 3.49Å; N89-T91 WeakPolarHBondContact OD1-CA 3.31Å; N89-T91 VanDerWaalsContact OD1-CB 3.31Å; N89-T91 WeakPolarHBondContact OD1-CB 3.49Å; N89-T91 PolarHBondContact OD1-N 2.77Å; T91-R93 VanDerWaalsContact C-N 3.34Å; T91-S94 PolarHBondContact O-N 3.02Å; T91-G95 PolarHBondContact O-N 2.8Å; T91-F171 HydrophobicContact CG2-CE1 4.12Å
92I91.3Very high93.9Very high2 Ų249.3 Ų49.31%0.0126%0.26CS..Hα-helixtrans-60.3-47174.6-64.9172.6000109.8I87 K88 N89 S94 G95 V96 I167 F171I87-I92 HydrophobicContact CD1-CG2 3.83Å; I87-I92 HydrophobicContact CG2-CG2 4.48Å; K88-I92 HydrophobicContact CB-CD1 4.27Å; N89-I92 WeakPolarHBondContact ND2-CD1 3.38Å; N89-I92 PolarHBondContact O-N 3.22Å; N89-I92 WeakPolarHBondContact OD1-CG1 3.32Å; N89-I92 PolarHBondContact OD1-N 2.94Å; I92-S94 PolarHBondContact O-N 3.13Å; I92-G95 PolarHBondContact O-N 3.02Å; I92-V96 HydrophobicContact CG2-CG2 4.14Å; I92-V96 WeakPolarHBondContact O-CB 3.47Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.38Å; I92-V96 PolarHBondContact O-N 3.15Å; I92-I167 HydrophobicContact CG2-CD1 4.12Å; I92-I167 HydrophobicContact CG2-CG1 4.22Å; I92-I167 HydrophobicContact CG2-CG2 4.27Å; I92-F171 HydrophobicContact CB-CE2 4.34Å; I92-F171 HydrophobicContact CG1-CD2 4.31Å; I92-F171 HydrophobicContact CG1-CE2 4.32Å; I92-F171 HydrophobicContact CG2-CE2 4.22Å
93R93.9Very high94.1Very high81 Ų8149.6 Ų49.631%0.30626%0.261SS..Hα-helixtrans-53.1-54.1177.8-173-167.8173.3101.9-1.3111.1Y83 I87 N89 P90 T91 V96 Q97Y83-R93 VanDerWaalsContact CZ-NH1 3.31Å; Y83-R93 VanDerWaalsContact OH-CD 3.25Å; Y83-R93 WeakPolarHBondContact OH-CD 3.08Å; Y83-R93 WeakPolarHBondContact OH-CG 3.27Å; Y83-R93 PolarHBondContact OH-NH1 2.77Å; I87-R93 HydrophobicContact CG2-CB 3.62Å; I87-R93 HydrophobicContact CG2-CG 4.25Å; N89-R93 PolarHBondContact O-N 2.88Å; N89-R93 VanDerWaalsContact O-N 3.12Å; P90-R93 WeakPolarHBondContact O-CB 3.34Å; P90-R93 PolarHBondContact O-N 2.91Å; T91-R93 VanDerWaalsContact C-N 3.34Å; R93-V96 PolarHBondContact O-N 3.09Å; R93-Q97 VanDerWaalsContact O-CB 3.22Å; R93-Q97 WeakPolarHBondContact O-CB 3.35Å; R93-Q97 PolarHBondContact O-N 2.91Å
94S95.4Very high94.3Very high74 Ų7448.2 Ų48.252%0.51726%0.258SS..Hα-helixtrans-65-41.7-175-63.30000112.6P90 T91 I92 N98P90-S94 PolarHBondContact O-N 2.98Å; P90-S94 PolarHBondContact O-OG 3.05Å; P90-S94 VanDerWaalsContact O-OG 3.11Å; T91-S94 PolarHBondContact O-N 3.02Å; I92-S94 PolarHBondContact O-N 3.13Å; S94-N98 VanDerWaalsContact O-CB 3.29Å; S94-N98 WeakPolarHBondContact O-CB 3.32Å; S94-N98 PolarHBondContact O-N 2.96Å
95G95.9Very high94.6Very high22 Ų2251.7 Ų51.723%0.22727%0.271CS..Hα-helixtrans-69.6-41.4178.900000112.9T91 I92 N98 F99T91-G95 PolarHBondContact O-N 2.8Å; I92-G95 PolarHBondContact O-N 3.02Å; G95-N98 PolarHBondContact O-N 3.1Å; G95-F99 WeakPolarHBondContact O-CB 3.47Å; G95-F99 PolarHBondContact O-N 3.02Å
96V96.6Very high95Very high0 Ų051.4 Ų51.40%027%0.268CS..Hα-helixtrans-62-48.3173.7169.90000110.6I87 I92 R93 N98 F99 M100 F152 L163 I167 F171I87-V96 HydrophobicContact CD1-CB 4.35Å; I87-V96 HydrophobicContact CD1-CG1 4.4Å; I87-V96 HydrophobicContact CD1-CG2 4.14Å; I92-V96 HydrophobicContact CG2-CG2 4.14Å; I92-V96 WeakPolarHBondContact O-CB 3.47Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.38Å; I92-V96 PolarHBondContact O-N 3.15Å; R93-V96 PolarHBondContact O-N 3.09Å; V96-N98 VanDerWaalsContact C-N 3.33Å; V96-N98 PolarHBondContact O-N 2.85Å; V96-F99 PolarHBondContact O-N 2.9Å; V96-M100 HydrophobicContact CG1-CG 4.21Å; V96-M100 HydrophobicContact CG1-SD 3.59Å; V96-M100 VanDerWaalsContact CG1-SD 3.59Å; V96-M100 WeakPolarHBondContact O-CB 3.36Å; V96-M100 VanDerWaalsContact O-CG 3.3Å; V96-M100 WeakPolarHBondContact O-CG 3.47Å; V96-M100 PolarHBondContact O-N 2.83Å; V96-F152 HydrophobicContact CG1-CE2 4.37Å; V96-F152 HydrophobicContact CG1-CZ 4.48Å; V96-L163 HydrophobicContact CG1-CD1 4.35Å; V96-L163 HydrophobicContact CG1-CD2 3.52Å; V96-L163 HydrophobicContact CG2-CD2 4.5Å; V96-I167 HydrophobicContact CG2-CD1 4.36Å; V96-I167 HydrophobicContact CG2-CG1 3.71Å; V96-F171 HydrophobicContact CG2-CE2 4.37Å
97Q97.5Very high95.5Very high82 Ų8250.5 Ų50.538%0.38326%0.263SS..Hα-helixtrans-59.2-43.7178.7-177.5173.7-4.500111.9R93 M101 F152R93-Q97 VanDerWaalsContact O-CB 3.22Å; R93-Q97 WeakPolarHBondContact O-CB 3.35Å; R93-Q97 PolarHBondContact O-N 2.91Å; Q97-M101 VanDerWaalsContact O-CB 3.27Å; Q97-M101 WeakPolarHBondContact O-CB 3.1Å; Q97-M101 PolarHBondContact O-N 2.92Å; Q97-F152 HydrophobicContact CB-CD2 3.86Å; Q97-F152 HydrophobicContact CB-CE2 3.66Å; Q97-F152 HydrophobicContact CB-CZ 4.41Å; Q97-F152 HydrophobicContact CG-CD2 3.7Å; Q97-F152 HydrophobicContact CG-CE2 4.06Å; Q97-F152 HydrophobicContact CG-CG 4.37Å
98N98.1Very high95.8Very high74 Ų7453.3 Ų53.340%0.39627%0.273SS..Hα-helixtrans-64.3-43.1177.2-177.143.3000112.3S94 G95 V96 M101 K102S94-N98 VanDerWaalsContact O-CB 3.29Å; S94-N98 WeakPolarHBondContact O-CB 3.32Å; S94-N98 PolarHBondContact O-N 2.96Å; G95-N98 PolarHBondContact O-N 3.1Å; V96-N98 VanDerWaalsContact C-N 3.33Å; V96-N98 PolarHBondContact O-N 2.85Å; N98-M101 PolarHBondContact O-N 3.18Å; N98-K102 WeakPolarHBondContact O-CG 3.47Å; N98-K102 PolarHBondContact O-N 3.17Å; N98-K102 VanDerWaalsContact O-N 3.13Å
99F98.4Very high96.4Very high13 Ų1353.6 Ų53.66%0.05728%0.276CS..Hα-helixtrans-62.6-50.4177-173.3-78000111.2G95 V96 M101 K102 Q103 L166 L170 V284 V285 P286 F290G95-F99 WeakPolarHBondContact O-CB 3.47Å; G95-F99 PolarHBondContact O-N 3.02Å; V96-F99 PolarHBondContact O-N 2.9Å; F99-M101 VanDerWaalsContact C-N 3.3Å; F99-M101 PolarHBondContact O-N 2.99Å; F99-K102 PolarHBondContact O-N 2.79Å; F99-Q103 HydrophobicContact CE1-CB 4.43Å; F99-Q103 WeakPolarHBondContact O-CB 3.35Å; F99-Q103 PolarHBondContact O-N 2.68Å; F99-L166 HydrophobicContact CB-CD2 4.41Å; F99-L166 HydrophobicContact CD1-CD1 3.75Å; F99-L166 HydrophobicContact CD1-CD2 3.58Å; F99-L166 HydrophobicContact CD1-CG 4.32Å; F99-L166 HydrophobicContact CD2-CD1 3.85Å; F99-L166 HydrophobicContact CE1-CD1 3.63Å; F99-L166 HydrophobicContact CE1-CD2 4.01Å; F99-L166 HydrophobicContact CE1-CG 4.49Å; F99-L166 HydrophobicContact CE2-CD1 3.69Å; F99-L166 HydrophobicContact CG-CD1 3.86Å; F99-L166 HydrophobicContact CG-CD2 4.05Å; F99-L166 HydrophobicContact CZ-CD1 3.57Å; F99-L170 HydrophobicContact CB-CD1 4.05Å; F99-L170 HydrophobicContact CD2-CD1 4.33Å; F99-L170 HydrophobicContact CD2-CD2 3.86Å; F99-L170 HydrophobicContact CE2-CD2 4.36Å; F99-L170 HydrophobicContact CG-CD1 4.35Å; F99-V284 HydrophobicContact CE2-CG1 4.26Å; F99-V284 HydrophobicContact CZ-CG1 3.8Å; F99-V285 WeakPolarHBondContact CZ-O 3.43Å; F99-P286 HydrophobicContact CD1-CB 4.38Å; F99-P286 HydrophobicContact CD2-CB 4.27Å; F99-P286 HydrophobicContact CD2-CG 4.5Å; F99-P286 HydrophobicContact CE1-CB 4.16Å; F99-P286 HydrophobicContact CE2-CB 4.1Å; F99-P286 HydrophobicContact CE2-CG 4.31Å; F99-P286 HydrophobicContact CG-CB 4.44Å; F99-P286 HydrophobicContact CZ-CB 4.04Å; F99-P286 VanDerWaalsContact CZ-N 3.32Å; F99-F290 HydrophobicContact CD1-CE1 4.33Å; F99-F290 HydrophobicContact CD1-CZ 4Å; F99-F290 AromaticContact CE1-CE1 3.76Å; F99-F290 HydrophobicContact CE1-CE1 3.76Å; F99-F290 AromaticContact CE1-CZ 3.88Å; F99-F290 HydrophobicContact CE1-CZ 3.88Å
100M98.3Very high96.9Very high10 Ų1053.7 Ų53.75%0.04928%0.275CS..Hα-helixtrans-62.3-37.5-179.8-68.9178.667.800112.1V96 Q103 D104 F152 H155 A159 L163 F290V96-M100 HydrophobicContact CG1-CG 4.21Å; V96-M100 HydrophobicContact CG1-SD 3.59Å; V96-M100 VanDerWaalsContact CG1-SD 3.59Å; V96-M100 WeakPolarHBondContact O-CB 3.36Å; V96-M100 VanDerWaalsContact O-CG 3.3Å; V96-M100 WeakPolarHBondContact O-CG 3.47Å; V96-M100 PolarHBondContact O-N 2.83Å; M100-Q103 PolarHBondContact O-N 3.22Å; M100-D104 WeakPolarHBondContact O-CB 3.41Å; M100-D104 PolarHBondContact O-N 2.94Å; M100-F152 HydrophobicContact SD-CE2 4.07Å; M100-H155 HydrophobicContact CE-CB 3.75Å; M100-A159 HydrophobicContact CE-CB 3.62Å; M100-A159 HydrophobicContact SD-CB 4.36Å; M100-L163 HydrophobicContact SD-CD2 4.13Å; M100-F290 HydrophobicContact CG-CE2 4.04Å; M100-F290 HydrophobicContact CG-CZ 4.06Å
101M98.3Very high97.3Very high93 Ų9350.1 Ų50.146%0.45825%0.25SS..Hα-helixtrans-61.2-46.7174.4179-170.668.100111.6Q97 N98 F99 Q103 D104 Q105Q97-M101 VanDerWaalsContact O-CB 3.27Å; Q97-M101 WeakPolarHBondContact O-CB 3.1Å; Q97-M101 PolarHBondContact O-N 2.92Å; N98-M101 PolarHBondContact O-N 3.18Å; F99-M101 VanDerWaalsContact C-N 3.3Å; F99-M101 PolarHBondContact O-N 2.99Å; M101-Q103 VanDerWaalsContact C-N 3.34Å; M101-D104 PolarHBondContact O-N 2.83Å; M101-Q105 WeakPolarHBondContact O-CB 3.27Å; M101-Q105 VanDerWaalsContact O-CG 3.24Å; M101-Q105 WeakPolarHBondContact O-CG 3.46Å; M101-Q105 PolarHBondContact O-N 2.95Å
102K98.7Very high97.5Very high96 Ų9653.3 Ų53.342%0.41725%0.252SS..Hα-helixtrans-63.9-40.9177.2-70.4177.3179.6-173.20111.8N98 F99 Q105 W106 P286N98-K102 WeakPolarHBondContact O-CG 3.47Å; N98-K102 PolarHBondContact O-N 3.17Å; N98-K102 VanDerWaalsContact O-N 3.13Å; F99-K102 PolarHBondContact O-N 2.79Å; K102-Q105 PolarHBondContact O-N 2.96Å; K102-W106 WeakPolarHBondContact O-CB 3.42Å; K102-W106 PolarHBondContact O-N 3.47Å; K102-P286 HydrophobicContact CB-CB 3.79Å; K102-P286 HydrophobicContact CB-CG 4.11Å; K102-P286 HydrophobicContact CD-CG 4.38Å
103Q98.6Very high97.9Very high7 Ų758.3 Ų58.33%0.03328%0.279CS..Hα-helixtrans-63.7-43.9178.3-169.6-78.4-31.400112F99 M100 M101 W106 T107 P286 S288 F290F99-Q103 HydrophobicContact CE1-CB 4.43Å; F99-Q103 WeakPolarHBondContact O-CB 3.35Å; F99-Q103 PolarHBondContact O-N 2.68Å; M100-Q103 PolarHBondContact O-N 3.22Å; M101-Q103 VanDerWaalsContact C-N 3.34Å; Q103-W106 PolarHBondContact O-N 2.91Å; Q103-T107 PolarHBondContact NE2-OG1 3.01Å; Q103-T107 WeakPolarHBondContact O-CB 3.38Å; Q103-T107 PolarHBondContact O-N 2.94Å; Q103-T107 PolarHBondContact O-OG1 3.05Å; Q103-P286 WeakPolarHBondContact CA-O 3.34Å; Q103-P286 HydrophobicContact CB-CB 4.14Å; Q103-P286 WeakPolarHBondContact CG-O 3.39Å; Q103-S288 WeakPolarHBondContact CG-O 3.4Å; Q103-S288 PolarHBondContact NE2-O 2.94Å; Q103-F290 HydrophobicContact CB-CZ 4.44Å; Q103-F290 HydrophobicContact CG-CD2 4.46Å; Q103-F290 HydrophobicContact CG-CE1 4.34Å; Q103-F290 HydrophobicContact CG-CE2 4.18Å; Q103-F290 HydrophobicContact CG-CZ 4.12Å
104D98.6Very high98.1Very high27 Ų2757.1 Ų57.114%0.14428%0.278CS..Hα-helixtrans-64.9-43.7175.3-179.476000111.6M100 M101 W106 T107 R108 H155M100-D104 WeakPolarHBondContact O-CB 3.41Å; M100-D104 PolarHBondContact O-N 2.94Å; M101-D104 PolarHBondContact O-N 2.83Å; D104-W106 PolarHBondContact O-N 2.83Å; D104-T107 PolarHBondContact O-N 2.9Å; D104-R108 WeakPolarHBondContact O-CB 3.28Å; D104-R108 WeakPolarHBondContact O-CG 3.36Å; D104-R108 PolarHBondContact O-N 3.15Å; D104-R108 IonicContact OD1-CZ 2.69Å; D104-R108 IonicContact OD1-NE 2.69Å; D104-R108 PolarHBondContact OD1-NE 3.41Å; D104-R108 VanDerWaalsContact OD1-NE 3.13Å; D104-R108 IonicContact OD1-NH2 2.86Å; D104-R108 PolarHBondContact OD1-NH2 2.92Å; D104-R108 WeakPolarHBondContact OD2-CD 3.4Å; D104-R108 IonicContact OD2-CZ 3.91Å; D104-R108 IonicContact OD2-NE 3.94Å; D104-R108 PolarHBondContact OD2-NE 3.34Å; D104-R108 IonicContact OD2-NH2 3.27Å; D104-H155 IonicContact OD1-CE1 2.79Å
105Q98.6Very high98Very high107 Ų10760.3 Ų60.350%0.528%0.283SS..Hα-helixtrans-59.1-47.4175.7-76.1173.1-7.600112M101 K102 R108 Q109M101-Q105 WeakPolarHBondContact O-CB 3.27Å; M101-Q105 VanDerWaalsContact O-CG 3.24Å; M101-Q105 WeakPolarHBondContact O-CG 3.46Å; M101-Q105 PolarHBondContact O-N 2.95Å; K102-Q105 PolarHBondContact O-N 2.96Å; Q105-R108 PolarHBondContact O-N 3.48Å; Q105-Q109 WeakPolarHBondContact O-CB 3.26Å; Q105-Q109 PolarHBondContact O-N 3.39Å
106W98.8Very high97.9Very high41 Ų4166.3 Ų66.316%0.15531%0.31CS..Hα-helixtrans-62.1-46.6176.5176.187000111.2K102 Q103 D104 R108 Q109 Q110 W120 E287 S288 L289 C315K102-W106 WeakPolarHBondContact O-CB 3.42Å; K102-W106 PolarHBondContact O-N 3.47Å; Q103-W106 PolarHBondContact O-N 2.91Å; D104-W106 PolarHBondContact O-N 2.83Å; W106-R108 PolarHBondContact O-N 2.95Å; W106-Q109 WeakPolarHBondContact O-CB 3.25Å; W106-Q109 PolarHBondContact O-N 2.97Å; W106-Q109 VanDerWaalsContact O-N 3.08Å; W106-Q110 HydrophobicContact CD2-CG 3.93Å; W106-Q110 HydrophobicContact CE3-CG 4.35Å; W106-Q110 HydrophobicContact CG-CG 4.48Å; W106-Q110 HydrophobicContact CH2-CG 4.14Å; W106-Q110 HydrophobicContact CZ2-CG 3.7Å; W106-Q110 HydrophobicContact CZ3-CG 4.44Å; W106-Q110 WeakPolarHBondContact O-CG 3.49Å; W106-Q110 PolarHBondContact O-N 3.1Å; W106-W120 AromaticContact CH2-CH2 3.68Å; W106-W120 HydrophobicContact CH2-CH2 3.68Å; W106-W120 HydrophobicContact CH2-CZ2 4.23Å; W106-W120 HydrophobicContact CZ2-CH2 4.4Å; W106-W120 AromaticContact CZ3-CH2 3.88Å; W106-W120 HydrophobicContact CZ3-CH2 3.88Å; W106-E287 HydrophobicContact CD2-CB 4.26Å; W106-E287 HydrophobicContact CG-CB 4.25Å; W106-E287 HydrophobicContact CG-CG 4.19Å; W106-E287 HydrophobicContact CZ2-CB 4.46Å; W106-S288 VanDerWaalsContact CZ3-O 3.3Å; W106-S288 WeakPolarHBondContact CZ3-O 3.24Å; W106-L289 HydrophobicContact CZ3-CD2 3.98Å; W106-L289 HydrophobicContact CZ3-CG 4.05Å; W106-C315 HydrophobicContact CH2-CB 4.24Å
107T98.8Very high98Very high0 Ų069.3 Ų69.30%033%0.326CS..Hα-helixtrans-55.9-50.3177.6-62.70000111.2Q103 D104 Q109 Q110 I111 I127 L289Q103-T107 PolarHBondContact NE2-OG1 3.01Å; Q103-T107 WeakPolarHBondContact O-CB 3.38Å; Q103-T107 PolarHBondContact O-N 2.94Å; Q103-T107 PolarHBondContact O-OG1 3.05Å; D104-T107 PolarHBondContact O-N 2.9Å; T107-Q109 VanDerWaalsContact C-N 3.29Å; T107-Q109 PolarHBondContact O-N 3.37Å; T107-Q110 PolarHBondContact O-N 2.8Å; T107-I111 HydrophobicContact CG2-CD1 3.83Å; T107-I111 VanDerWaalsContact O-CG1 3.3Å; T107-I111 WeakPolarHBondContact O-CG1 3.36Å; T107-I111 PolarHBondContact O-N 3.42Å; T107-I127 HydrophobicContact CG2-CD1 4.19Å; T107-I127 HydrophobicContact CG2-CG1 4.08Å; T107-L289 HydrophobicContact CG2-CD2 3.72Å; T107-L289 WeakPolarHBondContact OG1-CD2 3.3Å
108R98.6Very high98Very high65 Ų6567.1 Ų67.125%0.24532%0.319CS..Hα-helixtrans-66.8-28.9178.4-68.1176.9-172.6-90-0.6112.9D104 Q105 W106 R112 I127 D131D104-R108 WeakPolarHBondContact O-CB 3.28Å; D104-R108 WeakPolarHBondContact O-CG 3.36Å; D104-R108 PolarHBondContact O-N 3.15Å; D104-R108 IonicContact OD1-CZ 2.69Å; D104-R108 IonicContact OD1-NE 2.69Å; D104-R108 PolarHBondContact OD1-NE 3.41Å; D104-R108 VanDerWaalsContact OD1-NE 3.13Å; D104-R108 IonicContact OD1-NH2 2.86Å; D104-R108 PolarHBondContact OD1-NH2 2.92Å; D104-R108 WeakPolarHBondContact OD2-CD 3.4Å; D104-R108 IonicContact OD2-CZ 3.91Å; D104-R108 IonicContact OD2-NE 3.94Å; D104-R108 PolarHBondContact OD2-NE 3.34Å; D104-R108 IonicContact OD2-NH2 3.27Å; Q105-R108 PolarHBondContact O-N 3.48Å; W106-R108 PolarHBondContact O-N 2.95Å; R108-R112 VanDerWaalsContact O-CG 3.31Å; R108-R112 WeakPolarHBondContact O-CG 3.32Å; R108-R112 PolarHBondContact O-N 2.86Å; R108-R112 PolarHBondContact O-NE 3.22Å; R108-R112 VanDerWaalsContact O-NE 3.08Å; R108-I127 HydrophobicContact CG-CG2 4.37Å; R108-I127 VanDerWaalsContact CZ-CG2 3.44Å; R108-I127 VanDerWaalsContact NH1-CG2 3.34Å; R108-D131 IonicContact CZ-OD1 3.54Å; R108-D131 IonicContact CZ-OD2 3.5Å; R108-D131 IonicContact NH1-OD1 3.49Å; R108-D131 PolarHBondContact NH1-OD1 3.35Å; R108-D131 IonicContact NH1-OD2 2.7Å; R108-D131 PolarHBondContact NH1-OD2 3.29Å; R108-D131 IonicContact NH2-OD1 2.74Å; R108-D131 PolarHBondContact NH2-OD1 3.44Å; R108-D131 IonicContact NH2-OD2 3.55Å
109Q98.6Very high98.1Very high93 Ų9363.8 Ų63.844%0.43530%0.301SS..Hα-helixtrans-69.2-45.6172-174.4178.816.600111.1Q105 W106 T107 I111 R112 N113Q105-Q109 WeakPolarHBondContact O-CB 3.26Å; Q105-Q109 PolarHBondContact O-N 3.39Å; W106-Q109 WeakPolarHBondContact O-CB 3.25Å; W106-Q109 PolarHBondContact O-N 2.97Å; W106-Q109 VanDerWaalsContact O-N 3.08Å; T107-Q109 VanDerWaalsContact C-N 3.29Å; T107-Q109 PolarHBondContact O-N 3.37Å; Q109-I111 PolarHBondContact O-N 3.29Å; Q109-R112 PolarHBondContact O-N 2.81Å; Q109-N113 WeakPolarHBondContact O-CB 3.13Å; Q109-N113 VanDerWaalsContact O-CG 3.25Å; Q109-N113 PolarHBondContact O-N 2.86Å; Q109-N113 PolarHBondContact O-OD1 2.88Å
110Q98.6Very high98.1Very high47 Ų4764 Ų6422%0.2230%0.301CS..Hα-helixtrans-62.9-41.8177.7-67.4-56.9-41.600112.3W106 T107 R112 N113 N114 W120W106-Q110 HydrophobicContact CD2-CG 3.93Å; W106-Q110 HydrophobicContact CE3-CG 4.35Å; W106-Q110 HydrophobicContact CG-CG 4.48Å; W106-Q110 HydrophobicContact CH2-CG 4.14Å; W106-Q110 HydrophobicContact CZ2-CG 3.7Å; W106-Q110 HydrophobicContact CZ3-CG 4.44Å; W106-Q110 WeakPolarHBondContact O-CG 3.49Å; W106-Q110 PolarHBondContact O-N 3.1Å; T107-Q110 PolarHBondContact O-N 2.8Å; Q110-R112 VanDerWaalsContact C-N 3.32Å; Q110-R112 PolarHBondContact O-N 2.8Å; Q110-N113 PolarHBondContact O-N 2.71Å; Q110-N114 WeakPolarHBondContact O-CB 3.39Å; Q110-N114 PolarHBondContact O-N 2.7Å; Q110-N114 PolarHBondContact O-ND2 2.57Å; Q110-N114 PolarHBondContact OE1-ND2 3.14Å; Q110-N114 VanDerWaalsContact OE1-ND2 3.09Å; Q110-W120 HydrophobicContact CB-CD2 3.84Å; Q110-W120 HydrophobicContact CB-CE3 3.6Å; Q110-W120 HydrophobicContact CB-CH2 3.29Å; Q110-W120 HydrophobicContact CB-CZ2 3.52Å; Q110-W120 HydrophobicContact CB-CZ3 3.33Å; Q110-W120 HydrophobicContact CG-CH2 3.61Å; Q110-W120 HydrophobicContact CG-CZ2 3.77Å; Q110-W120 HydrophobicContact CG-CZ3 4.13Å
111I98.6Very high98.1Very high26 Ų2666.2 Ų66.213%0.13331%0.309CS..Hα-helixtrans-58-44.9174.1-67.8161.1000111T107 Q109 W120 A123 I127T107-I111 HydrophobicContact CG2-CD1 3.83Å; T107-I111 VanDerWaalsContact O-CG1 3.3Å; T107-I111 WeakPolarHBondContact O-CG1 3.36Å; T107-I111 PolarHBondContact O-N 3.42Å; Q109-I111 PolarHBondContact O-N 3.29Å; I111-W120 HydrophobicContact CG1-CE3 3.97Å; I111-A123 HydrophobicContact CD1-CB 4.08Å; I111-A123 HydrophobicContact CG1-CB 3.93Å; I111-I127 HydrophobicContact CD1-CB 4.24Å; I111-I127 HydrophobicContact CD1-CG1 3.77Å
112R98.2Very high98.1Very high159 Ų15961.8 Ų61.860%0.629%0.287SS*.Hα-helixtrans-67.6-35.9-180-76.7-178.4-69.5168.7-1113.3R108 Q109 Q110R108-R112 VanDerWaalsContact O-CG 3.31Å; R108-R112 WeakPolarHBondContact O-CG 3.32Å; R108-R112 PolarHBondContact O-N 2.86Å; R108-R112 PolarHBondContact O-NE 3.22Å; R108-R112 VanDerWaalsContact O-NE 3.08Å; Q109-R112 PolarHBondContact O-N 2.81Å; Q110-R112 VanDerWaalsContact C-N 3.32Å; Q110-R112 PolarHBondContact O-N 2.8Å
113N98.3Very high98.1Very high108 Ų10857.4 Ų57.458%0.57827%0.269SS*.Hα-helixtrans-82.8-22.9-175.7-69.8-3.3000113.1Q109 Q110Q109-N113 WeakPolarHBondContact O-CB 3.13Å; Q109-N113 VanDerWaalsContact O-CG 3.25Å; Q109-N113 PolarHBondContact O-N 2.86Å; Q109-N113 PolarHBondContact O-OD1 2.88Å; Q110-N113 PolarHBondContact O-N 2.71Å
114N97.7Very high98.1Very high55 Ų5557.5 Ų57.529%0.29427%0.272SS..  trans-123.243.4-172.5-54.8-78.9000112Q110 D116 D117 W120Q110-N114 WeakPolarHBondContact O-CB 3.39Å; Q110-N114 PolarHBondContact O-N 2.7Å; Q110-N114 PolarHBondContact O-ND2 2.57Å; Q110-N114 PolarHBondContact OE1-ND2 3.14Å; Q110-N114 VanDerWaalsContact OE1-ND2 3.09Å; N114-D116 PolarHBondContact O-N 3.02Å; N114-D116 VanDerWaalsContact O-N 3.15Å; N114-D117 HydrophobicContact CB-CB 4.14Å; N114-D117 WeakPolarHBondContact O-CB 3.45Å; N114-D117 PolarHBondContact O-N 3.42Å; N114-W120 HydrophobicContact CB-CB 3.9Å; N114-W120 HydrophobicContact CB-CG 3.72Å; N114-W120 WeakPolarHBondContact O-CB 3.39Å
115K93.2Very high98.1Very high141 Ų14156.8 Ų56.861%0.61327%0.267SS*.THydrogen-bonded Turntrans-59.7-26.5-174.1-66-177-178.8-176.50114.6R121K115-R121 VanDerWaalsContact O-CD 3.24Å; K115-R121 WeakPolarHBondContact O-CD 3.42Å; K115-R121 WeakPolarHBondContact O-CG 3.48Å
116D95.4Very high98.1Very high149 Ų14951.8 Ų51.880%0.79724%0.244SC*.THydrogen-bonded Turntrans-86.7-13.3179.6-58.2-42.4000112.5N114 P118 R121N114-D116 PolarHBondContact O-N 3.02Å; N114-D116 VanDerWaalsContact O-N 3.15Å; D116-P118 WeakPolarHBondContact O-CD 3.11Å; D116-R121 PolarHBondContact O-NH1 3.37Å
117D98.3Very high98.1Very high62 Ų6250.2 Ų50.233%0.33224%0.238SC..SBendtrans-77.2122.1176.3-174.9-56.3000110N114 F119 W120 R121N114-D117 HydrophobicContact CB-CB 4.14Å; N114-D117 WeakPolarHBondContact O-CB 3.45Å; N114-D117 PolarHBondContact O-N 3.42Å; D117-F119 VanDerWaalsContact C-N 3.27Å; D117-F119 PolarHBondContact O-N 2.96Å; D117-F119 WeakPolarHBondContact OD1-CA 3.3Å; D117-F119 WeakPolarHBondContact OD1-CB 3.42Å; D117-F119 PolarHBondContact OD1-N 2.98Å; D117-W120 HydrophobicContact CB-CB 4.31Å; D117-W120 PolarHBondContact O-N 3.38Å; D117-W120 VanDerWaalsContact O-N 3.13Å; D117-W120 PolarHBondContact OD1-N 2.85Å; D117-R121 WeakPolarHBondContact O-CG 3.45Å; D117-R121 PolarHBondContact O-N 3.37Å
118P98.3Very high98.1Very high36 Ų3651 Ų5123%0.23424%0.244CC..Hα-helixtrans-56.1-37.4-178.8-26.435000114.4D116 R121 H122 D238 M301D116-P118 WeakPolarHBondContact O-CD 3.11Å; P118-R121 PolarHBondContact O-N 3.46Å; P118-H122 PolarHBondContact O-N 2.72Å; P118-H122 PolarHBondContact O-ND1 2.88Å; P118-D238 HydrophobicContact CB-CB 3.77Å; P118-D238 WeakPolarHBondContact CB-OD2 3.39Å; P118-D238 HydrophobicContact CG-CB 4.39Å; P118-D238 WeakPolarHBondContact CG-OD2 3.16Å; P118-M301 HydrophobicContact CB-CE 3.76Å
119F98.7Very high98.1Very high4 Ų447.9 Ų47.92%0.01823%0.233CC..Hα-helixtrans-63.6-44.9178.7178.8-96.4000111.1D117 H122 A123 L289 I297 T311 K314D117-F119 VanDerWaalsContact C-N 3.27Å; D117-F119 PolarHBondContact O-N 2.96Å; D117-F119 WeakPolarHBondContact OD1-CA 3.3Å; D117-F119 WeakPolarHBondContact OD1-CB 3.42Å; D117-F119 PolarHBondContact OD1-N 2.98Å; F119-H122 PolarHBondContact O-N 2.84Å; F119-A123 PolarHBondContact O-N 3.37Å; F119-L289 HydrophobicContact CE1-CD1 3.55Å; F119-L289 HydrophobicContact CZ-CD1 3.58Å; F119-I297 HydrophobicContact CD2-CG2 3.59Å; F119-I297 HydrophobicContact CE1-CD1 4.41Å; F119-I297 HydrophobicContact CE2-CB 4.38Å; F119-I297 HydrophobicContact CE2-CD1 4.01Å; F119-I297 HydrophobicContact CE2-CG2 3.73Å; F119-I297 HydrophobicContact CG-CG2 4.46Å; F119-I297 HydrophobicContact CZ-CD1 3.95Å; F119-T311 HydrophobicContact CD2-CG2 4.08Å; F119-T311 HydrophobicContact CE2-CG2 4.23Å; F119-K314 HydrophobicContact CB-CD 4.4Å; F119-K314 HydrophobicContact CD1-CD 4.39Å; F119-K314 HydrophobicContact CD2-CB 4.36Å; F119-K314 HydrophobicContact CD2-CD 3.65Å; F119-K314 HydrophobicContact CE1-CB 4.18Å; F119-K314 HydrophobicContact CE2-CB 3.74Å; F119-K314 HydrophobicContact CE2-CD 3.9Å; F119-K314 HydrophobicContact CE2-CG 4.39Å; F119-K314 HydrophobicContact CG-CD 3.91Å; F119-K314 HydrophobicContact CZ-CB 3.62Å; F119-K314 HydrophobicContact CZ-CD 4.35Å
120W98.6Very high98.1Very high19 Ų1943.5 Ų43.57%0.07221%0.212CC..Hα-helixtrans-74.3-29.1179.3-71.6114.4000113.1W106 Q110 I111 N114 D117 A123 G124 L289W106-W120 AromaticContact CH2-CH2 3.68Å; W106-W120 HydrophobicContact CH2-CH2 3.68Å; W106-W120 HydrophobicContact CH2-CZ2 4.23Å; W106-W120 HydrophobicContact CZ2-CH2 4.4Å; W106-W120 AromaticContact CZ3-CH2 3.88Å; W106-W120 HydrophobicContact CZ3-CH2 3.88Å; Q110-W120 HydrophobicContact CB-CD2 3.84Å; Q110-W120 HydrophobicContact CB-CE3 3.6Å; Q110-W120 HydrophobicContact CB-CH2 3.29Å; Q110-W120 HydrophobicContact CB-CZ2 3.52Å; Q110-W120 HydrophobicContact CB-CZ3 3.33Å; Q110-W120 HydrophobicContact CG-CH2 3.61Å; Q110-W120 HydrophobicContact CG-CZ2 3.77Å; Q110-W120 HydrophobicContact CG-CZ3 4.13Å; I111-W120 HydrophobicContact CG1-CE3 3.97Å; N114-W120 HydrophobicContact CB-CB 3.9Å; N114-W120 HydrophobicContact CB-CG 3.72Å; N114-W120 WeakPolarHBondContact O-CB 3.39Å; D117-W120 HydrophobicContact CB-CB 4.31Å; D117-W120 PolarHBondContact O-N 3.38Å; D117-W120 VanDerWaalsContact O-N 3.13Å; D117-W120 PolarHBondContact OD1-N 2.85Å; W120-A123 HydrophobicContact CE3-CB 3.94Å; W120-A123 HydrophobicContact CZ3-CB 4.39Å; W120-A123 PolarHBondContact O-N 3.39Å; W120-G124 PolarHBondContact O-N 2.86Å; W120-L289 HydrophobicContact CH2-CD1 4.14Å; W120-L289 HydrophobicContact CH2-CD2 4.37Å; W120-L289 HydrophobicContact CH2-CG 4.28Å; W120-L289 HydrophobicContact CZ3-CD1 4.11Å; W120-L289 HydrophobicContact CZ3-CD2 4.15Å; W120-L289 HydrophobicContact CZ3-CG 4.42Å
121R98Very high98.1Very high55 Ų5543.6 Ų43.621%0.20821%0.214CC..Hα-helixtrans-60.2-46.9167-67.4-162.7-49.5-891.5111.8K115 D116 D117 P118 A123 G124 Y125 D236 D238K115-R121 VanDerWaalsContact O-CD 3.24Å; K115-R121 WeakPolarHBondContact O-CD 3.42Å; K115-R121 WeakPolarHBondContact O-CG 3.48Å; D116-R121 PolarHBondContact O-NH1 3.37Å; D117-R121 WeakPolarHBondContact O-CG 3.45Å; D117-R121 PolarHBondContact O-N 3.37Å; P118-R121 PolarHBondContact O-N 3.46Å; R121-A123 PolarHBondContact O-N 3.35Å; R121-G124 CarbonylContact O-C 3.53Å; R121-G124 WeakPolarHBondContact O-CA 3.41Å; R121-G124 PolarHBondContact O-N 3.12Å; R121-Y125 WeakPolarHBondContact O-CD1 3.46Å; R121-Y125 PolarHBondContact O-N 3.21Å; R121-D236 IonicContact CZ-OD2 3.86Å; R121-D236 IonicContact NE-OD2 2.72Å; R121-D236 PolarHBondContact NE-OD2 3.19Å; R121-D236 IonicContact NH2-OD1 2.68Å; R121-D236 PolarHBondContact NH2-OD1 3.49Å; R121-D236 VanDerWaalsContact NH2-OD1 3.11Å; R121-D236 IonicContact NH2-OD2 3.54Å; R121-D236 PolarHBondContact NH2-OD2 3.45Å; R121-D236 VanDerWaalsContact NH2-OD2 3.15Å; R121-D238 IonicContact CZ-OD2 2.76Å; R121-D238 IonicContact NH2-OD2 3.87Å; R121-D238 PolarHBondContact NH2-OD2 2.84Å
122H98.8Very high98.1Very high0 Ų042.4 Ų42.40%021%0.208CC..Hα-helixtrans-67.3-34.9178.3-73.975.9000112.4P118 F119 G124 Y125 I126 T239 I297 M301P118-H122 PolarHBondContact O-N 2.72Å; P118-H122 PolarHBondContact O-ND1 2.88Å; F119-H122 PolarHBondContact O-N 2.84Å; H122-G124 VanDerWaalsContact C-N 3.3Å; H122-G124 PolarHBondContact O-N 3.4Å; H122-Y125 WeakPolarHBondContact O-CB 3.44Å; H122-Y125 PolarHBondContact O-N 2.89Å; H122-I126 WeakPolarHBondContact O-CD1 3.3Å; H122-I126 WeakPolarHBondContact O-CG1 3.32Å; H122-I126 PolarHBondContact O-N 3.5Å; H122-I126 VanDerWaalsContact O-N 3.16Å; H122-T239 PolarHBondContact NE2-OG1 3.28Å; H122-I297 HydrophobicContact CB-CG1 4.44Å; H122-I297 HydrophobicContact CB-CG2 4Å; H122-M301 HydrophobicContact CB-CG 4.32Å; H122-M301 HydrophobicContact CB-SD 4Å; H122-M301 VanDerWaalsContact CD2-CG 3.48Å; H122-M301 WeakPolarHBondContact CD2-CG 3.48Å
123A98.8Very high98.1Very high4 Ų434.8 Ų34.83%0.03318%0.179CC..Hα-helixtrans-59.2-43.4168.100000110.9I111 F119 W120 R121 Y125 I126 I127 I297I111-A123 HydrophobicContact CD1-CB 4.08Å; I111-A123 HydrophobicContact CG1-CB 3.93Å; F119-A123 PolarHBondContact O-N 3.37Å; W120-A123 HydrophobicContact CE3-CB 3.94Å; W120-A123 HydrophobicContact CZ3-CB 4.39Å; W120-A123 PolarHBondContact O-N 3.39Å; R121-A123 PolarHBondContact O-N 3.35Å; A123-Y125 PolarHBondContact O-N 2.93Å; A123-I126 PolarHBondContact O-N 3.39Å; A123-I127 WeakPolarHBondContact O-CG1 3.37Å; A123-I127 PolarHBondContact O-N 3.16Å; A123-I297 HydrophobicContact CB-CD1 3.84Å
124G98.6Very high98.1Very high9 Ų932.4 Ų32.49%0.09316%0.163CC..Hα-helixtrans-54.6-46.2172.400000113.5W120 R121 H122 I126 I127 A128W120-G124 PolarHBondContact O-N 2.86Å; R121-G124 CarbonylContact O-C 3.53Å; R121-G124 WeakPolarHBondContact O-CA 3.41Å; R121-G124 PolarHBondContact O-N 3.12Å; H122-G124 VanDerWaalsContact C-N 3.3Å; H122-G124 PolarHBondContact O-N 3.4Å; G124-I126 PolarHBondContact O-N 3.26Å; G124-I127 PolarHBondContact O-N 3.43Å; G124-A128 WeakPolarHBondContact O-CB 3.46Å; G124-A128 PolarHBondContact O-N 3.41Å
125Y98.7Very high98.1Very high13 Ų1333 Ų335%0.05116%0.164CC..Hα-helixtrans-58.7-44.4176.9-64.6-11.8000112.8N56 E57 M60 R121 H122 A123 A128 Q129 I234 D236 M300N56-Y125 HydrophobicContact CB-CD1 4.17Å; N56-Y125 HydrophobicContact CB-CE1 3.53Å; N56-Y125 HydrophobicContact CB-CE2 4.12Å; N56-Y125 VanDerWaalsContact CB-CZ 3.49Å; N56-Y125 PolarHBondContact ND2-OH 3.31Å; E57-Y125 HydrophobicContact CG-CD1 3.92Å; E57-Y125 HydrophobicContact CG-CE1 3.94Å; M60-Y125 VanDerWaalsContact CB-O 3.28Å; M60-Y125 WeakPolarHBondContact CB-O 3.26Å; M60-Y125 HydrophobicContact CG-CG 4.42Å; R121-Y125 WeakPolarHBondContact O-CD1 3.46Å; R121-Y125 PolarHBondContact O-N 3.21Å; H122-Y125 WeakPolarHBondContact O-CB 3.44Å; H122-Y125 PolarHBondContact O-N 2.89Å; A123-Y125 PolarHBondContact O-N 2.93Å; Y125-A128 PolarHBondContact O-N 3.32Å; Y125-Q129 PolarHBondContact O-N 3.45Å; Y125-I234 HydrophobicContact CD2-CG2 4.38Å; Y125-I234 HydrophobicContact CE2-CG2 4.02Å; Y125-D236 HydrophobicContact CE2-CB 4.37Å; Y125-D236 PolarHBondContact OH-OD2 3.08Å; Y125-D236 VanDerWaalsContact OH-OD2 3.11Å; Y125-M300 HydrophobicContact CD2-CE 4.04Å
126I98.3Very high98.4Very high2 Ų226.3 Ų26.31%0.0114%0.135CC..Hα-helixtrans-71.2-38.7-178.8-66.4155.1000111.1H122 A123 G124 Q129 L130 W292 R296 I297 M300H122-I126 WeakPolarHBondContact O-CD1 3.3Å; H122-I126 WeakPolarHBondContact O-CG1 3.32Å; H122-I126 PolarHBondContact O-N 3.5Å; H122-I126 VanDerWaalsContact O-N 3.16Å; A123-I126 PolarHBondContact O-N 3.39Å; G124-I126 PolarHBondContact O-N 3.26Å; I126-Q129 WeakPolarHBondContact O-CB 3.43Å; I126-Q129 PolarHBondContact O-N 2.85Å; I126-L130 PolarHBondContact O-N 3.07Å; I126-W292 HydrophobicContact CG2-CE3 4.35Å; I126-W292 HydrophobicContact CG2-CH2 3.86Å; I126-W292 HydrophobicContact CG2-CZ3 3.4Å; I126-R296 HydrophobicContact CD1-CB 3.44Å; I126-R296 VanDerWaalsContact CD1-CB 3.44Å; I126-R296 HydrophobicContact CG1-CB 3.98Å; I126-R296 HydrophobicContact CG2-CB 4.33Å; I126-I297 HydrophobicContact CD1-CB 4.24Å; I126-I297 HydrophobicContact CD1-CD1 4.48Å; I126-I297 HydrophobicContact CD1-CG1 3.36Å; I126-M300 HydrophobicContact CD1-SD 4.41Å; I126-M300 HydrophobicContact CG1-SD 4.25Å
127I98.6Very high98.5Very high8 Ų819.3 Ų19.34%0.04110%0.099CC..Hα-helixtrans-67.6-38.5175-64.4-56.7000111.4T107 R108 I111 A123 G124 Q129 L130 D131T107-I127 HydrophobicContact CG2-CD1 4.19Å; T107-I127 HydrophobicContact CG2-CG1 4.08Å; R108-I127 HydrophobicContact CG-CG2 4.37Å; R108-I127 VanDerWaalsContact CZ-CG2 3.44Å; R108-I127 VanDerWaalsContact NH1-CG2 3.34Å; I111-I127 HydrophobicContact CD1-CB 4.24Å; I111-I127 HydrophobicContact CD1-CG1 3.77Å; A123-I127 WeakPolarHBondContact O-CG1 3.37Å; A123-I127 PolarHBondContact O-N 3.16Å; G124-I127 PolarHBondContact O-N 3.43Å; I127-Q129 VanDerWaalsContact C-N 3.3Å; I127-Q129 PolarHBondContact O-N 2.95Å; I127-L130 WeakPolarHBondContact O-CB 3.17Å; I127-L130 PolarHBondContact O-N 3.42Å; I127-L130 VanDerWaalsContact O-N 3.14Å; I127-D131 PolarHBondContact O-N 3.07Å
128A98.6Very high98.5Very high15 Ų1518.8 Ų18.812%0.12410%0.095CC..Hα-helixtrans-60.5-40.1172.900000111.8M60 Y61 G124 Y125 D131 G132M60-A128 HydrophobicContact CB-CB 4.35Å; Y61-A128 WeakPolarHBondContact CA-O 3.47Å; Y61-A128 WeakPolarHBondContact CD2-O 3.33Å; G124-A128 WeakPolarHBondContact O-CB 3.46Å; G124-A128 PolarHBondContact O-N 3.41Å; Y125-A128 PolarHBondContact O-N 3.32Å; A128-D131 PolarHBondContact O-N 3.42Å; A128-G132 PolarHBondContact O-N 3.49Å
129Q98.8Very high98.5Very high0 Ų019.4 Ų19.40%010%0.095CC..Hα-helixtrans-64.2-39.3173.6-165.3-174.217.100112.5M60 G64 Y125 I126 I127 G132 L133 L253M60-Q129 HydrophobicContact CB-CB 4.28Å; M60-Q129 HydrophobicContact CE-CB 4.06Å; M60-Q129 HydrophobicContact CE-CG 4.48Å; M60-Q129 WeakPolarHBondContact O-CA 2.97Å; G64-Q129 WeakPolarHBondContact CA-O 3.41Å; Y125-Q129 PolarHBondContact O-N 3.45Å; I126-Q129 WeakPolarHBondContact O-CB 3.43Å; I126-Q129 PolarHBondContact O-N 2.85Å; I127-Q129 VanDerWaalsContact C-N 3.3Å; I127-Q129 PolarHBondContact O-N 2.95Å; Q129-G132 PolarHBondContact O-N 3.11Å; Q129-L133 WeakPolarHBondContact O-CB 3.47Å; Q129-L133 PolarHBondContact O-N 3.33Å; Q129-L253 HydrophobicContact CB-CD1 4.07Å; Q129-L253 HydrophobicContact CG-CD1 3.82Å; Q129-L253 HydrophobicContact CG-CD2 4.19Å
130L98.8Very high98.4Very high2 Ų220.9 Ų20.91%0.0110%0.101CC..Hα-helixtrans-64.6-43.2175.9-178.162.7000111.8I126 I127 G132 L133 Y134 V154 L253 W292I126-L130 PolarHBondContact O-N 3.07Å; I127-L130 WeakPolarHBondContact O-CB 3.17Å; I127-L130 PolarHBondContact O-N 3.42Å; I127-L130 VanDerWaalsContact O-N 3.14Å; L130-G132 VanDerWaalsContact C-N 3.33Å; L130-G132 PolarHBondContact O-N 2.99Å; L130-L133 HydrophobicContact CD1-CD2 4.35Å; L130-L133 WeakPolarHBondContact O-CB 3.3Å; L130-L133 PolarHBondContact O-N 2.75Å; L130-Y134 PolarHBondContact O-N 2.95Å; L130-Y134 VanDerWaalsContact O-N 3.09Å; L130-V154 HydrophobicContact CD1-CG1 3.88Å; L130-L253 HydrophobicContact CB-CD1 4.06Å; L130-L253 HydrophobicContact CD1-CD1 4.26Å; L130-W292 HydrophobicContact CD2-CH2 4.02Å; L130-W292 HydrophobicContact CD2-CZ2 4.12Å
131D98.6Very high98.4Very high49 Ų4920 Ų2026%0.26210%0.097SC..Hα-helixtrans-62.3-43.2175.4-69.7-20.5000110.8Y61 R108 I127 A128 Y134 M135Y61-D131 HydrophobicContact CD2-CB 4.07Å; Y61-D131 HydrophobicContact CE2-CB 3.97Å; R108-D131 IonicContact CZ-OD1 3.54Å; R108-D131 IonicContact CZ-OD2 3.5Å; R108-D131 IonicContact NH1-OD1 3.49Å; R108-D131 PolarHBondContact NH1-OD1 3.35Å; R108-D131 IonicContact NH1-OD2 2.7Å; R108-D131 PolarHBondContact NH1-OD2 3.29Å; R108-D131 IonicContact NH2-OD1 2.74Å; R108-D131 PolarHBondContact NH2-OD1 3.44Å; R108-D131 IonicContact NH2-OD2 3.55Å; I127-D131 PolarHBondContact O-N 3.07Å; A128-D131 PolarHBondContact O-N 3.42Å; D131-Y134 PolarHBondContact O-N 2.95Å; D131-M135 VanDerWaalsContact O-CG 3.3Å; D131-M135 WeakPolarHBondContact O-CG 3.43Å; D131-M135 PolarHBondContact O-N 3.25Å; D131-M135 VanDerWaalsContact O-N 3.09Å
132G98.4Very high98.3Very high0 Ų024.1 Ų24.10%012%0.117CC..Hα-helixtrans-56.9-5017200000111.9Y61 F65 A128 Q129 L130 Y134 M135 G136Y61-G132 WeakPolarHBondContact O-CA 3.3Å; F65-G132 WeakPolarHBondContact CA-O 3.43Å; F65-G132 PolarHBondContact N-O 3.13Å; A128-G132 PolarHBondContact O-N 3.49Å; Q129-G132 PolarHBondContact O-N 3.11Å; L130-G132 VanDerWaalsContact C-N 3.33Å; L130-G132 PolarHBondContact O-N 2.99Å; G132-Y134 VanDerWaalsContact C-N 3.33Å; G132-Y134 PolarHBondContact O-N 3.42Å; G132-M135 PolarHBondContact O-N 3.22Å; G132-G136 PolarHBondContact O-N 3.09Å
133L98.8Very high98.2Very high0 Ų028.5 Ų28.50%014%0.14CC..Hα-helixtrans-54-47.9179.9-178.279.4000112.1G64 E67 G68 M75 Q129 L130 G136 A137 V154 G251 L253G64-L133 VanDerWaalsContact C-N 3.27Å; G64-L133 WeakPolarHBondContact O-CA 3.21Å; G64-L133 PolarHBondContact O-N 2.97Å; E67-L133 HydrophobicContact CB-CD1 4.01Å; E67-L133 HydrophobicContact CG-CD1 3.84Å; G68-L133 WeakPolarHBondContact CA-O 3.31Å; M75-L133 HydrophobicContact CE-CD1 4.41Å; M75-L133 HydrophobicContact CE-CD2 4.32Å; M75-L133 HydrophobicContact CE-CG 4.16Å; M75-L133 HydrophobicContact SD-CD1 4.37Å; Q129-L133 WeakPolarHBondContact O-CB 3.47Å; Q129-L133 PolarHBondContact O-N 3.33Å; L130-L133 HydrophobicContact CD1-CD2 4.35Å; L130-L133 WeakPolarHBondContact O-CB 3.3Å; L130-L133 PolarHBondContact O-N 2.75Å; L133-G136 PolarHBondContact O-N 2.84Å; L133-A137 PolarHBondContact O-N 3.29Å; L133-A137 VanDerWaalsContact O-N 3.12Å; L133-V154 HydrophobicContact CD2-CG1 3.65Å; L133-V154 HydrophobicContact CG-CG1 4.24Å; L133-G251 WeakPolarHBondContact CD2-O 3.21Å; L133-L253 HydrophobicContact CB-CD1 4.41Å; L133-L253 HydrophobicContact CD1-CD2 4.26Å; L133-L253 HydrophobicContact CD2-CD1 4.31Å; L133-L253 HydrophobicContact CD2-CD2 4.22Å; L133-L253 HydrophobicContact CD2-CG 4Å
134Y98.5Very high98.1Very high58 Ų5832.6 Ų32.623%0.22716%0.158CC..Hα-helixtrans-59.8-47.4175.6169.6-105000111.6L130 D131 G132 G136 A137 L138 L149 T151 V154L130-Y134 PolarHBondContact O-N 2.95Å; L130-Y134 VanDerWaalsContact O-N 3.09Å; D131-Y134 PolarHBondContact O-N 2.95Å; G132-Y134 VanDerWaalsContact C-N 3.33Å; G132-Y134 PolarHBondContact O-N 3.42Å; Y134-G136 VanDerWaalsContact C-N 3.35Å; Y134-G136 PolarHBondContact O-N 3.01Å; Y134-A137 PolarHBondContact O-N 2.97Å; Y134-L138 HydrophobicContact CE1-CD2 4.3Å; Y134-L138 WeakPolarHBondContact O-CB 3.41Å; Y134-L138 PolarHBondContact O-N 3.48Å; Y134-L149 WeakPolarHBondContact CE2-O 3.44Å; Y134-T151 HydrophobicContact CD1-CG2 4.31Å; Y134-T151 HydrophobicContact CD2-CG2 4.11Å; Y134-T151 HydrophobicContact CE1-CG2 3.98Å; Y134-T151 HydrophobicContact CE2-CG2 3.76Å; Y134-T151 HydrophobicContact CG-CG2 4.38Å; Y134-V154 HydrophobicContact CD2-CG2 3.98Å
135M98.1Very high98.1Very high67 Ų6741.6 Ų41.633%0.3319%0.194SC..Hα-helixtrans-67.6-34-177.3-68.7-61.2-59.800113.1Y61 F65 D131 G132 L138 E139Y61-M135 WeakPolarHBondContact OH-CG 3.37Å; F65-M135 HydrophobicContact CD2-CB 3.88Å; F65-M135 HydrophobicContact CE2-CB 4.2Å; F65-M135 WeakPolarHBondContact CE2-O 3.48Å; D131-M135 VanDerWaalsContact O-CG 3.3Å; D131-M135 WeakPolarHBondContact O-CG 3.43Å; D131-M135 PolarHBondContact O-N 3.25Å; D131-M135 VanDerWaalsContact O-N 3.09Å; G132-M135 PolarHBondContact O-N 3.22Å; M135-L138 HydrophobicContact CE-CD2 4.05Å; M135-L138 PolarHBondContact O-N 3.41Å; M135-L138 HydrophobicContact SD-CD2 3.9Å; M135-E139 PolarHBondContact O-N 3.34Å
136G98.1Very high98Very high0 Ų046.1 Ų46.10%022%0.216CC..Hα-helixtrans-64.9-4517300000112.7F65 Y69 G132 L133 Y134 L138 E139 W140F65-G136 VanDerWaalsContact CD2-N 3.35Å; F65-G136 VanDerWaalsContact O-CA 3.27Å; F65-G136 WeakPolarHBondContact O-CA 3.1Å; Y69-G136 WeakPolarHBondContact CA-O 2.95Å; G132-G136 PolarHBondContact O-N 3.09Å; L133-G136 PolarHBondContact O-N 2.84Å; Y134-G136 VanDerWaalsContact C-N 3.35Å; Y134-G136 PolarHBondContact O-N 3.01Å; G136-L138 VanDerWaalsContact C-N 3.32Å; G136-E139 PolarHBondContact O-N 3.49Å; G136-W140 PolarHBondContact O-N 2.69Å
137A98.4Very high97.9Very high3 Ų351.5 Ų51.53%0.02525%0.249CC..Hα-helixtrans-65-37.5175.500000112A72 M75 L133 Y134 W140 A141A72-A137 HydrophobicContact CB-CB 4.38Å; M75-A137 HydrophobicContact CE-CB 3.97Å; M75-A137 HydrophobicContact SD-CB 4.18Å; L133-A137 PolarHBondContact O-N 3.29Å; L133-A137 VanDerWaalsContact O-N 3.12Å; Y134-A137 PolarHBondContact O-N 2.97Å; A137-W140 PolarHBondContact O-N 2.88Å; A137-A141 WeakPolarHBondContact O-CB 3.29Å; A137-A141 PolarHBondContact O-N 2.97Å
138L97.9Very high97.8Very high50 Ų5054.2 Ų54.226%0.26227%0.267SS..Hα-helixtrans-62.9-44.9174.817964.3000112.1Y134 M135 G136 A141 K142 P148Y134-L138 HydrophobicContact CE1-CD2 4.3Å; Y134-L138 WeakPolarHBondContact O-CB 3.41Å; Y134-L138 PolarHBondContact O-N 3.48Å; M135-L138 HydrophobicContact CE-CD2 4.05Å; M135-L138 PolarHBondContact O-N 3.41Å; M135-L138 HydrophobicContact SD-CD2 3.9Å; G136-L138 VanDerWaalsContact C-N 3.32Å; L138-A141 PolarHBondContact O-N 2.87Å; L138-K142 WeakPolarHBondContact O-CB 3.41Å; L138-K142 PolarHBondContact O-N 2.93Å; L138-P148 HydrophobicContact CD1-CB 3.58Å; L138-P148 HydrophobicContact CD1-CG 3.59Å
139E97.5Very high97.8Very high49 Ų4954.2 Ų54.223%0.22927%0.265CS..Hα-helixtrans-64.7-41.7177.2-175.362.1-164.200111.1F65 M135 G136 A141 K142 L143F65-E139 HydrophobicContact CE2-CB 4.2Å; F65-E139 HydrophobicContact CZ-CB 3.73Å; F65-E139 HydrophobicContact CZ-CG 4.03Å; M135-E139 PolarHBondContact O-N 3.34Å; G136-E139 PolarHBondContact O-N 3.49Å; E139-A141 VanDerWaalsContact C-N 3.33Å; E139-A141 PolarHBondContact O-N 2.91Å; E139-K142 PolarHBondContact O-N 3.05Å; E139-K142 IonicContact OE1-NZ 2.73Å; E139-K142 IonicContact OE2-NZ 2.76Å; E139-K142 PolarHBondContact OE2-NZ 3.28Å; E139-L143 HydrophobicContact CG-CD1 4.48Å; E139-L143 WeakPolarHBondContact O-CG 3.29Å; E139-L143 PolarHBondContact O-N 3.3Å
140W97.9Very high97.7Very high36 Ų3656.2 Ų56.214%0.13628%0.279CS..Hα-helixtrans-57.4-47.4172.8179.893.6000111.4Y69 A72 P73 Y76 G136 A137 K142 L143 H144 Q146Y69-W140 HydrophobicContact CD2-CB 3.81Å; Y69-W140 HydrophobicContact CE2-CB 4.17Å; A72-W140 HydrophobicContact CB-CB 3.68Å; A72-W140 HydrophobicContact CB-CD2 3.44Å; A72-W140 VanDerWaalsContact CB-CD2 3.44Å; A72-W140 HydrophobicContact CB-CE3 3.57Å; A72-W140 HydrophobicContact CB-CG 3.46Å; A72-W140 VanDerWaalsContact CB-CG 3.46Å; A72-W140 HydrophobicContact CB-CZ3 4.41Å; P73-W140 HydrophobicContact CB-CZ2 4.26Å; P73-W140 HydrophobicContact CG-CH2 4.25Å; P73-W140 HydrophobicContact CG-CZ2 3.56Å; Y76-W140 HydrophobicContact CD2-CZ3 4.13Å; Y76-W140 HydrophobicContact CE2-CE3 4.05Å; Y76-W140 AromaticContact CE2-CZ3 3.7Å; Y76-W140 HydrophobicContact CE2-CZ3 3.7Å; G136-W140 PolarHBondContact O-N 2.69Å; A137-W140 PolarHBondContact O-N 2.88Å; W140-K142 VanDerWaalsContact C-N 3.34Å; W140-K142 PolarHBondContact O-N 2.62Å; W140-L143 PolarHBondContact O-N 3.12Å; W140-H144 AromaticContact CD1-CE1 3.4Å; W140-H144 AromaticContact CD1-ND1 3.55Å; W140-H144 AromaticContact CD2-ND1 3.73Å; W140-H144 AromaticContact CE2-CE1 3.7Å; W140-H144 AromaticContact CE2-CG 3.72Å; W140-H144 AromaticContact CE2-ND1 3.46Å; W140-H144 AromaticContact CG-ND1 3.75Å; W140-H144 HydrophobicContact CH2-CB 4.31Å; W140-H144 HydrophobicContact CZ2-CB 4.18Å; W140-H144 AromaticContact CZ2-CD2 4Å; W140-H144 AromaticContact CZ2-CG 3.81Å; W140-H144 AromaticContact NE1-CE1 3.13Å; W140-H144 PolarHBondContact NE1-CE1 2.93Å; W140-H144 AromaticContact NE1-CG 3.95Å; W140-H144 AromaticContact NE1-ND1 3.35Å; W140-H144 PolarHBondContact NE1-ND1 3.1Å; W140-H144 AromaticContact NE1-NE2 3.59Å; W140-H144 WeakPolarHBondContact O-CB 3.37Å; W140-H144 PolarHBondContact O-N 3.03Å; W140-H144 PolarHBondContact O-ND1 2.83Å; W140-Q146 HydrophobicContact CH2-CG 3.93Å; W140-Q146 HydrophobicContact CZ3-CB 4.11Å; W140-Q146 HydrophobicContact CZ3-CG 3.82Å
141A97.9Very high97.5Very high0 Ų059.9 Ų59.90%030%0.302CS..Hα-helixtrans-61-43-179.700000111.8Y76 A137 L138 E139 H144 K145 Q146 P148Y76-A141 WeakPolarHBondContact OH-CB 3.41Å; A137-A141 WeakPolarHBondContact O-CB 3.29Å; A137-A141 PolarHBondContact O-N 2.97Å; L138-A141 PolarHBondContact O-N 2.87Å; E139-A141 VanDerWaalsContact C-N 3.33Å; E139-A141 PolarHBondContact O-N 2.91Å; A141-H144 CarbonylContact O-C 3.5Å; A141-H144 PolarHBondContact O-N 2.72Å; A141-K145 WeakPolarHBondContact O-CA 3.49Å; A141-K145 PolarHBondContact O-N 2.83Å; A141-Q146 HydrophobicContact CB-CB 4.25Å; A141-Q146 PolarHBondContact O-N 3.26Å; A141-P148 HydrophobicContact CB-CB 4.5Å; A141-P148 HydrophobicContact CB-CG 4.4Å
142K97.2Very high97.4Very high141 Ų14158.2 Ų58.261%0.61329%0.292SS*.Hα-helixtrans-59.2-49.4175175.6-173.3162.1-1540112L138 E139 W140 H144 K145L138-K142 WeakPolarHBondContact O-CB 3.41Å; L138-K142 PolarHBondContact O-N 2.93Å; E139-K142 PolarHBondContact O-N 3.05Å; E139-K142 IonicContact OE1-NZ 2.73Å; E139-K142 IonicContact OE2-NZ 2.76Å; E139-K142 PolarHBondContact OE2-NZ 3.28Å; W140-K142 VanDerWaalsContact C-N 3.34Å; W140-K142 PolarHBondContact O-N 2.62Å; K142-H144 VanDerWaalsContact C-N 3.27Å; K142-H144 PolarHBondContact O-N 3.14Å; K142-K145 PolarHBondContact O-N 2.85Å
143L96.3Very high97.4Very high93 Ų9359.7 Ų59.749%0.48730%0.3SS..Hα-helixtrans-64-32.3179.8-67.4-178.6000112.6Y69 E139 W140Y69-L143 HydrophobicContact CE2-CD1 3.92Å; E139-L143 HydrophobicContact CG-CD1 4.48Å; E139-L143 WeakPolarHBondContact O-CG 3.29Å; E139-L143 PolarHBondContact O-N 3.3Å; W140-L143 PolarHBondContact O-N 3.12Å
144H96.8Very high97.4Very high89 Ų8959.7 Ų59.741%0.41230%0.3SS..THydrogen-bonded Turntrans-96.76.3-179-63.678.3000113.7W140 A141 K142 Q146W140-H144 AromaticContact CD1-CE1 3.4Å; W140-H144 AromaticContact CD1-ND1 3.55Å; W140-H144 AromaticContact CD2-ND1 3.73Å; W140-H144 AromaticContact CE2-CE1 3.7Å; W140-H144 AromaticContact CE2-CG 3.72Å; W140-H144 AromaticContact CE2-ND1 3.46Å; W140-H144 AromaticContact CG-ND1 3.75Å; W140-H144 HydrophobicContact CH2-CB 4.31Å; W140-H144 HydrophobicContact CZ2-CB 4.18Å; W140-H144 AromaticContact CZ2-CD2 4Å; W140-H144 AromaticContact CZ2-CG 3.81Å; W140-H144 AromaticContact NE1-CE1 3.13Å; W140-H144 PolarHBondContact NE1-CE1 2.93Å; W140-H144 AromaticContact NE1-CG 3.95Å; W140-H144 AromaticContact NE1-ND1 3.35Å; W140-H144 PolarHBondContact NE1-ND1 3.1Å; W140-H144 AromaticContact NE1-NE2 3.59Å; W140-H144 WeakPolarHBondContact O-CB 3.37Å; W140-H144 PolarHBondContact O-N 3.03Å; W140-H144 PolarHBondContact O-ND1 2.83Å; A141-H144 CarbonylContact O-C 3.5Å; A141-H144 PolarHBondContact O-N 2.72Å; K142-H144 VanDerWaalsContact C-N 3.27Å; K142-H144 PolarHBondContact O-N 3.14Å; H144-Q146 HydrophobicContact CB-CG 4Å; H144-Q146 PolarHBondContact O-N 2.82Å
145K97.2Very high97.3Very high198 Ų19858.7 Ų58.786%0.86130%0.297SS*.THydrogen-bonded Turntrans52.137.9-177-55.5178.8-178.2178.10113A141 K142A141-K145 WeakPolarHBondContact O-CA 3.49Å; A141-K145 PolarHBondContact O-N 2.83Å; K142-K145 PolarHBondContact O-N 2.85Å
146Q96.4Very high97.3Very high108 Ų10855.5 Ų55.551%0.50528%0.282SS..PPolyproline II helixtrans-95.6152.8176.7-65.2-60.9-3500110.9W140 A141 H144 P148W140-Q146 HydrophobicContact CH2-CG 3.93Å; W140-Q146 HydrophobicContact CZ3-CB 4.11Å; W140-Q146 HydrophobicContact CZ3-CG 3.82Å; A141-Q146 HydrophobicContact CB-CB 4.25Å; A141-Q146 PolarHBondContact O-N 3.26Å; H144-Q146 HydrophobicContact CB-CG 4Å; H144-Q146 PolarHBondContact O-N 2.82Å; Q146-P148 WeakPolarHBondContact O-CD 3.39Å
147T96.9Very high97.3Very high116 Ų11655.5 Ų55.571%0.71228%0.282SS*.PPolyproline II helixtrans-65124.9170.4-57.10000109.3Y76Y76-T147 WeakPolarHBondContact CE1-O 3.36Å; Y76-T147 VanDerWaalsContact CZ-O 3.28Å; Y76-T147 PolarHBondContact OH-O 3.46Å
148P97.1Very high97.3Very high64 Ų6455.5 Ų55.542%0.41628%0.281SS..PPolyproline II helixtrans-61.5142.7179.5-25.235.6000112.8Y76 L138 A141 Q146Y76-P148 WeakPolarHBondContact OH-CA 3.47Å; L138-P148 HydrophobicContact CD1-CB 3.58Å; L138-P148 HydrophobicContact CD1-CG 3.59Å; A141-P148 HydrophobicContact CB-CB 4.5Å; A141-P148 HydrophobicContact CB-CG 4.4Å; Q146-P148 WeakPolarHBondContact O-CD 3.39Å
149L97.2Very high97.3Very high15 Ų1553.1 Ų53.18%0.07927%0.269CS..PPolyproline II helixtrans-57.8141.5160.1-69.9175.2000108.8M75 Y76 Y134 D153 V154M75-L149 HydrophobicContact CB-CD1 3.85Å; M75-L149 HydrophobicContact CE-CD1 4.12Å; Y76-L149 HydrophobicContact CD1-CD2 3.62Å; Y76-L149 HydrophobicContact CD1-CG 4Å; Y76-L149 HydrophobicContact CD2-CD1 4.31Å; Y76-L149 HydrophobicContact CD2-CG 4.27Å; Y76-L149 HydrophobicContact CE1-CD2 3.67Å; Y76-L149 HydrophobicContact CE1-CG 3.69Å; Y76-L149 HydrophobicContact CE2-CD1 4.22Å; Y76-L149 HydrophobicContact CE2-CG 3.95Å; Y76-L149 HydrophobicContact CG-CD2 4.11Å; Y76-L149 HydrophobicContact CG-CG 4.29Å; Y76-L149 PolarHBondContact OH-N 3.5Å; Y76-L149 VanDerWaalsContact OH-N 3.16Å; Y134-L149 WeakPolarHBondContact CE2-O 3.44Å; L149-D153 HydrophobicContact CB-CB 4.25Å; L149-D153 HydrophobicContact CD2-CB 4.13Å; L149-V154 HydrophobicContact CB-CG2 4.33Å
150S96.8Very high97.2Very high43 Ų4350.8 Ų50.830%0.30126%0.258SS..PPolyproline II helixtrans-75161.6172.969.90000110.9F152 D153 V154S150-F152 PolarHBondContact O-N 2.98Å; S150-D153 WeakPolarHBondContact CB-OD2 3.4Å; S150-D153 PolarHBondContact N-OD2 2.76Å; S150-D153 PolarHBondContact O-N 3.06Å; S150-D153 PolarHBondContact OG-N 3.03Å; S150-D153 VanDerWaalsContact OG-N 3.17Å; S150-D153 PolarHBondContact OG-OD2 2.83Å; S150-V154 PolarHBondContact O-N 2.93Å
151T96.1Very high97Very high78 Ų7849.2 Ų49.248%0.47925%0.253SS..Hα-helixtrans-56.2-38170.750.90000111.5Y134 D153 V154 H155Y134-T151 HydrophobicContact CD1-CG2 4.31Å; Y134-T151 HydrophobicContact CD2-CG2 4.11Å; Y134-T151 HydrophobicContact CE1-CG2 3.98Å; Y134-T151 HydrophobicContact CE2-CG2 3.76Å; Y134-T151 HydrophobicContact CG-CG2 4.38Å; T151-D153 VanDerWaalsContact C-N 3.34Å; T151-D153 PolarHBondContact O-N 2.93Å; T151-V154 PolarHBondContact O-N 3.48Å; T151-H155 WeakPolarHBondContact O-CB 3.49Å; T151-H155 PolarHBondContact O-CD2 2.95Å; T151-H155 PolarHBondContact O-N 3.36Å
152F96.8Very high97Very high15 Ų1549.2 Ų49.27%0.06625%0.253CS..Hα-helixtrans-60.1-41.8174.2176.2-98000112.2Y83 V96 Q97 M100 S150 V154 H155 F156Y83-F152 HydrophobicContact CE2-CE1 4.22Å; V96-F152 HydrophobicContact CG1-CE2 4.37Å; V96-F152 HydrophobicContact CG1-CZ 4.48Å; Q97-F152 HydrophobicContact CB-CD2 3.86Å; Q97-F152 HydrophobicContact CB-CE2 3.66Å; Q97-F152 HydrophobicContact CB-CZ 4.41Å; Q97-F152 HydrophobicContact CG-CD2 3.7Å; Q97-F152 HydrophobicContact CG-CE2 4.06Å; Q97-F152 HydrophobicContact CG-CG 4.37Å; M100-F152 HydrophobicContact SD-CE2 4.07Å; S150-F152 PolarHBondContact O-N 2.98Å; F152-V154 PolarHBondContact O-N 2.7Å; F152-H155 PolarHBondContact O-N 3.44Å; F152-F156 HydrophobicContact CE1-CB 4.3Å; F152-F156 HydrophobicContact CZ-CB 4.43Å; F152-F156 WeakPolarHBondContact O-CB 3.33Å; F152-F156 PolarHBondContact O-N 2.95Å
153D97.3Very high96.9Very high31 Ų3142.5 Ų42.517%0.16622%0.224CC..Hα-helixtrans-64.2-42-179.4-58.6-47.9000111.3L149 S150 T151 F156 L157L149-D153 HydrophobicContact CB-CB 4.25Å; L149-D153 HydrophobicContact CD2-CB 4.13Å; S150-D153 WeakPolarHBondContact CB-OD2 3.4Å; S150-D153 PolarHBondContact N-OD2 2.76Å; S150-D153 PolarHBondContact O-N 3.06Å; S150-D153 PolarHBondContact OG-N 3.03Å; S150-D153 VanDerWaalsContact OG-N 3.17Å; S150-D153 PolarHBondContact OG-OD2 2.83Å; T151-D153 VanDerWaalsContact C-N 3.34Å; T151-D153 PolarHBondContact O-N 2.93Å; D153-F156 WeakPolarHBondContact O-CB 3.23Å; D153-F156 PolarHBondContact O-N 3.43Å; D153-L157 WeakPolarHBondContact O-CG 3.34Å; D153-L157 PolarHBondContact O-N 3.43Å; D153-L157 VanDerWaalsContact O-N 3.13Å
154V98Very high96.7Very high0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-68.1-41.3177.9179.60000111.7M75 L130 L133 Y134 L149 S150 T151 F152 N158M75-V154 HydrophobicContact CE-CG2 4.15Å; L130-V154 HydrophobicContact CD1-CG1 3.88Å; L133-V154 HydrophobicContact CD2-CG1 3.65Å; L133-V154 HydrophobicContact CG-CG1 4.24Å; Y134-V154 HydrophobicContact CD2-CG2 3.98Å; L149-V154 HydrophobicContact CB-CG2 4.33Å; S150-V154 PolarHBondContact O-N 2.93Å; T151-V154 PolarHBondContact O-N 3.48Å; F152-V154 PolarHBondContact O-N 2.7Å; V154-N158 PolarHBondContact O-N 3.4Å; V154-N158 PolarHBondContact O-ND2 2.82Å
155H97.6Very high96.4Very high36 Ų3634.8 Ų34.817%0.16719%0.186CC..Hα-helixtrans-67.4-38.8175.4-74-138.5000111.4M100 D104 T151 F152 L157 N158 A159M100-H155 HydrophobicContact CE-CB 3.75Å; D104-H155 IonicContact OD1-CE1 2.79Å; T151-H155 WeakPolarHBondContact O-CB 3.49Å; T151-H155 PolarHBondContact O-CD2 2.95Å; T151-H155 PolarHBondContact O-N 3.36Å; F152-H155 PolarHBondContact O-N 3.44Å; H155-L157 PolarHBondContact O-N 3Å; H155-N158 PolarHBondContact O-N 2.89Å; H155-A159 WeakPolarHBondContact O-CB 3.28Å; H155-A159 PolarHBondContact O-N 2.79Å
156F98Very high96.3Very high1 Ų125.3 Ų25.30%0.00415%0.145CC..Hα-helixtrans-57.1-47176.9165.6-94.6000111.2M82 L86 I87 F152 D153 N158 A159 V160 L163M82-F156 HydrophobicContact CB-CE1 4.09Å; M82-F156 HydrophobicContact CB-CZ 4.43Å; L86-F156 HydrophobicContact CB-CE2 4.18Å; L86-F156 HydrophobicContact CB-CZ 4.35Å; L86-F156 HydrophobicContact CD1-CE2 3.91Å; L86-F156 HydrophobicContact CD1-CZ 3.9Å; I87-F156 HydrophobicContact CD1-CE2 4.49Å; I87-F156 HydrophobicContact CG1-CD2 4.48Å; I87-F156 HydrophobicContact CG1-CE2 3.94Å; F152-F156 HydrophobicContact CE1-CB 4.3Å; F152-F156 HydrophobicContact CZ-CB 4.43Å; F152-F156 WeakPolarHBondContact O-CB 3.33Å; F152-F156 PolarHBondContact O-N 2.95Å; D153-F156 WeakPolarHBondContact O-CB 3.23Å; D153-F156 PolarHBondContact O-N 3.43Å; F156-N158 VanDerWaalsContact C-N 3.27Å; F156-N158 PolarHBondContact O-N 2.85Å; F156-A159 PolarHBondContact O-N 3.04Å; F156-A159 VanDerWaalsContact O-N 3.1Å; F156-V160 HydrophobicContact CE1-CG2 4.23Å; F156-V160 HydrophobicContact CZ-CG2 4.3Å; F156-V160 WeakPolarHBondContact O-CG2 3.45Å; F156-V160 PolarHBondContact O-N 2.7Å; F156-V160 VanDerWaalsContact O-N 3.14Å; F156-L163 HydrophobicContact CD2-CD1 3.41Å; F156-L163 VanDerWaalsContact CD2-CD1 3.41Å; F156-L163 HydrophobicContact CE2-CD1 3.46Å; F156-L163 VanDerWaalsContact CE2-CD1 3.46Å
157L98Very high96.1Very high0 Ų020.7 Ų20.70%012%0.123CC..Hα-helixtrans-55.8-43.8177.1-68.8173.3000111.4M75 A79 D153 H155 A159 F252M75-L157 HydrophobicContact CB-CD1 4.5Å; A79-L157 HydrophobicContact CB-CD2 4.11Å; D153-L157 WeakPolarHBondContact O-CG 3.34Å; D153-L157 PolarHBondContact O-N 3.43Å; D153-L157 VanDerWaalsContact O-N 3.13Å; H155-L157 PolarHBondContact O-N 3Å; L157-A159 VanDerWaalsContact C-N 3.33Å; L157-A159 PolarHBondContact O-N 3.33Å; L157-F252 HydrophobicContact CB-CD2 3.88Å; L157-F252 HydrophobicContact CB-CE2 3.74Å; L157-F252 HydrophobicContact CD2-CD2 4.45Å; L157-F252 HydrophobicContact CD2-CE2 3.78Å; L157-F252 HydrophobicContact CG-CE2 4.33Å; L157-F252 WeakPolarHBondContact O-CD1 3.47Å; L157-F252 WeakPolarHBondContact O-CE1 3.43Å; L157-F252 WeakPolarHBondContact O-CE2 3.49Å; L157-F252 WeakPolarHBondContact O-CZ 3.19Å
158N98.3Very high95.7Very high2 Ų215.9 Ų15.91%0.0119%0.094CC..Hα-helixtrans-72.7-25.3-179.7-74.1-83.8000113.6V154 H155 F156 G251 L253 W292V154-N158 PolarHBondContact O-N 3.4Å; V154-N158 PolarHBondContact O-ND2 2.82Å; H155-N158 PolarHBondContact O-N 2.89Å; F156-N158 VanDerWaalsContact C-N 3.27Å; F156-N158 PolarHBondContact O-N 2.85Å; N158-G251 PolarHBondContact ND2-O 2.84Å; N158-L253 WeakPolarHBondContact OD1-CA 3.48Å; N158-L253 WeakPolarHBondContact OD1-CB 3.3Å; N158-L253 PolarHBondContact OD1-N 3.27Å; N158-W292 HydrophobicContact CB-CD2 4.16Å; N158-W292 HydrophobicContact CB-CZ2 4.21Å; N158-W292 VanDerWaalsContact O-CG 3.3Å
159A97.4Very high95.5Very high0 Ų013.8 Ų13.80%08%0.082CC..Hα-helixtrans-93.71.1-178.900000114M100 H155 F156 L157 G161 D162 L163 F290M100-A159 HydrophobicContact CE-CB 3.62Å; M100-A159 HydrophobicContact SD-CB 4.36Å; H155-A159 WeakPolarHBondContact O-CB 3.28Å; H155-A159 PolarHBondContact O-N 2.79Å; F156-A159 PolarHBondContact O-N 3.04Å; F156-A159 VanDerWaalsContact O-N 3.1Å; L157-A159 VanDerWaalsContact C-N 3.33Å; L157-A159 PolarHBondContact O-N 3.33Å; A159-G161 PolarHBondContact O-N 2.63Å; A159-D162 WeakPolarHBondContact O-CA 3.25Å; A159-D162 WeakPolarHBondContact O-CB 3.41Å; A159-D162 PolarHBondContact O-N 2.83Å; A159-L163 HydrophobicContact CB-CD2 4.49Å; A159-L163 HydrophobicContact CB-CG 4.22Å; A159-L163 VanDerWaalsContact O-CG 3.32Å; A159-L163 WeakPolarHBondContact O-CG 3.32Å; A159-L163 PolarHBondContact O-N 2.86Å; A159-F290 HydrophobicContact CB-CD2 4.44Å; A159-F290 HydrophobicContact CB-CE2 4.36Å
160V96.1Very high95.2Very high0 Ų016.1 Ų16.10%09%0.094CC..Hα-helixtrans-48.3-42.9-173.4160.60000113.3M82 L86 F156 F218 F252 L256M82-V160 HydrophobicContact CE-CG1 4.17Å; L86-V160 HydrophobicContact CD1-CB 4.3Å; L86-V160 HydrophobicContact CD1-CG1 4.07Å; L86-V160 HydrophobicContact CD1-CG2 4.09Å; F156-V160 HydrophobicContact CE1-CG2 4.23Å; F156-V160 HydrophobicContact CZ-CG2 4.3Å; F156-V160 WeakPolarHBondContact O-CG2 3.45Å; F156-V160 PolarHBondContact O-N 2.7Å; F156-V160 VanDerWaalsContact O-N 3.14Å; V160-F218 HydrophobicContact CG1-CE1 4.09Å; V160-F218 HydrophobicContact CG1-CZ 4.37Å; V160-F252 HydrophobicContact CB-CE1 3.94Å; V160-F252 HydrophobicContact CB-CZ 3.78Å; V160-F252 HydrophobicContact CG1-CE1 4.42Å; V160-F252 HydrophobicContact CG1-CZ 4.24Å; V160-F252 HydrophobicContact CG2-CE1 4.3Å; V160-F252 HydrophobicContact CG2-CE2 4.46Å; V160-F252 HydrophobicContact CG2-CZ 3.65Å; V160-L256 HydrophobicContact CB-CD2 4.47Å; V160-L256 HydrophobicContact CG1-CD1 4.27Å; V160-L256 HydrophobicContact CG1-CD2 3.74Å
161G94.3Very high94.8Very high3 Ų315.6 Ų15.63%0.0319%0.086CC..Hα-helixtrans-67-45.4176.300000112.8A159 L163 L164 L256 Y320A159-G161 PolarHBondContact O-N 2.63Å; G161-L163 VanDerWaalsContact C-N 3.27Å; G161-L163 PolarHBondContact O-N 2.85Å; G161-L164 VanDerWaalsContact O-CB 3.3Å; G161-L164 WeakPolarHBondContact O-CB 3.19Å; G161-L164 WeakPolarHBondContact O-CG 3.48Å; G161-L164 PolarHBondContact O-N 3.45Å; G161-L256 VanDerWaalsContact CA-CD1 3.46Å; G161-Y320 WeakPolarHBondContact O-CD2 3.27Å
162D96.9Very high93.8Very high1 Ų118.7 Ų18.71%0.00510%0.096CC..Hα-helixtrans-63.1-33.2178.2-67.9-86000112.7A159 L164 D165 L166 F290 A291 T319A159-D162 WeakPolarHBondContact O-CA 3.25Å; A159-D162 WeakPolarHBondContact O-CB 3.41Å; A159-D162 PolarHBondContact O-N 2.83Å; D162-L164 PolarHBondContact O-N 3.12Å; D162-D165 PolarHBondContact O-N 3.3Å; D162-L166 WeakPolarHBondContact O-CB 3.34Å; D162-L166 PolarHBondContact O-N 3.33Å; D162-F290 HydrophobicContact CB-CB 4.43Å; D162-F290 HydrophobicContact CB-CD1 3.91Å; D162-F290 HydrophobicContact CB-CE1 4.34Å; D162-F290 HydrophobicContact CB-CG 4.13Å; D162-F290 WeakPolarHBondContact OD1-CA 3.46Å; D162-F290 WeakPolarHBondContact OD1-CB 3.14Å; D162-A291 WeakPolarHBondContact OD1-CB 2.98Å; D162-A291 PolarHBondContact OD1-N 2.79Å; D162-T319 WeakPolarHBondContact OD1-CB 3.42Å; D162-T319 PolarHBondContact OD1-OG1 2.93Å
163L95.1Very high92.2Very high0 Ų022.9 Ų22.90%011%0.112CC..Hα-helixtrans-65.1-22.6178.4-65.6-174000113.4L86 V96 M100 F156 A159 G161 D165 L166 I167L86-L163 HydrophobicContact CD1-CB 4.1Å; L86-L163 HydrophobicContact CD1-CD1 4.07Å; V96-L163 HydrophobicContact CG1-CD1 4.35Å; V96-L163 HydrophobicContact CG1-CD2 3.52Å; V96-L163 HydrophobicContact CG2-CD2 4.5Å; M100-L163 HydrophobicContact SD-CD2 4.13Å; F156-L163 HydrophobicContact CD2-CD1 3.41Å; F156-L163 VanDerWaalsContact CD2-CD1 3.41Å; F156-L163 HydrophobicContact CE2-CD1 3.46Å; F156-L163 VanDerWaalsContact CE2-CD1 3.46Å; A159-L163 HydrophobicContact CB-CD2 4.49Å; A159-L163 HydrophobicContact CB-CG 4.22Å; A159-L163 VanDerWaalsContact O-CG 3.32Å; A159-L163 WeakPolarHBondContact O-CG 3.32Å; A159-L163 PolarHBondContact O-N 2.86Å; G161-L163 VanDerWaalsContact C-N 3.27Å; G161-L163 PolarHBondContact O-N 2.85Å; L163-D165 VanDerWaalsContact C-N 3.28Å; L163-D165 PolarHBondContact O-N 3.39Å; L163-L166 HydrophobicContact CD2-CB 4.44Å; L163-L166 HydrophobicContact CD2-CD2 3.82Å; L163-I167 HydrophobicContact CB-CD1 4.26Å; L163-I167 WeakPolarHBondContact O-CB 3.39Å; L163-I167 WeakPolarHBondContact O-CG1 3.43Å; L163-I167 PolarHBondContact O-N 3.38Å; L163-I167 VanDerWaalsContact O-N 3.11Å
164L91.4Very high90.2Very high19 Ų1925.6 Ų25.610%0.09913%0.133CC..Hα-helixtrans-62.6-36.5176.8-60.4172.9000111.4L86 G161 D162 P168 M194 F218L86-L164 HydrophobicContact CD2-CD2 3.68Å; G161-L164 VanDerWaalsContact O-CB 3.3Å; G161-L164 WeakPolarHBondContact O-CB 3.19Å; G161-L164 WeakPolarHBondContact O-CG 3.48Å; G161-L164 PolarHBondContact O-N 3.45Å; D162-L164 PolarHBondContact O-N 3.12Å; L164-P168 WeakPolarHBondContact O-CD 3.39Å; L164-P168 WeakPolarHBondContact O-CG 3.36Å; L164-M194 HydrophobicContact CB-SD 3.78Å; L164-M194 WeakPolarHBondContact CD1-O 3.27Å; L164-M194 WeakPolarHBondContact O-CE 3.47Å; L164-F218 HydrophobicContact CD2-CE2 3.96Å; L164-F218 HydrophobicContact CD2-CZ 4.15Å
165D92.2Very high88.1Confident0 Ų027.7 Ų27.70%015%0.15CC..Hα-helixtrans-95.6-34175.6-70.8-67.5000112.7D162 L163 P168 A169 L281 T319 Y320 N321D162-D165 PolarHBondContact O-N 3.3Å; L163-D165 VanDerWaalsContact C-N 3.28Å; L163-D165 PolarHBondContact O-N 3.39Å; D165-P168 WeakPolarHBondContact O-CD 3.19Å; D165-A169 WeakPolarHBondContact O-CB 3.37Å; D165-A169 PolarHBondContact O-N 3.29Å; D165-L281 HydrophobicContact CB-CD2 4.37Å; D165-T319 HydrophobicContact CB-CG2 4.3Å; D165-Y320 WeakPolarHBondContact OD2-CA 3.47Å; D165-Y320 PolarHBondContact OD2-N 2.62Å; D165-N321 PolarHBondContact OD1-ND2 2.9Å; D165-N321 VanDerWaalsContact OD1-ND2 3.11Å; D165-N321 PolarHBondContact OD2-N 3.35Å; D165-N321 PolarHBondContact OD2-ND2 3.48Å; D165-N321 VanDerWaalsContact OD2-ND2 3.15Å
166L94.9Very high86.1Confident0 Ų026.9 Ų26.90%015%0.146CC..Hα-helixtrans-65.8-44.3-177.2-179.463.2000112.3F99 D162 L163 P168 A169 L170 V284 F290 T319F99-L166 HydrophobicContact CB-CD2 4.41Å; F99-L166 HydrophobicContact CD1-CD1 3.75Å; F99-L166 HydrophobicContact CD1-CD2 3.58Å; F99-L166 HydrophobicContact CD1-CG 4.32Å; F99-L166 HydrophobicContact CD2-CD1 3.85Å; F99-L166 HydrophobicContact CE1-CD1 3.63Å; F99-L166 HydrophobicContact CE1-CD2 4.01Å; F99-L166 HydrophobicContact CE1-CG 4.49Å; F99-L166 HydrophobicContact CE2-CD1 3.69Å; F99-L166 HydrophobicContact CG-CD1 3.86Å; F99-L166 HydrophobicContact CG-CD2 4.05Å; F99-L166 HydrophobicContact CZ-CD1 3.57Å; D162-L166 WeakPolarHBondContact O-CB 3.34Å; D162-L166 PolarHBondContact O-N 3.33Å; L163-L166 HydrophobicContact CD2-CB 4.44Å; L163-L166 HydrophobicContact CD2-CD2 3.82Å; L166-P168 VanDerWaalsContact C-N 3.34Å; L166-A169 WeakPolarHBondContact O-CB 3.1Å; L166-A169 PolarHBondContact O-N 2.95Å; L166-A169 VanDerWaalsContact O-N 3.07Å; L166-L170 HydrophobicContact CD1-CD1 3.88Å; L166-L170 HydrophobicContact CD1-CD2 4.35Å; L166-L170 HydrophobicContact CD1-CG 3.88Å; L166-L170 HydrophobicContact CD2-CD1 4.39Å; L166-L170 HydrophobicContact CG-CD1 3.86Å; L166-L170 HydrophobicContact CG-CG 4.22Å; L166-L170 WeakPolarHBondContact O-CG 3.39Å; L166-L170 PolarHBondContact O-N 3.44Å; L166-V284 HydrophobicContact CD1-CG1 3.79Å; L166-F290 HydrophobicContact CD2-CE1 4.33Å; L166-F290 HydrophobicContact CD2-CZ 4.15Å; L166-T319 HydrophobicContact CB-CG2 4.17Å
167I92.6Very high83.6Confident10 Ų1030.5 Ų30.55%0.05117%0.171CC..Hα-helixtrans-60.5-45179.1-68.4169.7000109.9L86 I87 I92 V96 L163 A169 L170 F171L86-I167 HydrophobicContact CB-CD1 4.22Å; L86-I167 WeakPolarHBondContact O-CD1 3.26Å; I87-I167 HydrophobicContact CD1-CD1 4.17Å; I92-I167 HydrophobicContact CG2-CD1 4.12Å; I92-I167 HydrophobicContact CG2-CG1 4.22Å; I92-I167 HydrophobicContact CG2-CG2 4.27Å; V96-I167 HydrophobicContact CG2-CD1 4.36Å; V96-I167 HydrophobicContact CG2-CG1 3.71Å; L163-I167 HydrophobicContact CB-CD1 4.26Å; L163-I167 WeakPolarHBondContact O-CB 3.39Å; L163-I167 WeakPolarHBondContact O-CG1 3.43Å; L163-I167 PolarHBondContact O-N 3.38Å; L163-I167 VanDerWaalsContact O-N 3.11Å; I167-A169 VanDerWaalsContact C-N 3.34Å; I167-A169 PolarHBondContact O-N 3.15Å; I167-L170 PolarHBondContact O-N 2.83Å; I167-F171 HydrophobicContact CG2-CD2 4.22Å; I167-F171 WeakPolarHBondContact O-CD2 3.09Å; I167-F171 PolarHBondContact O-N 2.97Å
168P88.1Confident80.8Confident16 Ų1632.2 Ų32.210%0.10419%0.189CC..Hα-helixtrans-60.4-35.1169.9-30.137.3000116.4L164 D165 L166 L170 R176 M194 L281L164-P168 WeakPolarHBondContact O-CD 3.39Å; L164-P168 WeakPolarHBondContact O-CG 3.36Å; D165-P168 WeakPolarHBondContact O-CD 3.19Å; L166-P168 VanDerWaalsContact C-N 3.34Å; P168-L170 VanDerWaalsContact C-N 3.34Å; P168-R176 VanDerWaalsContact CA-NH2 3.3Å; P168-R176 PolarHBondContact O-NH2 3.42Å; P168-M194 HydrophobicContact CG-CE 3.88Å; P168-L281 HydrophobicContact CB-CD1 4.23Å
169A91.7Very high77.8Confident19 Ų1940.4 Ų40.416%0.15723%0.227CC..Hα-helixtrans-67.6-35.2176.900000112.6D165 L166 I167 L281 V284D165-A169 WeakPolarHBondContact O-CB 3.37Å; D165-A169 PolarHBondContact O-N 3.29Å; L166-A169 WeakPolarHBondContact O-CB 3.1Å; L166-A169 PolarHBondContact O-N 2.95Å; L166-A169 VanDerWaalsContact O-N 3.07Å; I167-A169 VanDerWaalsContact C-N 3.34Å; I167-A169 PolarHBondContact O-N 3.15Å; A169-L281 VanDerWaalsContact CB-O 3.28Å; A169-L281 WeakPolarHBondContact CB-O 3.41Å; A169-V284 HydrophobicContact CB-CB 3.92Å; A169-V284 HydrophobicContact CB-CG1 4.44Å; A169-V284 HydrophobicContact CB-CG2 4.09Å
170L91.3Very high74.6Confident65 Ų6544.7 Ų44.734%0.3426%0.256SS..Hα-helixtrans-87.5-29.4-172.9-67.3-179.7000115.1F99 L166 I167 P168F99-L170 HydrophobicContact CB-CD1 4.05Å; F99-L170 HydrophobicContact CD2-CD1 4.33Å; F99-L170 HydrophobicContact CD2-CD2 3.86Å; F99-L170 HydrophobicContact CE2-CD2 4.36Å; F99-L170 HydrophobicContact CG-CD1 4.35Å; L166-L170 HydrophobicContact CD1-CD1 3.88Å; L166-L170 HydrophobicContact CD1-CD2 4.35Å; L166-L170 HydrophobicContact CD1-CG 3.88Å; L166-L170 HydrophobicContact CD2-CD1 4.39Å; L166-L170 HydrophobicContact CG-CD1 3.86Å; L166-L170 HydrophobicContact CG-CG 4.22Å; L166-L170 WeakPolarHBondContact O-CG 3.39Å; L166-L170 PolarHBondContact O-N 3.44Å; I167-L170 PolarHBondContact O-N 2.83Å; P168-L170 VanDerWaalsContact C-N 3.34Å
171F88.1Confident71.6Confident31 Ų3151.5 Ų51.514%0.13629%0.293CS..SBendtrans-128.2144.4-168.9-58.1-75.9000111.3T91 I92 V96 I167 A175 R176T91-F171 HydrophobicContact CG2-CE1 4.12Å; I92-F171 HydrophobicContact CB-CE2 4.34Å; I92-F171 HydrophobicContact CG1-CD2 4.31Å; I92-F171 HydrophobicContact CG1-CE2 4.32Å; I92-F171 HydrophobicContact CG2-CE2 4.22Å; V96-F171 HydrophobicContact CG2-CE2 4.37Å; I167-F171 HydrophobicContact CG2-CD2 4.22Å; I167-F171 WeakPolarHBondContact O-CD2 3.09Å; I167-F171 PolarHBondContact O-N 2.97Å; F171-A175 HydrophobicContact CB-CB 4.41Å; F171-R176 HydrophobicContact CB-CG 4.15Å; F171-R176 PolarHBondContact O-NE 2.72Å; F171-R176 PolarHBondContact O-NH2 3.09Å
172E76.5Confident68.9Low143 Ų14354.1 Ų54.167%0.66831%0.308SS*.  trans-73.2157169.3-65.1-170.2168.700111.9S174 A175 R176E172-S174 VanDerWaalsContact C-N 3.27Å; E172-S174 PolarHBondContact O-N 3.17Å; E172-S174 VanDerWaalsContact O-N 3.16Å; E172-A175 PolarHBondContact O-N 3.29Å; E172-R176 WeakPolarHBondContact O-CG 3.21Å; E172-R176 PolarHBondContact O-N 2.79Å
173Y63.4Low65.8Low103 Ų10362.2 Ų62.240%0.40435%0.346SS..Hα-helixtrans-53.2-38.8-175-175.3-90.1000114.1A175 R176 S177 W192Y173-A175 VanDerWaalsContact C-N 3.28Å; Y173-A175 PolarHBondContact O-N 2.89Å; Y173-R176 WeakPolarHBondContact O-CB 3.21Å; Y173-R176 PolarHBondContact O-N 3.03Å; Y173-S177 PolarHBondContact O-N 3.23Å; Y173-W192 AromaticContact CD2-NE1 3.54Å; Y173-W192 AromaticContact CE2-NE1 3.37Å
174S54.2Low62.7Low89 Ų8967.5 Ų67.562%0.62239%0.389SS*.Hα-helixtrans-63-31178.955.10000113.4E172 R176 S177E172-S174 VanDerWaalsContact C-N 3.27Å; E172-S174 PolarHBondContact O-N 3.17Å; E172-S174 VanDerWaalsContact O-N 3.16Å; S174-R176 VanDerWaalsContact C-N 3.31Å; S174-S177 PolarHBondContact O-OG 3.5Å; S174-S177 VanDerWaalsContact O-OG 3.1Å
175A54.3Low59.9Low43 Ų4370.5 Ų70.536%0.35543%0.425SS..Hα-helixtrans-80.3-13.9174.900000112.9N89 F171 E172 Y173N89-A175 PolarHBondContact ND2-O 2.98Å; N89-A175 VanDerWaalsContact ND2-O 3.09Å; F171-A175 HydrophobicContact CB-CB 4.41Å; E172-A175 PolarHBondContact O-N 3.29Å; Y173-A175 VanDerWaalsContact C-N 3.28Å; Y173-A175 PolarHBondContact O-N 2.89Å
176R55Low57.1Low20 Ų2072.2 Ų72.28%0.07544%0.443CS..Hα-helixtrans-91.2-21.1179.3-55.5176.2-154165.86.3113.2P168 F171 E172 Y173 S174 G178 W192P168-R176 VanDerWaalsContact CA-NH2 3.3Å; P168-R176 PolarHBondContact O-NH2 3.42Å; F171-R176 HydrophobicContact CB-CG 4.15Å; F171-R176 PolarHBondContact O-NE 2.72Å; F171-R176 PolarHBondContact O-NH2 3.09Å; E172-R176 WeakPolarHBondContact O-CG 3.21Å; E172-R176 PolarHBondContact O-N 2.79Å; Y173-R176 WeakPolarHBondContact O-CB 3.21Å; Y173-R176 PolarHBondContact O-N 3.03Å; S174-R176 VanDerWaalsContact C-N 3.31Å; R176-G178 VanDerWaalsContact C-N 3.35Å; R176-G178 PolarHBondContact O-N 3.14Å; R176-W192 HydrophobicContact CB-CH2 3.84Å; R176-W192 HydrophobicContact CB-CZ2 3.52Å; R176-W192 HydrophobicContact CG-CZ2 4.37Å
177S46.8Very low54.4Low76 Ų7680.5 Ų80.553%0.53148%0.481SS..  trans-7878-173.657.40000112.9Y173 S174Y173-S177 PolarHBondContact O-N 3.23Å; S174-S177 PolarHBondContact O-OG 3.5Å; S174-S177 VanDerWaalsContact O-OG 3.1Å
178G37.8Very low51.8Low37 Ų3781 Ų8138%0.38149%0.488SS..SBendtrans-97.187.7154.600000109.2R176R176-G178 VanDerWaalsContact C-N 3.35Å; R176-G178 PolarHBondContact O-N 3.14Å
179Q35.9Very low49.5Very low174 Ų17487.4 Ų87.481%0.81352%0.515SS*.SBendtrans4486.3171.5-71-177.1-16.900117.7
180C30.8Very low47.3Very low90 Ų9090.6 Ų90.661%0.60852%0.523SS*.  -135.5109.1123.4-83.70000105.8V182C180-V182 PolarHBondContact O-N 3.03Å
181N32.8Very low45Very low143 Ų14393.6 Ų93.677%0.76554%0.535SS*.  trans-64.3102.2176.9-72.3-22.7000108.6
182V37.5Very low42.8Very low58 Ų5896.3 Ų96.335%0.35255%0.545SS..  trans-107.793.6157.6-1620000105.6C180C180-V182 PolarHBondContact O-N 3.03Å
183E30.5Very low41.6Very low171 Ų17193.1 Ų93.180%0.79953%0.533SS*.  trans-54.5148.9167.3-74.9-175.2164.300109.7G185E183-G185 PolarHBondContact O-N 2.86Å
184A31.2Very low41Very low110 Ų11089.1 Ų89.191%0.90952%0.518SS*.THydrogen-bonded Turntrans-63.911.1-173.400000115.8
185G32Very low41Very low82 Ų8285.1 Ų85.185%0.84549%0.49SS*.THydrogen-bonded Turntrans-114.6-5.2-171.800000117.1E183E183-G185 PolarHBondContact O-N 2.86Å
186G33Very low41.7Very low37 Ų3786.4 Ų86.438%0.38149%0.489SS..SBendtrans-131.4104.4179.300000111.4G188G186-G188 PolarHBondContact O-N 3.39Å
187H39.3Very low43.5Very low173 Ų17385.7 Ų85.780%0.80149%0.487SS*.SBendtrans5047171.1-55-68.4000116.1
188G37.7Very low46Very low20 Ų2082.1 Ų82.121%0.20646%0.462CS..  trans56.993.4135.700000120.1G186 Y190G186-G188 PolarHBondContact O-N 3.39Å; G188-Y190 PolarHBondContact O-N 3.06Å
189K40.1Very low48.9Very low151 Ų15180.3 Ų80.366%0.65744%0.444SS*.SBendtrans54.7-15138.5-83.8-176.2172-176.10121.4
190Y44.2Very low51.9Low87 Ų8772 Ų7234%0.34141%0.405SS..  trans-139.838.1-177.8-68.4-84.2000112.9G188 W192 E278 Y387G188-Y190 PolarHBondContact O-N 3.06Å; Y190-W192 PolarHBondContact O-N 3.35Å; Y190-W192 VanDerWaalsContact O-N 3.09Å; Y190-E278 PolarHBondContact OH-OE1 3.09Å; Y190-Y387 HydrophobicContact CD2-CE2 4.48Å
191Q43.5Very low55.1Low127 Ų12767.8 Ų67.859%0.59338%0.376SS*.  trans-79.151.4159.7-80.3-177.6-28.500110.5D193Q191-D193 PolarHBondContact O-N 2.93Å
192W42.3Very low58.2Low89 Ų8961.5 Ų61.534%0.33734%0.342SS..  trans-78.3120.9159.2-81.796.7000107Y173 R176 Y190 M194Y173-W192 AromaticContact CD2-NE1 3.54Å; Y173-W192 AromaticContact CE2-NE1 3.37Å; R176-W192 HydrophobicContact CB-CH2 3.84Å; R176-W192 HydrophobicContact CB-CZ2 3.52Å; R176-W192 HydrophobicContact CG-CZ2 4.37Å; Y190-W192 PolarHBondContact O-N 3.35Å; Y190-W192 VanDerWaalsContact O-N 3.09Å; W192-M194 HydrophobicContact CB-CG 4.38Å; W192-M194 PolarHBondContact O-N 3.45Å
193D51.2Low61.2Low76 Ų7659 Ų5941%0.40633%0.327SS..  trans-61.857178.7-161.212.8000111.2Q191 G195Q191-D193 PolarHBondContact O-N 2.93Å; D193-G195 PolarHBondContact O-N 3.05Å
194M50.8Low64.4Low18 Ų1851.7 Ų51.79%0.08929%0.293CS..  trans-66.412.9-174.7-80.2-93.5-174.800113.8L164 P168 W192L164-M194 HydrophobicContact CB-SD 3.78Å; L164-M194 WeakPolarHBondContact CD1-O 3.27Å; L164-M194 WeakPolarHBondContact O-CE 3.47Å; P168-M194 HydrophobicContact CG-CE 3.88Å; W192-M194 HydrophobicContact CB-CG 4.38Å; W192-M194 PolarHBondContact O-N 3.45Å
195G53.5Low67.6Low5 Ų552.4 Ų52.45%0.05229%0.288CS..  trans64.6136.2-163.700000110.5D193 W217D193-G195 PolarHBondContact O-N 3.05Å; G195-W217 CarbonylContact C-O 3.57Å; G195-W217 WeakPolarHBondContact CA-O 3.33Å
196H70.5Confident70.7Confident70 Ų7050 Ų5032%0.32426%0.264SS..EExtended strand (participates in β ladder)trans-118.7148.4169.2-69.9-47.1000106.6W217 N371H196-W217 HydrophobicContact CB-CB 4.11Å; H196-W217 HydrophobicContact CB-CD2 3.81Å; H196-W217 HydrophobicContact CB-CE3 3.3Å; H196-W217 HydrophobicContact CB-CG 4.2Å; H196-W217 HydrophobicContact CB-CZ3 3.92Å; H196-W217 PolarHBondContact N-O 3.33Å; H196-W217 CarbonylContact O-C 3.39Å; H196-W217 VanDerWaalsContact O-C 3.3Å; H196-W217 WeakPolarHBondContact O-CA 3.34Å; H196-W217 WeakPolarHBondContact O-CB 3.47Å; H196-W217 PolarHBondContact O-N 3.24Å; H196-N371 WeakPolarHBondContact CA-ND2 3.27Å; H196-N371 VanDerWaalsContact CA-OD1 3.26Å; H196-N371 WeakPolarHBondContact CA-OD1 3.21Å; H196-N371 WeakPolarHBondContact CB-OD1 3.37Å
197C92.4Very high73.8Confident6 Ų651.1 Ų51.14%0.04126%0.257CS..EExtended strand (participates in β ladder)trans-140.8150.7179-70.30000107.9H214 S215 T271 N371 R402C197-H214 VanDerWaalsContact CB-NE2 3.27Å; C197-H214 WeakPolarHBondContact CB-NE2 3.38Å; C197-H214 VanDerWaalsContact SG-CE1 3.57Å; C197-H214 PolarHBondContact SG-NE2 2.93Å; C197-S215 WeakPolarHBondContact CA-O 3.4Å; C197-T271 HydrophobicContact CB-CG2 3.6Å; C197-T271 WeakPolarHBondContact O-CG2 3.37Å; C197-N371 VanDerWaalsContact N-CG 3.3Å; C197-N371 PolarHBondContact N-ND2 3.23Å; C197-N371 PolarHBondContact N-OD1 2.79Å; C197-N371 PolarHBondContact O-OD1 3.49Å; C197-R402 PolarHBondContact O-NH1 2.95Å
198S98Very high76.6Confident0 Ų047 Ų470%024%0.238CC..EExtended strand (participates in β ladder)trans-120.7128.5172.7-61.40000107.7S215 S369 R402 M423 I442S198-S215 PolarHBondContact N-O 2.86Å; S198-S215 PolarHBondContact O-N 3.12Å; S198-S369 WeakPolarHBondContact CA-O 3.35Å; S198-R402 VanDerWaalsContact OG-CD 3.27Å; S198-R402 WeakPolarHBondContact OG-CD 3.47Å; S198-R402 PolarHBondContact OG-NH1 2.95Å; S198-M423 WeakPolarHBondContact O-CE 3.2Å; S198-I442 WeakPolarHBondContact CB-O 3.37Å; S198-I442 PolarHBondContact OG-O 2.78Å
199A98.6Very high79.5Confident0 Ų046.9 Ų46.90%023%0.233CC..EExtended strand (participates in β ladder)trans-127.5151.6172.900000110.9A213 L269 T271 M325 S369A199-A213 VanDerWaalsContact CA-O 3.3Å; A199-A213 WeakPolarHBondContact CA-O 3.12Å; A199-L269 HydrophobicContact CB-CD1 4.4Å; A199-T271 HydrophobicContact CB-CG2 3.99Å; A199-M325 HydrophobicContact CB-CE 3.74Å; A199-M325 HydrophobicContact CB-SD 3.86Å; A199-S369 PolarHBondContact N-O 3.35Å; A199-S369 PolarHBondContact O-N 2.8Å
200L98.9Very high82.3Confident0 Ų039.7 Ų39.70%020%0.202CC..EExtended strand (participates in β ladder)trans-143.6128.5175.3-17965.5000109.2K202 F212 A213 Y366 W367 F406 V413 M419 I422 M423L200-K202 HydrophobicContact CG-CB 4.46Å; L200-F212 WeakPolarHBondContact O-CA 3.41Å; L200-A213 PolarHBondContact N-O 3.49Å; L200-A213 PolarHBondContact O-N 3.01Å; L200-Y366 HydrophobicContact CD1-CD2 3.8Å; L200-Y366 HydrophobicContact CD1-CG 4.39Å; L200-W367 WeakPolarHBondContact CA-O 3.42Å; L200-F406 HydrophobicContact CB-CE1 3.97Å; L200-F406 HydrophobicContact CB-CZ 4.45Å; L200-F406 HydrophobicContact CD1-CD1 4.16Å; L200-F406 HydrophobicContact CD1-CE1 4.38Å; L200-F406 HydrophobicContact CD2-CD1 4.22Å; L200-F406 HydrophobicContact CD2-CE1 4.1Å; L200-F406 HydrophobicContact CG-CE1 4.38Å; L200-V413 HydrophobicContact CD2-CG2 4.38Å; L200-M419 HydrophobicContact CB-CE 3.73Å; L200-M419 HydrophobicContact CD2-CE 3.92Å; L200-M419 HydrophobicContact CD2-SD 3.91Å; L200-M419 HydrophobicContact CG-CE 3.83Å; L200-M419 HydrophobicContact CG-SD 4.43Å; L200-M419 WeakPolarHBondContact O-CE 3.49Å; L200-I422 HydrophobicContact CD2-CD1 4.22Å; L200-I422 HydrophobicContact CD2-CG2 4Å; L200-M423 HydrophobicContact CB-SD 3.65Å; L200-M423 HydrophobicContact CD2-SD 4.45Å
201I98.9Very high84.9Confident0 Ų036.4 Ų36.40%019%0.188CC..EExtended strand (participates in β ladder)trans-108122.7163.7-54.2175.6000106.3I210 Y211 F212 L269 M325 L327 L343 L362 Y366 W367I201-I210 HydrophobicContact CG2-CD1 3.8Å; I201-I210 HydrophobicContact CG2-CG1 3.99Å; I201-Y211 CarbonylContact C-O 3.59Å; I201-Y211 WeakPolarHBondContact CA-O 3.28Å; I201-F212 HydrophobicContact CG1-CB 4.23Å; I201-L269 HydrophobicContact CG1-CD1 4.24Å; I201-M325 HydrophobicContact CD1-CB 4.04Å; I201-L327 HydrophobicContact CD1-CB 4.29Å; I201-L327 HydrophobicContact CG2-CD1 4.39Å; I201-L327 HydrophobicContact CG2-CD2 4.19Å; I201-L343 HydrophobicContact CD1-CD1 3.63Å; I201-L343 HydrophobicContact CD1-CD2 4.34Å; I201-L362 HydrophobicContact CB-CD1 4.18Å; I201-L362 HydrophobicContact CG2-CD1 3.73Å; I201-L362 HydrophobicContact CG2-CD2 4.36Å; I201-Y366 CarbonylContact O-C 3.54Å; I201-Y366 WeakPolarHBondContact O-CA 3.5Å; I201-Y366 WeakPolarHBondContact O-CB 3.37Å; I201-W367 HydrophobicContact CB-CB 4.3Å; I201-W367 PolarHBondContact N-O 3.46Å; I201-W367 PolarHBondContact O-N 3.2Å
202K98.8Very high87.5Confident12 Ų1230.3 Ų30.35%0.05216%0.16CC..EExtended strand (participates in β ladder)trans-123.9127.2-174.8176.177.6-170.4109.70110.4L200 I210 Y211 G365 Q410 V413 M419L200-K202 HydrophobicContact CG-CB 4.46Å; K202-I210 CarbonylContact O-C 3.15Å; K202-I210 WeakPolarHBondContact O-CA 3.22Å; K202-Y211 PolarHBondContact N-O 3.48Å; K202-Y211 PolarHBondContact O-N 2.99Å; K202-G365 WeakPolarHBondContact CD-O 3.49Å; K202-G365 PolarHBondContact NZ-O 3.16Å; K202-Q410 WeakPolarHBondContact CD-O 3.41Å; K202-Q410 VanDerWaalsContact CD-OE1 3.31Å; K202-Q410 VanDerWaalsContact CE-O 3.23Å; K202-Q410 WeakPolarHBondContact CE-O 3.43Å; K202-V413 HydrophobicContact CB-CG1 4.31Å; K202-V413 HydrophobicContact CD-CB 4.12Å; K202-V413 HydrophobicContact CG-CB 3.88Å; K202-V413 HydrophobicContact CG-CG1 3.79Å; K202-M419 HydrophobicContact CB-SD 4.33Å
203V98.8Very high90.2Very high4 Ų426.1 Ų26.12%0.02414%0.144CC..EExtended strand (participates in β ladder)trans-102.8131.6173.9-171.90000108.8Y207 I210 L338 L362 G365V203-Y207 HydrophobicContact CG1-CD1 3.39Å; V203-Y207 HydrophobicContact CG1-CE1 3.77Å; V203-I210 HydrophobicContact CG2-CD1 4.06Å; V203-I210 HydrophobicContact CG2-CG1 4.24Å; V203-L338 HydrophobicContact CG1-CD1 4.25Å; V203-L338 HydrophobicContact CG2-CD1 3.8Å; V203-L362 HydrophobicContact CG2-CD1 3.59Å; V203-L362 HydrophobicContact CG2-CD2 4.38Å; V203-L362 HydrophobicContact CG2-CG 3.69Å; V203-G365 PolarHBondContact N-O 3.29Å
204L98.6Very high92.5Very high18 Ų1822.5 Ų22.59%0.09413%0.125CC..  trans-72.8153.6174.6-65.8-170.6000111.8G206 Y207 E208 N209 Y211 V413L204-G206 VanDerWaalsContact C-N 3.3Å; L204-G206 PolarHBondContact O-N 2.91Å; L204-Y207 PolarHBondContact O-N 3.35Å; L204-E208 HydrophobicContact CB-CB 4.39Å; L204-E208 WeakPolarHBondContact CB-OE2 3.4Å; L204-E208 HydrophobicContact CD1-CB 4.2Å; L204-N209 HydrophobicContact CD1-CB 3.81Å; L204-N209 HydrophobicContact CG-CB 4.21Å; L204-N209 PolarHBondContact N-O 2.82Å; L204-Y211 HydrophobicContact CD1-CE2 3.92Å; L204-Y211 HydrophobicContact CD2-CD2 4.3Å; L204-Y211 HydrophobicContact CD2-CE2 3.93Å; L204-Y211 HydrophobicContact CG-CD2 4.41Å; L204-Y211 HydrophobicContact CG-CE2 3.9Å; L204-V413 WeakPolarHBondContact CD2-O 3.39Å
205P97.5Very high94.8Very high125 Ų12521.6 Ų21.681%0.81212%0.121SC*.THydrogen-bonded Turntrans-56.2-36.2-167.1-27.636.2000115.5
206G97.4Very high96.8Very high32 Ų3221.5 Ų21.533%0.3312%0.119SC..THydrogen-bonded Turntrans-100.120.9176.900000113.5L204 E208 Q335L204-G206 VanDerWaalsContact C-N 3.3Å; L204-G206 PolarHBondContact O-N 2.91Å; G206-E208 VanDerWaalsContact C-OE2 3.27Å; G206-E208 VanDerWaalsContact CA-CD 3.43Å; G206-E208 WeakPolarHBondContact CA-OE1 3.43Å; G206-E208 VanDerWaalsContact CA-OE2 3.27Å; G206-E208 WeakPolarHBondContact CA-OE2 3.41Å; G206-E208 VanDerWaalsContact N-CD 3.3Å; G206-E208 PolarHBondContact N-OE1 2.71Å; G206-E208 PolarHBondContact N-OE2 3.46Å; G206-E208 PolarHBondContact O-N 2.79Å; G206-Q335 WeakPolarHBondContact O-CA 3.48Å
207Y98.3Very high97.9Very high60 Ų6018.6 Ų18.624%0.23511%0.105CC..SBendtrans57.825.3-172.8-55.1-63000113.9V203 L204 N209 L334 Q335 L338V203-Y207 HydrophobicContact CG1-CD1 3.39Å; V203-Y207 HydrophobicContact CG1-CE1 3.77Å; L204-Y207 PolarHBondContact O-N 3.35Å; Y207-N209 PolarHBondContact O-N 2.98Å; Y207-L334 CarbonylContact O-C 3.59Å; Y207-L334 VanDerWaalsContact O-CA 3.28Å; Y207-L334 WeakPolarHBondContact O-CA 3.3Å; Y207-Q335 PolarHBondContact O-N 3.14Å; Y207-L338 HydrophobicContact CD1-CG 4.13Å; Y207-L338 HydrophobicContact CE1-CD1 4.2Å; Y207-L338 HydrophobicContact CE1-CG 3.95Å
208E98.4Very high98Very high88 Ų8819 Ų1941%0.41111%0.106SC..SBendtrans-65-31.4-176-54.889.2158.400111.8L204 G206L204-E208 HydrophobicContact CB-CB 4.39Å; L204-E208 WeakPolarHBondContact CB-OE2 3.4Å; L204-E208 HydrophobicContact CD1-CB 4.2Å; G206-E208 VanDerWaalsContact C-OE2 3.27Å; G206-E208 VanDerWaalsContact CA-CD 3.43Å; G206-E208 WeakPolarHBondContact CA-OE1 3.43Å; G206-E208 VanDerWaalsContact CA-OE2 3.27Å; G206-E208 WeakPolarHBondContact CA-OE2 3.41Å; G206-E208 VanDerWaalsContact N-CD 3.3Å; G206-E208 PolarHBondContact N-OE1 2.71Å; G206-E208 PolarHBondContact N-OE2 3.46Å; G206-E208 PolarHBondContact O-N 2.79Å
209N98.6Very high97.8Very high16 Ų1619.2 Ų19.29%0.08611%0.107CC..  trans-155.5162.7174.8-151.6-7.6000110.8L204 Y207 Y211 D465L204-N209 HydrophobicContact CD1-CB 3.81Å; L204-N209 HydrophobicContact CG-CB 4.21Å; L204-N209 PolarHBondContact N-O 2.82Å; Y207-N209 PolarHBondContact O-N 2.98Å; N209-Y211 HydrophobicContact CB-CE2 4.09Å; N209-Y211 VanDerWaalsContact ND2-CZ 3.31Å; N209-Y211 PolarHBondContact ND2-OH 2.65Å; N209-Y211 VanDerWaalsContact ND2-OH 3.09Å; N209-D465 PolarHBondContact ND2-OD2 3.24Å
210I98.8Very high97.6Very high1 Ų119.2 Ų19.21%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-125.1125165.7-175.1167.2000108.2I201 K202 V203 L327 L329 V332 L362 D465 F466I201-I210 HydrophobicContact CG2-CD1 3.8Å; I201-I210 HydrophobicContact CG2-CG1 3.99Å; K202-I210 CarbonylContact O-C 3.15Å; K202-I210 WeakPolarHBondContact O-CA 3.22Å; V203-I210 HydrophobicContact CG2-CD1 4.06Å; V203-I210 HydrophobicContact CG2-CG1 4.24Å; I210-L327 HydrophobicContact CD1-CD1 3.65Å; I210-L327 HydrophobicContact CD1-CD2 3.9Å; I210-L327 HydrophobicContact CD1-CG 4.43Å; I210-L327 HydrophobicContact CG1-CD2 4.44Å; I210-L329 HydrophobicContact CG2-CD2 4.35Å; I210-V332 HydrophobicContact CD1-CG2 4.37Å; I210-V332 HydrophobicContact CG2-CG1 3.88Å; I210-V332 HydrophobicContact CG2-CG2 4.4Å; I210-L362 HydrophobicContact CD1-CD2 4.08Å; I210-D465 VanDerWaalsContact O-CA 3.24Å; I210-D465 WeakPolarHBondContact O-CA 3.39Å; I210-D465 WeakPolarHBondContact O-CB 3.3Å; I210-F466 HydrophobicContact CG2-CB 3.94Å; I210-F466 HydrophobicContact CG2-CD2 4.2Å; I210-F466 PolarHBondContact O-N 3.1Å; I210-F466 VanDerWaalsContact O-N 3.17Å
211Y98.9Very high97.5Very high17 Ų1719.2 Ų19.27%0.06711%0.107CC..EExtended strand (participates in β ladder)trans-102.6147174.5-62.9-74.9000109.5I201 K202 L204 N209 V413 N415 L416 M419 D465I201-Y211 CarbonylContact C-O 3.59Å; I201-Y211 WeakPolarHBondContact CA-O 3.28Å; K202-Y211 PolarHBondContact N-O 3.48Å; K202-Y211 PolarHBondContact O-N 2.99Å; L204-Y211 HydrophobicContact CD1-CE2 3.92Å; L204-Y211 HydrophobicContact CD2-CD2 4.3Å; L204-Y211 HydrophobicContact CD2-CE2 3.93Å; L204-Y211 HydrophobicContact CG-CD2 4.41Å; L204-Y211 HydrophobicContact CG-CE2 3.9Å; N209-Y211 HydrophobicContact CB-CE2 4.09Å; N209-Y211 VanDerWaalsContact ND2-CZ 3.31Å; N209-Y211 PolarHBondContact ND2-OH 2.65Å; N209-Y211 VanDerWaalsContact ND2-OH 3.09Å; Y211-V413 HydrophobicContact CD2-CG1 4.36Å; Y211-N415 WeakPolarHBondContact OH-CA 3.47Å; Y211-L416 HydrophobicContact CD1-CD1 4Å; Y211-L416 HydrophobicContact CE1-CB 4.04Å; Y211-L416 HydrophobicContact CE1-CD1 4.04Å; Y211-M419 HydrophobicContact CG-CB 4.49Å; Y211-D465 HydrophobicContact CD1-CB 3.51Å; Y211-D465 HydrophobicContact CE1-CB 3.59Å; Y211-D465 HydrophobicContact CG-CB 4.46Å
212F98.8Very high97.4Very high0 Ų019.2 Ų19.20%011%0.108CC..EExtended strand (participates in β ladder)trans-142.7139.9172.956-94.2000109.3L200 I201 F259 I267 L269 L327 S464 A469L200-F212 WeakPolarHBondContact O-CA 3.41Å; I201-F212 HydrophobicContact CG1-CB 4.23Å; F212-F259 AromaticContact CD2-CE2 3.86Å; F212-F259 HydrophobicContact CD2-CE2 3.86Å; F212-F259 HydrophobicContact CD2-CZ 4.1Å; F212-F259 AromaticContact CE2-CE2 3.97Å; F212-F259 HydrophobicContact CE2-CE2 3.97Å; F212-F259 AromaticContact CE2-CZ 3.73Å; F212-F259 HydrophobicContact CE2-CZ 3.73Å; F212-I267 HydrophobicContact CD1-CG1 4.39Å; F212-I267 HydrophobicContact CD2-CG2 3.51Å; F212-I267 HydrophobicContact CE1-CD1 4.21Å; F212-I267 HydrophobicContact CE1-CG1 3.89Å; F212-I267 HydrophobicContact CE2-CB 4.41Å; F212-I267 HydrophobicContact CE2-CD1 4.03Å; F212-I267 HydrophobicContact CE2-CG1 4.07Å; F212-I267 HydrophobicContact CE2-CG2 3.48Å; F212-I267 VanDerWaalsContact CE2-CG2 3.48Å; F212-I267 HydrophobicContact CG-CG2 4.03Å; F212-I267 HydrophobicContact CZ-CB 4.49Å; F212-I267 HydrophobicContact CZ-CD1 3.59Å; F212-I267 HydrophobicContact CZ-CG1 3.69Å; F212-I267 HydrophobicContact CZ-CG2 4.03Å; F212-L269 HydrophobicContact CB-CD1 4.19Å; F212-L327 HydrophobicContact CB-CD2 4.47Å; F212-L327 HydrophobicContact CD1-CD2 4Å; F212-L327 HydrophobicContact CG-CD2 4.46Å; F212-S464 PolarHBondContact N-O 3.49Å; F212-S464 PolarHBondContact O-N 3.04Å; F212-A469 HydrophobicContact CE1-CB 4.08Å; F212-A469 HydrophobicContact CZ-CB 3.78Å
213A98.8Very high97.3Very high0 Ų018.7 Ų18.70%011%0.105CC..EExtended strand (participates in β ladder)trans-152.5157-17600000112.7A199 L200 M419 M423 K462 V463A199-A213 VanDerWaalsContact CA-O 3.3Å; A199-A213 WeakPolarHBondContact CA-O 3.12Å; L200-A213 PolarHBondContact N-O 3.49Å; L200-A213 PolarHBondContact O-N 3.01Å; A213-M419 HydrophobicContact CB-CE 3.4Å; A213-M419 VanDerWaalsContact CB-CE 3.4Å; A213-M419 HydrophobicContact CB-CG 4.22Å; A213-M423 HydrophobicContact CB-CE 4.24Å; A213-M423 HydrophobicContact CB-CG 3.54Å; A213-M423 HydrophobicContact CB-SD 4.13Å; A213-K462 CarbonylContact C-O 3.5Å; A213-K462 WeakPolarHBondContact CA-O 2.96Å; A213-K462 WeakPolarHBondContact CB-O 3.15Å; A213-V463 HydrophobicContact CB-CB 4.25Å; A213-V463 HydrophobicContact CB-CG1 4.19Å; A213-V463 HydrophobicContact CB-CG2 3.85Å
214H98.8Very high97.3Very high0 Ų018.5 Ų18.50%010%0.104CC..EExtended strand (participates in β ladder)trans-141.7135.4178.5179.9-79.2000110.4C197 S216 D257 F259 L269 Q270 S461 K462C197-H214 VanDerWaalsContact CB-NE2 3.27Å; C197-H214 WeakPolarHBondContact CB-NE2 3.38Å; C197-H214 VanDerWaalsContact SG-CE1 3.57Å; C197-H214 PolarHBondContact SG-NE2 2.93Å; H214-S216 PolarHBondContact CE1-N 3.13Å; H214-S216 PolarHBondContact CE1-OG 2.87Å; H214-S216 VanDerWaalsContact CE1-OG 3.25Å; H214-S216 PolarHBondContact ND1-N 2.88Å; H214-S216 PolarHBondContact ND1-OG 3.33Å; H214-D257 PolarHBondContact CE1-O 3.02Å; H214-D257 PolarHBondContact NE2-O 3.21Å; H214-F259 HydrophobicContact CB-CB 4.4Å; H214-F259 HydrophobicContact CB-CD2 4Å; H214-L269 HydrophobicContact CB-CD2 4.28Å; H214-Q270 PolarHBondContact CD2-O 3.45Å; H214-Q270 PolarHBondContact NE2-O 3.37Å; H214-S461 CarbonylContact O-C 3.5Å; H214-S461 WeakPolarHBondContact O-CA 3.39Å; H214-K462 PolarHBondContact N-O 3.34Å; H214-K462 PolarHBondContact ND1-NZ 2.99Å; H214-K462 PolarHBondContact O-N 3.18Å
215S98.5Very high97.2Very high0 Ų017.7 Ų17.70%010%0.1CC..EExtended strand (participates in β ladder)trans-120.5110.5172.6-63.70000109.8C197 S198 M423 D460 S461C197-S215 WeakPolarHBondContact CA-O 3.4Å; S198-S215 PolarHBondContact N-O 2.86Å; S198-S215 PolarHBondContact O-N 3.12Å; S215-M423 PolarHBondContact OG-O 3.22Å; S215-D460 VanDerWaalsContact CA-O 3.29Å; S215-D460 WeakPolarHBondContact CA-O 3.44Å; S215-D460 VanDerWaalsContact CB-O 3.28Å; S215-D460 WeakPolarHBondContact CB-O 3.24Å; S215-D460 PolarHBondContact OG-O 3.47Å; S215-S461 PolarHBondContact OG-OG 2.95Å
216S96.9Very high97.3Very high2 Ų211.7 Ų11.71%0.0146%0.061CC..EExtended strand (participates in β ladder)trans-74.3134.6179-580000110.9H214 D257 C458 Y459 D460 K462H214-S216 PolarHBondContact CE1-N 3.13Å; H214-S216 PolarHBondContact CE1-OG 2.87Å; H214-S216 VanDerWaalsContact CE1-OG 3.25Å; H214-S216 PolarHBondContact ND1-N 2.88Å; H214-S216 PolarHBondContact ND1-OG 3.33Å; S216-D257 WeakPolarHBondContact OG-CB 3.14Å; S216-D257 PolarHBondContact OG-OD1 3.27Å; S216-C458 CarbonylContact O-C 3.3Å; S216-C458 VanDerWaalsContact O-CA 3.3Å; S216-C458 WeakPolarHBondContact O-CA 3.12Å; S216-Y459 PolarHBondContact O-N 3.19Å; S216-D460 WeakPolarHBondContact CB-OD1 3.5Å; S216-D460 PolarHBondContact N-OD1 3.14Å; S216-D460 PolarHBondContact OG-OD1 2.81Å; S216-D460 PolarHBondContact OG-OD2 3.46Å; S216-K462 PolarHBondContact OG-NZ 2.98Å
217W94.1Very high97.4Very high10 Ų1010.2 Ų10.24%0.0385%0.045CC..EExtended strand (participates in β ladder)trans-120.7127.3165.7-38.1-2.1000110.4G195 H196 C439 T441 I442 C444 G457 C458G195-W217 CarbonylContact C-O 3.57Å; G195-W217 WeakPolarHBondContact CA-O 3.33Å; H196-W217 HydrophobicContact CB-CB 4.11Å; H196-W217 HydrophobicContact CB-CD2 3.81Å; H196-W217 HydrophobicContact CB-CE3 3.3Å; H196-W217 HydrophobicContact CB-CG 4.2Å; H196-W217 HydrophobicContact CB-CZ3 3.92Å; H196-W217 PolarHBondContact N-O 3.33Å; H196-W217 CarbonylContact O-C 3.39Å; H196-W217 VanDerWaalsContact O-C 3.3Å; H196-W217 WeakPolarHBondContact O-CA 3.34Å; H196-W217 WeakPolarHBondContact O-CB 3.47Å; H196-W217 PolarHBondContact O-N 3.24Å; W217-C439 VanDerWaalsContact CH2-O 3.31Å; W217-C439 WeakPolarHBondContact CH2-O 3.41Å; W217-T441 WeakPolarHBondContact CH2-O 3.44Å; W217-T441 WeakPolarHBondContact CZ2-O 3.31Å; W217-I442 VanDerWaalsContact CZ2-C 3.46Å; W217-I442 WeakPolarHBondContact CZ2-O 3.14Å; W217-I442 PolarHBondContact NE1-O 2.79Å; W217-C444 HydrophobicContact CD2-CB 3.6Å; W217-C444 HydrophobicContact CE3-CB 3.21Å; W217-C444 HydrophobicContact CG-CB 4.49Å; W217-C444 HydrophobicContact CH2-CB 3.43Å; W217-C444 VanDerWaalsContact CH2-CB 3.43Å; W217-C444 HydrophobicContact CZ2-CB 3.73Å; W217-C444 HydrophobicContact CZ3-CB 3.17Å; W217-G457 CarbonylContact C-O 3.56Å; W217-G457 WeakPolarHBondContact CA-O 3.41Å; W217-G457 WeakPolarHBondContact CB-O 3.38Å; W217-C458 VanDerWaalsContact CD1-CA 3.42Å; W217-C458 HydrophobicContact CD2-CB 4.38Å; W217-C458 HydrophobicContact CG-CB 3.88Å
218F93.1Very high97.4Very high14 Ų147.3 Ų7.36%0.0613%0.034CC..EExtended strand (participates in β ladder)trans-164.7-167.7173.2-176.2-140.6000107.5M82 V160 L164 Y220 A222 A456 G457 Y459M82-F218 HydrophobicContact CE-CD1 4.33Å; M82-F218 HydrophobicContact CE-CE1 3.37Å; M82-F218 HydrophobicContact CE-CZ 3.86Å; V160-F218 HydrophobicContact CG1-CE1 4.09Å; V160-F218 HydrophobicContact CG1-CZ 4.37Å; L164-F218 HydrophobicContact CD2-CE2 3.96Å; L164-F218 HydrophobicContact CD2-CZ 4.15Å; F218-Y220 PolarHBondContact O-N 2.95Å; F218-A222 HydrophobicContact CD1-CB 3.84Å; F218-A222 HydrophobicContact CE1-CB 4.4Å; F218-A456 WeakPolarHBondContact O-CA 3.44Å; F218-G457 PolarHBondContact N-O 3.39Å; F218-G457 VanDerWaalsContact N-O 3.09Å; F218-G457 PolarHBondContact O-N 3.41Å; F218-G457 VanDerWaalsContact O-N 3.07Å; F218-G457 VanDerWaalsContact O-O 3.11Å; F218-Y459 HydrophobicContact CB-CE1 3.62Å
219T93.6Very high97.4Very high4 Ų43.4 Ų3.43%0.0252%0.016CC..EExtended strand (participates in β ladder)trans-58.5137.4172.8179.70000111.3M82 Q85 A221 A222M82-T219 HydrophobicContact CE-CG2 4.08Å; M82-T219 HydrophobicContact SD-CG2 4.22Å; Q85-T219 HydrophobicContact CB-CG2 4.4Å; Q85-T219 HydrophobicContact CG-CG2 3.99Å; T219-A221 HydrophobicContact CG2-CB 4.22Å; T219-A221 PolarHBondContact O-N 3.33Å; T219-A221 PolarHBondContact OG1-N 3.37Å; T219-A222 HydrophobicContact CG2-CB 4.29Å; T219-A222 VanDerWaalsContact O-CB 3.27Å; T219-A222 WeakPolarHBondContact O-CB 3.4Å; T219-A222 PolarHBondContact O-N 3.08Å
220Y96Very high97.4Very high0 Ų02.9 Ų2.90%01%0.013CC..G310 helixtrans-66.2-16177.1-64.7-16.1000112.4F218 A222 T223 D447 P455 A456 G457 Y459 P480 F489F218-Y220 PolarHBondContact O-N 2.95Å; Y220-A222 PolarHBondContact O-N 2.94Å; Y220-A222 VanDerWaalsContact O-N 3.17Å; Y220-T223 WeakPolarHBondContact O-CB 3.41Å; Y220-T223 VanDerWaalsContact O-CG2 3.28Å; Y220-T223 WeakPolarHBondContact O-CG2 3.42Å; Y220-T223 PolarHBondContact O-N 3.08Å; Y220-T223 PolarHBondContact O-OG1 3.47Å; Y220-D447 HydrophobicContact CE2-CB 3.99Å; Y220-D447 PolarHBondContact OH-OD1 3.32Å; Y220-P455 VanDerWaalsContact CB-O 3.31Å; Y220-P455 WeakPolarHBondContact CB-O 3.47Å; Y220-P455 VanDerWaalsContact CD2-C 3.43Å; Y220-P455 HydrophobicContact CD2-CB 4Å; Y220-P455 HydrophobicContact CG-CB 4.49Å; Y220-P455 PolarHBondContact N-O 3.36Å; Y220-A456 VanDerWaalsContact CE1-C 3.42Å; Y220-A456 PolarHBondContact OH-O 3.49Å; Y220-G457 WeakPolarHBondContact CE1-O 3.35Å; Y220-Y459 HydrophobicContact CD1-CD1 4.13Å; Y220-P480 HydrophobicContact CD1-CG 4.24Å; Y220-P480 HydrophobicContact CD2-CG 4.03Å; Y220-P480 HydrophobicContact CE1-CB 4.39Å; Y220-P480 HydrophobicContact CE1-CG 3.67Å; Y220-P480 HydrophobicContact CE2-CB 4.28Å; Y220-P480 HydrophobicContact CE2-CG 3.43Å; Y220-P480 VanDerWaalsContact CE2-CG 3.43Å; Y220-P480 HydrophobicContact CG-CG 4.4Å; Y220-P480 WeakPolarHBondContact OH-CB 3.32Å; Y220-P480 WeakPolarHBondContact OH-CG 3.37Å; Y220-F489 HydrophobicContact CD2-CD1 4.2Å; Y220-F489 AromaticContact CD2-CD2 3.75Å; Y220-F489 HydrophobicContact CD2-CD2 3.75Å; Y220-F489 AromaticContact CD2-CE1 3.97Å; Y220-F489 HydrophobicContact CD2-CE1 3.97Å; Y220-F489 AromaticContact CD2-CE2 3.45Å; Y220-F489 HydrophobicContact CD2-CE2 3.45Å; Y220-F489 VanDerWaalsContact CD2-CE2 3.45Å; Y220-F489 HydrophobicContact CD2-CG 4.12Å; Y220-F489 AromaticContact CD2-CZ 3.6Å; Y220-F489 HydrophobicContact CD2-CZ 3.6Å; Y220-F489 AromaticContact CE2-CD2 3.68Å; Y220-F489 HydrophobicContact CE2-CD2 3.68Å; Y220-F489 AromaticContact CE2-CE2 3.81Å; Y220-F489 HydrophobicContact CE2-CE2 3.81Å; Y220-F489 HydrophobicContact CE2-CG 4.12Å; Y220-F489 HydrophobicContact CE2-CZ 4.38Å; Y220-F489 HydrophobicContact CG-CZ 4.49Å
221A95.9Very high97.4Very high0 Ų04.3 Ų4.30%02%0.02CC..G310 helixtrans-60.8-20.3169.600000112.5N81 Q85 T219 T223 T497N81-A221 HydrophobicContact CB-CB 4.41Å; Q85-A221 HydrophobicContact CG-CB 4.28Å; T219-A221 HydrophobicContact CG2-CB 4.22Å; T219-A221 PolarHBondContact O-N 3.33Å; T219-A221 PolarHBondContact OG1-N 3.37Å; A221-T223 VanDerWaalsContact C-N 3.3Å; A221-T223 PolarHBondContact O-N 3.4Å; A221-T497 HydrophobicContact CB-CG2 4.23Å
222A96.3Very high97.4Very high1 Ų13.7 Ų3.71%0.0082%0.018CC..G310 helixtrans-79-7.6175.500000113.5M82 F218 T219 Y220 L224 Y249 Y459M82-A222 HydrophobicContact CE-CB 4.5Å; M82-A222 HydrophobicContact SD-CB 3.71Å; F218-A222 HydrophobicContact CD1-CB 3.84Å; F218-A222 HydrophobicContact CE1-CB 4.4Å; T219-A222 HydrophobicContact CG2-CB 4.29Å; T219-A222 VanDerWaalsContact O-CB 3.27Å; T219-A222 WeakPolarHBondContact O-CB 3.4Å; T219-A222 PolarHBondContact O-N 3.08Å; Y220-A222 PolarHBondContact O-N 2.94Å; Y220-A222 VanDerWaalsContact O-N 3.17Å; A222-L224 PolarHBondContact O-N 2.91Å; A222-Y249 HydrophobicContact CB-CE1 4.23Å; A222-Y249 VanDerWaalsContact O-CD1 3.28Å; A222-Y249 WeakPolarHBondContact O-CD1 3.49Å; A222-Y249 WeakPolarHBondContact O-CE1 3.28Å; A222-Y459 HydrophobicContact CB-CE1 4.06Å
223T97.3Very high97.4Very high0 Ų06.7 Ų6.70%03%0.034CC..  trans-71.318.2-171.857.40000115.9Y220 A221 R225 Y459 N478 L502 Y506Y220-T223 WeakPolarHBondContact O-CB 3.41Å; Y220-T223 VanDerWaalsContact O-CG2 3.28Å; Y220-T223 WeakPolarHBondContact O-CG2 3.42Å; Y220-T223 PolarHBondContact O-N 3.08Å; Y220-T223 PolarHBondContact O-OG1 3.47Å; A221-T223 VanDerWaalsContact C-N 3.3Å; A221-T223 PolarHBondContact O-N 3.4Å; T223-R225 WeakPolarHBondContact O-CG 3.44Å; T223-R225 PolarHBondContact O-N 3.22Å; T223-Y459 VanDerWaalsContact CG2-CB 3.45Å; T223-Y459 HydrophobicContact CG2-CD1 3.94Å; T223-Y459 HydrophobicContact CG2-CD2 3.95Å; T223-Y459 HydrophobicContact CG2-CG 3.52Å; T223-N478 PolarHBondContact O-ND2 3.15Å; T223-L502 VanDerWaalsContact C-CD2 3.41Å; T223-Y506 HydrophobicContact CG2-CE1 4.24Å; T223-Y506 WeakPolarHBondContact OG1-CE1 3.43Å; T223-Y506 PolarHBondContact OG1-OH 3.01Å
224L98.1Very high97.3Very high0 Ų07.3 Ų7.30%04%0.037CC..  trans-86.190.6171-168.754.8000107.4I35 H74 D77 H78 A222 P250 L502I35-L224 HydrophobicContact CD1-CD1 4.08Å; I35-L224 HydrophobicContact CG1-CD1 3.88Å; H74-L224 HydrophobicContact CB-CD2 4.11Å; D77-L224 HydrophobicContact CB-CD2 3.62Å; H78-L224 HydrophobicContact CB-CD2 4.01Å; A222-L224 PolarHBondContact O-N 2.91Å; L224-P250 HydrophobicContact CD2-CG 4.11Å; L224-P250 HydrophobicContact CG-CG 3.91Å; L224-P250 WeakPolarHBondContact O-CD 3.34Å; L224-L502 HydrophobicContact CB-CD2 3.55Å; L224-L502 HydrophobicContact CD1-CD2 4.02Å; L224-L502 HydrophobicContact CG-CD2 4.34Å; L224-L502 VanDerWaalsContact N-CD2 3.27Å
225R98.2Very high97.2Very high1 Ų112.7 Ų12.70%0.0047%0.07CC..  trans-103.1140.9-163.6-51.5-52.6-63.2-72.71.9113.1I35 W40 G41 T223 S248 Y249 D257 Y459 D460 N478I35-R225 HydrophobicContact CD1-CB 4.45Å; W40-R225 HydrophobicContact CD2-CB 3.91Å; W40-R225 HydrophobicContact CE3-CB 3.35Å; W40-R225 HydrophobicContact CE3-CG 4.36Å; W40-R225 HydrophobicContact CH2-CB 4.05Å; W40-R225 HydrophobicContact CH2-CG 4.3Å; W40-R225 VanDerWaalsContact CH2-CZ 3.49Å; W40-R225 HydrophobicContact CZ3-CB 3.45Å; W40-R225 VanDerWaalsContact CZ3-CB 3.45Å; W40-R225 HydrophobicContact CZ3-CG 4.18Å; G41-R225 PolarHBondContact N-O 2.87Å; T223-R225 WeakPolarHBondContact O-CG 3.44Å; T223-R225 PolarHBondContact O-N 3.22Å; R225-S248 PolarHBondContact NE-O 3.06Å; R225-Y249 PolarHBondContact NE-OH 2.89Å; R225-Y249 PolarHBondContact NH2-OH 3.12Å; R225-D257 IonicContact CZ-OD2 3.73Å; R225-D257 VanDerWaalsContact NH2-CG 3.26Å; R225-D257 IonicContact NH2-OD1 3.63Å; R225-D257 PolarHBondContact NH2-OD1 3.28Å; R225-D257 IonicContact NH2-OD2 3.54Å; R225-D257 PolarHBondContact NH2-OD2 2.89Å; R225-Y459 VanDerWaalsContact NH1-CE2 3.27Å; R225-D460 IonicContact CZ-OD2 2.97Å; R225-D460 VanDerWaalsContact NH1-CB 3.31Å; R225-D460 IonicContact NH1-OD2 2.87Å; R225-D460 PolarHBondContact NH1-OD2 3.07Å; R225-D460 IonicContact NH2-OD2 3.29Å; R225-D460 PolarHBondContact NH2-OD2 3.25Å; R225-N478 HydrophobicContact CG-CB 4.28Å; R225-N478 VanDerWaalsContact CG-CG 3.43Å; R225-N478 VanDerWaalsContact CG-ND2 3.32Å; R225-N478 WeakPolarHBondContact CG-ND2 3.45Å; R225-N478 WeakPolarHBondContact CG-OD1 3.47Å
226I98.6Very high97.1Very high0 Ų013.5 Ų13.50%07%0.074CC..EExtended strand (participates in β ladder)trans-126.5125.6168.4-58.2-174.4000108.8Y31 G41 L43 T71 K228 S248 P250Y31-I226 HydrophobicContact CD2-CD1 4.34Å; Y31-I226 HydrophobicContact CE2-CD1 3.6Å; Y31-I226 HydrophobicContact CE2-CG1 3.85Å; Y31-I226 HydrophobicContact CE2-CG2 4.14Å; G41-I226 CarbonylContact O-C 3.58Å; G41-I226 WeakPolarHBondContact O-CA 3.46Å; L43-I226 HydrophobicContact CB-CG2 3.57Å; T71-I226 HydrophobicContact CG2-CD1 3.8Å; I226-K228 HydrophobicContact CB-CG 4.49Å; I226-K228 HydrophobicContact CG2-CG 3.76Å; I226-S248 PolarHBondContact N-O 2.89Å; I226-S248 CarbonylContact O-C 3.47Å; I226-S248 VanDerWaalsContact O-CA 3.28Å; I226-S248 WeakPolarHBondContact O-CA 3.47Å; I226-S248 WeakPolarHBondContact O-CB 3.38Å; I226-S248 PolarHBondContact O-N 2.86Å; I226-P250 HydrophobicContact CD1-CB 3.98Å; I226-P250 HydrophobicContact CD1-CG 3.79Å; I226-P250 HydrophobicContact CG1-CG 4.02Å
227Y98.8Very high97.1Very high0 Ų018.7 Ų18.70%011%0.108CC..EExtended strand (participates in β ladder)trans-88.7126.1166.2-156.5-83.6000109.4W40 G41 V42 L43 H229 S245 A474 A476 M513W40-Y227 HydrophobicContact CZ3-CD2 4.29Å; G41-Y227 PolarHBondContact O-N 2.87Å; V42-Y227 CarbonylContact C-O 3.54Å; V42-Y227 WeakPolarHBondContact CA-O 3.4Å; L43-Y227 PolarHBondContact N-O 2.85Å; Y227-H229 AromaticContact CD1-CE1 3.86Å; Y227-H229 AromaticContact CD1-NE2 3.55Å; Y227-H229 AromaticContact CE1-CE1 3.59Å; Y227-H229 AromaticContact CE1-NE2 3.77Å; Y227-S245 VanDerWaalsContact CE1-OG 3.26Å; Y227-S245 WeakPolarHBondContact CE1-OG 3.41Å; Y227-A474 WeakPolarHBondContact OH-CB 3.49Å; Y227-A476 HydrophobicContact CD2-CB 4.48Å; Y227-M513 HydrophobicContact CD1-CB 3.45Å; Y227-M513 VanDerWaalsContact CD1-CB 3.45Å; Y227-M513 HydrophobicContact CD1-CG 3.83Å; Y227-M513 HydrophobicContact CD1-SD 4.39Å; Y227-M513 HydrophobicContact CD2-CB 4.03Å; Y227-M513 HydrophobicContact CD2-CE 4.22Å; Y227-M513 HydrophobicContact CD2-CG 3.58Å; Y227-M513 HydrophobicContact CD2-SD 4.35Å; Y227-M513 HydrophobicContact CE1-CB 3.36Å; Y227-M513 HydrophobicContact CE1-CG 4.04Å; Y227-M513 HydrophobicContact CE2-CB 3.99Å; Y227-M513 HydrophobicContact CE2-CG 3.85Å; Y227-M513 HydrophobicContact CG-CB 3.77Å; Y227-M513 HydrophobicContact CG-CE 4.19Å; Y227-M513 HydrophobicContact CG-CG 3.56Å; Y227-M513 HydrophobicContact CG-SD 3.95Å
228K98.9Very high97.3Very high0 Ų021 Ų210%012%0.121CC..EExtended strand (participates in β ladder)trans-113.6137.9-168.6-61.2-173-177.2-177.50111.4L43 E67 I226 W230 S245 F246 S248 Y249 F252L43-K228 HydrophobicContact CB-CG 4.25Å; L43-K228 HydrophobicContact CD2-CD 4.09Å; L43-K228 HydrophobicContact CD2-CG 4.1Å; L43-K228 CarbonylContact O-C 3.48Å; L43-K228 WeakPolarHBondContact O-CA 3.28Å; E67-K228 IonicContact OE1-NZ 3.15Å; E67-K228 PolarHBondContact OE1-NZ 3.43Å; I226-K228 HydrophobicContact CB-CG 4.49Å; I226-K228 HydrophobicContact CG2-CG 3.76Å; K228-W230 HydrophobicContact CD-CZ2 4.17Å; K228-S245 WeakPolarHBondContact O-CA 3.46Å; K228-F246 HydrophobicContact CB-CD1 4.16Å; K228-F246 HydrophobicContact CB-CE1 3.68Å; K228-F246 HydrophobicContact CB-CE2 4.16Å; K228-F246 HydrophobicContact CB-CZ 3.67Å; K228-F246 HydrophobicContact CD-CE2 3.95Å; K228-F246 HydrophobicContact CD-CZ 3.72Å; K228-F246 HydrophobicContact CG-CE2 4.45Å; K228-F246 HydrophobicContact CG-CZ 4.23Å; K228-F246 PolarHBondContact N-O 3.08Å; K228-F246 PolarHBondContact O-N 3.38Å; K228-S248 VanDerWaalsContact CE-OG 3.32Å; K228-S248 WeakPolarHBondContact CE-OG 3.42Å; K228-S248 PolarHBondContact NZ-OG 2.83Å; K228-Y249 VanDerWaalsContact CE-O 3.28Å; K228-Y249 WeakPolarHBondContact CE-O 3.35Å; K228-Y249 PolarHBondContact NZ-O 3.44Å; K228-F252 PolarHBondContact NZ-O 3.16Å
229H98.9Very high97.6Very high6 Ų621.3 Ų21.33%0.02812%0.124CC..EExtended strand (participates in β ladder)trans-124.1117.1169.8-60.3-78.9000108.2L43 E44 I45 Y227 V244 S245 R514 P515L43-H229 PolarHBondContact O-N 3.24Å; E44-H229 VanDerWaalsContact CA-O 3.31Å; E44-H229 WeakPolarHBondContact CA-O 3.36Å; E44-H229 HydrophobicContact CB-CB 4.2Å; E44-H229 HydrophobicContact CG-CB 3.87Å; I45-H229 PolarHBondContact N-O 3.43Å; Y227-H229 AromaticContact CD1-CE1 3.86Å; Y227-H229 AromaticContact CD1-NE2 3.55Å; Y227-H229 AromaticContact CE1-CE1 3.59Å; Y227-H229 AromaticContact CE1-NE2 3.77Å; H229-V244 WeakPolarHBondContact CA-O 3.29Å; H229-S245 PolarHBondContact CE1-OG 3.01Å; H229-S245 WeakPolarHBondContact ND1-CB 3.47Å; H229-S245 PolarHBondContact ND1-OG 3.32Å; H229-R514 VanDerWaalsContact CE1-C 3.48Å; H229-P515 HydrophobicContact CB-CB 4.2Å
230W98.8Very high97.8Very high5 Ų525.8 Ų25.82%0.01914%0.143CC..EExtended strand (participates in β ladder)trans-116.3139.8175.9-65.5-22.8000109.8E67 K228 F232 R243 V244 F246 L253 R296E67-W230 VanDerWaalsContact OE2-CE2 3.25Å; E67-W230 WeakPolarHBondContact OE2-CZ2 3.29Å; E67-W230 PolarHBondContact OE2-NE1 3.19Å; K228-W230 HydrophobicContact CD-CZ2 4.17Å; W230-F232 HydrophobicContact CB-CD1 4.49Å; W230-F232 HydrophobicContact CB-CE1 3.78Å; W230-F232 HydrophobicContact CB-CE2 3.93Å; W230-F232 HydrophobicContact CB-CZ 3.49Å; W230-F232 VanDerWaalsContact CB-CZ 3.49Å; W230-F232 AromaticContact CD1-CZ 3.8Å; W230-F232 HydrophobicContact CD2-CE2 4.04Å; W230-F232 AromaticContact CD2-CZ 3.75Å; W230-F232 HydrophobicContact CD2-CZ 3.75Å; W230-F232 HydrophobicContact CE3-CE2 4.09Å; W230-F232 HydrophobicContact CE3-CZ 4.28Å; W230-F232 HydrophobicContact CG-CE1 4.03Å; W230-F232 HydrophobicContact CG-CE2 4.02Å; W230-F232 AromaticContact CG-CZ 3.41Å; W230-F232 HydrophobicContact CG-CZ 3.41Å; W230-F232 VanDerWaalsContact CG-CZ 3.41Å; W230-R243 CarbonylContact O-C 3.56Å; W230-R243 VanDerWaalsContact O-CA 3.26Å; W230-R243 WeakPolarHBondContact O-CA 3.2Å; W230-V244 HydrophobicContact CB-CG2 3.84Å; W230-V244 HydrophobicContact CD2-CG2 4.2Å; W230-V244 HydrophobicContact CE3-CG2 3.6Å; W230-V244 HydrophobicContact CG-CG2 4.34Å; W230-V244 HydrophobicContact CZ3-CG2 4.47Å; W230-V244 PolarHBondContact N-O 3.36Å; W230-V244 PolarHBondContact O-N 2.93Å; W230-F246 AromaticContact CD2-CE1 3.75Å; W230-F246 HydrophobicContact CD2-CE1 3.75Å; W230-F246 HydrophobicContact CD2-CZ 4.01Å; W230-F246 AromaticContact CE2-CZ 3.87Å; W230-F246 AromaticContact CE3-CE1 3.62Å; W230-F246 HydrophobicContact CE3-CE1 3.62Å; W230-F246 AromaticContact CE3-CZ 3.87Å; W230-F246 HydrophobicContact CE3-CZ 3.87Å; W230-F246 HydrophobicContact CG-CE1 4.38Å; W230-F246 HydrophobicContact CH2-CE1 4.15Å; W230-F246 HydrophobicContact CH2-CE2 4.48Å; W230-F246 AromaticContact CH2-CZ 3.5Å; W230-F246 HydrophobicContact CH2-CZ 3.5Å; W230-F246 VanDerWaalsContact CH2-CZ 3.5Å; W230-F246 HydrophobicContact CZ2-CE1 4.27Å; W230-F246 AromaticContact CZ2-CZ 3.66Å; W230-F246 HydrophobicContact CZ2-CZ 3.66Å; W230-F246 AromaticContact CZ3-CE1 3.79Å; W230-F246 HydrophobicContact CZ3-CE1 3.79Å; W230-F246 AromaticContact CZ3-CZ 3.57Å; W230-F246 HydrophobicContact CZ3-CZ 3.57Å; W230-L253 HydrophobicContact CH2-CB 4.19Å; W230-L253 HydrophobicContact CH2-CD2 4.07Å; W230-L253 HydrophobicContact CZ2-CD2 3.96Å; W230-R296 VanDerWaalsContact CZ3-NH1 3.29Å
231N98.7Very high97.9Very high30 Ų3026.4 Ų26.416%0.1615%0.147CC..EExtended strand (participates in β ladder)trans-143.599.1171.7-175.317.6000109.3I45 R46 A47 Y49 R243I45-N231 PolarHBondContact O-N 3.4Å; R46-N231 VanDerWaalsContact CA-O 3.26Å; R46-N231 WeakPolarHBondContact CA-O 3.31Å; R46-N231 HydrophobicContact CG-CB 4.28Å; A47-N231 PolarHBondContact N-O 3.04Å; Y49-N231 WeakPolarHBondContact CE2-O 3.47Å; Y49-N231 PolarHBondContact OH-OD1 3.1Å; N231-R243 HydrophobicContact CB-CG 4.11Å
232F98.6Very high97.9Very high5 Ų527.5 Ų27.52%0.02215%0.154CC..EExtended strand (participates in β ladder)trans-109.7135.1-175.5-50.4-31.6000110I45 A47 I59 M60 W230 I234 S242I45-F232 HydrophobicContact CB-CE1 4.19Å; I45-F232 HydrophobicContact CG2-CE1 3.74Å; A47-F232 HydrophobicContact CB-CD1 3.81Å; A47-F232 HydrophobicContact CB-CE1 4.43Å; I59-F232 HydrophobicContact CG2-CB 4.22Å; M60-F232 HydrophobicContact CE-CD2 4.44Å; M60-F232 HydrophobicContact SD-CD2 3.67Å; M60-F232 HydrophobicContact SD-CE2 4.24Å; M60-F232 HydrophobicContact SD-CG 4.48Å; W230-F232 HydrophobicContact CB-CD1 4.49Å; W230-F232 HydrophobicContact CB-CE1 3.78Å; W230-F232 HydrophobicContact CB-CE2 3.93Å; W230-F232 HydrophobicContact CB-CZ 3.49Å; W230-F232 VanDerWaalsContact CB-CZ 3.49Å; W230-F232 AromaticContact CD1-CZ 3.8Å; W230-F232 HydrophobicContact CD2-CE2 4.04Å; W230-F232 AromaticContact CD2-CZ 3.75Å; W230-F232 HydrophobicContact CD2-CZ 3.75Å; W230-F232 HydrophobicContact CE3-CE2 4.09Å; W230-F232 HydrophobicContact CE3-CZ 4.28Å; W230-F232 HydrophobicContact CG-CE1 4.03Å; W230-F232 HydrophobicContact CG-CE2 4.02Å; W230-F232 AromaticContact CG-CZ 3.41Å; W230-F232 HydrophobicContact CG-CZ 3.41Å; W230-F232 VanDerWaalsContact CG-CZ 3.41Å; F232-I234 HydrophobicContact CB-CD1 4.41Å; F232-I234 HydrophobicContact CB-CG1 4.01Å; F232-I234 PolarHBondContact O-N 3.04Å; F232-S242 PolarHBondContact N-O 3.39Å; F232-S242 WeakPolarHBondContact O-CB 3.25Å; F232-S242 PolarHBondContact O-OG 2.81Å
233N97.7Very high98Very high62 Ų6232.2 Ų32.233%0.33217%0.172SC..  trans-82.961.3-179.4-166.431.6000111.8A47 G48 Y49 I59A47-N233 PolarHBondContact O-N 2.79Å; G48-N233 VanDerWaalsContact O-CB 3.29Å; G48-N233 WeakPolarHBondContact O-CB 3.36Å; G48-N233 PolarHBondContact O-ND2 2.66Å; Y49-N233 HydrophobicContact CD1-CB 4.03Å; Y49-N233 HydrophobicContact CD2-CB 4.3Å; Y49-N233 HydrophobicContact CE1-CB 3.74Å; Y49-N233 HydrophobicContact CE2-CB 4.05Å; Y49-N233 HydrophobicContact CG-CB 4.3Å; I59-N233 WeakPolarHBondContact CD1-O 3.28Å
234I97.7Very high98.1Very high14 Ų1432.9 Ų32.97%0.07218%0.176CC..  trans-79.3122.9178.3-57.6-58.8000108.9N56 I59 M60 Y125 F232 D236 T239N56-I234 HydrophobicContact CB-CD1 4.08Å; N56-I234 HydrophobicContact CB-CG2 4.2Å; I59-I234 HydrophobicContact CB-CD1 4.03Å; I59-I234 HydrophobicContact CG2-CD1 3.76Å; M60-I234 HydrophobicContact CG-CD1 3.77Å; M60-I234 HydrophobicContact SD-CD1 3.84Å; M60-I234 HydrophobicContact SD-CG1 4.18Å; Y125-I234 HydrophobicContact CD2-CG2 4.38Å; Y125-I234 HydrophobicContact CE2-CG2 4.02Å; F232-I234 HydrophobicContact CB-CD1 4.41Å; F232-I234 HydrophobicContact CB-CG1 4.01Å; F232-I234 PolarHBondContact O-N 3.04Å; I234-D236 HydrophobicContact CG2-CB 4.4Å; I234-T239 HydrophobicContact CG2-CG2 4.28Å
235V96Very high98.1Very high113 Ų11332.9 Ų32.969%0.68518%0.176SC*.  trans-110.889.5177.7-174.20000108N56N56-V235 PolarHBondContact ND2-O 3.18Å; N56-V235 PolarHBondContact OD1-N 2.92Å
236D97.4Very high98.1Very high17 Ų1732.9 Ų32.99%0.09118%0.176CC..  trans-138.5132.3172.7-177.1-51.9000107.5R121 Y125 I234 D238 T239R121-D236 IonicContact CZ-OD2 3.86Å; R121-D236 IonicContact NE-OD2 2.72Å; R121-D236 PolarHBondContact NE-OD2 3.19Å; R121-D236 IonicContact NH2-OD1 2.68Å; R121-D236 PolarHBondContact NH2-OD1 3.49Å; R121-D236 VanDerWaalsContact NH2-OD1 3.11Å; R121-D236 IonicContact NH2-OD2 3.54Å; R121-D236 PolarHBondContact NH2-OD2 3.45Å; R121-D236 VanDerWaalsContact NH2-OD2 3.15Å; Y125-D236 HydrophobicContact CE2-CB 4.37Å; Y125-D236 PolarHBondContact OH-OD2 3.08Å; Y125-D236 VanDerWaalsContact OH-OD2 3.11Å; I234-D236 HydrophobicContact CG2-CB 4.4Å; D236-D238 PolarHBondContact O-N 3.06Å; D236-D238 VanDerWaalsContact O-N 3.16Å; D236-D238 WeakPolarHBondContact OD1-CB 3.5Å; D236-D238 PolarHBondContact OD1-N 2.96Å; D236-T239 PolarHBondContact O-N 3.38Å
237P97.4Very high98.1Very high111 Ų11132.9 Ų32.972%0.72118%0.176SC*.THydrogen-bonded Turntrans-59.9-24.1-177.625.1-35.9000114.1
238D98.1Very high98.1Very high58 Ų5832.9 Ų32.931%0.3118%0.176SC..THydrogen-bonded Turntrans-93.2-5.7179.7-61.1-64.7000112.7P118 R121 D236 M301P118-D238 HydrophobicContact CB-CB 3.77Å; P118-D238 WeakPolarHBondContact CB-OD2 3.39Å; P118-D238 HydrophobicContact CG-CB 4.39Å; P118-D238 WeakPolarHBondContact CG-OD2 3.16Å; R121-D238 IonicContact CZ-OD2 2.76Å; R121-D238 IonicContact NH2-OD2 3.87Å; R121-D238 PolarHBondContact NH2-OD2 2.84Å; D236-D238 PolarHBondContact O-N 3.06Å; D236-D238 VanDerWaalsContact O-N 3.16Å; D236-D238 WeakPolarHBondContact OD1-CB 3.5Å; D236-D238 PolarHBondContact OD1-N 2.96Å; D238-M301 HydrophobicContact CB-CE 4.41Å
239T98.4Very high98.1Very high21 Ų2132.9 Ų32.913%0.12918%0.176CC..  trans-82.7117.3170-62.90000110.1H122 I234 D236H122-T239 PolarHBondContact NE2-OG1 3.28Å; I234-T239 HydrophobicContact CG2-CG2 4.28Å; D236-T239 PolarHBondContact O-N 3.38Å
240K98.4Very high98.1Very high97 Ų9732.6 Ų32.642%0.42218%0.175SC..SBendtrans-88.7-29.9174.4-58.4-57.6-178.2-158.10112.5M300 M301 D303K240-M300 PolarHBondContact N-O 3.13Å; K240-M301 WeakPolarHBondContact CG-O 3.05Å; K240-D303 HydrophobicContact CB-CB 4.27Å; K240-D303 HydrophobicContact CD-CB 4.09Å; K240-D303 HydrophobicContact CG-CB 3.89Å
241T97.9Very high98Very high13 Ų1332.3 Ų32.38%0.0817%0.174CC..  trans-156.2144171.1-166.20000112.9R243 L262 G263 N299 M300T241-R243 PolarHBondContact OG1-N 3.35Å; T241-R243 PolarHBondContact OG1-O 3.28Å; T241-L262 HydrophobicContact CG2-CB 4.18Å; T241-G263 WeakPolarHBondContact OG1-CA 3.42Å; T241-G263 PolarHBondContact OG1-N 3.49Å; T241-N299 VanDerWaalsContact CG2-O 3.3Å; T241-N299 WeakPolarHBondContact CG2-O 3.09Å; T241-M300 PolarHBondContact N-O 3.49Å; T241-M300 VanDerWaalsContact N-O 3.11Å; T241-M300 WeakPolarHBondContact O-CA 3.22Å
242S96.6Very high98Very high23 Ų2331 Ų3116%0.16117%0.166CC..  trans-125.515.717251.40000110.8F232F232-S242 PolarHBondContact N-O 3.39Å; F232-S242 WeakPolarHBondContact O-CB 3.25Å; F232-S242 PolarHBondContact O-OG 2.81Å
243R98.2Very high98Very high100 Ų10030.7 Ų30.738%0.37717%0.165SC..EExtended strand (participates in β ladder)trans-117.5119.3177.1-173.4-178.8174.6-168.4-0.5109.3W230 N231 T241 G263 F472W230-R243 CarbonylContact O-C 3.56Å; W230-R243 VanDerWaalsContact O-CA 3.26Å; W230-R243 WeakPolarHBondContact O-CA 3.2Å; N231-R243 HydrophobicContact CB-CG 4.11Å; T241-R243 PolarHBondContact OG1-N 3.35Å; T241-R243 PolarHBondContact OG1-O 3.28Å; R243-G263 PolarHBondContact O-N 2.99Å; R243-F472 HydrophobicContact CB-CE1 4.37Å; R243-F472 HydrophobicContact CB-CZ 4.22Å; R243-F472 VanDerWaalsContact CD-CZ 3.48Å; R243-F472 HydrophobicContact CG-CD1 4.44Å; R243-F472 HydrophobicContact CG-CE1 3.7Å; R243-F472 HydrophobicContact CG-CE2 4.39Å; R243-F472 HydrophobicContact CG-CZ 3.64Å
244V98.4Very high98Very high15 Ų1528 Ų289%0.09115%0.151CC..EExtended strand (participates in β ladder)trans-141.8150.3-174.8-59.90000111.6H229 W230 F246 I261 L262H229-V244 WeakPolarHBondContact CA-O 3.29Å; W230-V244 HydrophobicContact CB-CG2 3.84Å; W230-V244 HydrophobicContact CD2-CG2 4.2Å; W230-V244 HydrophobicContact CE3-CG2 3.6Å; W230-V244 HydrophobicContact CG-CG2 4.34Å; W230-V244 HydrophobicContact CZ3-CG2 4.47Å; W230-V244 PolarHBondContact N-O 3.36Å; W230-V244 PolarHBondContact O-N 2.93Å; V244-F246 HydrophobicContact CB-CD1 4.32Å; V244-F246 HydrophobicContact CG2-CD1 3.84Å; V244-F246 HydrophobicContact CG2-CE1 3.72Å; V244-I261 WeakPolarHBondContact CA-O 3.34Å; V244-L262 HydrophobicContact CB-CD2 4.15Å; V244-L262 HydrophobicContact CG1-CD2 3.46Å; V244-L262 VanDerWaalsContact CG1-CD2 3.46Å
245S98.9Very high98Very high0 Ų027.4 Ų27.40%015%0.148CC..EExtended strand (participates in β ladder)trans-134.6124.7173.3179.40000109.9Y227 K228 H229 I261Y227-S245 VanDerWaalsContact CE1-OG 3.26Å; Y227-S245 WeakPolarHBondContact CE1-OG 3.41Å; K228-S245 WeakPolarHBondContact O-CA 3.46Å; H229-S245 PolarHBondContact CE1-OG 3.01Å; H229-S245 WeakPolarHBondContact ND1-CB 3.47Å; H229-S245 PolarHBondContact ND1-OG 3.32Å; S245-I261 PolarHBondContact N-O 3.17Å; S245-I261 PolarHBondContact O-N 3.19Å
246F98.9Very high97.9Very high0 Ų022.8 Ų22.80%012%0.12CC..EExtended strand (participates in β ladder)trans-158.2152.6-169.563-75.5000113K228 W230 V244 F259 Y260K228-F246 HydrophobicContact CB-CD1 4.16Å; K228-F246 HydrophobicContact CB-CE1 3.68Å; K228-F246 HydrophobicContact CB-CE2 4.16Å; K228-F246 HydrophobicContact CB-CZ 3.67Å; K228-F246 HydrophobicContact CD-CE2 3.95Å; K228-F246 HydrophobicContact CD-CZ 3.72Å; K228-F246 HydrophobicContact CG-CE2 4.45Å; K228-F246 HydrophobicContact CG-CZ 4.23Å; K228-F246 PolarHBondContact N-O 3.08Å; K228-F246 PolarHBondContact O-N 3.38Å; W230-F246 AromaticContact CD2-CE1 3.75Å; W230-F246 HydrophobicContact CD2-CE1 3.75Å; W230-F246 HydrophobicContact CD2-CZ 4.01Å; W230-F246 AromaticContact CE2-CZ 3.87Å; W230-F246 AromaticContact CE3-CE1 3.62Å; W230-F246 HydrophobicContact CE3-CE1 3.62Å; W230-F246 AromaticContact CE3-CZ 3.87Å; W230-F246 HydrophobicContact CE3-CZ 3.87Å; W230-F246 HydrophobicContact CG-CE1 4.38Å; W230-F246 HydrophobicContact CH2-CE1 4.15Å; W230-F246 HydrophobicContact CH2-CE2 4.48Å; W230-F246 AromaticContact CH2-CZ 3.5Å; W230-F246 HydrophobicContact CH2-CZ 3.5Å; W230-F246 VanDerWaalsContact CH2-CZ 3.5Å; W230-F246 HydrophobicContact CZ2-CE1 4.27Å; W230-F246 AromaticContact CZ2-CZ 3.66Å; W230-F246 HydrophobicContact CZ2-CZ 3.66Å; W230-F246 AromaticContact CZ3-CE1 3.79Å; W230-F246 HydrophobicContact CZ3-CE1 3.79Å; W230-F246 AromaticContact CZ3-CZ 3.57Å; W230-F246 HydrophobicContact CZ3-CZ 3.57Å; V244-F246 HydrophobicContact CB-CD1 4.32Å; V244-F246 HydrophobicContact CG2-CD1 3.84Å; V244-F246 HydrophobicContact CG2-CE1 3.72Å; F246-F259 WeakPolarHBondContact CA-O 3.17Å; F246-F259 WeakPolarHBondContact CB-O 3.44Å; F246-Y260 HydrophobicContact CB-CD1 3.48Å; F246-Y260 VanDerWaalsContact CB-CD1 3.48Å; F246-Y260 HydrophobicContact CB-CE1 3.7Å; F246-Y260 HydrophobicContact CB-CG 3.95Å; F246-Y260 HydrophobicContact CD1-CD1 4.08Å; F246-Y260 AromaticContact CD1-CE1 3.87Å; F246-Y260 HydrophobicContact CD1-CE1 3.87Å; F246-Y260 HydrophobicContact CD2-CD1 4.37Å; F246-Y260 AromaticContact CD2-CE1 3.69Å; F246-Y260 HydrophobicContact CD2-CE1 3.69Å; F246-Y260 HydrophobicContact CE1-CE1 4.43Å; F246-Y260 HydrophobicContact CE2-CE1 4.26Å; F246-Y260 AromaticContact CG-CD1 3.75Å; F246-Y260 HydrophobicContact CG-CD1 3.75Å; F246-Y260 AromaticContact CG-CE1 3.48Å; F246-Y260 HydrophobicContact CG-CE1 3.48Å; F246-Y260 VanDerWaalsContact CG-CE1 3.48Å
247S98.6Very high97.4Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-78.7142169.453.90000110.4S255 D257 K462S247-S255 WeakPolarHBondContact O-CA 3.3Å; S247-S255 WeakPolarHBondContact O-CB 3.43Å; S247-S255 PolarHBondContact O-OG 3.47Å; S247-D257 VanDerWaalsContact CB-OD2 3.3Å; S247-D257 WeakPolarHBondContact CB-OD2 3.36Å; S247-D257 PolarHBondContact OG-OD2 2.98Å; S247-K462 WeakPolarHBondContact OG-CD 3.03Å; S247-K462 WeakPolarHBondContact OG-CE 3.4Å
248S98.6Very high96.8Very high0 Ų016.8 Ų16.80%08%0.081CC..EExtended strand (participates in β ladder)trans-160.5-161-172.5-173.80000110.8R225 I226 K228 F252 V254R225-S248 PolarHBondContact NE-O 3.06Å; I226-S248 PolarHBondContact N-O 2.89Å; I226-S248 CarbonylContact O-C 3.47Å; I226-S248 VanDerWaalsContact O-CA 3.28Å; I226-S248 WeakPolarHBondContact O-CA 3.47Å; I226-S248 WeakPolarHBondContact O-CB 3.38Å; I226-S248 PolarHBondContact O-N 2.86Å; K228-S248 VanDerWaalsContact CE-OG 3.32Å; K228-S248 WeakPolarHBondContact CE-OG 3.42Å; K228-S248 PolarHBondContact NZ-OG 2.83Å; S248-F252 PolarHBondContact OG-O 2.95Å; S248-V254 PolarHBondContact OG-O 2.96Å
249Y98.6Very high96.8Very high0 Ų014 Ų140%07%0.067CC..  trans-139.9159.8-172.6-55.2-89.5000110.2H78 A222 R225 K228 G251 F252 S255 L256 D257 Y459H78-Y249 AromaticContact CE1-CD1 3.61Å; H78-Y249 AromaticContact NE2-CD1 3.61Å; H78-Y249 AromaticContact NE2-CG 3.74Å; A222-Y249 HydrophobicContact CB-CE1 4.23Å; A222-Y249 VanDerWaalsContact O-CD1 3.28Å; A222-Y249 WeakPolarHBondContact O-CD1 3.49Å; A222-Y249 WeakPolarHBondContact O-CE1 3.28Å; R225-Y249 PolarHBondContact NE-OH 2.89Å; R225-Y249 PolarHBondContact NH2-OH 3.12Å; K228-Y249 VanDerWaalsContact CE-O 3.28Å; K228-Y249 WeakPolarHBondContact CE-O 3.35Å; K228-Y249 PolarHBondContact NZ-O 3.44Å; Y249-G251 PolarHBondContact O-N 2.79Å; Y249-F252 AromaticContact CD2-CD1 3.88Å; Y249-F252 HydrophobicContact CD2-CD1 3.88Å; Y249-F252 HydrophobicContact CD2-CE1 4.08Å; Y249-F252 HydrophobicContact CD2-CG 4.19Å; Y249-F252 HydrophobicContact CG-CD1 4.4Å; Y249-F252 HydrophobicContact CG-CD2 4.44Å; Y249-F252 HydrophobicContact CG-CE1 4.49Å; Y249-F252 HydrophobicContact CG-CG 4.36Å; Y249-F252 HydrophobicContact CG-CZ 4.5Å; Y249-F252 PolarHBondContact O-N 2.61Å; Y249-S255 WeakPolarHBondContact CE2-O 3.19Å; Y249-L256 HydrophobicContact CD2-CB 4.18Å; Y249-L256 HydrophobicContact CD2-CD2 4.37Å; Y249-L256 HydrophobicContact CE2-CB 3.83Å; Y249-L256 HydrophobicContact CE2-CD2 3.96Å; Y249-L256 HydrophobicContact CE2-CG 4.31Å; Y249-D257 PolarHBondContact OH-OD1 2.94Å; Y249-Y459 WeakPolarHBondContact OH-CE2 3.25Å; Y249-Y459 PolarHBondContact OH-OH 3.15Å
250P98.4Very high96.8Very high0 Ų013.1 Ų13.10%06%0.061CC..THydrogen-bonded Turntrans-56.7127.5171.8-2028.9000112.1H74 M75 H78 L224 I226 F252H74-P250 VanDerWaalsContact C-CB 3.41Å; H74-P250 HydrophobicContact CB-CB 3.76Å; H74-P250 HydrophobicContact CB-CG 3.57Å; H74-P250 VanDerWaalsContact O-CB 3.31Å; H74-P250 WeakPolarHBondContact O-CB 3.31Å; M75-P250 HydrophobicContact CG-CB 4.19Å; H78-P250 HydrophobicContact CB-CB 4.23Å; H78-P250 HydrophobicContact CB-CG 4.15Å; L224-P250 HydrophobicContact CD2-CG 4.11Å; L224-P250 HydrophobicContact CG-CG 3.91Å; L224-P250 WeakPolarHBondContact O-CD 3.34Å; I226-P250 HydrophobicContact CD1-CB 3.98Å; I226-P250 HydrophobicContact CD1-CG 3.79Å; I226-P250 HydrophobicContact CG1-CG 4.02Å; P250-F252 WeakPolarHBondContact O-CD2 3.3Å; P250-F252 PolarHBondContact O-N 2.73Å
251G97.7Very high96.8Very high0 Ų08.7 Ų8.70%04%0.042CC..THydrogen-bonded Turntrans77.4-4.1178.700000116L133 N158 Y249L133-G251 WeakPolarHBondContact CD2-O 3.21Å; N158-G251 PolarHBondContact ND2-O 2.84Å; Y249-G251 PolarHBondContact O-N 2.79Å
252F98.5Very high96.9Very high1 Ų18.2 Ų8.20%0.0044%0.039CC..  trans-87114.5177.3-79.4-127.6000110.7H78 L157 V160 K228 S248 Y249 P250 V254 L256H78-F252 AromaticContact CD2-CE2 3.41Å; H78-F252 VanDerWaalsContact CD2-CE2 3.41Å; H78-F252 WeakPolarHBondContact CD2-CE2 3.43Å; H78-F252 AromaticContact NE2-CE2 3.38Å; H78-F252 WeakPolarHBondContact NE2-CE2 3.49Å; H78-F252 AromaticContact NE2-CZ 3.74Å; L157-F252 HydrophobicContact CB-CD2 3.88Å; L157-F252 HydrophobicContact CB-CE2 3.74Å; L157-F252 HydrophobicContact CD2-CD2 4.45Å; L157-F252 HydrophobicContact CD2-CE2 3.78Å; L157-F252 HydrophobicContact CG-CE2 4.33Å; L157-F252 WeakPolarHBondContact O-CD1 3.47Å; L157-F252 WeakPolarHBondContact O-CE1 3.43Å; L157-F252 WeakPolarHBondContact O-CE2 3.49Å; L157-F252 WeakPolarHBondContact O-CZ 3.19Å; V160-F252 HydrophobicContact CB-CE1 3.94Å; V160-F252 HydrophobicContact CB-CZ 3.78Å; V160-F252 HydrophobicContact CG1-CE1 4.42Å; V160-F252 HydrophobicContact CG1-CZ 4.24Å; V160-F252 HydrophobicContact CG2-CE1 4.3Å; V160-F252 HydrophobicContact CG2-CE2 4.46Å; V160-F252 HydrophobicContact CG2-CZ 3.65Å; K228-F252 PolarHBondContact NZ-O 3.16Å; S248-F252 PolarHBondContact OG-O 2.95Å; Y249-F252 AromaticContact CD2-CD1 3.88Å; Y249-F252 HydrophobicContact CD2-CD1 3.88Å; Y249-F252 HydrophobicContact CD2-CE1 4.08Å; Y249-F252 HydrophobicContact CD2-CG 4.19Å; Y249-F252 HydrophobicContact CG-CD1 4.4Å; Y249-F252 HydrophobicContact CG-CD2 4.44Å; Y249-F252 HydrophobicContact CG-CE1 4.49Å; Y249-F252 HydrophobicContact CG-CG 4.36Å; Y249-F252 HydrophobicContact CG-CZ 4.5Å; Y249-F252 PolarHBondContact O-N 2.61Å; P250-F252 WeakPolarHBondContact O-CD2 3.3Å; P250-F252 PolarHBondContact O-N 2.73Å; F252-V254 WeakPolarHBondContact CB-O 3.14Å; F252-V254 HydrophobicContact CD1-CG1 4.08Å; F252-V254 PolarHBondContact O-N 3.19Å; F252-V254 VanDerWaalsContact O-N 3.08Å; F252-L256 HydrophobicContact CD1-CB 4.02Å; F252-L256 HydrophobicContact CE1-CB 3.89Å; F252-L256 HydrophobicContact CE1-CD2 3.64Å; F252-L256 HydrophobicContact CE1-CG 4.23Å; F252-L256 HydrophobicContact CZ-CD2 4.25Å
253L98.6Very high97Very high0 Ų08.9 Ų8.90%05%0.049CC..SBendtrans-79.523.2168.7-58.7-176.9000112.1Q129 L130 L133 N158 W230 R296Q129-L253 HydrophobicContact CB-CD1 4.07Å; Q129-L253 HydrophobicContact CG-CD1 3.82Å; Q129-L253 HydrophobicContact CG-CD2 4.19Å; L130-L253 HydrophobicContact CB-CD1 4.06Å; L130-L253 HydrophobicContact CD1-CD1 4.26Å; L133-L253 HydrophobicContact CB-CD1 4.41Å; L133-L253 HydrophobicContact CD1-CD2 4.26Å; L133-L253 HydrophobicContact CD2-CD1 4.31Å; L133-L253 HydrophobicContact CD2-CD2 4.22Å; L133-L253 HydrophobicContact CD2-CG 4Å; N158-L253 WeakPolarHBondContact OD1-CA 3.48Å; N158-L253 WeakPolarHBondContact OD1-CB 3.3Å; N158-L253 PolarHBondContact OD1-N 3.27Å; W230-L253 HydrophobicContact CH2-CB 4.19Å; W230-L253 HydrophobicContact CH2-CD2 4.07Å; W230-L253 HydrophobicContact CZ2-CD2 3.96Å; L253-R296 WeakPolarHBondContact O-CD 3.18Å; L253-R296 WeakPolarHBondContact O-CG 3.14Å; L253-R296 PolarHBondContact O-NH1 2.61Å
254V97.8Very high97Very high6 Ų64.8 Ų4.84%0.0364%0.036CC..SBendtrans-147.9166.2-179.869.30000109.4S248 F252 Y260 W292S248-V254 PolarHBondContact OG-O 2.96Å; F252-V254 WeakPolarHBondContact CB-O 3.14Å; F252-V254 HydrophobicContact CD1-CG1 4.08Å; F252-V254 PolarHBondContact O-N 3.19Å; F252-V254 VanDerWaalsContact O-N 3.08Å; V254-Y260 WeakPolarHBondContact CA-OH 3.41Å; V254-Y260 WeakPolarHBondContact CG2-OH 3.14Å; V254-W292 HydrophobicContact CB-CB 4.01Å; V254-W292 HydrophobicContact CG1-CB 3.91Å; V254-W292 HydrophobicContact CG2-CB 3.96Å
255S96.8Very high97Very high0 Ų05.1 Ų5.10%04%0.043CC..  trans-76.9-40.4179.6-177.10000112S247 Y249 D257 D258 F259 Y260S247-S255 WeakPolarHBondContact O-CA 3.3Å; S247-S255 WeakPolarHBondContact O-CB 3.43Å; S247-S255 PolarHBondContact O-OG 3.47Å; Y249-S255 WeakPolarHBondContact CE2-O 3.19Å; S255-D257 PolarHBondContact O-N 2.8Å; S255-D258 WeakPolarHBondContact OG-CA 3.19Å; S255-D258 PolarHBondContact OG-N 3.28Å; S255-D258 VanDerWaalsContact OG-N 3.08Å; S255-F259 PolarHBondContact OG-N 2.95Å; S255-Y260 VanDerWaalsContact CB-CZ 3.49Å; S255-Y260 PolarHBondContact N-OH 3.03Å
256L93.1Very high97Very high17 Ų175.1 Ų5.19%0.0894%0.043CC..SBendtrans59.2-30.2-167.4177.875.8000114V160 G161 Y249 F252 D258 Y320V160-L256 HydrophobicContact CB-CD2 4.47Å; V160-L256 HydrophobicContact CG1-CD1 4.27Å; V160-L256 HydrophobicContact CG1-CD2 3.74Å; G161-L256 VanDerWaalsContact CA-CD1 3.46Å; Y249-L256 HydrophobicContact CD2-CB 4.18Å; Y249-L256 HydrophobicContact CD2-CD2 4.37Å; Y249-L256 HydrophobicContact CE2-CB 3.83Å; Y249-L256 HydrophobicContact CE2-CD2 3.96Å; Y249-L256 HydrophobicContact CE2-CG 4.31Å; F252-L256 HydrophobicContact CD1-CB 4.02Å; F252-L256 HydrophobicContact CE1-CB 3.89Å; F252-L256 HydrophobicContact CE1-CD2 3.64Å; F252-L256 HydrophobicContact CE1-CG 4.23Å; F252-L256 HydrophobicContact CZ-CD2 4.25Å; L256-D258 VanDerWaalsContact C-N 3.27Å; L256-Y320 HydrophobicContact CD1-CE2 4.23Å; L256-Y320 PolarHBondContact O-OH 3.03Å
257D87.3Confident97Very high1 Ų15.2 Ų5.21%0.0054%0.043CC..SBendtrans-72.8-32.3162.7-51.9-25.6000112H214 S216 R225 S247 Y249 S255 Q270 K462H214-D257 PolarHBondContact CE1-O 3.02Å; H214-D257 PolarHBondContact NE2-O 3.21Å; S216-D257 WeakPolarHBondContact OG-CB 3.14Å; S216-D257 PolarHBondContact OG-OD1 3.27Å; R225-D257 IonicContact CZ-OD2 3.73Å; R225-D257 VanDerWaalsContact NH2-CG 3.26Å; R225-D257 IonicContact NH2-OD1 3.63Å; R225-D257 PolarHBondContact NH2-OD1 3.28Å; R225-D257 IonicContact NH2-OD2 3.54Å; R225-D257 PolarHBondContact NH2-OD2 2.89Å; S247-D257 VanDerWaalsContact CB-OD2 3.3Å; S247-D257 WeakPolarHBondContact CB-OD2 3.36Å; S247-D257 PolarHBondContact OG-OD2 2.98Å; Y249-D257 PolarHBondContact OH-OD1 2.94Å; S255-D257 PolarHBondContact O-N 2.8Å; D257-Q270 PolarHBondContact O-OE1 2.93Å; D257-K462 IonicContact OD2-NZ 2.7Å; D257-K462 PolarHBondContact OD2-NZ 3.06Å
258D84.6Confident97Very high1 Ų15.2 Ų5.21%0.0054%0.043CC..  trans52.976.2-161.3-67.5-21000112.8S255 L256 Y260 M268 L269 Q270S255-D258 WeakPolarHBondContact OG-CA 3.19Å; S255-D258 PolarHBondContact OG-N 3.28Å; S255-D258 VanDerWaalsContact OG-N 3.08Å; L256-D258 VanDerWaalsContact C-N 3.27Å; D258-Y260 HydrophobicContact CB-CE2 4.5Å; D258-M268 HydrophobicContact CB-CE 3.88Å; D258-M268 HydrophobicContact CB-SD 3.89Å; D258-L269 CarbonylContact O-C 3.54Å; D258-L269 WeakPolarHBondContact O-CA 3.46Å; D258-Q270 HydrophobicContact CB-CB 3.63Å; D258-Q270 HydrophobicContact CB-CG 4.32Å; D258-Q270 PolarHBondContact O-N 3.42Å
259F98.3Very high97Very high0 Ų05.3 Ų5.30%04%0.043CC..EExtended strand (participates in β ladder)trans-124.6106.5159.6179.4-80.6000109F212 H214 F246 S255 I261 L269 K462 A474F212-F259 AromaticContact CD2-CE2 3.86Å; F212-F259 HydrophobicContact CD2-CE2 3.86Å; F212-F259 HydrophobicContact CD2-CZ 4.1Å; F212-F259 AromaticContact CE2-CE2 3.97Å; F212-F259 HydrophobicContact CE2-CE2 3.97Å; F212-F259 AromaticContact CE2-CZ 3.73Å; F212-F259 HydrophobicContact CE2-CZ 3.73Å; H214-F259 HydrophobicContact CB-CB 4.4Å; H214-F259 HydrophobicContact CB-CD2 4Å; F246-F259 WeakPolarHBondContact CA-O 3.17Å; F246-F259 WeakPolarHBondContact CB-O 3.44Å; S255-F259 PolarHBondContact OG-N 2.95Å; F259-I261 HydrophobicContact CE1-CD1 4.21Å; F259-I261 HydrophobicContact CE1-CG1 4.19Å; F259-L269 HydrophobicContact CB-CD2 4.19Å; F259-L269 HydrophobicContact CD2-CD2 3.35Å; F259-L269 HydrophobicContact CE2-CD2 3.98Å; F259-L269 HydrophobicContact CG-CD2 4Å; F259-K462 HydrophobicContact CB-CB 4.42Å; F259-K462 HydrophobicContact CD1-CB 3.96Å; F259-K462 HydrophobicContact CD1-CG 4.32Å; F259-K462 HydrophobicContact CD2-CB 3.59Å; F259-K462 HydrophobicContact CE1-CB 4.11Å; F259-K462 HydrophobicContact CE2-CB 3.72Å; F259-K462 HydrophobicContact CG-CB 3.73Å; F259-K462 HydrophobicContact CG-CG 4.21Å; F259-K462 HydrophobicContact CZ-CB 3.99Å; F259-A474 HydrophobicContact CE1-CB 3.8Å; F259-A474 HydrophobicContact CZ-CB 3.96Å
260Y98.8Very high96.8Very high2 Ų25.3 Ų5.31%0.0084%0.043CC..EExtended strand (participates in β ladder)trans-124.1136-178.1-72.4-94.2000112.6F246 V254 S255 D258 L262 I267 M268 V295F246-Y260 HydrophobicContact CB-CD1 3.48Å; F246-Y260 VanDerWaalsContact CB-CD1 3.48Å; F246-Y260 HydrophobicContact CB-CE1 3.7Å; F246-Y260 HydrophobicContact CB-CG 3.95Å; F246-Y260 HydrophobicContact CD1-CD1 4.08Å; F246-Y260 AromaticContact CD1-CE1 3.87Å; F246-Y260 HydrophobicContact CD1-CE1 3.87Å; F246-Y260 HydrophobicContact CD2-CD1 4.37Å; F246-Y260 AromaticContact CD2-CE1 3.69Å; F246-Y260 HydrophobicContact CD2-CE1 3.69Å; F246-Y260 HydrophobicContact CE1-CE1 4.43Å; F246-Y260 HydrophobicContact CE2-CE1 4.26Å; F246-Y260 AromaticContact CG-CD1 3.75Å; F246-Y260 HydrophobicContact CG-CD1 3.75Å; F246-Y260 AromaticContact CG-CE1 3.48Å; F246-Y260 HydrophobicContact CG-CE1 3.48Å; F246-Y260 VanDerWaalsContact CG-CE1 3.48Å; V254-Y260 WeakPolarHBondContact CA-OH 3.41Å; V254-Y260 WeakPolarHBondContact CG2-OH 3.14Å; S255-Y260 VanDerWaalsContact CB-CZ 3.49Å; S255-Y260 PolarHBondContact N-OH 3.03Å; D258-Y260 HydrophobicContact CB-CE2 4.5Å; Y260-L262 HydrophobicContact CD1-CD2 3.99Å; Y260-L262 HydrophobicContact CG-CD2 4.26Å; Y260-I267 VanDerWaalsContact O-CA 3.32Å; Y260-I267 WeakPolarHBondContact O-CA 3.4Å; Y260-I267 WeakPolarHBondContact O-CG2 3.44Å; Y260-M268 HydrophobicContact CD2-CE 3.28Å; Y260-M268 HydrophobicContact CD2-SD 4.32Å; Y260-M268 HydrophobicContact CE2-CE 3.44Å; Y260-M268 VanDerWaalsContact CE2-CE 3.44Å; Y260-M268 HydrophobicContact CG-CE 4.28Å; Y260-M268 PolarHBondContact N-O 2.85Å; Y260-M268 PolarHBondContact O-N 2.92Å; Y260-M268 VanDerWaalsContact O-N 3.1Å; Y260-V295 HydrophobicContact CE2-CG1 4.29Å
261I98.9Very high96.7Very high3 Ų35.3 Ų5.32%0.0154%0.043CC..EExtended strand (participates in β ladder)trans-107.3112.2160.5-56.8166.7000106.9V244 S245 F259 I267 A469 F472 T473 A474V244-I261 WeakPolarHBondContact CA-O 3.34Å; S245-I261 PolarHBondContact N-O 3.17Å; S245-I261 PolarHBondContact O-N 3.19Å; F259-I261 HydrophobicContact CE1-CD1 4.21Å; F259-I261 HydrophobicContact CE1-CG1 4.19Å; I261-I267 HydrophobicContact CB-CD1 4.13Å; I261-I267 HydrophobicContact CG1-CD1 3.95Å; I261-I267 HydrophobicContact CG2-CD1 3.96Å; I261-A469 HydrophobicContact CG2-CB 4.37Å; I261-A469 WeakPolarHBondContact CG2-O 3.34Å; I261-F472 HydrophobicContact CG2-CD1 4.12Å; I261-F472 HydrophobicContact CG2-CG 4.48Å; I261-T473 WeakPolarHBondContact CD1-O 3.47Å; I261-A474 HydrophobicContact CD1-CB 4.26Å
262L98.8Very high96.4Very high4 Ų45.5 Ų5.52%0.0214%0.044CC..EExtended strand (participates in β ladder)trans-101.9141.9-175.3-53179.1000110.5T241 V244 Y260 S264 G265 L266 N299T241-L262 HydrophobicContact CG2-CB 4.18Å; V244-L262 HydrophobicContact CB-CD2 4.15Å; V244-L262 HydrophobicContact CG1-CD2 3.46Å; V244-L262 VanDerWaalsContact CG1-CD2 3.46Å; Y260-L262 HydrophobicContact CD1-CD2 3.99Å; Y260-L262 HydrophobicContact CG-CD2 4.26Å; L262-S264 PolarHBondContact O-N 3.07Å; L262-S264 VanDerWaalsContact O-N 3.13Å; L262-G265 PolarHBondContact O-N 3.23Å; L262-L266 HydrophobicContact CB-CB 4.3Å; L262-L266 VanDerWaalsContact CB-O 3.25Å; L262-L266 WeakPolarHBondContact CB-O 3.43Å; L262-L266 HydrophobicContact CD1-CB 3.97Å; L262-L266 PolarHBondContact N-O 3.06Å; L262-N299 HydrophobicContact CD1-CB 3.97Å; L262-N299 HydrophobicContact CD2-CB 3.96Å
263G98.4Very high96.1Very high37 Ų375.4 Ų5.438%0.3814%0.044SC..THydrogen-bonded Turntrans-67.9-9.917900000115.3T241 R243 G265T241-G263 WeakPolarHBondContact OG1-CA 3.42Å; T241-G263 PolarHBondContact OG1-N 3.49Å; R243-G263 PolarHBondContact O-N 2.99Å; G263-G265 PolarHBondContact O-N 3.08Å
264S98.4Very high95.7Very high13 Ų136.3 Ų6.39%0.0915%0.051CC..THydrogen-bonded Turntrans-73.1-5.3169.556.60000113.3L262 A302 K330L262-S264 PolarHBondContact O-N 3.07Å; L262-S264 VanDerWaalsContact O-N 3.13Å; S264-A302 WeakPolarHBondContact CB-O 3.41Å; S264-A302 PolarHBondContact OG-O 2.6Å; S264-K330 WeakPolarHBondContact O-CE 3.48Å; S264-K330 PolarHBondContact O-NZ 2.8Å
265G98.4Very high95.4Very high23 Ų236.5 Ų6.524%0.2375%0.052CC..SBendtrans89.42.7-174.400000113.7L262 G263 L329L262-G265 PolarHBondContact O-N 3.23Å; G263-G265 PolarHBondContact O-N 3.08Å; G265-L329 WeakPolarHBondContact O-CB 3.27Å; G265-L329 PolarHBondContact O-N 3Å
266L98.9Very high95Very high0 Ų08.3 Ų8.30%06%0.059CC..EExtended strand (participates in β ladder)trans-86.6141.4176.9-60.3-176.2000111.1L262 A302 V326 L327 D328L262-L266 HydrophobicContact CB-CB 4.3Å; L262-L266 VanDerWaalsContact CB-O 3.25Å; L262-L266 WeakPolarHBondContact CB-O 3.43Å; L262-L266 HydrophobicContact CD1-CB 3.97Å; L262-L266 PolarHBondContact N-O 3.06Å; L266-A302 HydrophobicContact CD1-CB 3.99Å; L266-V326 HydrophobicContact CB-CG1 4.46Å; L266-V326 HydrophobicContact CD1-CG1 4.12Å; L266-V326 HydrophobicContact CD2-CG1 4.29Å; L266-L327 CarbonylContact C-O 3.42Å; L266-L327 WeakPolarHBondContact CA-O 3.41Å; L266-D328 HydrophobicContact CD2-CB 3.59Å
267I98.9Very high94.9Very high2 Ų210.2 Ų10.21%0.017%0.07CC..EExtended strand (participates in β ladder)trans-108.2129.6163.9-52.3-56.5000107F212 Y260 I261 L269 V326 L327 L329 A469F212-I267 HydrophobicContact CD1-CG1 4.39Å; F212-I267 HydrophobicContact CD2-CG2 3.51Å; F212-I267 HydrophobicContact CE1-CD1 4.21Å; F212-I267 HydrophobicContact CE1-CG1 3.89Å; F212-I267 HydrophobicContact CE2-CB 4.41Å; F212-I267 HydrophobicContact CE2-CD1 4.03Å; F212-I267 HydrophobicContact CE2-CG1 4.07Å; F212-I267 HydrophobicContact CE2-CG2 3.48Å; F212-I267 VanDerWaalsContact CE2-CG2 3.48Å; F212-I267 HydrophobicContact CG-CG2 4.03Å; F212-I267 HydrophobicContact CZ-CB 4.49Å; F212-I267 HydrophobicContact CZ-CD1 3.59Å; F212-I267 HydrophobicContact CZ-CG1 3.69Å; F212-I267 HydrophobicContact CZ-CG2 4.03Å; Y260-I267 VanDerWaalsContact O-CA 3.32Å; Y260-I267 WeakPolarHBondContact O-CA 3.4Å; Y260-I267 WeakPolarHBondContact O-CG2 3.44Å; I261-I267 HydrophobicContact CB-CD1 4.13Å; I261-I267 HydrophobicContact CG1-CD1 3.95Å; I261-I267 HydrophobicContact CG2-CD1 3.96Å; I267-L269 HydrophobicContact CG2-CD2 4.18Å; I267-L269 HydrophobicContact CG2-CG 4.27Å; I267-V326 CarbonylContact O-C 3.49Å; I267-V326 WeakPolarHBondContact O-CA 3.34Å; I267-L327 HydrophobicContact CB-CB 4.18Å; I267-L327 HydrophobicContact CB-CD2 4.45Å; I267-L327 HydrophobicContact CG1-CD2 4.38Å; I267-L327 PolarHBondContact N-O 2.65Å; I267-L327 PolarHBondContact O-N 2.73Å; I267-L329 HydrophobicContact CD1-CD1 3.91Å; I267-L329 HydrophobicContact CD1-CG 4.48Å; I267-L329 HydrophobicContact CG1-CD1 3.85Å; I267-L329 HydrophobicContact CG1-CD2 4.24Å; I267-L329 HydrophobicContact CG1-CG 3.93Å; I267-A469 HydrophobicContact CD1-CB 4.06Å
268M98.7Very high94.9Very high0 Ų014.2 Ų14.20%09%0.088CC..EExtended strand (participates in β ladder)trans-118118.9175.9-170.7-75.6-82.600109.1D258 Y260 V295 W308 Y324 V326D258-M268 HydrophobicContact CB-CE 3.88Å; D258-M268 HydrophobicContact CB-SD 3.89Å; Y260-M268 HydrophobicContact CD2-CE 3.28Å; Y260-M268 HydrophobicContact CD2-SD 4.32Å; Y260-M268 HydrophobicContact CE2-CE 3.44Å; Y260-M268 VanDerWaalsContact CE2-CE 3.44Å; Y260-M268 HydrophobicContact CG-CE 4.28Å; Y260-M268 PolarHBondContact N-O 2.85Å; Y260-M268 PolarHBondContact O-N 2.92Å; Y260-M268 VanDerWaalsContact O-N 3.1Å; M268-V295 HydrophobicContact CE-CG1 3.49Å; M268-V295 VanDerWaalsContact CE-CG1 3.49Å; M268-W308 HydrophobicContact CE-CZ2 4.4Å; M268-W308 HydrophobicContact CG-CZ2 3.82Å; M268-W308 HydrophobicContact SD-CZ2 4.46Å; M268-Y324 HydrophobicContact CE-CD1 4.48Å; M268-Y324 HydrophobicContact SD-CD1 3.84Å; M268-V326 HydrophobicContact CG-CG2 4.4Å
269L98.6Very high95.3Very high1 Ų118.9 Ų18.91%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-114.3159.2171.1-53.2-177000110.2A199 I201 F212 H214 D258 F259 I267 Y324 M325A199-L269 HydrophobicContact CB-CD1 4.4Å; I201-L269 HydrophobicContact CG1-CD1 4.24Å; F212-L269 HydrophobicContact CB-CD1 4.19Å; H214-L269 HydrophobicContact CB-CD2 4.28Å; D258-L269 CarbonylContact O-C 3.54Å; D258-L269 WeakPolarHBondContact O-CA 3.46Å; F259-L269 HydrophobicContact CB-CD2 4.19Å; F259-L269 HydrophobicContact CD2-CD2 3.35Å; F259-L269 HydrophobicContact CE2-CD2 3.98Å; F259-L269 HydrophobicContact CG-CD2 4Å; I267-L269 HydrophobicContact CG2-CD2 4.18Å; I267-L269 HydrophobicContact CG2-CG 4.27Å; L269-Y324 CarbonylContact O-C 3.55Å; L269-Y324 WeakPolarHBondContact O-CA 3.35Å; L269-M325 HydrophobicContact CB-CB 4.29Å; L269-M325 HydrophobicContact CB-CE 3.74Å; L269-M325 HydrophobicContact CB-SD 4.37Å; L269-M325 PolarHBondContact N-O 2.77Å; L269-M325 PolarHBondContact O-N 2.69Å
270Q95.8Very high95.1Very high0 Ų019.9 Ų19.90%012%0.122CC..EExtended strand (participates in β ladder)trans-143.9163.3166.7151-67-7.100114.1H214 D257 D258 T272 Y320 N322 Q323 Y324H214-Q270 PolarHBondContact CD2-O 3.45Å; H214-Q270 PolarHBondContact NE2-O 3.37Å; D257-Q270 PolarHBondContact O-OE1 2.93Å; D258-Q270 HydrophobicContact CB-CB 3.63Å; D258-Q270 HydrophobicContact CB-CG 4.32Å; D258-Q270 PolarHBondContact O-N 3.42Å; Q270-T272 PolarHBondContact NE2-OG1 2.79Å; Q270-Y320 PolarHBondContact NE2-OH 3.24Å; Q270-Y320 PolarHBondContact OE1-OH 3.28Å; Q270-N322 HydrophobicContact CG-CB 3.48Å; Q270-N322 VanDerWaalsContact CG-CB 3.48Å; Q270-N322 VanDerWaalsContact CG-CG 3.41Å; Q270-N322 WeakPolarHBondContact CG-ND2 3.31Å; Q270-N322 PolarHBondContact NE2-ND2 3.08Å; Q270-N322 PolarHBondContact NE2-OD1 3.29Å; Q270-Q323 CarbonylContact C-O 3.58Å; Q270-Q323 WeakPolarHBondContact CA-O 3.47Å; Q270-Q323 WeakPolarHBondContact CB-O 3.42Å; Q270-Y324 HydrophobicContact CB-CD1 3.54Å; Q270-Y324 HydrophobicContact CB-CE1 3.96Å; Q270-Y324 HydrophobicContact CB-CG 4.19Å; Q270-Y324 HydrophobicContact CG-CD1 3.91Å; Q270-Y324 HydrophobicContact CG-CE1 3.88Å; Q270-Y324 HydrophobicContact CG-CG 4.49Å
271T95.4Very high94.6Very high0 Ų020.3 Ų20.30%013%0.125CC..EExtended strand (participates in β ladder)trans-136.6145.5156.773.80000110.9C197 A199 Q323 M325 S369 N371C197-T271 HydrophobicContact CB-CG2 3.6Å; C197-T271 WeakPolarHBondContact O-CG2 3.37Å; A199-T271 HydrophobicContact CB-CG2 3.99Å; T271-Q323 PolarHBondContact N-O 3Å; T271-Q323 PolarHBondContact O-N 3.25Å; T271-M325 HydrophobicContact CG2-CE 4.41Å; T271-S369 WeakPolarHBondContact CG2-OG 3.36Å; T271-S369 PolarHBondContact OG1-OG 2.88Å; T271-N371 PolarHBondContact OG1-N 3.35Å
272T92.3Very high94.3Very high4 Ų426.9 Ų26.93%0.02515%0.153CC..EExtended strand (participates in β ladder)trans-78.3127.3-173-45.40000111.8Q270 Y320 N321 N322 N371Q270-T272 PolarHBondContact NE2-OG1 2.79Å; T272-Y320 HydrophobicContact CG2-CD2 4.44Å; T272-Y320 HydrophobicContact CG2-CE2 4.38Å; T272-N321 WeakPolarHBondContact CG2-O 3.45Å; T272-N322 VanDerWaalsContact CA-OD1 3.27Å; T272-N322 WeakPolarHBondContact CA-OD1 3.02Å; T272-N322 WeakPolarHBondContact CG2-OD1 3.2Å; T272-N371 PolarHBondContact N-ND2 2.9Å; T272-N371 VanDerWaalsContact N-ND2 3.14Å; T272-N371 WeakPolarHBondContact O-CA 3.38Å; T272-N371 WeakPolarHBondContact O-CB 3.33Å; T272-N371 VanDerWaalsContact O-CG 3.3Å; T272-N371 PolarHBondContact O-ND2 2.92Å
273N91.4Very high94.1Very high0 Ų031.8 Ų31.80%018%0.176CC..PPolyproline II helixtrans-94.1144.9171.3-69.1-33.2000109.9N321 I372 P373N273-N321 PolarHBondContact N-O 2.97Å; N273-I372 VanDerWaalsContact OD1-C 3.3Å; N273-I372 PolarHBondContact OD1-N 3.18Å; N273-P373 HydrophobicContact CB-CG 3.93Å
274S89.6Confident94.1Very high19 Ų1930.7 Ų30.713%0.13316%0.162CC..PPolyproline II helixtrans-83.6149.6171.8-59.90000110.7Y384S274-Y384 PolarHBondContact N-OH 3.07Å; S274-Y384 WeakPolarHBondContact O-CE2 3.35Å
275V91.1Very high94Very high10 Ų1033.5 Ų33.56%0.06118%0.178CC..  trans-113.1101.8168.7-177.50000108N277 L280 L281 N321 I349V275-N277 VanDerWaalsContact C-N 3.31Å; V275-N277 HydrophobicContact CG1-CB 4.41Å; V275-L280 HydrophobicContact CG1-CB 4.38Å; V275-L280 HydrophobicContact CG1-CD2 4.04Å; V275-L280 HydrophobicContact CG1-CG 4.49Å; V275-L281 HydrophobicContact CB-CD2 4.06Å; V275-L281 HydrophobicContact CB-CG 4.21Å; V275-L281 HydrophobicContact CG1-CD2 4.22Å; V275-L281 HydrophobicContact CG1-CG 4.02Å; V275-N321 HydrophobicContact CG2-CB 3.89Å; V275-I349 HydrophobicContact CG2-CB 4.45Å; V275-I349 HydrophobicContact CG2-CG2 4.04Å
276F89.9Confident94Very high37 Ų3733.3 Ų33.316%0.16217%0.173CC..  trans-80.4-15.6178.8-54.7-59.1000112.8E278 S382 Y384 Y387F276-E278 PolarHBondContact O-N 2.92Å; F276-S382 WeakPolarHBondContact CA-O 3.39Å; F276-S382 WeakPolarHBondContact CB-O 3.32Å; F276-S382 PolarHBondContact N-O 3.1Å; F276-Y384 HydrophobicContact CD2-CD1 4.47Å; F276-Y384 HydrophobicContact CD2-CD2 4.04Å; F276-Y384 HydrophobicContact CD2-CE2 4.18Å; F276-Y384 HydrophobicContact CD2-CG 4.18Å; F276-Y384 AromaticContact CE2-CD1 3.72Å; F276-Y384 HydrophobicContact CE2-CD1 3.72Å; F276-Y384 AromaticContact CE2-CD2 3.95Å; F276-Y384 HydrophobicContact CE2-CD2 3.95Å; F276-Y384 AromaticContact CE2-CE1 3.62Å; F276-Y384 HydrophobicContact CE2-CE1 3.62Å; F276-Y384 AromaticContact CE2-CE2 3.84Å; F276-Y384 HydrophobicContact CE2-CE2 3.84Å; F276-Y384 AromaticContact CE2-CG 3.88Å; F276-Y384 HydrophobicContact CE2-CG 3.88Å; F276-Y384 AromaticContact CE2-CZ 3.67Å; F276-Y384 HydrophobicContact CZ-CE1 4.25Å; F276-Y387 AromaticContact CD1-CD2 3.88Å; F276-Y387 HydrophobicContact CD1-CD2 3.88Å; F276-Y387 AromaticContact CD1-CE2 3.95Å; F276-Y387 HydrophobicContact CD1-CE2 3.95Å; F276-Y387 AromaticContact CD2-CD2 3.94Å; F276-Y387 HydrophobicContact CD2-CD2 3.94Å; F276-Y387 AromaticContact CD2-CG 3.99Å; F276-Y387 HydrophobicContact CD2-CG 3.99Å; F276-Y387 AromaticContact CE1-CD2 3.98Å; F276-Y387 HydrophobicContact CE1-CD2 3.98Å; F276-Y387 AromaticContact CE1-CE2 3.77Å; F276-Y387 HydrophobicContact CE1-CE2 3.77Å; F276-Y387 HydrophobicContact CE2-CD1 4.21Å; F276-Y387 HydrophobicContact CE2-CD2 4.01Å; F276-Y387 HydrophobicContact CE2-CE2 4.49Å; F276-Y387 AromaticContact CE2-CG 3.85Å; F276-Y387 HydrophobicContact CE2-CG 3.85Å; F276-Y387 AromaticContact CG-CD2 3.86Å; F276-Y387 HydrophobicContact CG-CD2 3.86Å; F276-Y387 HydrophobicContact CG-CE2 4.41Å; F276-Y387 HydrophobicContact CG-CG 4.39Å; F276-Y387 HydrophobicContact CZ-CD1 4.3Å; F276-Y387 HydrophobicContact CZ-CD2 4.03Å; F276-Y387 HydrophobicContact CZ-CE1 4.34Å; F276-Y387 HydrophobicContact CZ-CE2 4.05Å; F276-Y387 HydrophobicContact CZ-CG 4.16Å
277N90.6Very high94Very high57 Ų5738.5 Ų38.531%0.30520%0.197SC..  trans-78.296175.9-173.1-17.2000111.1V275 T279 L280 L281 L381 S382V275-N277 VanDerWaalsContact C-N 3.31Å; V275-N277 HydrophobicContact CG1-CB 4.41Å; N277-T279 VanDerWaalsContact C-N 3.29Å; N277-T279 PolarHBondContact O-N 3.24Å; N277-T279 PolarHBondContact OD1-N 3.07Å; N277-L280 HydrophobicContact CB-CB 3.97Å; N277-L280 WeakPolarHBondContact O-CB 3.49Å; N277-L280 PolarHBondContact O-N 2.73Å; N277-L280 VanDerWaalsContact O-N 3.1Å; N277-L280 PolarHBondContact OD1-N 2.76Å; N277-L281 PolarHBondContact O-N 2.92Å; N277-L381 VanDerWaalsContact CB-O 3.28Å; N277-L381 WeakPolarHBondContact CB-O 3.44Å; N277-L381 PolarHBondContact ND2-O 2.63Å; N277-S382 PolarHBondContact N-O 3.26Å; N277-S382 VanDerWaalsContact N-O 3.14Å
278E88Confident94Very high85 Ų8538.7 Ų38.740%0.39720%0.199SC..Hα-helixtrans-62.9-32.7-179.3-64-172.3172.700113.5Y190 F276 L280 L281 K282Y190-E278 PolarHBondContact OH-OE1 3.09Å; F276-E278 PolarHBondContact O-N 2.92Å; E278-L280 PolarHBondContact O-N 2.93Å; E278-L281 PolarHBondContact O-N 3.06Å; E278-K282 WeakPolarHBondContact O-CG 3.45Å; E278-K282 PolarHBondContact O-N 2.78Å; E278-K282 VanDerWaalsContact O-N 3.15Å
279T92.2Very high94Very high99 Ų9938.7 Ų38.761%0.60720%0.199SC*.Hα-helixtrans-64.2-33.3176-62.50000111.2N277N277-T279 VanDerWaalsContact C-N 3.29Å; N277-T279 PolarHBondContact O-N 3.24Å; N277-T279 PolarHBondContact OD1-N 3.07Å
280L93.1Very high94Very high21 Ų2138.8 Ų38.811%0.1120%0.199CC..Hα-helixtrans-70.9-42.2175.2-171.361.6000111.8V275 N277 E278 K282 Q283 I349 P350V275-L280 HydrophobicContact CG1-CB 4.38Å; V275-L280 HydrophobicContact CG1-CD2 4.04Å; V275-L280 HydrophobicContact CG1-CG 4.49Å; N277-L280 HydrophobicContact CB-CB 3.97Å; N277-L280 WeakPolarHBondContact O-CB 3.49Å; N277-L280 PolarHBondContact O-N 2.73Å; N277-L280 VanDerWaalsContact O-N 3.1Å; N277-L280 PolarHBondContact OD1-N 2.76Å; E278-L280 PolarHBondContact O-N 2.93Å; L280-K282 PolarHBondContact O-N 3.31Å; L280-Q283 VanDerWaalsContact O-CB 3.3Å; L280-Q283 WeakPolarHBondContact O-CB 3.5Å; L280-Q283 WeakPolarHBondContact O-CG 3.19Å; L280-Q283 PolarHBondContact O-N 3.14Å; L280-I349 HydrophobicContact CD2-CB 4.01Å; L280-I349 HydrophobicContact CD2-CD1 3.73Å; L280-I349 HydrophobicContact CD2-CG1 4.06Å; L280-P350 HydrophobicContact CD1-CB 4.09Å; L280-P350 WeakPolarHBondContact CD1-O 3.26Å; L280-P350 HydrophobicContact CG-CB 3.89Å; L280-P350 HydrophobicContact CG-CG 3.95Å; L280-P350 WeakPolarHBondContact O-CB 3.33Å
281L89.8Confident94.1Very high12 Ų1238.8 Ų38.86%0.06320%0.199CC..Hα-helixtrans-60-31.7175.8-75.9175.4000112.7D165 P168 A169 V275 N277 E278 Q283 V284 P350D165-L281 HydrophobicContact CB-CD2 4.37Å; P168-L281 HydrophobicContact CB-CD1 4.23Å; A169-L281 VanDerWaalsContact CB-O 3.28Å; A169-L281 WeakPolarHBondContact CB-O 3.41Å; V275-L281 HydrophobicContact CB-CD2 4.06Å; V275-L281 HydrophobicContact CB-CG 4.21Å; V275-L281 HydrophobicContact CG1-CD2 4.22Å; V275-L281 HydrophobicContact CG1-CG 4.02Å; N277-L281 PolarHBondContact O-N 2.92Å; E278-L281 PolarHBondContact O-N 3.06Å; L281-Q283 PolarHBondContact O-N 2.8Å; L281-Q283 VanDerWaalsContact O-N 3.09Å; L281-V284 VanDerWaalsContact O-CG2 3.27Å; L281-V284 WeakPolarHBondContact O-CG2 3.3Å; L281-V284 PolarHBondContact O-N 2.77Å; L281-P350 HydrophobicContact CD2-CG 4.31Å
282K91.9Very high94.2Very high140 Ų14039.4 Ų39.461%0.60920%0.201SC*.THydrogen-bonded Turntrans-66.9-5.5176-70.5179.1-177.2-175.80114.4E278 L280 V284E278-K282 WeakPolarHBondContact O-CG 3.45Å; E278-K282 PolarHBondContact O-N 2.78Å; E278-K282 VanDerWaalsContact O-N 3.15Å; L280-K282 PolarHBondContact O-N 3.31Å; K282-V284 VanDerWaalsContact C-N 3.32Å
283Q95.7Very high94.5Very high107 Ų10739.5 Ų39.550%0.520%0.202SC..THydrogen-bonded Turntrans-84.4-4.1174.8-55.6-60.7-43.300113.4L280 L281 V285 P350 T351L280-Q283 VanDerWaalsContact O-CB 3.3Å; L280-Q283 WeakPolarHBondContact O-CB 3.5Å; L280-Q283 WeakPolarHBondContact O-CG 3.19Å; L280-Q283 PolarHBondContact O-N 3.14Å; L281-Q283 PolarHBondContact O-N 2.8Å; L281-Q283 VanDerWaalsContact O-N 3.09Å; Q283-V285 PolarHBondContact O-N 2.86Å; Q283-P350 HydrophobicContact CB-CB 4.38Å; Q283-T351 HydrophobicContact CB-CG2 3.78Å; Q283-T351 HydrophobicContact CG-CG2 4.07Å
284V96.8Very high94.9Very high15 Ų1539.5 Ų39.59%0.09120%0.202CC..  trans-69123.6178174.50000110.2F99 L166 A169 L281 K282 T319 P350F99-V284 HydrophobicContact CE2-CG1 4.26Å; F99-V284 HydrophobicContact CZ-CG1 3.8Å; L166-V284 HydrophobicContact CD1-CG1 3.79Å; A169-V284 HydrophobicContact CB-CB 3.92Å; A169-V284 HydrophobicContact CB-CG1 4.44Å; A169-V284 HydrophobicContact CB-CG2 4.09Å; L281-V284 VanDerWaalsContact O-CG2 3.27Å; L281-V284 WeakPolarHBondContact O-CG2 3.3Å; L281-V284 PolarHBondContact O-N 2.77Å; K282-V284 VanDerWaalsContact C-N 3.32Å; V284-T319 HydrophobicContact CG1-CG2 3.7Å; V284-T319 HydrophobicContact CG2-CG2 4.21Å; V284-P350 HydrophobicContact CG2-CG 4.35Å
285V97.8Very high95.3Very high71 Ų7138.7 Ų38.743%0.4320%0.196SC..  trans-132.1151.3-177.9-64.10000111.6F99 Q283 E287 S288F99-V285 WeakPolarHBondContact CZ-O 3.43Å; Q283-V285 PolarHBondContact O-N 2.86Å; V285-E287 PolarHBondContact O-N 3.18Å; V285-S288 PolarHBondContact O-OG 3.17Å
286P98.1Very high95.7Very high19 Ų1938.7 Ų38.712%0.12320%0.195CC..SBendtrans-69.7-18-177.727.5-33.2000113.4F99 K102 Q103 S288F99-P286 HydrophobicContact CD1-CB 4.38Å; F99-P286 HydrophobicContact CD2-CB 4.27Å; F99-P286 HydrophobicContact CD2-CG 4.5Å; F99-P286 HydrophobicContact CE1-CB 4.16Å; F99-P286 HydrophobicContact CE2-CB 4.1Å; F99-P286 HydrophobicContact CE2-CG 4.31Å; F99-P286 HydrophobicContact CG-CB 4.44Å; F99-P286 HydrophobicContact CZ-CB 4.04Å; F99-P286 VanDerWaalsContact CZ-N 3.32Å; K102-P286 HydrophobicContact CB-CB 3.79Å; K102-P286 HydrophobicContact CB-CG 4.11Å; K102-P286 HydrophobicContact CD-CG 4.38Å; Q103-P286 WeakPolarHBondContact CA-O 3.34Å; Q103-P286 HydrophobicContact CB-CB 4.14Å; Q103-P286 WeakPolarHBondContact CG-O 3.39Å; P286-S288 PolarHBondContact O-N 3.5Å
287E98.4Very high96.1Very high110 Ų11037 Ų3751%0.51419%0.187SC..SBendtrans-77.252.6173.9-61.278.4-170.900112.2W106 V285W106-E287 HydrophobicContact CD2-CB 4.26Å; W106-E287 HydrophobicContact CG-CB 4.25Å; W106-E287 HydrophobicContact CG-CG 4.19Å; W106-E287 HydrophobicContact CZ2-CB 4.46Å; V285-E287 PolarHBondContact O-N 3.18Å
288S98.3Very high96.5Very high5 Ų534.3 Ų34.34%0.03517%0.173CC..SBendtrans-150.7169.7-179.565.70000110.7Q103 W106 V285 P286 S317Q103-S288 WeakPolarHBondContact CG-O 3.4Å; Q103-S288 PolarHBondContact NE2-O 2.94Å; W106-S288 VanDerWaalsContact CZ3-O 3.3Å; W106-S288 WeakPolarHBondContact CZ3-O 3.24Å; V285-S288 PolarHBondContact O-OG 3.17Å; P286-S288 PolarHBondContact O-N 3.5Å; S288-S317 WeakPolarHBondContact OG-CA 3.42Å; S288-S317 WeakPolarHBondContact OG-CB 3.24Å
289L98.7Very high97Very high1 Ų130.4 Ų30.41%0.00516%0.155CC..BIsolated β-bridgetrans-102.7129.4174-69.1178.9000110.3W106 T107 F119 W120 Q293 R294 I297 C315 S317W106-L289 HydrophobicContact CZ3-CD2 3.98Å; W106-L289 HydrophobicContact CZ3-CG 4.05Å; T107-L289 HydrophobicContact CG2-CD2 3.72Å; T107-L289 WeakPolarHBondContact OG1-CD2 3.3Å; F119-L289 HydrophobicContact CE1-CD1 3.55Å; F119-L289 HydrophobicContact CZ-CD1 3.58Å; W120-L289 HydrophobicContact CH2-CD1 4.14Å; W120-L289 HydrophobicContact CH2-CD2 4.37Å; W120-L289 HydrophobicContact CH2-CG 4.28Å; W120-L289 HydrophobicContact CZ3-CD1 4.11Å; W120-L289 HydrophobicContact CZ3-CD2 4.15Å; W120-L289 HydrophobicContact CZ3-CG 4.42Å; L289-Q293 HydrophobicContact CB-CB 4.46Å; L289-R294 HydrophobicContact CB-CG 3.62Å; L289-R294 HydrophobicContact CD1-CG 4.35Å; L289-R294 WeakPolarHBondContact O-CD 3.17Å; L289-R294 PolarHBondContact O-NE 2.93Å; L289-I297 HydrophobicContact CD1-CD1 4.03Å; L289-C315 HydrophobicContact CB-CB 4.12Å; L289-C315 HydrophobicContact CD1-CB 4.11Å; L289-C315 HydrophobicContact CG-CB 3.93Å; L289-C315 PolarHBondContact N-O 2.79Å; L289-S317 WeakPolarHBondContact O-CB 3.44Å; L289-S317 PolarHBondContact O-OG 2.82Å
290F98.7Very high97.3Very high3 Ų326.2 Ų26.21%0.01313%0.128CC..  trans-57.4152.8172.7-74.9-32000111.6F99 M100 Q103 A159 D162 L166 W292 Q293 R294F99-F290 HydrophobicContact CD1-CE1 4.33Å; F99-F290 HydrophobicContact CD1-CZ 4Å; F99-F290 AromaticContact CE1-CE1 3.76Å; F99-F290 HydrophobicContact CE1-CE1 3.76Å; F99-F290 AromaticContact CE1-CZ 3.88Å; F99-F290 HydrophobicContact CE1-CZ 3.88Å; M100-F290 HydrophobicContact CG-CE2 4.04Å; M100-F290 HydrophobicContact CG-CZ 4.06Å; Q103-F290 HydrophobicContact CB-CZ 4.44Å; Q103-F290 HydrophobicContact CG-CD2 4.46Å; Q103-F290 HydrophobicContact CG-CE1 4.34Å; Q103-F290 HydrophobicContact CG-CE2 4.18Å; Q103-F290 HydrophobicContact CG-CZ 4.12Å; A159-F290 HydrophobicContact CB-CD2 4.44Å; A159-F290 HydrophobicContact CB-CE2 4.36Å; D162-F290 HydrophobicContact CB-CB 4.43Å; D162-F290 HydrophobicContact CB-CD1 3.91Å; D162-F290 HydrophobicContact CB-CE1 4.34Å; D162-F290 HydrophobicContact CB-CG 4.13Å; D162-F290 WeakPolarHBondContact OD1-CA 3.46Å; D162-F290 WeakPolarHBondContact OD1-CB 3.14Å; L166-F290 HydrophobicContact CD2-CE1 4.33Å; L166-F290 HydrophobicContact CD2-CZ 4.15Å; F290-W292 VanDerWaalsContact C-N 3.28Å; F290-W292 AromaticContact CD2-NE1 3.95Å; F290-W292 PolarHBondContact O-N 2.83Å; F290-Q293 HydrophobicContact CB-CG 4.43Å; F290-Q293 WeakPolarHBondContact O-CB 3.3Å; F290-Q293 PolarHBondContact O-N 3.03Å; F290-Q293 VanDerWaalsContact O-N 3.07Å; F290-R294 PolarHBondContact O-N 3.47Å; F290-R294 VanDerWaalsContact O-N 3.12Å
291A98.3Very high97.6Very high0 Ų026.5 Ų26.50%013%0.129CC..Hα-helixtrans-58.1-41.2-176.700000111.7D162 Q293 R294 V295 Y320D162-A291 WeakPolarHBondContact OD1-CB 2.98Å; D162-A291 PolarHBondContact OD1-N 2.79Å; A291-Q293 PolarHBondContact O-N 2.9Å; A291-R294 PolarHBondContact O-N 3.14Å; A291-R294 VanDerWaalsContact O-N 3.14Å; A291-V295 WeakPolarHBondContact O-CB 3.16Å; A291-V295 WeakPolarHBondContact O-CG2 3.42Å; A291-V295 PolarHBondContact O-N 2.79Å; A291-Y320 HydrophobicContact CB-CD1 3.94Å; A291-Y320 HydrophobicContact CB-CG 4.35Å
292W98.5Very high98Very high12 Ų1225.9 Ų25.95%0.04513%0.126CC..Hα-helixtrans-58.9-36.1178.679.2-95.2000112.6I126 L130 N158 V254 F290 R296I126-W292 HydrophobicContact CG2-CE3 4.35Å; I126-W292 HydrophobicContact CG2-CH2 3.86Å; I126-W292 HydrophobicContact CG2-CZ3 3.4Å; L130-W292 HydrophobicContact CD2-CH2 4.02Å; L130-W292 HydrophobicContact CD2-CZ2 4.12Å; N158-W292 HydrophobicContact CB-CD2 4.16Å; N158-W292 HydrophobicContact CB-CZ2 4.21Å; N158-W292 VanDerWaalsContact O-CG 3.3Å; V254-W292 HydrophobicContact CB-CB 4.01Å; V254-W292 HydrophobicContact CG1-CB 3.91Å; V254-W292 HydrophobicContact CG2-CB 3.96Å; F290-W292 VanDerWaalsContact C-N 3.28Å; F290-W292 AromaticContact CD2-NE1 3.95Å; F290-W292 PolarHBondContact O-N 2.83Å; W292-R296 HydrophobicContact CE3-CG 4.49Å; W292-R296 WeakPolarHBondContact O-CB 3.32Å; W292-R296 VanDerWaalsContact O-CG 3.22Å; W292-R296 WeakPolarHBondContact O-CG 3.39Å; W292-R296 PolarHBondContact O-N 2.88Å; W292-R296 VanDerWaalsContact O-N 3.16Å
293Q98.8Very high98.3Very high7 Ų722.2 Ų22.23%0.03311%0.113CC..Hα-helixtrans-68.4-49.4176.7-59.7171.9-49.600109.6L289 F290 A291 V295 R296 I297L289-Q293 HydrophobicContact CB-CB 4.46Å; F290-Q293 HydrophobicContact CB-CG 4.43Å; F290-Q293 WeakPolarHBondContact O-CB 3.3Å; F290-Q293 PolarHBondContact O-N 3.03Å; F290-Q293 VanDerWaalsContact O-N 3.07Å; A291-Q293 PolarHBondContact O-N 2.9Å; Q293-V295 PolarHBondContact O-N 3.29Å; Q293-R296 PolarHBondContact O-N 3.47Å; Q293-I297 VanDerWaalsContact O-CG1 3.28Å; Q293-I297 WeakPolarHBondContact O-CG1 3.17Å; Q293-I297 PolarHBondContact O-N 3.47Å
294R98.8Very high98.5Very high0 Ų018.6 Ų18.60%010%0.1CC..Hα-helixtrans-65.5-40-178-66.4-176.2-69.1117.7-1.5112.7L289 F290 A291 R296 I297 A298 F312 K314 N316 S317 Q348L289-R294 HydrophobicContact CB-CG 3.62Å; L289-R294 HydrophobicContact CD1-CG 4.35Å; L289-R294 WeakPolarHBondContact O-CD 3.17Å; L289-R294 PolarHBondContact O-NE 2.93Å; F290-R294 PolarHBondContact O-N 3.47Å; F290-R294 VanDerWaalsContact O-N 3.12Å; A291-R294 PolarHBondContact O-N 3.14Å; A291-R294 VanDerWaalsContact O-N 3.14Å; R294-R296 VanDerWaalsContact C-N 3.34Å; R294-I297 PolarHBondContact O-N 2.9Å; R294-A298 VanDerWaalsContact O-CB 3.3Å; R294-A298 WeakPolarHBondContact O-CB 3.34Å; R294-A298 PolarHBondContact O-N 2.99Å; R294-F312 HydrophobicContact CB-CD2 3.76Å; R294-F312 HydrophobicContact CB-CE2 3.92Å; R294-F312 PolarHBondContact NH1-O 3.49Å; R294-K314 WeakPolarHBondContact CD-O 3.45Å; R294-N316 PolarHBondContact NH2-OD1 3.22Å; R294-S317 PolarHBondContact NH2-OG 2.89Å; R294-Q348 VanDerWaalsContact NH2-CD 3.32Å
295V98.8Very high98.5Very high1 Ų118 Ų181%0.00610%0.096CC..Hα-helixtrans-58-48.1172.1164.70000110.2Y260 M268 A291 Q293 I297 A298 N299 W308 F312 Y324Y260-V295 HydrophobicContact CE2-CG1 4.29Å; M268-V295 HydrophobicContact CE-CG1 3.49Å; M268-V295 VanDerWaalsContact CE-CG1 3.49Å; A291-V295 WeakPolarHBondContact O-CB 3.16Å; A291-V295 WeakPolarHBondContact O-CG2 3.42Å; A291-V295 PolarHBondContact O-N 2.79Å; Q293-V295 PolarHBondContact O-N 3.29Å; V295-I297 PolarHBondContact O-N 3.39Å; V295-A298 PolarHBondContact O-N 3.38Å; V295-N299 VanDerWaalsContact O-CB 3.3Å; V295-N299 WeakPolarHBondContact O-CB 3.14Å; V295-N299 PolarHBondContact O-N 2.96Å; V295-N299 PolarHBondContact O-OD1 3.41Å; V295-W308 HydrophobicContact CG2-CZ2 4.46Å; V295-F312 HydrophobicContact CG2-CD2 4.21Å; V295-F312 HydrophobicContact CG2-CE2 3.82Å; V295-Y324 HydrophobicContact CG2-CE1 3.67Å
296R98.6Very high98.6Very high11 Ų1119.3 Ų19.34%0.04210%0.096CC..Hα-helixtrans-63.9-41.5-180-76.8-66.1-54.1-76.8-3.7112.4I126 W230 L253 W292 Q293 R294 M300I126-R296 HydrophobicContact CD1-CB 3.44Å; I126-R296 VanDerWaalsContact CD1-CB 3.44Å; I126-R296 HydrophobicContact CG1-CB 3.98Å; I126-R296 HydrophobicContact CG2-CB 4.33Å; W230-R296 VanDerWaalsContact CZ3-NH1 3.29Å; L253-R296 WeakPolarHBondContact O-CD 3.18Å; L253-R296 WeakPolarHBondContact O-CG 3.14Å; L253-R296 PolarHBondContact O-NH1 2.61Å; W292-R296 HydrophobicContact CE3-CG 4.49Å; W292-R296 WeakPolarHBondContact O-CB 3.32Å; W292-R296 VanDerWaalsContact O-CG 3.22Å; W292-R296 WeakPolarHBondContact O-CG 3.39Å; W292-R296 PolarHBondContact O-N 2.88Å; W292-R296 VanDerWaalsContact O-N 3.16Å; Q293-R296 PolarHBondContact O-N 3.47Å; R294-R296 VanDerWaalsContact C-N 3.34Å; R296-M300 WeakPolarHBondContact O-CG 3.28Å; R296-M300 PolarHBondContact O-N 3.15Å
297I98.8Very high98.6Very high1 Ų120.2 Ų20.21%0.00510%0.102CC..Hα-helixtrans-63.6-50.2176-63.7165.6000110.1F119 H122 A123 I126 L289 Q293 R294 V295 N299 M300 M301 T311F119-I297 HydrophobicContact CD2-CG2 3.59Å; F119-I297 HydrophobicContact CE1-CD1 4.41Å; F119-I297 HydrophobicContact CE2-CB 4.38Å; F119-I297 HydrophobicContact CE2-CD1 4.01Å; F119-I297 HydrophobicContact CE2-CG2 3.73Å; F119-I297 HydrophobicContact CG-CG2 4.46Å; F119-I297 HydrophobicContact CZ-CD1 3.95Å; H122-I297 HydrophobicContact CB-CG1 4.44Å; H122-I297 HydrophobicContact CB-CG2 4Å; A123-I297 HydrophobicContact CB-CD1 3.84Å; I126-I297 HydrophobicContact CD1-CB 4.24Å; I126-I297 HydrophobicContact CD1-CD1 4.48Å; I126-I297 HydrophobicContact CD1-CG1 3.36Å; L289-I297 HydrophobicContact CD1-CD1 4.03Å; Q293-I297 VanDerWaalsContact O-CG1 3.28Å; Q293-I297 WeakPolarHBondContact O-CG1 3.17Å; Q293-I297 PolarHBondContact O-N 3.47Å; R294-I297 PolarHBondContact O-N 2.9Å; V295-I297 PolarHBondContact O-N 3.39Å; I297-N299 VanDerWaalsContact C-N 3.33Å; I297-N299 PolarHBondContact O-N 3.38Å; I297-M300 PolarHBondContact O-N 2.73Å; I297-M300 VanDerWaalsContact O-N 3.12Å; I297-M301 HydrophobicContact CG2-CG 4.27Å; I297-M301 HydrophobicContact CG2-SD 3.46Å; I297-M301 WeakPolarHBondContact CG2-SD 3.29Å; I297-M301 WeakPolarHBondContact O-CG 3.4Å; I297-M301 PolarHBondContact O-N 3.19Å; I297-T311 HydrophobicContact CG2-CG2 3.88Å
298A98.9Very high98.6Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-60.7-40.9179.600000112.3R294 V295 M300 M301 A302 W308 T311 F312R294-A298 VanDerWaalsContact O-CB 3.3Å; R294-A298 WeakPolarHBondContact O-CB 3.34Å; R294-A298 PolarHBondContact O-N 2.99Å; V295-A298 PolarHBondContact O-N 3.38Å; A298-M300 VanDerWaalsContact C-N 3.28Å; A298-M300 PolarHBondContact O-N 3.46Å; A298-M301 PolarHBondContact O-N 3.33Å; A298-A302 WeakPolarHBondContact O-CB 3.4Å; A298-A302 PolarHBondContact O-N 3.39Å; A298-W308 HydrophobicContact CB-CD2 4.04Å; A298-W308 HydrophobicContact CB-CG 4.02Å; A298-W308 HydrophobicContact CB-CZ2 4.32Å; A298-T311 HydrophobicContact CB-CG2 4.16Å; A298-F312 HydrophobicContact CB-CB 4.07Å
299N98.8Very high98.7Very high3 Ų314.8 Ų14.82%0.0168%0.076CC..Hα-helixtrans-61.9-34176.2-74.4-4.8000112.9T241 L262 V295 I297 W308T241-N299 VanDerWaalsContact CG2-O 3.3Å; T241-N299 WeakPolarHBondContact CG2-O 3.09Å; L262-N299 HydrophobicContact CD1-CB 3.97Å; L262-N299 HydrophobicContact CD2-CB 3.96Å; V295-N299 VanDerWaalsContact O-CB 3.3Å; V295-N299 WeakPolarHBondContact O-CB 3.14Å; V295-N299 PolarHBondContact O-N 2.96Å; V295-N299 PolarHBondContact O-OD1 3.41Å; I297-N299 VanDerWaalsContact C-N 3.33Å; I297-N299 PolarHBondContact O-N 3.38Å; N299-W308 PolarHBondContact OD1-NE1 2.97Å
300M98.6Very high98.7Very high11 Ų1118.4 Ų18.45%0.0549%0.093CC..Hα-helixtrans-78-39.3178.2-69.617971.300112.5Y125 I126 K240 T241 R296 I297 A298Y125-M300 HydrophobicContact CD2-CE 4.04Å; I126-M300 HydrophobicContact CD1-SD 4.41Å; I126-M300 HydrophobicContact CG1-SD 4.25Å; K240-M300 PolarHBondContact N-O 3.13Å; T241-M300 PolarHBondContact N-O 3.49Å; T241-M300 VanDerWaalsContact N-O 3.11Å; T241-M300 WeakPolarHBondContact O-CA 3.22Å; R296-M300 WeakPolarHBondContact O-CG 3.28Å; R296-M300 PolarHBondContact O-N 3.15Å; I297-M300 PolarHBondContact O-N 2.73Å; I297-M300 VanDerWaalsContact O-N 3.12Å; A298-M300 VanDerWaalsContact C-N 3.28Å; A298-M300 PolarHBondContact O-N 3.46Å
301M98.7Very high98.7Very high27 Ų2719.1 Ų19.113%0.13310%0.097CC..Hα-helixtrans-94-18.4-169-64.5-178.273.900114.8P118 H122 D238 K240 I297 A298 T311P118-M301 HydrophobicContact CB-CE 3.76Å; H122-M301 HydrophobicContact CB-CG 4.32Å; H122-M301 HydrophobicContact CB-SD 4Å; H122-M301 VanDerWaalsContact CD2-CG 3.48Å; H122-M301 WeakPolarHBondContact CD2-CG 3.48Å; D238-M301 HydrophobicContact CB-CE 4.41Å; K240-M301 WeakPolarHBondContact CG-O 3.05Å; I297-M301 HydrophobicContact CG2-CG 4.27Å; I297-M301 HydrophobicContact CG2-SD 3.46Å; I297-M301 WeakPolarHBondContact CG2-SD 3.29Å; I297-M301 WeakPolarHBondContact O-CG 3.4Å; I297-M301 PolarHBondContact O-N 3.19Å; A298-M301 PolarHBondContact O-N 3.33Å; M301-T311 HydrophobicContact CB-CG2 4.34Å; M301-T311 HydrophobicContact SD-CG2 4.07Å
302A98.7Very high98.7Very high0 Ų019.1 Ų19.10%010%0.097CC..  trans-91.5137-172.700000113.5S264 L266 A298 W308S264-A302 WeakPolarHBondContact CB-O 3.41Å; S264-A302 PolarHBondContact OG-O 2.6Å; L266-A302 HydrophobicContact CD1-CB 3.99Å; A298-A302 WeakPolarHBondContact O-CB 3.4Å; A298-A302 PolarHBondContact O-N 3.39Å; A302-W308 VanDerWaalsContact CB-CA 3.46Å; A302-W308 HydrophobicContact CB-CB 3.55Å; A302-W308 HydrophobicContact CB-CG 4.13Å
303D97.8Very high98.7Very high63 Ų6320.1 Ų20.134%0.33711%0.106SC..SBendtrans-113.8-2.4168.960.96.9000113.1K240 T307 K330K240-D303 HydrophobicContact CB-CB 4.27Å; K240-D303 HydrophobicContact CD-CB 4.09Å; K240-D303 HydrophobicContact CG-CB 3.89Å; D303-T307 PolarHBondContact N-OG1 2.74Å; D303-T307 PolarHBondContact OD1-OG1 3.3Å; D303-K330 WeakPolarHBondContact O-CE 3.12Å; D303-K330 PolarHBondContact O-NZ 2.73Å
304S98.8Very high98.7Very high31 Ų3124.4 Ų24.422%0.21712%0.124CC..SBendtrans-144.2162.317470.90000111.3K306 T307 W308S304-K306 VanDerWaalsContact C-N 3.29Å; S304-K306 PolarHBondContact O-N 3.3Å; S304-T307 PolarHBondContact N-OG1 3.23Å; S304-T307 PolarHBondContact O-N 3.14Å; S304-T307 PolarHBondContact O-OG1 2.87Å; S304-T307 WeakPolarHBondContact OG-CG2 3.05Å; S304-T307 PolarHBondContact OG-N 2.67Å; S304-T307 PolarHBondContact OG-OG1 3.11Å; S304-W308 WeakPolarHBondContact O-CB 3.23Å; S304-W308 PolarHBondContact O-N 2.74Å
305G98.8Very high98.7Very high1 Ų126.6 Ų26.61%0.0114%0.139CC..Hα-helixtrans-57.4-39.9174.900000113.6W308 A309G305-W308 PolarHBondContact O-N 2.91Å; G305-A309 PolarHBondContact O-N 2.71Å
306K98.8Very high98.7Very high99 Ų9928 Ų2843%0.4315%0.147SC..Hα-helixtrans-64.1-50.6177.2-174.4176.9171.3-179.50112.2S304 W308 A309 E310 Y344S304-K306 VanDerWaalsContact C-N 3.29Å; S304-K306 PolarHBondContact O-N 3.3Å; K306-W308 PolarHBondContact O-N 3.23Å; K306-A309 WeakPolarHBondContact O-CB 3.28Å; K306-A309 PolarHBondContact O-N 3.02Å; K306-A309 VanDerWaalsContact O-N 3.11Å; K306-E310 WeakPolarHBondContact CE-OE1 3.23Å; K306-E310 IonicContact NZ-OE1 3.11Å; K306-E310 WeakPolarHBondContact O-CG 3.06Å; K306-E310 PolarHBondContact O-N 3.17Å; K306-Y344 HydrophobicContact CB-CD1 4.47Å; K306-Y344 HydrophobicContact CB-CE1 3.85Å; K306-Y344 HydrophobicContact CB-CE2 4.13Å; K306-Y344 HydrophobicContact CG-CE1 4.2Å
307T98.7Very high98.6Very high39 Ų3927.7 Ų27.724%0.23915%0.146CC..Hα-helixtrans-63.7-32.4179.150.90000112.1D303 S304 T311D303-T307 PolarHBondContact N-OG1 2.74Å; D303-T307 PolarHBondContact OD1-OG1 3.3Å; S304-T307 PolarHBondContact N-OG1 3.23Å; S304-T307 PolarHBondContact O-N 3.14Å; S304-T307 PolarHBondContact O-OG1 2.87Å; S304-T307 WeakPolarHBondContact OG-CG2 3.05Å; S304-T307 PolarHBondContact OG-N 2.67Å; S304-T307 PolarHBondContact OG-OG1 3.11Å; T307-T311 VanDerWaalsContact O-CB 3.32Å; T307-T311 WeakPolarHBondContact O-CB 3.21Å; T307-T311 PolarHBondContact O-N 3.25Å; T307-T311 PolarHBondContact O-OG1 2.87Å
308W98.9Very high98.5Very high0 Ų027.6 Ų27.60%015%0.146CC..Hα-helixtrans-62.8-47.9173.5-170.598.5000110.3M268 V295 A298 N299 A302 S304 G305 K306 T311 F312 Y324 V326 V346M268-W308 HydrophobicContact CE-CZ2 4.4Å; M268-W308 HydrophobicContact CG-CZ2 3.82Å; M268-W308 HydrophobicContact SD-CZ2 4.46Å; V295-W308 HydrophobicContact CG2-CZ2 4.46Å; A298-W308 HydrophobicContact CB-CD2 4.04Å; A298-W308 HydrophobicContact CB-CG 4.02Å; A298-W308 HydrophobicContact CB-CZ2 4.32Å; N299-W308 PolarHBondContact OD1-NE1 2.97Å; A302-W308 VanDerWaalsContact CB-CA 3.46Å; A302-W308 HydrophobicContact CB-CB 3.55Å; A302-W308 HydrophobicContact CB-CG 4.13Å; S304-W308 WeakPolarHBondContact O-CB 3.23Å; S304-W308 PolarHBondContact O-N 2.74Å; G305-W308 PolarHBondContact O-N 2.91Å; K306-W308 PolarHBondContact O-N 3.23Å; W308-T311 PolarHBondContact O-N 2.85Å; W308-F312 HydrophobicContact CE3-CB 4.04Å; W308-F312 HydrophobicContact CH2-CB 4.05Å; W308-F312 HydrophobicContact CH2-CD1 4.22Å; W308-F312 AromaticContact CH2-CD2 3.83Å; W308-F312 HydrophobicContact CH2-CD2 3.83Å; W308-F312 HydrophobicContact CH2-CE2 4.39Å; W308-F312 AromaticContact CH2-CG 3.74Å; W308-F312 HydrophobicContact CH2-CG 3.74Å; W308-F312 HydrophobicContact CZ2-CD2 4.33Å; W308-F312 HydrophobicContact CZ2-CG 4.5Å; W308-F312 HydrophobicContact CZ3-CB 3.78Å; W308-F312 HydrophobicContact CZ3-CD1 4.03Å; W308-F312 HydrophobicContact CZ3-CD2 4.34Å; W308-F312 AromaticContact CZ3-CG 3.77Å; W308-F312 HydrophobicContact CZ3-CG 3.77Å; W308-F312 VanDerWaalsContact O-CB 3.24Å; W308-F312 WeakPolarHBondContact O-CB 3.16Å; W308-F312 PolarHBondContact O-N 2.76Å; W308-Y324 AromaticContact CH2-CD1 3.54Å; W308-Y324 HydrophobicContact CH2-CD1 3.54Å; W308-Y324 AromaticContact CH2-CD2 3.85Å; W308-Y324 HydrophobicContact CH2-CD2 3.85Å; W308-Y324 HydrophobicContact CH2-CE1 4.1Å; W308-Y324 HydrophobicContact CH2-CE2 4.38Å; W308-Y324 AromaticContact CH2-CG 3.4Å; W308-Y324 HydrophobicContact CH2-CG 3.4Å; W308-Y324 HydrophobicContact CZ2-CD1 4.16Å; W308-Y324 HydrophobicContact CZ2-CG 4.39Å; W308-Y324 HydrophobicContact CZ3-CD1 4.45Å; W308-Y324 HydrophobicContact CZ3-CD2 4.15Å; W308-Y324 AromaticContact CZ3-CG 3.89Å; W308-Y324 HydrophobicContact CZ3-CG 3.89Å; W308-V326 HydrophobicContact CB-CG1 4.18Å; W308-V326 HydrophobicContact CB-CG2 4.33Å; W308-V326 HydrophobicContact CD2-CG2 3.57Å; W308-V326 HydrophobicContact CE3-CG2 3.5Å; W308-V326 VanDerWaalsContact CE3-CG2 3.5Å; W308-V326 HydrophobicContact CG-CG1 4.22Å; W308-V326 HydrophobicContact CG-CG2 3.94Å; W308-V326 HydrophobicContact CZ3-CG2 4.09Å; W308-V346 HydrophobicContact CE3-CG2 3.94Å; W308-V346 HydrophobicContact CZ3-CB 3.99Å; W308-V346 HydrophobicContact CZ3-CG1 4.07Å; W308-V346 HydrophobicContact CZ3-CG2 3.92Å
309A98.9Very high98.4Very high0 Ų027.6 Ų27.60%015%0.146CC..Hα-helixtrans-62.7-44.8179.300000112.7G305 K306 T311 F312 S313 V346 Y355G305-A309 PolarHBondContact O-N 2.71Å; K306-A309 WeakPolarHBondContact O-CB 3.28Å; K306-A309 PolarHBondContact O-N 3.02Å; K306-A309 VanDerWaalsContact O-N 3.11Å; A309-T311 PolarHBondContact O-N 3.43Å; A309-F312 PolarHBondContact O-N 2.81Å; A309-S313 WeakPolarHBondContact O-CB 3.33Å; A309-S313 PolarHBondContact O-N 2.84Å; A309-S313 PolarHBondContact O-OG 3.32Å; A309-V346 HydrophobicContact CB-CB 4.46Å; A309-V346 HydrophobicContact CB-CG1 4.18Å; A309-V346 HydrophobicContact CB-CG2 3.45Å; A309-V346 VanDerWaalsContact CB-CG2 3.45Å; A309-Y355 HydrophobicContact CB-CD1 3.6Å; A309-Y355 HydrophobicContact CB-CD2 3.79Å; A309-Y355 HydrophobicContact CB-CE1 4.14Å; A309-Y355 HydrophobicContact CB-CE2 4.31Å; A309-Y355 HydrophobicContact CB-CG 3.4Å; A309-Y355 VanDerWaalsContact CB-CG 3.4Å
310E98.8Very high98.3Very high78 Ų7828 Ų2836%0.36415%0.147SC..Hα-helixtrans-62.5-41.6177-71.6169.9166.700111.8K306 Y355K306-E310 WeakPolarHBondContact CE-OE1 3.23Å; K306-E310 IonicContact NZ-OE1 3.11Å; K306-E310 WeakPolarHBondContact O-CG 3.06Å; K306-E310 PolarHBondContact O-N 3.17Å; E310-Y355 WeakPolarHBondContact CG-OH 3.42Å
311T98.8Very high98.1Very high17 Ų1727.5 Ų27.510%0.10415%0.145CC..Hα-helixtrans-68.6-46177.9-56.20000111.4F119 I297 A298 M301 T307 W308 A309 S313 K314F119-T311 HydrophobicContact CD2-CG2 4.08Å; F119-T311 HydrophobicContact CE2-CG2 4.23Å; I297-T311 HydrophobicContact CG2-CG2 3.88Å; A298-T311 HydrophobicContact CB-CG2 4.16Å; M301-T311 HydrophobicContact CB-CG2 4.34Å; M301-T311 HydrophobicContact SD-CG2 4.07Å; T307-T311 VanDerWaalsContact O-CB 3.32Å; T307-T311 WeakPolarHBondContact O-CB 3.21Å; T307-T311 PolarHBondContact O-N 3.25Å; T307-T311 PolarHBondContact O-OG1 2.87Å; W308-T311 PolarHBondContact O-N 2.85Å; A309-T311 PolarHBondContact O-N 3.43Å; T311-S313 VanDerWaalsContact C-N 3.25Å; T311-S313 PolarHBondContact O-N 2.68Å; T311-K314 PolarHBondContact O-N 3.26Å
312F98.8Very high98Very high0 Ų026.2 Ų26.20%014%0.138CC..Hα-helixtrans-63.9-29179.7176.5-99.7000113.2R294 V295 A298 W308 A309 K314 Y324 V346 Q348 V353R294-F312 HydrophobicContact CB-CD2 3.76Å; R294-F312 HydrophobicContact CB-CE2 3.92Å; R294-F312 PolarHBondContact NH1-O 3.49Å; V295-F312 HydrophobicContact CG2-CD2 4.21Å; V295-F312 HydrophobicContact CG2-CE2 3.82Å; A298-F312 HydrophobicContact CB-CB 4.07Å; W308-F312 HydrophobicContact CE3-CB 4.04Å; W308-F312 HydrophobicContact CH2-CB 4.05Å; W308-F312 HydrophobicContact CH2-CD1 4.22Å; W308-F312 AromaticContact CH2-CD2 3.83Å; W308-F312 HydrophobicContact CH2-CD2 3.83Å; W308-F312 HydrophobicContact CH2-CE2 4.39Å; W308-F312 AromaticContact CH2-CG 3.74Å; W308-F312 HydrophobicContact CH2-CG 3.74Å; W308-F312 HydrophobicContact CZ2-CD2 4.33Å; W308-F312 HydrophobicContact CZ2-CG 4.5Å; W308-F312 HydrophobicContact CZ3-CB 3.78Å; W308-F312 HydrophobicContact CZ3-CD1 4.03Å; W308-F312 HydrophobicContact CZ3-CD2 4.34Å; W308-F312 AromaticContact CZ3-CG 3.77Å; W308-F312 HydrophobicContact CZ3-CG 3.77Å; W308-F312 VanDerWaalsContact O-CB 3.24Å; W308-F312 WeakPolarHBondContact O-CB 3.16Å; W308-F312 PolarHBondContact O-N 2.76Å; A309-F312 PolarHBondContact O-N 2.81Å; F312-K314 VanDerWaalsContact C-N 3.26Å; F312-K314 PolarHBondContact O-N 3.48Å; F312-Y324 HydrophobicContact CD1-CE2 4.33Å; F312-Y324 AromaticContact CE1-CD2 4Å; F312-Y324 HydrophobicContact CE1-CD2 4Å; F312-Y324 AromaticContact CE1-CE2 3.43Å; F312-Y324 HydrophobicContact CE1-CE2 3.43Å; F312-Y324 VanDerWaalsContact CE1-CE2 3.43Å; F312-Y324 AromaticContact CE2-CE2 3.91Å; F312-Y324 HydrophobicContact CE2-CE2 3.91Å; F312-Y324 AromaticContact CE2-CZ 3.76Å; F312-Y324 HydrophobicContact CZ-CD2 4.12Å; F312-Y324 AromaticContact CZ-CE2 3.18Å; F312-Y324 HydrophobicContact CZ-CE2 3.18Å; F312-Y324 AromaticContact CZ-CZ 3.43Å; F312-Y324 VanDerWaalsContact CZ-CZ 3.43Å; F312-Y324 WeakPolarHBondContact CZ-OH 3.38Å; F312-V346 HydrophobicContact CD1-CG1 4.06Å; F312-Q348 HydrophobicContact CE1-CB 4.17Å; F312-Q348 VanDerWaalsContact CE1-OE1 3.26Å; F312-V353 HydrophobicContact CD1-CG1 4.34Å
313S98.8Very high98Very high33 Ų3326.2 Ų26.223%0.23114%0.138CC..THydrogen-bonded Turntrans-68.6-21.8-179.4-62.30000113.9A309 T311 V353A309-S313 WeakPolarHBondContact O-CB 3.33Å; A309-S313 PolarHBondContact O-N 2.84Å; A309-S313 PolarHBondContact O-OG 3.32Å; T311-S313 VanDerWaalsContact C-N 3.25Å; T311-S313 PolarHBondContact O-N 2.68Å; S313-V353 WeakPolarHBondContact OG-CG1 3.49Å
314K98.6Very high98.1Very high97 Ų9723.2 Ų23.242%0.42212%0.122SC..THydrogen-bonded Turntrans-67.8136.9-178.5-66.6-179.4177.5-175.20111.1F119 R294 T311 F312 N316F119-K314 HydrophobicContact CB-CD 4.4Å; F119-K314 HydrophobicContact CD1-CD 4.39Å; F119-K314 HydrophobicContact CD2-CB 4.36Å; F119-K314 HydrophobicContact CD2-CD 3.65Å; F119-K314 HydrophobicContact CE1-CB 4.18Å; F119-K314 HydrophobicContact CE2-CB 3.74Å; F119-K314 HydrophobicContact CE2-CD 3.9Å; F119-K314 HydrophobicContact CE2-CG 4.39Å; F119-K314 HydrophobicContact CG-CD 3.91Å; F119-K314 HydrophobicContact CZ-CB 3.62Å; F119-K314 HydrophobicContact CZ-CD 4.35Å; R294-K314 WeakPolarHBondContact CD-O 3.45Å; T311-K314 PolarHBondContact O-N 3.26Å; F312-K314 VanDerWaalsContact C-N 3.26Å; F312-K314 PolarHBondContact O-N 3.48Å; K314-N316 PolarHBondContact O-N 3.37Å
315C98.2Very high98.1Very high46 Ų4621.7 Ų21.731%0.31111%0.112SC..THydrogen-bonded Turntrans53.837.2177.1-55.80000113.8W106 L289 S317W106-C315 HydrophobicContact CH2-CB 4.24Å; L289-C315 HydrophobicContact CB-CB 4.12Å; L289-C315 HydrophobicContact CD1-CB 4.11Å; L289-C315 HydrophobicContact CG-CB 3.93Å; L289-C315 PolarHBondContact N-O 2.79Å; C315-S317 PolarHBondContact O-N 2.91Å
316N98.4Very high98.1Very high31 Ų3121.7 Ų21.717%0.16611%0.111CC..BIsolated β-bridgetrans-51.2121.4179.3176.221.5000112.1R294 K314 G318 Q348 I349 L352 V353R294-N316 PolarHBondContact NH2-OD1 3.22Å; K314-N316 PolarHBondContact O-N 3.37Å; N316-G318 PolarHBondContact OD1-N 3.4Å; N316-Q348 VanDerWaalsContact OD1-CG 3.26Å; N316-Q348 WeakPolarHBondContact OD1-CG 3.46Å; N316-Q348 PolarHBondContact OD1-NE2 3.25Å; N316-Q348 PolarHBondContact OD1-OE1 2.86Å; N316-I349 PolarHBondContact ND2-O 3.14Å; N316-L352 PolarHBondContact ND2-N 2.76Å; N316-V353 HydrophobicContact CB-CG2 4.17Å
317S98Very high98.1Very high4 Ų417 Ų173%0.0289%0.091CC..  trans-81.1-20.317854.30000114.6S288 L289 R294 C315 T319S288-S317 WeakPolarHBondContact OG-CA 3.42Å; S288-S317 WeakPolarHBondContact OG-CB 3.24Å; L289-S317 WeakPolarHBondContact O-CB 3.44Å; L289-S317 PolarHBondContact O-OG 2.82Å; R294-S317 PolarHBondContact NH2-OG 2.89Å; C315-S317 PolarHBondContact O-N 2.91Å; S317-T319 VanDerWaalsContact CB-OG1 3.29Å; S317-T319 WeakPolarHBondContact CB-OG1 3.4Å; S317-T319 PolarHBondContact O-N 3.36Å; S317-T319 PolarHBondContact OG-N 3.36Å; S317-T319 PolarHBondContact OG-OG1 3.16Å
318G96.8Very high98.1Very high0 Ų015.3 Ų15.30%08%0.08CC..SBendtrans67.918.5-168.500000114.1N316 N321 P350N316-G318 PolarHBondContact OD1-N 3.4Å; G318-N321 VanDerWaalsContact C-OD1 3.3Å; G318-N321 PolarHBondContact O-ND2 2.95Å; G318-N321 PolarHBondContact O-OD1 3.03Å; G318-P350 VanDerWaalsContact CA-CA 3.43Å
319T96.4Very high98.1Very high0 Ų016.1 Ų16.10%09%0.085CC..  trans-114.8150.9176.855.50000110.4D162 D165 L166 V284 S317 Q348D162-T319 WeakPolarHBondContact OD1-CB 3.42Å; D162-T319 PolarHBondContact OD1-OG1 2.93Å; D165-T319 HydrophobicContact CB-CG2 4.3Å; L166-T319 HydrophobicContact CB-CG2 4.17Å; V284-T319 HydrophobicContact CG1-CG2 3.7Å; V284-T319 HydrophobicContact CG2-CG2 4.21Å; S317-T319 VanDerWaalsContact CB-OG1 3.29Å; S317-T319 WeakPolarHBondContact CB-OG1 3.4Å; S317-T319 PolarHBondContact O-N 3.36Å; S317-T319 PolarHBondContact OG-N 3.36Å; S317-T319 PolarHBondContact OG-OG1 3.16Å; T319-Q348 PolarHBondContact O-NE2 2.74Å
320Y95.4Very high98.1Very high11 Ų1121.6 Ų21.64%0.04311%0.109CC..SBendtrans51.660.4-170.6-162.3-136.4000110.9G161 D165 L256 Q270 T272 A291 N322G161-Y320 WeakPolarHBondContact O-CD2 3.27Å; D165-Y320 WeakPolarHBondContact OD2-CA 3.47Å; D165-Y320 PolarHBondContact OD2-N 2.62Å; L256-Y320 HydrophobicContact CD1-CE2 4.23Å; L256-Y320 PolarHBondContact O-OH 3.03Å; Q270-Y320 PolarHBondContact NE2-OH 3.24Å; Q270-Y320 PolarHBondContact OE1-OH 3.28Å; T272-Y320 HydrophobicContact CG2-CD2 4.44Å; T272-Y320 HydrophobicContact CG2-CE2 4.38Å; A291-Y320 HydrophobicContact CB-CD1 3.94Å; A291-Y320 HydrophobicContact CB-CG 4.35Å; Y320-N322 WeakPolarHBondContact CD1-ND2 3.41Å; Y320-N322 WeakPolarHBondContact CE1-ND2 3.06Å; Y320-N322 PolarHBondContact O-N 2.82Å; Y320-N322 PolarHBondContact O-ND2 3.49Å; Y320-N322 VanDerWaalsContact O-ND2 3.07Å; Y320-N322 PolarHBondContact O-OD1 2.93Å
321N95.9Very high98.1Very high0 Ų021.6 Ų21.60%011%0.108CC..  trans-72.6120.6-173-64.9-59.9000110.8D165 T272 N273 V275 G318 Q348 I349D165-N321 PolarHBondContact OD1-ND2 2.9Å; D165-N321 VanDerWaalsContact OD1-ND2 3.11Å; D165-N321 PolarHBondContact OD2-N 3.35Å; D165-N321 PolarHBondContact OD2-ND2 3.48Å; D165-N321 VanDerWaalsContact OD2-ND2 3.15Å; T272-N321 WeakPolarHBondContact CG2-O 3.45Å; N273-N321 PolarHBondContact N-O 2.97Å; V275-N321 HydrophobicContact CG2-CB 3.89Å; G318-N321 VanDerWaalsContact C-OD1 3.3Å; G318-N321 PolarHBondContact O-ND2 2.95Å; G318-N321 PolarHBondContact O-OD1 3.03Å; N321-Q348 WeakPolarHBondContact CB-O 3.49Å; N321-Q348 PolarHBondContact OD1-NE2 2.73Å; N321-Q348 VanDerWaalsContact OD1-NE2 3.16Å; N321-I349 VanDerWaalsContact OD1-CA 3.31Å; N321-I349 WeakPolarHBondContact OD1-CA 2.97Å
322N96.7Very high98Very high0 Ų021.2 Ų21.20%011%0.105CC..EExtended strand (participates in β ladder)trans-141.1154.8-156.4-78.5-14.4000111.7Q270 T272 Y320 Y324 E347 Q348Q270-N322 HydrophobicContact CG-CB 3.48Å; Q270-N322 VanDerWaalsContact CG-CB 3.48Å; Q270-N322 VanDerWaalsContact CG-CG 3.41Å; Q270-N322 WeakPolarHBondContact CG-ND2 3.31Å; Q270-N322 PolarHBondContact NE2-ND2 3.08Å; Q270-N322 PolarHBondContact NE2-OD1 3.29Å; T272-N322 VanDerWaalsContact CA-OD1 3.27Å; T272-N322 WeakPolarHBondContact CA-OD1 3.02Å; T272-N322 WeakPolarHBondContact CG2-OD1 3.2Å; Y320-N322 WeakPolarHBondContact CD1-ND2 3.41Å; Y320-N322 WeakPolarHBondContact CE1-ND2 3.06Å; Y320-N322 PolarHBondContact O-N 2.82Å; Y320-N322 PolarHBondContact O-ND2 3.49Å; Y320-N322 VanDerWaalsContact O-ND2 3.07Å; Y320-N322 PolarHBondContact O-OD1 2.93Å; N322-Y324 HydrophobicContact CB-CD2 4.01Å; N322-Y324 HydrophobicContact CB-CE1 4.12Å; N322-Y324 HydrophobicContact CB-CE2 3.38Å; N322-Y324 VanDerWaalsContact CB-CZ 3.45Å; N322-Y324 PolarHBondContact ND2-OH 2.54Å; N322-E347 VanDerWaalsContact O-CA 3.32Å; N322-E347 WeakPolarHBondContact O-CA 3.38Å; N322-Q348 PolarHBondContact O-N 2.9Å; N322-Q348 VanDerWaalsContact O-N 3.14Å
323Q98.2Very high98Very high0 Ų025.7 Ų25.70%012%0.124CC..EExtended strand (participates in β ladder)trans-100113.2156.5-178-172.798.300109Q270 T271 I345 V346 E347 S369Q270-Q323 CarbonylContact C-O 3.58Å; Q270-Q323 WeakPolarHBondContact CA-O 3.47Å; Q270-Q323 WeakPolarHBondContact CB-O 3.42Å; T271-Q323 PolarHBondContact N-O 3Å; T271-Q323 PolarHBondContact O-N 3.25Å; Q323-I345 HydrophobicContact CG-CG2 3.67Å; Q323-V346 CarbonylContact C-O 3.49Å; Q323-V346 WeakPolarHBondContact CA-O 3.32Å; Q323-E347 HydrophobicContact CB-CG 3.85Å; Q323-E347 HydrophobicContact CG-CG 3.78Å; Q323-E347 WeakPolarHBondContact CG-OE1 3.38Å; Q323-E347 PolarHBondContact NE2-OE1 2.7Å; Q323-S369 VanDerWaalsContact OE1-CB 3.29Å; Q323-S369 PolarHBondContact OE1-OG 2.91Å
324Y98.8Very high98Very high0 Ų026 Ų260%012%0.124CC..EExtended strand (participates in β ladder)trans-94.1136.2172.1-52.9-91.5000110.3M268 L269 Q270 V295 W308 F312 N322 I345 V346M268-Y324 HydrophobicContact CE-CD1 4.48Å; M268-Y324 HydrophobicContact SD-CD1 3.84Å; L269-Y324 CarbonylContact O-C 3.55Å; L269-Y324 WeakPolarHBondContact O-CA 3.35Å; Q270-Y324 HydrophobicContact CB-CD1 3.54Å; Q270-Y324 HydrophobicContact CB-CE1 3.96Å; Q270-Y324 HydrophobicContact CB-CG 4.19Å; Q270-Y324 HydrophobicContact CG-CD1 3.91Å; Q270-Y324 HydrophobicContact CG-CE1 3.88Å; Q270-Y324 HydrophobicContact CG-CG 4.49Å; V295-Y324 HydrophobicContact CG2-CE1 3.67Å; W308-Y324 AromaticContact CH2-CD1 3.54Å; W308-Y324 HydrophobicContact CH2-CD1 3.54Å; W308-Y324 AromaticContact CH2-CD2 3.85Å; W308-Y324 HydrophobicContact CH2-CD2 3.85Å; W308-Y324 HydrophobicContact CH2-CE1 4.1Å; W308-Y324 HydrophobicContact CH2-CE2 4.38Å; W308-Y324 AromaticContact CH2-CG 3.4Å; W308-Y324 HydrophobicContact CH2-CG 3.4Å; W308-Y324 HydrophobicContact CZ2-CD1 4.16Å; W308-Y324 HydrophobicContact CZ2-CG 4.39Å; W308-Y324 HydrophobicContact CZ3-CD1 4.45Å; W308-Y324 HydrophobicContact CZ3-CD2 4.15Å; W308-Y324 AromaticContact CZ3-CG 3.89Å; W308-Y324 HydrophobicContact CZ3-CG 3.89Å; F312-Y324 HydrophobicContact CD1-CE2 4.33Å; F312-Y324 AromaticContact CE1-CD2 4Å; F312-Y324 HydrophobicContact CE1-CD2 4Å; F312-Y324 AromaticContact CE1-CE2 3.43Å; F312-Y324 HydrophobicContact CE1-CE2 3.43Å; F312-Y324 VanDerWaalsContact CE1-CE2 3.43Å; F312-Y324 AromaticContact CE2-CE2 3.91Å; F312-Y324 HydrophobicContact CE2-CE2 3.91Å; F312-Y324 AromaticContact CE2-CZ 3.76Å; F312-Y324 HydrophobicContact CZ-CD2 4.12Å; F312-Y324 AromaticContact CZ-CE2 3.18Å; F312-Y324 HydrophobicContact CZ-CE2 3.18Å; F312-Y324 AromaticContact CZ-CZ 3.43Å; F312-Y324 VanDerWaalsContact CZ-CZ 3.43Å; F312-Y324 WeakPolarHBondContact CZ-OH 3.38Å; N322-Y324 HydrophobicContact CB-CD2 4.01Å; N322-Y324 HydrophobicContact CB-CE1 4.12Å; N322-Y324 HydrophobicContact CB-CE2 3.38Å; N322-Y324 VanDerWaalsContact CB-CZ 3.45Å; N322-Y324 PolarHBondContact ND2-OH 2.54Å; Y324-I345 WeakPolarHBondContact O-CA 3.45Å; Y324-V346 HydrophobicContact CD2-CB 4.47Å; Y324-V346 PolarHBondContact N-O 3.3Å; Y324-V346 PolarHBondContact O-N 3.45Å
325M98.9Very high98Very high0 Ų028.3 Ų28.30%014%0.136CC..EExtended strand (participates in β ladder)trans-111.8109173.5-63.1144.3-79.800108.1A199 I201 L269 T271 L343 I345 S369A199-M325 HydrophobicContact CB-CE 3.74Å; A199-M325 HydrophobicContact CB-SD 3.86Å; I201-M325 HydrophobicContact CD1-CB 4.04Å; L269-M325 HydrophobicContact CB-CB 4.29Å; L269-M325 HydrophobicContact CB-CE 3.74Å; L269-M325 HydrophobicContact CB-SD 4.37Å; L269-M325 PolarHBondContact N-O 2.77Å; L269-M325 PolarHBondContact O-N 2.69Å; T271-M325 HydrophobicContact CG2-CE 4.41Å; M325-L343 HydrophobicContact CB-CD1 4.18Å; M325-I345 HydrophobicContact CB-CD1 4.01Å; M325-I345 HydrophobicContact CG-CD1 3.49Å; M325-I345 VanDerWaalsContact CG-CD1 3.49Å; M325-S369 VanDerWaalsContact SD-CB 3.53Å
326V98.9Very high98Very high0 Ų034.1 Ų34.10%016%0.156CC..EExtended strand (participates in β ladder)trans-104.1100.1179.5-168.90000108.7L266 I267 M268 W308 Y344L266-V326 HydrophobicContact CB-CG1 4.46Å; L266-V326 HydrophobicContact CD1-CG1 4.12Å; L266-V326 HydrophobicContact CD2-CG1 4.29Å; I267-V326 CarbonylContact O-C 3.49Å; I267-V326 WeakPolarHBondContact O-CA 3.34Å; M268-V326 HydrophobicContact CG-CG2 4.4Å; W308-V326 HydrophobicContact CB-CG1 4.18Å; W308-V326 HydrophobicContact CB-CG2 4.33Å; W308-V326 HydrophobicContact CD2-CG2 3.57Å; W308-V326 HydrophobicContact CE3-CG2 3.5Å; W308-V326 VanDerWaalsContact CE3-CG2 3.5Å; W308-V326 HydrophobicContact CG-CG1 4.22Å; W308-V326 HydrophobicContact CG-CG2 3.94Å; W308-V326 HydrophobicContact CZ3-CG2 4.09Å; V326-Y344 PolarHBondContact N-O 3.27Å; V326-Y344 PolarHBondContact O-N 2.8Å
327L98.9Very high98Very high1 Ų134.2 Ų34.21%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-94.1117.3179.2173.877.5000109.6I201 I210 F212 L266 I267 L329 A342 L343 L362I201-L327 HydrophobicContact CD1-CB 4.29Å; I201-L327 HydrophobicContact CG2-CD1 4.39Å; I201-L327 HydrophobicContact CG2-CD2 4.19Å; I210-L327 HydrophobicContact CD1-CD1 3.65Å; I210-L327 HydrophobicContact CD1-CD2 3.9Å; I210-L327 HydrophobicContact CD1-CG 4.43Å; I210-L327 HydrophobicContact CG1-CD2 4.44Å; F212-L327 HydrophobicContact CB-CD2 4.47Å; F212-L327 HydrophobicContact CD1-CD2 4Å; F212-L327 HydrophobicContact CG-CD2 4.46Å; L266-L327 CarbonylContact C-O 3.42Å; L266-L327 WeakPolarHBondContact CA-O 3.41Å; I267-L327 HydrophobicContact CB-CB 4.18Å; I267-L327 HydrophobicContact CB-CD2 4.45Å; I267-L327 HydrophobicContact CG1-CD2 4.38Å; I267-L327 PolarHBondContact N-O 2.65Å; I267-L327 PolarHBondContact O-N 2.73Å; L327-L329 HydrophobicContact CD2-CD2 3.74Å; L327-L329 HydrophobicContact CG-CD2 4.08Å; L327-A342 CarbonylContact C-O 3.45Å; L327-A342 VanDerWaalsContact CA-O 3.27Å; L327-A342 WeakPolarHBondContact CA-O 3.4Å; L327-A342 WeakPolarHBondContact CD1-O 3.15Å; L327-L343 HydrophobicContact CB-CD1 4.36Å; L327-L362 HydrophobicContact CD1-CD2 3.92Å
328D98.9Very high98Very high3 Ų334.2 Ų34.22%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-92.1104.6175.7-173.8-6000110.8L266 K330 K331 A342L266-D328 HydrophobicContact CD2-CB 3.59Å; D328-K330 PolarHBondContact O-N 3.22Å; D328-K330 WeakPolarHBondContact OD1-CB 3.01Å; D328-K330 WeakPolarHBondContact OD1-CE 3.33Å; D328-K330 WeakPolarHBondContact OD1-CG 3.43Å; D328-K330 PolarHBondContact OD1-N 3.41Å; D328-K331 HydrophobicContact CB-CG 4.1Å; D328-K331 PolarHBondContact O-N 3.29Å; D328-K331 VanDerWaalsContact O-N 3.1Å; D328-A342 PolarHBondContact N-O 3.47Å
329L98.7Very high98.1Very high18 Ų1836.4 Ų36.49%0.09417%0.17CC..G310 helixtrans-66.7-19.8180-61-178000112.7I210 G265 I267 L327 K331 V332 F466 A469I210-L329 HydrophobicContact CG2-CD2 4.35Å; G265-L329 WeakPolarHBondContact O-CB 3.27Å; G265-L329 PolarHBondContact O-N 3Å; I267-L329 HydrophobicContact CD1-CD1 3.91Å; I267-L329 HydrophobicContact CD1-CG 4.48Å; I267-L329 HydrophobicContact CG1-CD1 3.85Å; I267-L329 HydrophobicContact CG1-CD2 4.24Å; I267-L329 HydrophobicContact CG1-CG 3.93Å; L327-L329 HydrophobicContact CD2-CD2 3.74Å; L327-L329 HydrophobicContact CG-CD2 4.08Å; L329-K331 PolarHBondContact O-N 3.14Å; L329-V332 HydrophobicContact CD2-CG2 4.32Å; L329-V332 PolarHBondContact O-N 2.95Å; L329-V332 VanDerWaalsContact O-N 3.13Å; L329-F466 HydrophobicContact CB-CD2 4.41Å; L329-F466 HydrophobicContact CB-CE2 4.21Å; L329-F466 HydrophobicContact CD2-CD2 4.18Å; L329-F466 WeakPolarHBondContact O-CE2 3.39Å; L329-A469 HydrophobicContact CD1-CB 3.47Å; L329-A469 VanDerWaalsContact CD1-CB 3.47Å
330K98.4Very high98.2Very high115 Ų11541.2 Ų41.250%0.520%0.196SC..G310 helixtrans-68-20175.5-58.2173.8-63.6-155.50112S264 D303 D328S264-K330 WeakPolarHBondContact O-CE 3.48Å; S264-K330 PolarHBondContact O-NZ 2.8Å; D303-K330 WeakPolarHBondContact O-CE 3.12Å; D303-K330 PolarHBondContact O-NZ 2.73Å; D328-K330 PolarHBondContact O-N 3.22Å; D328-K330 WeakPolarHBondContact OD1-CB 3.01Å; D328-K330 WeakPolarHBondContact OD1-CE 3.33Å; D328-K330 WeakPolarHBondContact OD1-CG 3.43Å; D328-K330 PolarHBondContact OD1-N 3.41Å
331K98.8Very high98.3Very high78 Ų7841.3 Ų41.334%0.33920%0.201SC..G310 helixtrans-93.4-0.5176.4-59.7-65-175.5172.20113.2D328 L329 D339 A342D328-K331 HydrophobicContact CB-CG 4.1Å; D328-K331 PolarHBondContact O-N 3.29Å; D328-K331 VanDerWaalsContact O-N 3.1Å; L329-K331 PolarHBondContact O-N 3.14Å; K331-D339 HydrophobicContact CB-CB 4.25Å; K331-D339 HydrophobicContact CD-CB 4.12Å; K331-D339 PolarHBondContact O-N 3.46Å; K331-A342 HydrophobicContact CB-CB 3.69Å
332V98.6Very high98.5Very high9 Ų941.3 Ų41.36%0.05520%0.201CC..EExtended strand (participates in β ladder)trans-96.4112176.7179.40000109.2I210 L329 L334 L338 F466I210-V332 HydrophobicContact CD1-CG2 4.37Å; I210-V332 HydrophobicContact CG2-CG1 3.88Å; I210-V332 HydrophobicContact CG2-CG2 4.4Å; L329-V332 HydrophobicContact CD2-CG2 4.32Å; L329-V332 PolarHBondContact O-N 2.95Å; L329-V332 VanDerWaalsContact O-N 3.13Å; V332-L334 HydrophobicContact CG1-CD2 4Å; V332-L338 HydrophobicContact CB-CD2 4.08Å; V332-L338 HydrophobicContact CG1-CD2 3.77Å; V332-L338 HydrophobicContact CG2-CD2 3.89Å; V332-F466 HydrophobicContact CB-CD2 4.03Å; V332-F466 HydrophobicContact CB-CE2 3.84Å; V332-F466 HydrophobicContact CG1-CD2 3.81Å; V332-F466 HydrophobicContact CG1-CE2 3.97Å
333K98.4Very high98.6Very high93 Ų9341.3 Ų41.340%0.40420%0.201SC..EExtended strand (participates in β ladder)trans-105.998172.2-62.4178.6-169.6144.80108.8Q335 K336 S337 D339K333-Q335 PolarHBondContact O-N 3.32Å; K333-K336 HydrophobicContact CB-CB 3.99Å; K333-K336 PolarHBondContact O-N 3.18Å; K333-S337 CarbonylContact C-O 3.58Å; K333-S337 WeakPolarHBondContact CA-O 3.41Å; K333-S337 PolarHBondContact N-O 3.31Å; K333-S337 PolarHBondContact O-N 3.49Å; K333-S337 VanDerWaalsContact O-O 3.1Å; K333-D339 WeakPolarHBondContact CE-OD2 3.26Å; K333-D339 VanDerWaalsContact NZ-CG 3.28Å; K333-D339 IonicContact NZ-OD1 3.16Å; K333-D339 PolarHBondContact NZ-OD1 2.76Å; K333-D339 VanDerWaalsContact NZ-OD1 3.13Å; K333-D339 IonicContact NZ-OD2 3.13Å; K333-D339 PolarHBondContact NZ-OD2 2.63Å
334L98.3Very high98.6Very high41 Ų4143 Ų4322%0.21521%0.207CC..THydrogen-bonded Turntrans-52.1142.1179.2-62-176.4000111.4Y207 V332 K336 F466Y207-L334 CarbonylContact O-C 3.59Å; Y207-L334 VanDerWaalsContact O-CA 3.28Å; Y207-L334 WeakPolarHBondContact O-CA 3.3Å; V332-L334 HydrophobicContact CG1-CD2 4Å; L334-K336 PolarHBondContact O-N 3.06Å; L334-K336 VanDerWaalsContact O-N 3.13Å; L334-F466 HydrophobicContact CD1-CB 4.44Å; L334-F466 HydrophobicContact CD1-CD1 3.68Å; L334-F466 HydrophobicContact CD1-CE1 4.11Å; L334-F466 HydrophobicContact CD1-CG 4.06Å; L334-F466 HydrophobicContact CD2-CB 4.34Å; L334-F466 HydrophobicContact CD2-CD2 4.34Å; L334-F466 HydrophobicContact CD2-CG 4.17Å; L334-F466 HydrophobicContact CG-CD1 4.18Å; L334-F466 HydrophobicContact CG-CD2 4.49Å; L334-F466 HydrophobicContact CG-CE1 4.39Å; L334-F466 HydrophobicContact CG-CG 4.23Å
335Q98.3Very high98.6Very high145 Ų14543 Ų4368%0.67821%0.207SC*.THydrogen-bonded Turntrans59.714.5-177.5-55.9176-6.900114.7G206 Y207 K333G206-Q335 WeakPolarHBondContact O-CA 3.48Å; Y207-Q335 PolarHBondContact O-N 3.14Å; K333-Q335 PolarHBondContact O-N 3.32Å
336K98Very high98.6Very high167 Ų16743 Ų4373%0.72621%0.207SC*.THydrogen-bonded Turntrans-137.3-71.2-174.2-64.8-177-179.8-177.20113.1K333 L334K333-K336 HydrophobicContact CB-CB 3.99Å; K333-K336 PolarHBondContact O-N 3.18Å; L334-K336 PolarHBondContact O-N 3.06Å; L334-K336 VanDerWaalsContact O-N 3.13Å
337S97.8Very high98.6Very high34 Ų3443 Ų4324%0.23821%0.207CC..EExtended strand (participates in β ladder)trans-157.8158.3-170.863.70000112.9K333 D339K333-S337 CarbonylContact C-O 3.58Å; K333-S337 WeakPolarHBondContact CA-O 3.41Å; K333-S337 PolarHBondContact N-O 3.31Å; K333-S337 PolarHBondContact O-N 3.49Å; K333-S337 VanDerWaalsContact O-O 3.1Å; S337-D339 PolarHBondContact OG-OD1 3.44Å
338L98.4Very high98.5Very high4 Ų443 Ų432%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-104.4116.4155.1-57.9-178.1000106.6V203 Y207 V332 A342 T359 L362 R363V203-L338 HydrophobicContact CG1-CD1 4.25Å; V203-L338 HydrophobicContact CG2-CD1 3.8Å; Y207-L338 HydrophobicContact CD1-CG 4.13Å; Y207-L338 HydrophobicContact CE1-CD1 4.2Å; Y207-L338 HydrophobicContact CE1-CG 3.95Å; V332-L338 HydrophobicContact CB-CD2 4.08Å; V332-L338 HydrophobicContact CG1-CD2 3.77Å; V332-L338 HydrophobicContact CG2-CD2 3.89Å; L338-A342 HydrophobicContact CB-CB 4.42Å; L338-T359 HydrophobicContact CB-CG2 4.04Å; L338-L362 HydrophobicContact CD1-CB 4.46Å; L338-L362 HydrophobicContact CD1-CD2 3.95Å; L338-L362 HydrophobicContact CD1-CG 3.85Å; L338-R363 HydrophobicContact CB-CG 4.17Å; L338-R363 HydrophobicContact CD1-CG 4.37Å; L338-R363 VanDerWaalsContact O-CZ 3.25Å; L338-R363 PolarHBondContact O-NE 3.1Å; L338-R363 PolarHBondContact O-NH2 3.13Å
339D98.6Very high98.5Very high46 Ų4642.9 Ų42.925%0.24621%0.206CC..  trans-78.3153.5178.4-66.2-2.6000110.1K331 K333 S337 A342 T359K331-D339 HydrophobicContact CB-CB 4.25Å; K331-D339 HydrophobicContact CD-CB 4.12Å; K331-D339 PolarHBondContact O-N 3.46Å; K333-D339 WeakPolarHBondContact CE-OD2 3.26Å; K333-D339 VanDerWaalsContact NZ-CG 3.28Å; K333-D339 IonicContact NZ-OD1 3.16Å; K333-D339 PolarHBondContact NZ-OD1 2.76Å; K333-D339 VanDerWaalsContact NZ-OD1 3.13Å; K333-D339 IonicContact NZ-OD2 3.13Å; K333-D339 PolarHBondContact NZ-OD2 2.63Å; S337-D339 PolarHBondContact OG-OD1 3.44Å; D339-A342 VanDerWaalsContact O-CB 3.26Å; D339-A342 WeakPolarHBondContact O-CB 3.05Å; D339-A342 PolarHBondContact O-N 3.4Å; D339-A342 VanDerWaalsContact O-N 3.14Å; D339-T359 WeakPolarHBondContact O-CG2 3.32Å
340D98.8Very high98.4Very high101 Ų10142.1 Ų42.154%0.5420%0.202SC..THydrogen-bonded Turntrans-55.4143.2176.4-66.3-19.9000111.1R363D340-R363 IonicContact OD1-CZ 3.81Å; D340-R363 VanDerWaalsContact OD1-CZ 3.27Å; D340-R363 IonicContact OD1-NH1 3.8Å; D340-R363 PolarHBondContact OD1-NH1 3.39Å; D340-R363 IonicContact OD1-NH2 2.62Å; D340-R363 PolarHBondContact OD1-NH2 3.5Å
341G98.6Very high98.3Very high13 Ų1341.5 Ų41.513%0.13421%0.209CC..THydrogen-bonded Turntrans82.95-170.500000115.1L343 D357 T359G341-L343 VanDerWaalsContact C-N 3.31Å; G341-L343 PolarHBondContact O-N 3.38Å; G341-D357 WeakPolarHBondContact CA-OD2 3.42Å; G341-D357 PolarHBondContact N-OD2 3Å; G341-T359 PolarHBondContact N-OG1 2.82Å
342A98.8Very high98.3Very high0 Ų039.4 Ų39.40%020%0.201CC..SBendtrans-63.5-3517600000112.8L327 D328 K331 L338 D339 T359L327-A342 CarbonylContact C-O 3.45Å; L327-A342 VanDerWaalsContact CA-O 3.27Å; L327-A342 WeakPolarHBondContact CA-O 3.4Å; L327-A342 WeakPolarHBondContact CD1-O 3.15Å; D328-A342 PolarHBondContact N-O 3.47Å; K331-A342 HydrophobicContact CB-CB 3.69Å; L338-A342 HydrophobicContact CB-CB 4.42Å; D339-A342 VanDerWaalsContact O-CB 3.26Å; D339-A342 WeakPolarHBondContact O-CB 3.05Å; D339-A342 PolarHBondContact O-N 3.4Å; D339-A342 VanDerWaalsContact O-N 3.14Å; A342-T359 HydrophobicContact CB-CG2 3.94Å; A342-T359 PolarHBondContact N-OG1 2.96Å
343L98.9Very high98.3Very high0 Ų040.1 Ų40.10%021%0.205CC..EExtended strand (participates in β ladder)trans-133.1117.2176.1178.463.1000111I201 M325 L327 G341 I345 Q358 T359 L362 W367I201-L343 HydrophobicContact CD1-CD1 3.63Å; I201-L343 HydrophobicContact CD1-CD2 4.34Å; M325-L343 HydrophobicContact CB-CD1 4.18Å; L327-L343 HydrophobicContact CB-CD1 4.36Å; G341-L343 VanDerWaalsContact C-N 3.31Å; G341-L343 PolarHBondContact O-N 3.38Å; L343-I345 HydrophobicContact CD1-CD1 3.98Å; L343-I345 HydrophobicContact CD2-CD1 4.13Å; L343-I345 HydrophobicContact CG-CD1 3.99Å; L343-I345 HydrophobicContact CG-CG1 4.45Å; L343-Q358 HydrophobicContact CD2-CB 4.34Å; L343-Q358 HydrophobicContact CG-CB 4.47Å; L343-Q358 PolarHBondContact O-N 3.24Å; L343-T359 PolarHBondContact N-OG1 3.16Å; L343-T359 VanDerWaalsContact N-OG1 3.14Å; L343-L362 HydrophobicContact CB-CD2 3.86Å; L343-L362 HydrophobicContact CD2-CB 4.08Å; L343-L362 HydrophobicContact CD2-CD1 4.41Å; L343-L362 HydrophobicContact CD2-CD2 4.09Å; L343-L362 HydrophobicContact CD2-CG 4.41Å; L343-W367 HydrophobicContact CD2-CB 3.71Å; L343-W367 HydrophobicContact CD2-CD2 4.01Å; L343-W367 HydrophobicContact CD2-CE3 4.18Å; L343-W367 HydrophobicContact CD2-CG 3.78Å
344Y98.9Very high98.3Very high36 Ų3637.5 Ų37.514%0.14119%0.194CC..EExtended strand (participates in β ladder)trans-103.2136.8166.2-96.3-107.8000110.6K306 V326 Y355 S356 D357K306-Y344 HydrophobicContact CB-CD1 4.47Å; K306-Y344 HydrophobicContact CB-CE1 3.85Å; K306-Y344 HydrophobicContact CB-CE2 4.13Å; K306-Y344 HydrophobicContact CG-CE1 4.2Å; V326-Y344 PolarHBondContact N-O 3.27Å; V326-Y344 PolarHBondContact O-N 2.8Å; Y344-Y355 HydrophobicContact CD1-CD2 4.2Å; Y344-Y355 AromaticContact CE1-CD2 3.98Å; Y344-Y355 HydrophobicContact CE1-CD2 3.98Å; Y344-S356 WeakPolarHBondContact CA-O 3.45Å; Y344-D357 HydrophobicContact CD2-CB 4.23Å; Y344-D357 HydrophobicContact CE2-CB 3.7Å
345I98.9Very high98.3Very high0 Ų039.6 Ų39.60%020%0.2CC..EExtended strand (participates in β ladder)trans-108.3128.8171.7-57.1-59.9000107.7Q323 Y324 M325 L343 E347 Y355 S356 Q358 W367 H375Q323-I345 HydrophobicContact CG-CG2 3.67Å; Y324-I345 WeakPolarHBondContact O-CA 3.45Å; M325-I345 HydrophobicContact CB-CD1 4.01Å; M325-I345 HydrophobicContact CG-CD1 3.49Å; M325-I345 VanDerWaalsContact CG-CD1 3.49Å; L343-I345 HydrophobicContact CD1-CD1 3.98Å; L343-I345 HydrophobicContact CD2-CD1 4.13Å; L343-I345 HydrophobicContact CG-CD1 3.99Å; L343-I345 HydrophobicContact CG-CG1 4.45Å; I345-E347 HydrophobicContact CG2-CG 4.4Å; I345-Y355 CarbonylContact O-C 3.54Å; I345-Y355 WeakPolarHBondContact O-CA 3.45Å; I345-Y355 WeakPolarHBondContact O-CB 3.27Å; I345-S356 PolarHBondContact N-O 3.04Å; I345-S356 PolarHBondContact O-N 2.88Å; I345-Q358 HydrophobicContact CB-CG 3.97Å; I345-Q358 HydrophobicContact CG1-CB 3.75Å; I345-Q358 HydrophobicContact CG1-CG 3.44Å; I345-Q358 VanDerWaalsContact CG1-CG 3.44Å; I345-W367 HydrophobicContact CB-CZ2 4.25Å; I345-W367 HydrophobicContact CD1-CD2 3.89Å; I345-W367 HydrophobicContact CD1-CG 4.29Å; I345-W367 HydrophobicContact CD1-CH2 4.34Å; I345-W367 HydrophobicContact CD1-CZ2 3.65Å; I345-W367 HydrophobicContact CG1-CD2 4.21Å; I345-W367 HydrophobicContact CG1-CE3 4.44Å; I345-W367 HydrophobicContact CG1-CH2 3.72Å; I345-W367 HydrophobicContact CG1-CZ2 3.44Å; I345-W367 VanDerWaalsContact CG1-CZ2 3.44Å; I345-W367 HydrophobicContact CG1-CZ3 4.21Å; I345-W367 HydrophobicContact CG2-CZ2 3.94Å; I345-H375 PolarHBondContact O-CE1 3.17Å
346V98.9Very high98.3Very high0 Ų034.1 Ų34.10%018%0.178CC..EExtended strand (participates in β ladder)trans-126.2126-177.3-172.90000108.3W308 A309 F312 Q323 Y324 V353 E354W308-V346 HydrophobicContact CE3-CG2 3.94Å; W308-V346 HydrophobicContact CZ3-CB 3.99Å; W308-V346 HydrophobicContact CZ3-CG1 4.07Å; W308-V346 HydrophobicContact CZ3-CG2 3.92Å; A309-V346 HydrophobicContact CB-CB 4.46Å; A309-V346 HydrophobicContact CB-CG1 4.18Å; A309-V346 HydrophobicContact CB-CG2 3.45Å; A309-V346 VanDerWaalsContact CB-CG2 3.45Å; F312-V346 HydrophobicContact CD1-CG1 4.06Å; Q323-V346 CarbonylContact C-O 3.49Å; Q323-V346 WeakPolarHBondContact CA-O 3.32Å; Y324-V346 HydrophobicContact CD2-CB 4.47Å; Y324-V346 PolarHBondContact N-O 3.3Å; Y324-V346 PolarHBondContact O-N 3.45Å; V346-V353 HydrophobicContact CG1-CG1 3.65Å; V346-E354 CarbonylContact C-O 3.59Å; V346-E354 WeakPolarHBondContact CA-O 3.39Å
347E98.8Very high98.4Very high0 Ų028.5 Ų28.50%016%0.156CC..EExtended strand (participates in β ladder)trans-126.8135.1-179.1-70.7-175.3152.100111.3N322 Q323 I345 V353 E354 P373 F374 H375 I378N322-E347 VanDerWaalsContact O-CA 3.32Å; N322-E347 WeakPolarHBondContact O-CA 3.38Å; Q323-E347 HydrophobicContact CB-CG 3.85Å; Q323-E347 HydrophobicContact CG-CG 3.78Å; Q323-E347 WeakPolarHBondContact CG-OE1 3.38Å; Q323-E347 PolarHBondContact NE2-OE1 2.7Å; I345-E347 HydrophobicContact CG2-CG 4.4Å; E347-V353 CarbonylContact O-C 3.6Å; E347-V353 VanDerWaalsContact O-CA 3.31Å; E347-V353 WeakPolarHBondContact O-CA 3.48Å; E347-E354 PolarHBondContact N-O 2.72Å; E347-E354 PolarHBondContact O-N 2.84Å; E347-P373 VanDerWaalsContact OE1-CA 3.26Å; E347-P373 WeakPolarHBondContact OE1-CA 3.41Å; E347-F374 PolarHBondContact OE1-N 3.13Å; E347-F374 PolarHBondContact OE2-N 3.36Å; E347-H375 WeakPolarHBondContact OE2-CB 3.33Å; E347-H375 IonicContact OE2-CE1 3.53Å; E347-H375 IonicContact OE2-CG 3.46Å; E347-H375 PolarHBondContact OE2-N 3.45Å; E347-H375 IonicContact OE2-ND1 2.71Å; E347-H375 PolarHBondContact OE2-ND1 3.35Å; E347-I378 HydrophobicContact CB-CB 4.5Å; E347-I378 HydrophobicContact CB-CG1 3.98Å; E347-I378 HydrophobicContact CB-CG2 4.27Å
348Q97.4Very high98.4Very high0 Ų028.1 Ų28.10%015%0.15CC..EExtended strand (participates in β ladder)trans-119.7141.9-179.6175.6-168.2-62.500111.3R294 F312 N316 T319 N321 N322 V353R294-Q348 VanDerWaalsContact NH2-CD 3.32Å; F312-Q348 HydrophobicContact CE1-CB 4.17Å; F312-Q348 VanDerWaalsContact CE1-OE1 3.26Å; N316-Q348 VanDerWaalsContact OD1-CG 3.26Å; N316-Q348 WeakPolarHBondContact OD1-CG 3.46Å; N316-Q348 PolarHBondContact OD1-NE2 3.25Å; N316-Q348 PolarHBondContact OD1-OE1 2.86Å; T319-Q348 PolarHBondContact O-NE2 2.74Å; N321-Q348 WeakPolarHBondContact CB-O 3.49Å; N321-Q348 PolarHBondContact OD1-NE2 2.73Å; N321-Q348 VanDerWaalsContact OD1-NE2 3.16Å; N322-Q348 PolarHBondContact O-N 2.9Å; N322-Q348 VanDerWaalsContact O-N 3.14Å; Q348-V353 HydrophobicContact CB-CG2 4.1Å; Q348-V353 HydrophobicContact CG-CG2 4Å
349I97.8Very high98.5Very high1 Ų128 Ų281%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-132.6173.7158.659.7-176.5000108.4V275 L280 N316 N321 T351 L352 I378 L381 S382V275-I349 HydrophobicContact CG2-CB 4.45Å; V275-I349 HydrophobicContact CG2-CG2 4.04Å; L280-I349 HydrophobicContact CD2-CB 4.01Å; L280-I349 HydrophobicContact CD2-CD1 3.73Å; L280-I349 HydrophobicContact CD2-CG1 4.06Å; N316-I349 PolarHBondContact ND2-O 3.14Å; N321-I349 VanDerWaalsContact OD1-CA 3.31Å; N321-I349 WeakPolarHBondContact OD1-CA 2.97Å; I349-T351 PolarHBondContact O-N 3.4Å; I349-L352 HydrophobicContact CD1-CB 4.28Å; I349-L352 HydrophobicContact CD1-CD2 4.16Å; I349-L352 HydrophobicContact CG1-CB 3.86Å; I349-L352 PolarHBondContact N-O 3.35Å; I349-L352 PolarHBondContact O-N 3.07Å; I349-I378 HydrophobicContact CD1-CD1 3.88Å; I349-I378 HydrophobicContact CG1-CD1 3.89Å; I349-I378 HydrophobicContact CG2-CD1 4.44Å; I349-I378 HydrophobicContact CG2-CG2 3.65Å; I349-L381 HydrophobicContact CD1-CB 3.64Å; I349-L381 HydrophobicContact CD1-CD1 4.11Å; I349-S382 WeakPolarHBondContact CG2-OG 3.4Å
350P97.4Very high98.5Very high1 Ų130.9 Ų30.91%0.00617%0.165CC..THydrogen-bonded Turntrans-52.3138.2169.7-22.930.1000111.5L280 L281 Q283 V284 G318 L352L280-P350 HydrophobicContact CD1-CB 4.09Å; L280-P350 WeakPolarHBondContact CD1-O 3.26Å; L280-P350 HydrophobicContact CG-CB 3.89Å; L280-P350 HydrophobicContact CG-CG 3.95Å; L280-P350 WeakPolarHBondContact O-CB 3.33Å; L281-P350 HydrophobicContact CD2-CG 4.31Å; Q283-P350 HydrophobicContact CB-CB 4.38Å; V284-P350 HydrophobicContact CG2-CG 4.35Å; G318-P350 VanDerWaalsContact CA-CA 3.43Å; P350-L352 PolarHBondContact O-N 2.98Å
351T96Very high98.4Very high103 Ų10328.3 Ų28.363%0.63215%0.152SC*.THydrogen-bonded Turntrans67.4-11.6179.8760000117.4Q283 I349Q283-T351 HydrophobicContact CB-CG2 3.78Å; Q283-T351 HydrophobicContact CG-CG2 4.07Å; I349-T351 PolarHBondContact O-N 3.4Å
352L98.3Very high98.4Very high34 Ų3427.7 Ų27.718%0.17815%0.146CC..EExtended strand (participates in β ladder)trans-139.8133.2-173.417964.8000112.3N316 I349 P350 E354 K377 I378 L381N316-L352 PolarHBondContact ND2-N 2.76Å; I349-L352 HydrophobicContact CD1-CB 4.28Å; I349-L352 HydrophobicContact CD1-CD2 4.16Å; I349-L352 HydrophobicContact CG1-CB 3.86Å; I349-L352 PolarHBondContact N-O 3.35Å; I349-L352 PolarHBondContact O-N 3.07Å; P350-L352 PolarHBondContact O-N 2.98Å; L352-E354 HydrophobicContact CD1-CG 3.99Å; L352-E354 HydrophobicContact CD2-CG 4.12Å; L352-E354 HydrophobicContact CG-CG 4.02Å; L352-K377 HydrophobicContact CD2-CG 4.21Å; L352-I378 HydrophobicContact CD2-CD1 3.79Å; L352-I378 HydrophobicContact CG-CD1 3.97Å; L352-L381 HydrophobicContact CD2-CD1 3.68Å
353V98.7Very high98.4Very high23 Ų2331.2 Ų31.214%0.13916%0.159CC..EExtended strand (participates in β ladder)trans-123.1127.3164.9-177.50000107.8F312 S313 N316 V346 E347 Q348F312-V353 HydrophobicContact CD1-CG1 4.34Å; S313-V353 WeakPolarHBondContact OG-CG1 3.49Å; N316-V353 HydrophobicContact CB-CG2 4.17Å; V346-V353 HydrophobicContact CG1-CG1 3.65Å; E347-V353 CarbonylContact O-C 3.6Å; E347-V353 VanDerWaalsContact O-CA 3.31Å; E347-V353 WeakPolarHBondContact O-CA 3.48Å; Q348-V353 HydrophobicContact CB-CG2 4.1Å; Q348-V353 HydrophobicContact CG-CG2 4Å
354E98.7Very high98.4Very high38 Ų3839.6 Ų39.618%0.17820%0.196CC..EExtended strand (participates in β ladder)trans-115.4143.5173.4-69.2-166.2171.900110.2V346 E347 L352 K377 I378V346-E354 CarbonylContact C-O 3.59Å; V346-E354 WeakPolarHBondContact CA-O 3.39Å; E347-E354 PolarHBondContact N-O 2.72Å; E347-E354 PolarHBondContact O-N 2.84Å; L352-E354 HydrophobicContact CD1-CG 3.99Å; L352-E354 HydrophobicContact CD2-CG 4.12Å; L352-E354 HydrophobicContact CG-CG 4.02Å; E354-K377 WeakPolarHBondContact OE1-CB 3.28Å; E354-K377 WeakPolarHBondContact OE1-CD 3.29Å; E354-K377 WeakPolarHBondContact OE1-CE 3.36Å; E354-K377 WeakPolarHBondContact OE1-CG 3.31Å; E354-K377 IonicContact OE1-NZ 2.68Å; E354-K377 PolarHBondContact OE1-NZ 2.9Å; E354-I378 HydrophobicContact CB-CD1 4.15Å; E354-I378 HydrophobicContact CB-CG1 4Å; E354-I378 HydrophobicContact CG-CD1 3.97Å; E354-I378 HydrophobicContact CG-CG1 4.13Å
355Y98.8Very high98.3Very high85 Ų8538.3 Ų38.333%0.33319%0.194SC..EExtended strand (participates in β ladder)trans-148.2149.8176.856.4-95.4000112.3A309 E310 Y344 I345A309-Y355 HydrophobicContact CB-CD1 3.6Å; A309-Y355 HydrophobicContact CB-CD2 3.79Å; A309-Y355 HydrophobicContact CB-CE1 4.14Å; A309-Y355 HydrophobicContact CB-CE2 4.31Å; A309-Y355 HydrophobicContact CB-CG 3.4Å; A309-Y355 VanDerWaalsContact CB-CG 3.4Å; E310-Y355 WeakPolarHBondContact CG-OH 3.42Å; Y344-Y355 HydrophobicContact CD1-CD2 4.2Å; Y344-Y355 AromaticContact CE1-CD2 3.98Å; Y344-Y355 HydrophobicContact CE1-CD2 3.98Å; I345-Y355 CarbonylContact O-C 3.54Å; I345-Y355 WeakPolarHBondContact O-CA 3.45Å; I345-Y355 WeakPolarHBondContact O-CB 3.27Å
356S98.8Very high98.3Very high30 Ų3040.8 Ų40.821%0.2120%0.204CC..EExtended strand (participates in β ladder)trans-152.6154.5179.759.90000112.2Y344 I345 Q358 H375Y344-S356 WeakPolarHBondContact CA-O 3.45Å; I345-S356 PolarHBondContact N-O 3.04Å; I345-S356 PolarHBondContact O-N 2.88Å; S356-Q358 PolarHBondContact O-N 2.89Å; S356-Q358 PolarHBondContact OG-NE2 3.01Å; S356-H375 PolarHBondContact OG-NE2 3.28Å
357D98.9Very high98.3Very high50 Ų5040.9 Ų40.927%0.26720%0.204SC..EExtended strand (participates in β ladder)trans-77.6117171.5-175.2-9.2000109.9G341 Y344 T359G341-D357 WeakPolarHBondContact CA-OD2 3.42Å; G341-D357 PolarHBondContact N-OD2 3Å; Y344-D357 HydrophobicContact CD2-CB 4.23Å; Y344-D357 HydrophobicContact CE2-CB 3.7Å; D357-T359 WeakPolarHBondContact OD1-CB 3.44Å; D357-T359 PolarHBondContact OD1-N 3.03Å; D357-T359 PolarHBondContact OD1-OG1 2.89Å
358Q98.8Very high98.3Very high26 Ų2641.4 Ų41.412%0.12121%0.208CC..  trans-109.720.6180-62.9-57.7-41.500112.8L343 I345 S356 N360 V361 L362 W367 F374L343-Q358 HydrophobicContact CD2-CB 4.34Å; L343-Q358 HydrophobicContact CG-CB 4.47Å; L343-Q358 PolarHBondContact O-N 3.24Å; I345-Q358 HydrophobicContact CB-CG 3.97Å; I345-Q358 HydrophobicContact CG1-CB 3.75Å; I345-Q358 HydrophobicContact CG1-CG 3.44Å; I345-Q358 VanDerWaalsContact CG1-CG 3.44Å; S356-Q358 PolarHBondContact O-N 2.89Å; S356-Q358 PolarHBondContact OG-NE2 3.01Å; Q358-N360 PolarHBondContact O-N 3.37Å; Q358-V361 PolarHBondContact O-N 3.24Å; Q358-V361 VanDerWaalsContact OE1-CG2 3.28Å; Q358-L362 PolarHBondContact O-N 3.39Å; Q358-W367 HydrophobicContact CB-CE3 3.91Å; Q358-W367 HydrophobicContact CB-CH2 4.17Å; Q358-W367 HydrophobicContact CB-CZ3 3.55Å; Q358-W367 HydrophobicContact CG-CE3 4.43Å; Q358-W367 HydrophobicContact CG-CH2 3.76Å; Q358-W367 HydrophobicContact CG-CZ3 3.61Å; Q358-F374 HydrophobicContact CG-CE1 4.14Å
359T98.9Very high98.4Very high0 Ų041.5 Ų41.50%021%0.208CC..Hα-helixtrans-55.5-37.5174.5-570000111.8L338 D339 G341 A342 L343 D357 V361 L362 R363L338-T359 HydrophobicContact CB-CG2 4.04Å; D339-T359 WeakPolarHBondContact O-CG2 3.32Å; G341-T359 PolarHBondContact N-OG1 2.82Å; A342-T359 HydrophobicContact CB-CG2 3.94Å; A342-T359 PolarHBondContact N-OG1 2.96Å; L343-T359 PolarHBondContact N-OG1 3.16Å; L343-T359 VanDerWaalsContact N-OG1 3.14Å; D357-T359 WeakPolarHBondContact OD1-CB 3.44Å; D357-T359 PolarHBondContact OD1-N 3.03Å; D357-T359 PolarHBondContact OD1-OG1 2.89Å; T359-V361 VanDerWaalsContact C-N 3.31Å; T359-V361 PolarHBondContact O-N 3.17Å; T359-L362 PolarHBondContact O-N 3.33Å; T359-R363 HydrophobicContact CG2-CG 4.44Å; T359-R363 WeakPolarHBondContact O-CG 3.35Å; T359-R363 PolarHBondContact O-N 2.66Å
360N98.6Very high98.3Very high108 Ų10842 Ų4258%0.57821%0.21SC*.Hα-helixtrans-62.3-34.9177.1-81.3-35.3000113.6Q358 R363Q358-N360 PolarHBondContact O-N 3.37Å; N360-R363 PolarHBondContact OD1-NH1 2.93Å
361V98.4Very high98.1Very high46 Ų4642.2 Ų42.228%0.27921%0.211SC..Hα-helixtrans-72.2-45173.4178.30000109.4Q358 T359 R363 K364 W367Q358-V361 PolarHBondContact O-N 3.24Å; Q358-V361 VanDerWaalsContact OE1-CG2 3.28Å; T359-V361 VanDerWaalsContact C-N 3.31Å; T359-V361 PolarHBondContact O-N 3.17Å; V361-R363 VanDerWaalsContact C-N 3.29Å; V361-R363 PolarHBondContact O-N 2.54Å; V361-K364 VanDerWaalsContact O-CB 3.27Å; V361-K364 WeakPolarHBondContact O-CB 3.09Å; V361-K364 PolarHBondContact O-N 3.38Å; V361-W367 HydrophobicContact CB-CE3 4.04Å; V361-W367 HydrophobicContact CB-CZ3 4.02Å; V361-W367 HydrophobicContact CG1-CE3 3.74Å; V361-W367 HydrophobicContact CG1-CZ3 3.91Å; V361-W367 HydrophobicContact CG2-CZ3 4.23Å
362L98.6Very high98Very high0 Ų037.9 Ų37.90%018%0.184CC..Hα-helixtrans-60.7-35.8-178.9-173.661.5000113I201 V203 I210 L327 L338 L343 Q358 T359 K364 G365 W367I201-L362 HydrophobicContact CB-CD1 4.18Å; I201-L362 HydrophobicContact CG2-CD1 3.73Å; I201-L362 HydrophobicContact CG2-CD2 4.36Å; V203-L362 HydrophobicContact CG2-CD1 3.59Å; V203-L362 HydrophobicContact CG2-CD2 4.38Å; V203-L362 HydrophobicContact CG2-CG 3.69Å; I210-L362 HydrophobicContact CD1-CD2 4.08Å; L327-L362 HydrophobicContact CD1-CD2 3.92Å; L338-L362 HydrophobicContact CD1-CB 4.46Å; L338-L362 HydrophobicContact CD1-CD2 3.95Å; L338-L362 HydrophobicContact CD1-CG 3.85Å; L343-L362 HydrophobicContact CB-CD2 3.86Å; L343-L362 HydrophobicContact CD2-CB 4.08Å; L343-L362 HydrophobicContact CD2-CD1 4.41Å; L343-L362 HydrophobicContact CD2-CD2 4.09Å; L343-L362 HydrophobicContact CD2-CG 4.41Å; Q358-L362 PolarHBondContact O-N 3.39Å; T359-L362 PolarHBondContact O-N 3.33Å; L362-K364 PolarHBondContact O-N 3.39Å; L362-K364 VanDerWaalsContact O-N 3.15Å; L362-G365 WeakPolarHBondContact O-CA 3.19Å; L362-G365 PolarHBondContact O-N 2.72Å; L362-W367 HydrophobicContact CD1-CB 4.3Å
363R98.5Very high98Very high74 Ų7436.3 Ų36.328%0.27918%0.176SC..THydrogen-bonded Turntrans-57.4-24.3173-74.7172.1-174.2134.41.9113.3L338 D340 T359 N360 V361 G365L338-R363 HydrophobicContact CB-CG 4.17Å; L338-R363 HydrophobicContact CD1-CG 4.37Å; L338-R363 VanDerWaalsContact O-CZ 3.25Å; L338-R363 PolarHBondContact O-NE 3.1Å; L338-R363 PolarHBondContact O-NH2 3.13Å; D340-R363 IonicContact OD1-CZ 3.81Å; D340-R363 VanDerWaalsContact OD1-CZ 3.27Å; D340-R363 IonicContact OD1-NH1 3.8Å; D340-R363 PolarHBondContact OD1-NH1 3.39Å; D340-R363 IonicContact OD1-NH2 2.62Å; D340-R363 PolarHBondContact OD1-NH2 3.5Å; T359-R363 HydrophobicContact CG2-CG 4.44Å; T359-R363 WeakPolarHBondContact O-CG 3.35Å; T359-R363 PolarHBondContact O-N 2.66Å; N360-R363 PolarHBondContact OD1-NH1 2.93Å; V361-R363 VanDerWaalsContact C-N 3.29Å; V361-R363 PolarHBondContact O-N 2.54Å; R363-G365 PolarHBondContact O-N 3.05Å
364K97.9Very high98Very high176 Ų17638.1 Ų38.177%0.76518%0.182SC*.THydrogen-bonded Turntrans-77-7.4175-57.3178.1-1791770112.9V361 L362V361-K364 VanDerWaalsContact O-CB 3.27Å; V361-K364 WeakPolarHBondContact O-CB 3.09Å; V361-K364 PolarHBondContact O-N 3.38Å; L362-K364 PolarHBondContact O-N 3.39Å; L362-K364 VanDerWaalsContact O-N 3.15Å
365G98.3Very high98Very high10 Ų1037.2 Ų37.210%0.10318%0.178CC..THydrogen-bonded Turntrans128.1-18.4164.800000114.9K202 V203 L362 R363K202-G365 WeakPolarHBondContact CD-O 3.49Å; K202-G365 PolarHBondContact NZ-O 3.16Å; V203-G365 PolarHBondContact N-O 3.29Å; L362-G365 WeakPolarHBondContact O-CA 3.19Å; L362-G365 PolarHBondContact O-N 2.72Å; R363-G365 PolarHBondContact O-N 3.05Å
366Y98.8Very high97.9Very high51 Ų5140.2 Ų40.220%0.220%0.195CC..EExtended strand (participates in β ladder)trans-162.5160.6179.574.9-69.4000114.3L200 I201 P368 R407 Q410L200-Y366 HydrophobicContact CD1-CD2 3.8Å; L200-Y366 HydrophobicContact CD1-CG 4.39Å; I201-Y366 CarbonylContact O-C 3.54Å; I201-Y366 WeakPolarHBondContact O-CA 3.5Å; I201-Y366 WeakPolarHBondContact O-CB 3.37Å; Y366-P368 HydrophobicContact CD2-CB 4.19Å; Y366-P368 HydrophobicContact CD2-CG 4.07Å; Y366-P368 HydrophobicContact CE2-CB 4.05Å; Y366-P368 HydrophobicContact CE2-CG 3.67Å; Y366-R407 WeakPolarHBondContact OH-CA 3.44Å; Y366-Q410 HydrophobicContact CD1-CB 4.43Å; Y366-Q410 HydrophobicContact CD1-CG 3.51Å; Y366-Q410 HydrophobicContact CD2-CB 4.06Å; Y366-Q410 HydrophobicContact CD2-CG 3.84Å; Y366-Q410 HydrophobicContact CE1-CG 3.6Å; Y366-Q410 HydrophobicContact CE2-CB 4.4Å; Y366-Q410 HydrophobicContact CE2-CG 3.92Å; Y366-Q410 HydrophobicContact CG-CB 4.08Å; Y366-Q410 HydrophobicContact CG-CG 3.65Å
367W98.9Very high97.9Very high2 Ų244 Ų441%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-127.7116.2164.3-178.5-87.2000109.7L200 I201 L343 I345 Q358 V361 L362 F374L200-W367 WeakPolarHBondContact CA-O 3.42Å; I201-W367 HydrophobicContact CB-CB 4.3Å; I201-W367 PolarHBondContact N-O 3.46Å; I201-W367 PolarHBondContact O-N 3.2Å; L343-W367 HydrophobicContact CD2-CB 3.71Å; L343-W367 HydrophobicContact CD2-CD2 4.01Å; L343-W367 HydrophobicContact CD2-CE3 4.18Å; L343-W367 HydrophobicContact CD2-CG 3.78Å; I345-W367 HydrophobicContact CB-CZ2 4.25Å; I345-W367 HydrophobicContact CD1-CD2 3.89Å; I345-W367 HydrophobicContact CD1-CG 4.29Å; I345-W367 HydrophobicContact CD1-CH2 4.34Å; I345-W367 HydrophobicContact CD1-CZ2 3.65Å; I345-W367 HydrophobicContact CG1-CD2 4.21Å; I345-W367 HydrophobicContact CG1-CE3 4.44Å; I345-W367 HydrophobicContact CG1-CH2 3.72Å; I345-W367 HydrophobicContact CG1-CZ2 3.44Å; I345-W367 VanDerWaalsContact CG1-CZ2 3.44Å; I345-W367 HydrophobicContact CG1-CZ3 4.21Å; I345-W367 HydrophobicContact CG2-CZ2 3.94Å; Q358-W367 HydrophobicContact CB-CE3 3.91Å; Q358-W367 HydrophobicContact CB-CH2 4.17Å; Q358-W367 HydrophobicContact CB-CZ3 3.55Å; Q358-W367 HydrophobicContact CG-CE3 4.43Å; Q358-W367 HydrophobicContact CG-CH2 3.76Å; Q358-W367 HydrophobicContact CG-CZ3 3.61Å; V361-W367 HydrophobicContact CB-CE3 4.04Å; V361-W367 HydrophobicContact CB-CZ3 4.02Å; V361-W367 HydrophobicContact CG1-CE3 3.74Å; V361-W367 HydrophobicContact CG1-CZ3 3.91Å; V361-W367 HydrophobicContact CG2-CZ3 4.23Å; L362-W367 HydrophobicContact CD1-CB 4.3Å; W367-F374 HydrophobicContact CH2-CB 4.32Å; W367-F374 AromaticContact CH2-CD1 3.73Å; W367-F374 HydrophobicContact CH2-CD1 3.73Å; W367-F374 AromaticContact CH2-CD2 3.61Å; W367-F374 HydrophobicContact CH2-CD2 3.61Å; W367-F374 AromaticContact CH2-CE1 3.85Å; W367-F374 HydrophobicContact CH2-CE1 3.85Å; W367-F374 AromaticContact CH2-CE2 3.72Å; W367-F374 HydrophobicContact CH2-CE2 3.72Å; W367-F374 AromaticContact CH2-CG 3.59Å; W367-F374 HydrophobicContact CH2-CG 3.59Å; W367-F374 AromaticContact CH2-CZ 3.84Å; W367-F374 HydrophobicContact CH2-CZ 3.84Å; W367-F374 HydrophobicContact CZ2-CB 4.22Å; W367-F374 HydrophobicContact CZ2-CD1 4.31Å; W367-F374 HydrophobicContact CZ2-CD2 4.25Å; W367-F374 AromaticContact CZ2-CG 3.99Å; W367-F374 HydrophobicContact CZ2-CG 3.99Å; W367-F374 HydrophobicContact CZ3-CE2 4.25Å; W367-F374 HydrophobicContact CZ3-CZ 4.28Å
368P98.4Very high97.9Very high12 Ų1241.6 Ų41.68%0.07820%0.195CC..EExtended strand (participates in β ladder)trans-93.8154173.639-34.9000111.8Y366 Y370 F406Y366-P368 HydrophobicContact CD2-CB 4.19Å; Y366-P368 HydrophobicContact CD2-CG 4.07Å; Y366-P368 HydrophobicContact CE2-CB 4.05Å; Y366-P368 HydrophobicContact CE2-CG 3.67Å; P368-Y370 HydrophobicContact CB-CD1 4.03Å; P368-Y370 HydrophobicContact CB-CE1 3.75Å; P368-Y370 HydrophobicContact CG-CE1 3.76Å; P368-F406 HydrophobicContact CB-CB 4.04Å; P368-F406 HydrophobicContact CB-CD2 3.84Å; P368-F406 HydrophobicContact CB-CE2 4.46Å; P368-F406 HydrophobicContact CB-CG 4Å
369S98.3Very high97.8Very high2 Ų242 Ų421%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-141.6137.1170.1-164.50000110.5S198 A199 T271 Q323 M325S198-S369 WeakPolarHBondContact CA-O 3.35Å; A199-S369 PolarHBondContact N-O 3.35Å; A199-S369 PolarHBondContact O-N 2.8Å; T271-S369 WeakPolarHBondContact CG2-OG 3.36Å; T271-S369 PolarHBondContact OG1-OG 2.88Å; Q323-S369 VanDerWaalsContact OE1-CB 3.29Å; Q323-S369 PolarHBondContact OE1-OG 2.91Å; M325-S369 VanDerWaalsContact SD-CB 3.53Å
370Y95.6Very high97.8Very high10 Ų1045.6 Ų45.64%0.03921%0.214CC..  trans-159.141.6-166.843.2-102.6000113.7P368 I372 Y397 R402 A403 F406P368-Y370 HydrophobicContact CB-CD1 4.03Å; P368-Y370 HydrophobicContact CB-CE1 3.75Å; P368-Y370 HydrophobicContact CG-CE1 3.76Å; Y370-I372 VanDerWaalsContact C-N 3.34Å; Y370-I372 HydrophobicContact CD2-CB 4.32Å; Y370-I372 HydrophobicContact CD2-CD1 4.2Å; Y370-I372 HydrophobicContact CD2-CG1 4.24Å; Y370-I372 HydrophobicContact CE2-CB 4.32Å; Y370-I372 HydrophobicContact CE2-CD1 4.3Å; Y370-I372 PolarHBondContact O-N 2.77Å; Y370-Y397 HydrophobicContact CE2-CD2 4.13Å; Y370-Y397 HydrophobicContact CE2-CE2 4.21Å; Y370-Y397 VanDerWaalsContact CE2-O 3.3Å; Y370-Y397 WeakPolarHBondContact CE2-O 3.48Å; Y370-Y397 PolarHBondContact OH-O 3.32Å; Y370-R402 HydrophobicContact CD1-CB 4.49Å; Y370-R402 HydrophobicContact CG-CB 4.12Å; Y370-R402 PolarHBondContact O-NH2 3.31Å; Y370-A403 HydrophobicContact CD2-CB 4.5Å; Y370-A403 HydrophobicContact CE1-CB 3.88Å; Y370-A403 HydrophobicContact CE2-CB 3.79Å; Y370-A403 VanDerWaalsContact CZ-CB 3.43Å; Y370-A403 WeakPolarHBondContact OH-CB 3.49Å; Y370-F406 AromaticContact CD1-CD2 3.91Å; Y370-F406 HydrophobicContact CD1-CD2 3.91Å; Y370-F406 HydrophobicContact CD1-CE2 4.22Å
371N93.6Very high97.7Very high6 Ų644 Ų443%0.03221%0.206CC..SBendtrans65.526.1173.4-48.2107.6000116.2H196 C197 T271 T272 Y384 R402H196-N371 WeakPolarHBondContact CA-ND2 3.27Å; H196-N371 VanDerWaalsContact CA-OD1 3.26Å; H196-N371 WeakPolarHBondContact CA-OD1 3.21Å; H196-N371 WeakPolarHBondContact CB-OD1 3.37Å; C197-N371 VanDerWaalsContact N-CG 3.3Å; C197-N371 PolarHBondContact N-ND2 3.23Å; C197-N371 PolarHBondContact N-OD1 2.79Å; C197-N371 PolarHBondContact O-OD1 3.49Å; T271-N371 PolarHBondContact OG1-N 3.35Å; T272-N371 PolarHBondContact N-ND2 2.9Å; T272-N371 VanDerWaalsContact N-ND2 3.14Å; T272-N371 WeakPolarHBondContact O-CA 3.38Å; T272-N371 WeakPolarHBondContact O-CB 3.33Å; T272-N371 VanDerWaalsContact O-CG 3.3Å; T272-N371 PolarHBondContact O-ND2 2.92Å; N371-Y384 PolarHBondContact O-OH 2.75Å; N371-R402 PolarHBondContact OD1-NH1 3.46Å; N371-R402 PolarHBondContact OD1-NH2 3.01Å
372I95.3Very high97.6Very high12 Ų1241.8 Ų41.86%0.06219%0.192CC..SBendtrans-129.5127.4172.9-55.1177.9000107.5N273 Y370 Y379 Y384 S396 Y397 A400N273-I372 VanDerWaalsContact OD1-C 3.3Å; N273-I372 PolarHBondContact OD1-N 3.18Å; Y370-I372 VanDerWaalsContact C-N 3.34Å; Y370-I372 HydrophobicContact CD2-CB 4.32Å; Y370-I372 HydrophobicContact CD2-CD1 4.2Å; Y370-I372 HydrophobicContact CD2-CG1 4.24Å; Y370-I372 HydrophobicContact CE2-CB 4.32Å; Y370-I372 HydrophobicContact CE2-CD1 4.3Å; Y370-I372 PolarHBondContact O-N 2.77Å; I372-Y379 HydrophobicContact CG2-CD2 3.89Å; I372-Y379 HydrophobicContact CG2-CE2 3.74Å; I372-Y384 HydrophobicContact CB-CE1 4.29Å; I372-Y384 HydrophobicContact CG1-CE1 4.11Å; I372-Y384 HydrophobicContact CG2-CD1 3.97Å; I372-Y384 HydrophobicContact CG2-CE1 3.85Å; I372-S396 WeakPolarHBondContact CD1-O 3.43Å; I372-Y397 HydrophobicContact CB-CD2 4.2Å; I372-Y397 HydrophobicContact CG2-CD2 4.05Å; I372-Y397 HydrophobicContact CG2-CG 4.47Å; I372-A400 HydrophobicContact CD1-CB 3.54Å
373P96.9Very high97.4Very high1 Ų142.8 Ų42.81%0.00620%0.202CC..  trans-58.5138.5179.4-22.529.7000112.7N273 E347 I378 Y384 Y397N273-P373 HydrophobicContact CB-CG 3.93Å; E347-P373 VanDerWaalsContact OE1-CA 3.26Å; E347-P373 WeakPolarHBondContact OE1-CA 3.41Å; P373-I378 HydrophobicContact CB-CB 4.15Å; P373-I378 HydrophobicContact CB-CG2 3.66Å; P373-I378 HydrophobicContact CG-CG2 3.95Å; P373-Y384 HydrophobicContact CG-CD2 4.09Å; P373-Y384 HydrophobicContact CG-CE2 3.64Å; P373-Y397 WeakPolarHBondContact O-CD2 3.1Å
374F98.2Very high97.2Very high61 Ų6139.5 Ų39.527%0.26819%0.19SC..  trans-86.2-44.6175.7166.6-102000111.8E347 Q358 W367 E376 Y397E347-F374 PolarHBondContact OE1-N 3.13Å; E347-F374 PolarHBondContact OE2-N 3.36Å; Q358-F374 HydrophobicContact CG-CE1 4.14Å; W367-F374 HydrophobicContact CH2-CB 4.32Å; W367-F374 AromaticContact CH2-CD1 3.73Å; W367-F374 HydrophobicContact CH2-CD1 3.73Å; W367-F374 AromaticContact CH2-CD2 3.61Å; W367-F374 HydrophobicContact CH2-CD2 3.61Å; W367-F374 AromaticContact CH2-CE1 3.85Å; W367-F374 HydrophobicContact CH2-CE1 3.85Å; W367-F374 AromaticContact CH2-CE2 3.72Å; W367-F374 HydrophobicContact CH2-CE2 3.72Å; W367-F374 AromaticContact CH2-CG 3.59Å; W367-F374 HydrophobicContact CH2-CG 3.59Å; W367-F374 AromaticContact CH2-CZ 3.84Å; W367-F374 HydrophobicContact CH2-CZ 3.84Å; W367-F374 HydrophobicContact CZ2-CB 4.22Å; W367-F374 HydrophobicContact CZ2-CD1 4.31Å; W367-F374 HydrophobicContact CZ2-CD2 4.25Å; W367-F374 AromaticContact CZ2-CG 3.99Å; W367-F374 HydrophobicContact CZ2-CG 3.99Å; W367-F374 HydrophobicContact CZ3-CE2 4.25Å; W367-F374 HydrophobicContact CZ3-CZ 4.28Å; F374-E376 PolarHBondContact O-N 2.57Å; F374-Y397 HydrophobicContact CB-CE2 3.9Å; F374-Y397 HydrophobicContact CD2-CE1 4.09Å; F374-Y397 HydrophobicContact CD2-CE2 4.28Å; F374-Y397 AromaticContact CD2-CZ 3.69Å; F374-Y397 WeakPolarHBondContact CD2-OH 3.34Å
375H98.7Very high97.1Very high19 Ų1933.4 Ų33.49%0.08817%0.172CC..SBendtrans-69.5121.3-179.8-6094.2000108.8I345 E347 S356 K377 I378 Y379I345-H375 PolarHBondContact O-CE1 3.17Å; E347-H375 WeakPolarHBondContact OE2-CB 3.33Å; E347-H375 IonicContact OE2-CE1 3.53Å; E347-H375 IonicContact OE2-CG 3.46Å; E347-H375 PolarHBondContact OE2-N 3.45Å; E347-H375 IonicContact OE2-ND1 2.71Å; E347-H375 PolarHBondContact OE2-ND1 3.35Å; S356-H375 PolarHBondContact OG-NE2 3.28Å; H375-K377 PolarHBondContact O-N 2.72Å; H375-I378 HydrophobicContact CB-CB 4.25Å; H375-I378 HydrophobicContact CB-CG1 3.97Å; H375-I378 WeakPolarHBondContact O-CB 3.4Å; H375-I378 PolarHBondContact O-N 2.89Å; H375-Y379 PolarHBondContact O-N 3.05Å
376E98.2Very high96.8Very high149 Ų14936 Ų3670%0.69619%0.192SC*.Hα-helixtrans-55.9-38.4-173.9-178.4178.1-176.900112.6F374 Y379 N380F374-E376 PolarHBondContact O-N 2.57Å; E376-Y379 WeakPolarHBondContact O-CB 3.48Å; E376-Y379 PolarHBondContact O-N 3.2Å; E376-N380 WeakPolarHBondContact CG-ND2 2.94Å; E376-N380 WeakPolarHBondContact O-CB 3.37Å; E376-N380 VanDerWaalsContact O-CG 3.27Å; E376-N380 PolarHBondContact O-N 3.08Å; E376-N380 PolarHBondContact O-ND2 2.83Å
377K98.4Very high96.4Very high108 Ų10834.8 Ų34.847%0.4719%0.188SC..Hα-helixtrans-66-42177.6175.8155.8160.1-108.80112L352 E354 H375 L381L352-K377 HydrophobicContact CD2-CG 4.21Å; E354-K377 WeakPolarHBondContact OE1-CB 3.28Å; E354-K377 WeakPolarHBondContact OE1-CD 3.29Å; E354-K377 WeakPolarHBondContact OE1-CE 3.36Å; E354-K377 WeakPolarHBondContact OE1-CG 3.31Å; E354-K377 IonicContact OE1-NZ 2.68Å; E354-K377 PolarHBondContact OE1-NZ 2.9Å; H375-K377 PolarHBondContact O-N 2.72Å; K377-L381 HydrophobicContact CG-CD1 3.78Å; K377-L381 HydrophobicContact CG-CG 4.41Å; K377-L381 WeakPolarHBondContact O-CB 3.25Å; K377-L381 VanDerWaalsContact O-CG 3.27Å; K377-L381 WeakPolarHBondContact O-CG 3.12Å; K377-L381 PolarHBondContact O-N 3.48Å
378I98.4Very high96Very high0 Ų035.7 Ų35.70%019%0.193CC..Hα-helixtrans-62.6-48.4172.6-60.8-66.8000110.6E347 I349 L352 E354 P373 H375 N380 L381 S382E347-I378 HydrophobicContact CB-CB 4.5Å; E347-I378 HydrophobicContact CB-CG1 3.98Å; E347-I378 HydrophobicContact CB-CG2 4.27Å; I349-I378 HydrophobicContact CD1-CD1 3.88Å; I349-I378 HydrophobicContact CG1-CD1 3.89Å; I349-I378 HydrophobicContact CG2-CD1 4.44Å; I349-I378 HydrophobicContact CG2-CG2 3.65Å; L352-I378 HydrophobicContact CD2-CD1 3.79Å; L352-I378 HydrophobicContact CG-CD1 3.97Å; E354-I378 HydrophobicContact CB-CD1 4.15Å; E354-I378 HydrophobicContact CB-CG1 4Å; E354-I378 HydrophobicContact CG-CD1 3.97Å; E354-I378 HydrophobicContact CG-CG1 4.13Å; P373-I378 HydrophobicContact CB-CB 4.15Å; P373-I378 HydrophobicContact CB-CG2 3.66Å; P373-I378 HydrophobicContact CG-CG2 3.95Å; H375-I378 HydrophobicContact CB-CB 4.25Å; H375-I378 HydrophobicContact CB-CG1 3.97Å; H375-I378 WeakPolarHBondContact O-CB 3.4Å; H375-I378 PolarHBondContact O-N 2.89Å; I378-N380 VanDerWaalsContact C-N 3.33Å; I378-N380 PolarHBondContact O-N 2.03Å; I378-L381 PolarHBondContact O-N 3.42Å; I378-S382 VanDerWaalsContact O-CB 3.26Å; I378-S382 WeakPolarHBondContact O-CB 3.35Å; I378-S382 PolarHBondContact O-N 3.34Å; I378-S382 PolarHBondContact O-OG 2.83Å
379Y97.8Very high95.8Very high35 Ų3543.4 Ų43.414%0.13723%0.229CC..Hα-helixtrans-53.9-48.4178.5179.4-87.1000112.1I372 H375 E376 G383 Y384 A385 V388I372-Y379 HydrophobicContact CG2-CD2 3.89Å; I372-Y379 HydrophobicContact CG2-CE2 3.74Å; H375-Y379 PolarHBondContact O-N 3.05Å; E376-Y379 WeakPolarHBondContact O-CB 3.48Å; E376-Y379 PolarHBondContact O-N 3.2Å; Y379-G383 PolarHBondContact O-N 3.33Å; Y379-Y384 HydrophobicContact CD2-CD1 4.3Å; Y379-Y384 HydrophobicContact CD2-CD2 4.4Å; Y379-Y384 AromaticContact CD2-CG 3.88Å; Y379-Y384 HydrophobicContact CD2-CG 3.88Å; Y379-Y384 AromaticContact CE2-CD1 3.92Å; Y379-Y384 HydrophobicContact CE2-CD1 3.92Å; Y379-Y384 AromaticContact CE2-CG 3.78Å; Y379-Y384 HydrophobicContact CE2-CG 3.78Å; Y379-Y384 HydrophobicContact CG-CG 4.47Å; Y379-Y384 WeakPolarHBondContact O-CB 3.41Å; Y379-Y384 PolarHBondContact O-N 3.15Å; Y379-Y384 VanDerWaalsContact O-N 3.15Å; Y379-A385 HydrophobicContact CE1-CB 4.3Å; Y379-V388 VanDerWaalsContact OH-CG2 3.31Å; Y379-V388 WeakPolarHBondContact OH-CG2 3.38Å
380N97.7Very high95.5Very high75 Ų7550 Ų5040%0.40126%0.257SS..Hα-helixtrans-69.6-47.5-178.9-72.9-26.5000112.2E376 I378 S382 G383E376-N380 WeakPolarHBondContact CG-ND2 2.94Å; E376-N380 WeakPolarHBondContact O-CB 3.37Å; E376-N380 VanDerWaalsContact O-CG 3.27Å; E376-N380 PolarHBondContact O-N 3.08Å; E376-N380 PolarHBondContact O-ND2 2.83Å; I378-N380 VanDerWaalsContact C-N 3.33Å; I378-N380 PolarHBondContact O-N 2.03Å; N380-S382 VanDerWaalsContact C-N 3.3Å; N380-S382 PolarHBondContact O-N 2.65Å; N380-G383 PolarHBondContact O-N 2.76Å
381L97.9Very high95.1Very high75 Ų7552.7 Ų52.739%0.39327%0.268SS..Hα-helixtrans-66.1-32.1-179.4-71.3173.9000112.8N277 I349 L352 K377 I378 G383N277-L381 VanDerWaalsContact CB-O 3.28Å; N277-L381 WeakPolarHBondContact CB-O 3.44Å; N277-L381 PolarHBondContact ND2-O 2.63Å; I349-L381 HydrophobicContact CD1-CB 3.64Å; I349-L381 HydrophobicContact CD1-CD1 4.11Å; L352-L381 HydrophobicContact CD2-CD1 3.68Å; K377-L381 HydrophobicContact CG-CD1 3.78Å; K377-L381 HydrophobicContact CG-CG 4.41Å; K377-L381 WeakPolarHBondContact O-CB 3.25Å; K377-L381 VanDerWaalsContact O-CG 3.27Å; K377-L381 WeakPolarHBondContact O-CG 3.12Å; K377-L381 PolarHBondContact O-N 3.48Å; I378-L381 PolarHBondContact O-N 3.42Å; L381-G383 PolarHBondContact O-N 3.33Å
382S95.6Very high94.9Very high0 Ų053.9 Ų53.90%028%0.281CS..THydrogen-bonded Turntrans-69.6-11.2171.7-75.10000113.9F276 N277 I349 I378 N380F276-S382 WeakPolarHBondContact CA-O 3.39Å; F276-S382 WeakPolarHBondContact CB-O 3.32Å; F276-S382 PolarHBondContact N-O 3.1Å; N277-S382 PolarHBondContact N-O 3.26Å; N277-S382 VanDerWaalsContact N-O 3.14Å; I349-S382 WeakPolarHBondContact CG2-OG 3.4Å; I378-S382 VanDerWaalsContact O-CB 3.26Å; I378-S382 WeakPolarHBondContact O-CB 3.35Å; I378-S382 PolarHBondContact O-N 3.34Å; I378-S382 PolarHBondContact O-OG 2.83Å; N380-S382 VanDerWaalsContact C-N 3.3Å; N380-S382 PolarHBondContact O-N 2.65Å
383G94.9Very high94.8Very high20 Ų2058.1 Ų58.121%0.20630%0.303CS..THydrogen-bonded Turntrans86.914.7177.200000115.3Y379 N380 L381 A385 Y387Y379-G383 PolarHBondContact O-N 3.33Å; N380-G383 PolarHBondContact O-N 2.76Å; L381-G383 PolarHBondContact O-N 3.33Å; G383-A385 VanDerWaalsContact C-N 3.31Å; G383-A385 PolarHBondContact O-N 3.35Å; G383-Y387 PolarHBondContact O-N 2.76Å; G383-Y387 VanDerWaalsContact O-N 3.15Å
384Y93.6Very high94.4Very high6 Ų660 Ų602%0.02431%0.313CS..Hα-helixtrans-64.9-32.7179.8-82.3-101.8000113S274 F276 N371 I372 P373 Y379 A386 Y387 V388S274-Y384 PolarHBondContact N-OH 3.07Å; S274-Y384 WeakPolarHBondContact O-CE2 3.35Å; F276-Y384 HydrophobicContact CD2-CD1 4.47Å; F276-Y384 HydrophobicContact CD2-CD2 4.04Å; F276-Y384 HydrophobicContact CD2-CE2 4.18Å; F276-Y384 HydrophobicContact CD2-CG 4.18Å; F276-Y384 AromaticContact CE2-CD1 3.72Å; F276-Y384 HydrophobicContact CE2-CD1 3.72Å; F276-Y384 AromaticContact CE2-CD2 3.95Å; F276-Y384 HydrophobicContact CE2-CD2 3.95Å; F276-Y384 AromaticContact CE2-CE1 3.62Å; F276-Y384 HydrophobicContact CE2-CE1 3.62Å; F276-Y384 AromaticContact CE2-CE2 3.84Å; F276-Y384 HydrophobicContact CE2-CE2 3.84Å; F276-Y384 AromaticContact CE2-CG 3.88Å; F276-Y384 HydrophobicContact CE2-CG 3.88Å; F276-Y384 AromaticContact CE2-CZ 3.67Å; F276-Y384 HydrophobicContact CZ-CE1 4.25Å; N371-Y384 PolarHBondContact O-OH 2.75Å; I372-Y384 HydrophobicContact CB-CE1 4.29Å; I372-Y384 HydrophobicContact CG1-CE1 4.11Å; I372-Y384 HydrophobicContact CG2-CD1 3.97Å; I372-Y384 HydrophobicContact CG2-CE1 3.85Å; P373-Y384 HydrophobicContact CG-CD2 4.09Å; P373-Y384 HydrophobicContact CG-CE2 3.64Å; Y379-Y384 HydrophobicContact CD2-CD1 4.3Å; Y379-Y384 HydrophobicContact CD2-CD2 4.4Å; Y379-Y384 AromaticContact CD2-CG 3.88Å; Y379-Y384 HydrophobicContact CD2-CG 3.88Å; Y379-Y384 AromaticContact CE2-CD1 3.92Å; Y379-Y384 HydrophobicContact CE2-CD1 3.92Å; Y379-Y384 AromaticContact CE2-CG 3.78Å; Y379-Y384 HydrophobicContact CE2-CG 3.78Å; Y379-Y384 HydrophobicContact CG-CG 4.47Å; Y379-Y384 WeakPolarHBondContact O-CB 3.41Å; Y379-Y384 PolarHBondContact O-N 3.15Å; Y379-Y384 VanDerWaalsContact O-N 3.15Å; Y384-A386 PolarHBondContact O-N 3.43Å; Y384-Y387 WeakPolarHBondContact O-CB 3.28Å; Y384-Y387 PolarHBondContact O-N 3.23Å; Y384-V388 WeakPolarHBondContact O-CB 3.47Å; Y384-V388 WeakPolarHBondContact O-CG2 3.25Å; Y384-V388 PolarHBondContact O-N 3.49Å
385A94.9Very high94Very high48 Ų4861.1 Ų61.140%0.39732%0.318SS..Hα-helixtrans-58.2-51.617900000111.9Y379 G383 Y387 V388 E389Y379-A385 HydrophobicContact CE1-CB 4.3Å; G383-A385 VanDerWaalsContact C-N 3.31Å; G383-A385 PolarHBondContact O-N 3.35Å; A385-Y387 VanDerWaalsContact C-N 3.31Å; A385-Y387 PolarHBondContact O-N 2.89Å; A385-V388 PolarHBondContact O-N 3.04Å; A385-E389 PolarHBondContact O-N 2.98Å
386A92.7Very high93.7Very high63 Ų6360.8 Ų60.852%0.52132%0.318SS..Hα-helixtrans-65-34.8175.500000112.2Y384 K390Y384-A386 PolarHBondContact O-N 3.43Å; A386-K390 WeakPolarHBondContact O-CB 3.35Å; A386-K390 PolarHBondContact O-N 2.94Å; A386-K390 VanDerWaalsContact O-N 3.14Å
387Y89.7Confident93.6Very high26 Ų2655.5 Ų55.510%0.10229%0.292CS..Hα-helixtrans-64.3-42.2176.2-161.4-86.6000111.7Y190 F276 G383 Y384 A385 K390 Y391 F395Y190-Y387 HydrophobicContact CD2-CE2 4.48Å; F276-Y387 AromaticContact CD1-CD2 3.88Å; F276-Y387 HydrophobicContact CD1-CD2 3.88Å; F276-Y387 AromaticContact CD1-CE2 3.95Å; F276-Y387 HydrophobicContact CD1-CE2 3.95Å; F276-Y387 AromaticContact CD2-CD2 3.94Å; F276-Y387 HydrophobicContact CD2-CD2 3.94Å; F276-Y387 AromaticContact CD2-CG 3.99Å; F276-Y387 HydrophobicContact CD2-CG 3.99Å; F276-Y387 AromaticContact CE1-CD2 3.98Å; F276-Y387 HydrophobicContact CE1-CD2 3.98Å; F276-Y387 AromaticContact CE1-CE2 3.77Å; F276-Y387 HydrophobicContact CE1-CE2 3.77Å; F276-Y387 HydrophobicContact CE2-CD1 4.21Å; F276-Y387 HydrophobicContact CE2-CD2 4.01Å; F276-Y387 HydrophobicContact CE2-CE2 4.49Å; F276-Y387 AromaticContact CE2-CG 3.85Å; F276-Y387 HydrophobicContact CE2-CG 3.85Å; F276-Y387 AromaticContact CG-CD2 3.86Å; F276-Y387 HydrophobicContact CG-CD2 3.86Å; F276-Y387 HydrophobicContact CG-CE2 4.41Å; F276-Y387 HydrophobicContact CG-CG 4.39Å; F276-Y387 HydrophobicContact CZ-CD1 4.3Å; F276-Y387 HydrophobicContact CZ-CD2 4.03Å; F276-Y387 HydrophobicContact CZ-CE1 4.34Å; F276-Y387 HydrophobicContact CZ-CE2 4.05Å; F276-Y387 HydrophobicContact CZ-CG 4.16Å; G383-Y387 PolarHBondContact O-N 2.76Å; G383-Y387 VanDerWaalsContact O-N 3.15Å; Y384-Y387 WeakPolarHBondContact O-CB 3.28Å; Y384-Y387 PolarHBondContact O-N 3.23Å; A385-Y387 VanDerWaalsContact C-N 3.31Å; A385-Y387 PolarHBondContact O-N 2.89Å; Y387-K390 PolarHBondContact O-N 3.09Å; Y387-Y391 AromaticContact CD1-CD2 3.64Å; Y387-Y391 HydrophobicContact CD1-CD2 3.64Å; Y387-Y391 HydrophobicContact CD1-CE2 4.39Å; Y387-Y391 AromaticContact CD2-CD2 3.77Å; Y387-Y391 HydrophobicContact CD2-CD2 3.77Å; Y387-Y391 AromaticContact CD2-CE2 3.68Å; Y387-Y391 HydrophobicContact CD2-CE2 3.68Å; Y387-Y391 AromaticContact CE1-CD2 3.45Å; Y387-Y391 HydrophobicContact CE1-CD2 3.45Å; Y387-Y391 VanDerWaalsContact CE1-CD2 3.45Å; Y387-Y391 HydrophobicContact CE1-CE2 4.11Å; Y387-Y391 HydrophobicContact CE1-CG 4.15Å; Y387-Y391 AromaticContact CE2-CD2 3.62Å; Y387-Y391 HydrophobicContact CE2-CD2 3.62Å; Y387-Y391 AromaticContact CE2-CE2 3.39Å; Y387-Y391 HydrophobicContact CE2-CE2 3.39Å; Y387-Y391 AromaticContact CG-CD2 3.79Å; Y387-Y391 HydrophobicContact CG-CD2 3.79Å; Y387-Y391 HydrophobicContact CG-CE2 4.19Å; Y387-Y391 AromaticContact CZ-CD2 3.45Å; Y387-Y391 VanDerWaalsContact CZ-CD2 3.45Å; Y387-Y391 AromaticContact CZ-CE2 3.62Å; Y387-Y391 WeakPolarHBondContact O-CB 3.25Å; Y387-Y391 VanDerWaalsContact O-CD2 3.3Å; Y387-Y391 WeakPolarHBondContact O-CD2 3.06Å; Y387-Y391 PolarHBondContact O-N 3.18Å; Y387-F395 HydrophobicContact CD1-CB 3.82Å; Y387-F395 HydrophobicContact CD1-CD1 4.09Å; Y387-F395 HydrophobicContact CD1-CD2 4.23Å; Y387-F395 AromaticContact CD1-CG 3.79Å; Y387-F395 HydrophobicContact CD1-CG 3.79Å; Y387-F395 HydrophobicContact CE1-CB 4.07Å; Y387-F395 AromaticContact CE1-CD1 3.46Å; Y387-F395 HydrophobicContact CE1-CD1 3.46Å; Y387-F395 VanDerWaalsContact CE1-CD1 3.46Å; Y387-F395 AromaticContact CE1-CD2 3.85Å; Y387-F395 HydrophobicContact CE1-CD2 3.85Å; Y387-F395 AromaticContact CE1-CE1 3.73Å; Y387-F395 HydrophobicContact CE1-CE1 3.73Å; Y387-F395 HydrophobicContact CE1-CE2 4.12Å; Y387-F395 AromaticContact CE1-CG 3.51Å; Y387-F395 HydrophobicContact CE1-CG 3.51Å; Y387-F395 HydrophobicContact CE1-CZ 4.04Å
388V92Very high93.5Very high21 Ų2155.1 Ų55.113%0.12729%0.292CS..Hα-helixtrans-68.6-41176.8168.10000112Y379 Y384 A385 K390 G392 L393 F395Y379-V388 VanDerWaalsContact OH-CG2 3.31Å; Y379-V388 WeakPolarHBondContact OH-CG2 3.38Å; Y384-V388 WeakPolarHBondContact O-CB 3.47Å; Y384-V388 WeakPolarHBondContact O-CG2 3.25Å; Y384-V388 PolarHBondContact O-N 3.49Å; A385-V388 PolarHBondContact O-N 3.04Å; V388-K390 PolarHBondContact O-N 3.49Å; V388-G392 VanDerWaalsContact O-CA 3.23Å; V388-G392 WeakPolarHBondContact O-CA 3.19Å; V388-G392 PolarHBondContact O-N 3.17Å; V388-L393 HydrophobicContact CG1-CD2 4.03Å; V388-F395 VanDerWaalsContact CG2-C 3.48Å; V388-F395 HydrophobicContact CG2-CB 3.98Å; V388-F395 WeakPolarHBondContact CG2-O 3.13Å
389E94.2Very high93.5Very high175 Ų17558.5 Ų58.582%0.81831%0.309SS*.Hα-helixtrans-57-40.1174.4-175178.5-172.800111.2A385A385-E389 PolarHBondContact O-N 2.98Å
390K90.9Very high93.4Very high140 Ų14057.1 Ų57.161%0.60931%0.305SS*.Hα-helixtrans-78.8-41.7-178.1-173.8173.9179.5-174.10114.5A386 Y387 V388A386-K390 WeakPolarHBondContact O-CB 3.35Å; A386-K390 PolarHBondContact O-N 2.94Å; A386-K390 VanDerWaalsContact O-N 3.14Å; Y387-K390 PolarHBondContact O-N 3.09Å; V388-K390 PolarHBondContact O-N 3.49Å
391Y86.9Confident93.3Very high67 Ų6754 Ų5426%0.26329%0.289SS..Hα-helixtrans-114.7-4.2-168.7-58.8-67.5000114.3Y387Y387-Y391 AromaticContact CD1-CD2 3.64Å; Y387-Y391 HydrophobicContact CD1-CD2 3.64Å; Y387-Y391 HydrophobicContact CD1-CE2 4.39Å; Y387-Y391 AromaticContact CD2-CD2 3.77Å; Y387-Y391 HydrophobicContact CD2-CD2 3.77Å; Y387-Y391 AromaticContact CD2-CE2 3.68Å; Y387-Y391 HydrophobicContact CD2-CE2 3.68Å; Y387-Y391 AromaticContact CE1-CD2 3.45Å; Y387-Y391 HydrophobicContact CE1-CD2 3.45Å; Y387-Y391 VanDerWaalsContact CE1-CD2 3.45Å; Y387-Y391 HydrophobicContact CE1-CE2 4.11Å; Y387-Y391 HydrophobicContact CE1-CG 4.15Å; Y387-Y391 AromaticContact CE2-CD2 3.62Å; Y387-Y391 HydrophobicContact CE2-CD2 3.62Å; Y387-Y391 AromaticContact CE2-CE2 3.39Å; Y387-Y391 HydrophobicContact CE2-CE2 3.39Å; Y387-Y391 AromaticContact CG-CD2 3.79Å; Y387-Y391 HydrophobicContact CG-CD2 3.79Å; Y387-Y391 HydrophobicContact CG-CE2 4.19Å; Y387-Y391 AromaticContact CZ-CD2 3.45Å; Y387-Y391 VanDerWaalsContact CZ-CD2 3.45Å; Y387-Y391 AromaticContact CZ-CE2 3.62Å; Y387-Y391 WeakPolarHBondContact O-CB 3.25Å; Y387-Y391 VanDerWaalsContact O-CD2 3.3Å; Y387-Y391 WeakPolarHBondContact O-CD2 3.06Å; Y387-Y391 PolarHBondContact O-N 3.18Å
392G90.8Very high93.2Very high30 Ų3051.7 Ų51.731%0.30928%0.275SS..  trans93.5178.2174.100000115.1V388 D394 F395V388-G392 VanDerWaalsContact O-CA 3.23Å; V388-G392 WeakPolarHBondContact O-CA 3.19Å; V388-G392 PolarHBondContact O-N 3.17Å; G392-D394 VanDerWaalsContact C-N 3.26Å; G392-D394 PolarHBondContact O-N 3.35Å; G392-F395 PolarHBondContact O-N 3.27Å
393L93.1Very high93.3Very high102 Ų10251.9 Ų51.953%0.53428%0.277SS..G310 helixtrans-70.9-12.5-166.4-64.3171.8000115.1V388 F395 S396 L399V388-L393 HydrophobicContact CG1-CD2 4.03Å; L393-F395 PolarHBondContact O-N 3.46Å; L393-F395 VanDerWaalsContact O-N 3.17Å; L393-S396 WeakPolarHBondContact O-CB 3.2Å; L393-S396 PolarHBondContact O-N 3.25Å; L393-S396 PolarHBondContact O-OG 3Å; L393-L399 HydrophobicContact CB-CB 4.07Å; L393-L399 HydrophobicContact CB-CD1 4.01Å; L393-L399 HydrophobicContact CD1-CD1 3.72Å; L393-L399 HydrophobicContact CD2-CD1 4.32Å; L393-L399 HydrophobicContact CG-CD1 4.23Å; L393-L399 CarbonylContact O-C 3.18Å
394D88.6Confident93.5Very high41 Ų4152.4 Ų52.422%0.21927%0.274CS..G310 helixtrans-67.5-11.2175.6-74.8-26.1000112.7G392 A400 P401 K404 K435G392-D394 VanDerWaalsContact C-N 3.26Å; G392-D394 PolarHBondContact O-N 3.35Å; D394-A400 VanDerWaalsContact O-CA 3.26Å; D394-A400 WeakPolarHBondContact O-CA 3.3Å; D394-A400 WeakPolarHBondContact O-CB 3.41Å; D394-P401 HydrophobicContact CB-CG 4.46Å; D394-P401 WeakPolarHBondContact O-CD 3.27Å; D394-K404 IonicContact OD1-NZ 3.41Å; D394-K404 PolarHBondContact OD1-NZ 2.94Å; D394-K435 IonicContact OD1-NZ 3.54Å; D394-K435 IonicContact OD2-NZ 2.73Å; D394-K435 PolarHBondContact OD2-NZ 2.96Å
395F88.3Confident93.7Very high84 Ų8452.1 Ų52.137%0.36827%0.272SS..G310 helixtrans-103.12.2172.5-59.6-80.3000113.6Y387 V388 G392 L393Y387-F395 HydrophobicContact CD1-CB 3.82Å; Y387-F395 HydrophobicContact CD1-CD1 4.09Å; Y387-F395 HydrophobicContact CD1-CD2 4.23Å; Y387-F395 AromaticContact CD1-CG 3.79Å; Y387-F395 HydrophobicContact CD1-CG 3.79Å; Y387-F395 HydrophobicContact CE1-CB 4.07Å; Y387-F395 AromaticContact CE1-CD1 3.46Å; Y387-F395 HydrophobicContact CE1-CD1 3.46Å; Y387-F395 VanDerWaalsContact CE1-CD1 3.46Å; Y387-F395 AromaticContact CE1-CD2 3.85Å; Y387-F395 HydrophobicContact CE1-CD2 3.85Å; Y387-F395 AromaticContact CE1-CE1 3.73Å; Y387-F395 HydrophobicContact CE1-CE1 3.73Å; Y387-F395 HydrophobicContact CE1-CE2 4.12Å; Y387-F395 AromaticContact CE1-CG 3.51Å; Y387-F395 HydrophobicContact CE1-CG 3.51Å; Y387-F395 HydrophobicContact CE1-CZ 4.04Å; V388-F395 VanDerWaalsContact CG2-C 3.48Å; V388-F395 HydrophobicContact CG2-CB 3.98Å; V388-F395 WeakPolarHBondContact CG2-O 3.13Å; G392-F395 PolarHBondContact O-N 3.27Å; L393-F395 PolarHBondContact O-N 3.46Å; L393-F395 VanDerWaalsContact O-N 3.17Å
396S94.1Very high93.9Very high12 Ų1249.9 Ų49.98%0.08425%0.254CS..SBendtrans-82.4150.917671.90000111.1I372 L393 E398 L399 A400I372-S396 WeakPolarHBondContact CD1-O 3.43Å; L393-S396 WeakPolarHBondContact O-CB 3.2Å; L393-S396 PolarHBondContact O-N 3.25Å; L393-S396 PolarHBondContact O-OG 3Å; S396-E398 PolarHBondContact O-N 3.35Å; S396-L399 PolarHBondContact O-N 2.91Å; S396-L399 WeakPolarHBondContact OG-CB 3.43Å; S396-L399 PolarHBondContact OG-N 3.36Å; S396-A400 WeakPolarHBondContact O-CB 3.12Å; S396-A400 PolarHBondContact O-N 2.86Å
397Y95.9Very high94.2Very high37 Ų3751.9 Ų51.915%0.14525%0.248CC..THydrogen-bonded Turntrans-54.5-43178.4-179.1-96.1000112Y370 I372 P373 F374 A403Y370-Y397 HydrophobicContact CE2-CD2 4.13Å; Y370-Y397 HydrophobicContact CE2-CE2 4.21Å; Y370-Y397 VanDerWaalsContact CE2-O 3.3Å; Y370-Y397 WeakPolarHBondContact CE2-O 3.48Å; Y370-Y397 PolarHBondContact OH-O 3.32Å; I372-Y397 HydrophobicContact CB-CD2 4.2Å; I372-Y397 HydrophobicContact CG2-CD2 4.05Å; I372-Y397 HydrophobicContact CG2-CG 4.47Å; P373-Y397 WeakPolarHBondContact O-CD2 3.1Å; F374-Y397 HydrophobicContact CB-CE2 3.9Å; F374-Y397 HydrophobicContact CD2-CE1 4.09Å; F374-Y397 HydrophobicContact CD2-CE2 4.28Å; F374-Y397 AromaticContact CD2-CZ 3.69Å; F374-Y397 WeakPolarHBondContact CD2-OH 3.34Å; Y397-A403 WeakPolarHBondContact O-CB 3.34Å
398E96.2Very high94.6Very high101 Ų10154.8 Ų54.847%0.47226%0.259SS..THydrogen-bonded Turntrans-79-38.4-176.2-73.5-62.3155.500113.3S396 A403 R407S396-E398 PolarHBondContact O-N 3.35Å; E398-A403 WeakPolarHBondContact O-CB 3.27Å; E398-R407 PolarHBondContact O-NH2 2.73Å; E398-R407 IonicContact OE2-CZ 2.86Å; E398-R407 IonicContact OE2-NH1 2.89Å; E398-R407 PolarHBondContact OE2-NH1 2.61Å
399L97Very high94.9Very high70 Ų7054.3 Ų54.337%0.36626%0.255SS..THydrogen-bonded Turntrans-112.88.6-166.4-61.4172.9000114.4L393 S396 K404L393-L399 HydrophobicContact CB-CB 4.07Å; L393-L399 HydrophobicContact CB-CD1 4.01Å; L393-L399 HydrophobicContact CD1-CD1 3.72Å; L393-L399 HydrophobicContact CD2-CD1 4.32Å; L393-L399 HydrophobicContact CG-CD1 4.23Å; L393-L399 CarbonylContact O-C 3.18Å; S396-L399 PolarHBondContact O-N 2.91Å; S396-L399 WeakPolarHBondContact OG-CB 3.43Å; S396-L399 PolarHBondContact OG-N 3.36Å; L399-K404 WeakPolarHBondContact O-CD 3.31Å; L399-K404 WeakPolarHBondContact O-CE 3.21Å; L399-K404 PolarHBondContact O-NZ 2.71Å
400A95.5Very high95.1Very high6 Ų647.4 Ų47.45%0.0522%0.223CC..SBendtrans-54.9145.8168.500000111.9I372 D394 S396 R402 A403 K404I372-A400 HydrophobicContact CD1-CB 3.54Å; D394-A400 VanDerWaalsContact O-CA 3.26Å; D394-A400 WeakPolarHBondContact O-CA 3.3Å; D394-A400 WeakPolarHBondContact O-CB 3.41Å; S396-A400 WeakPolarHBondContact O-CB 3.12Å; S396-A400 PolarHBondContact O-N 2.86Å; A400-R402 VanDerWaalsContact C-N 3.27Å; A400-R402 PolarHBondContact O-N 3.34Å; A400-A403 HydrophobicContact CB-CB 4.25Å; A400-A403 WeakPolarHBondContact O-CB 3.5Å; A400-A403 PolarHBondContact O-N 3.04Å; A400-K404 PolarHBondContact O-N 3.2Å
401P96.1Very high95.5Very high9 Ų943.1 Ų43.16%0.05822%0.219CC..Hα-helixtrans-49.3-46179.4-30.636.1000113.6D394 K404 I405 N440D394-P401 HydrophobicContact CB-CG 4.46Å; D394-P401 WeakPolarHBondContact O-CD 3.27Å; P401-K404 PolarHBondContact O-N 3.19Å; P401-I405 VanDerWaalsContact O-CG1 3.25Å; P401-I405 WeakPolarHBondContact O-CG1 2.82Å; P401-I405 PolarHBondContact O-N 3.01Å; P401-N440 HydrophobicContact CB-CB 3.76Å; P401-N440 WeakPolarHBondContact CB-O 3.47Å; P401-N440 HydrophobicContact CG-CB 3.78Å
402R96.3Very high96Very high27 Ų2746.8 Ų46.810%0.10224%0.236CC..Hα-helixtrans-65.5-39.8177.8-74.7-176.4-76.2173.30.1113.2C197 S198 Y370 N371 A400 K404 I405 F406 T441C197-R402 PolarHBondContact O-NH1 2.95Å; S198-R402 VanDerWaalsContact OG-CD 3.27Å; S198-R402 WeakPolarHBondContact OG-CD 3.47Å; S198-R402 PolarHBondContact OG-NH1 2.95Å; Y370-R402 HydrophobicContact CD1-CB 4.49Å; Y370-R402 HydrophobicContact CG-CB 4.12Å; Y370-R402 PolarHBondContact O-NH2 3.31Å; N371-R402 PolarHBondContact OD1-NH1 3.46Å; N371-R402 PolarHBondContact OD1-NH2 3.01Å; A400-R402 VanDerWaalsContact C-N 3.27Å; A400-R402 PolarHBondContact O-N 3.34Å; R402-K404 VanDerWaalsContact C-N 3.33Å; R402-K404 PolarHBondContact O-N 2.81Å; R402-I405 PolarHBondContact O-N 2.77Å; R402-F406 HydrophobicContact CB-CD2 4.45Å; R402-F406 WeakPolarHBondContact O-CB 3Å; R402-F406 VanDerWaalsContact O-CD2 3.24Å; R402-F406 WeakPolarHBondContact O-CD2 3.34Å; R402-F406 PolarHBondContact O-N 3.48Å; R402-T441 VanDerWaalsContact CD-O 3.25Å; R402-T441 WeakPolarHBondContact CD-O 3.47Å; R402-T441 WeakPolarHBondContact CG-O 3.39Å
403A98.1Very high96.4Very high5 Ų545.5 Ų45.54%0.04122%0.222CC..Hα-helixtrans-58.8-46.2174.200000111.3Y370 Y397 E398 A400 R407Y370-A403 HydrophobicContact CD2-CB 4.5Å; Y370-A403 HydrophobicContact CE1-CB 3.88Å; Y370-A403 HydrophobicContact CE2-CB 3.79Å; Y370-A403 VanDerWaalsContact CZ-CB 3.43Å; Y370-A403 WeakPolarHBondContact OH-CB 3.49Å; Y397-A403 WeakPolarHBondContact O-CB 3.34Å; E398-A403 WeakPolarHBondContact O-CB 3.27Å; A400-A403 HydrophobicContact CB-CB 4.25Å; A400-A403 WeakPolarHBondContact O-CB 3.5Å; A400-A403 PolarHBondContact O-N 3.04Å; A403-R407 VanDerWaalsContact O-CB 3.23Å; A403-R407 WeakPolarHBondContact O-CB 3.26Å; A403-R407 PolarHBondContact O-N 2.91Å
404K98.5Very high96.7Very high31 Ų3144.7 Ų44.714%0.13522%0.221CC..Hα-helixtrans-63.1-45177.2-65.6178.5-63.8-143.40112.2D394 L399 A400 P401 R402 R408 Y433D394-K404 IonicContact OD1-NZ 3.41Å; D394-K404 PolarHBondContact OD1-NZ 2.94Å; L399-K404 WeakPolarHBondContact O-CD 3.31Å; L399-K404 WeakPolarHBondContact O-CE 3.21Å; L399-K404 PolarHBondContact O-NZ 2.71Å; A400-K404 PolarHBondContact O-N 3.2Å; P401-K404 PolarHBondContact O-N 3.19Å; R402-K404 VanDerWaalsContact C-N 3.33Å; R402-K404 PolarHBondContact O-N 2.81Å; K404-R408 WeakPolarHBondContact O-CB 3.38Å; K404-R408 PolarHBondContact O-N 2.75Å; K404-Y433 HydrophobicContact CB-CD1 4.14Å; K404-Y433 HydrophobicContact CB-CD2 3.64Å; K404-Y433 HydrophobicContact CB-CE1 4.32Å; K404-Y433 HydrophobicContact CB-CE2 3.83Å; K404-Y433 HydrophobicContact CB-CG 3.81Å; K404-Y433 HydrophobicContact CD-CD1 3.87Å; K404-Y433 HydrophobicContact CD-CE1 4.13Å; K404-Y433 HydrophobicContact CD-CG 4.3Å
405I98.6Very high97.1Very high0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-65.9-48.9179.3-64.8163.3000110.7P401 R402 R407 R408 D409 Y425 Y433 I442P401-I405 VanDerWaalsContact O-CG1 3.25Å; P401-I405 WeakPolarHBondContact O-CG1 2.82Å; P401-I405 PolarHBondContact O-N 3.01Å; R402-I405 PolarHBondContact O-N 2.77Å; I405-R407 PolarHBondContact O-N 2.89Å; I405-R408 PolarHBondContact O-N 3.4Å; I405-D409 WeakPolarHBondContact O-CB 3.36Å; I405-D409 PolarHBondContact O-N 2.62Å; I405-Y425 HydrophobicContact CD1-CE1 4.22Å; I405-Y425 HydrophobicContact CG2-CD1 3.8Å; I405-Y425 HydrophobicContact CG2-CE1 3.77Å; I405-Y433 HydrophobicContact CG1-CD2 3.99Å; I405-I442 HydrophobicContact CB-CD1 4.44Å; I405-I442 HydrophobicContact CB-CG1 4.42Å; I405-I442 HydrophobicContact CG2-CD1 3.56Å; I405-I442 HydrophobicContact CG2-CG1 3.89Å
406F98.7Very high97.6Very high0 Ų043.7 Ų43.70%022%0.22CC..Hα-helixtrans-58.8-46.9177.3-80.9-53.9000111.7L200 P368 Y370 R402 R408 D409 Q410 I422 M423 I442L200-F406 HydrophobicContact CB-CE1 3.97Å; L200-F406 HydrophobicContact CB-CZ 4.45Å; L200-F406 HydrophobicContact CD1-CD1 4.16Å; L200-F406 HydrophobicContact CD1-CE1 4.38Å; L200-F406 HydrophobicContact CD2-CD1 4.22Å; L200-F406 HydrophobicContact CD2-CE1 4.1Å; L200-F406 HydrophobicContact CG-CE1 4.38Å; P368-F406 HydrophobicContact CB-CB 4.04Å; P368-F406 HydrophobicContact CB-CD2 3.84Å; P368-F406 HydrophobicContact CB-CE2 4.46Å; P368-F406 HydrophobicContact CB-CG 4Å; Y370-F406 AromaticContact CD1-CD2 3.91Å; Y370-F406 HydrophobicContact CD1-CD2 3.91Å; Y370-F406 HydrophobicContact CD1-CE2 4.22Å; R402-F406 HydrophobicContact CB-CD2 4.45Å; R402-F406 WeakPolarHBondContact O-CB 3Å; R402-F406 VanDerWaalsContact O-CD2 3.24Å; R402-F406 WeakPolarHBondContact O-CD2 3.34Å; R402-F406 PolarHBondContact O-N 3.48Å; F406-R408 VanDerWaalsContact C-N 3.3Å; F406-R408 PolarHBondContact O-N 3Å; F406-D409 PolarHBondContact O-N 3.26Å; F406-Q410 WeakPolarHBondContact O-CB 3.12Å; F406-Q410 WeakPolarHBondContact O-CG 3.47Å; F406-Q410 PolarHBondContact O-N 2.93Å; F406-I422 HydrophobicContact CD1-CD1 4.2Å; F406-M423 HydrophobicContact CE1-SD 4.17Å; F406-M423 HydrophobicContact CZ-SD 4.39Å; F406-I442 HydrophobicContact CD1-CD1 3.68Å; F406-I442 HydrophobicContact CD1-CG1 4.39Å; F406-I442 HydrophobicContact CE1-CD1 3.49Å; F406-I442 VanDerWaalsContact CE1-CD1 3.49Å; F406-I442 HydrophobicContact CE1-CG1 4.02Å; F406-I442 HydrophobicContact CE1-CG2 4.16Å; F406-I442 HydrophobicContact CE2-CG1 4.25Å; F406-I442 HydrophobicContact CG-CD1 4.28Å; F406-I442 HydrophobicContact CZ-CD1 3.97Å; F406-I442 HydrophobicContact CZ-CG1 3.95Å; F406-I442 HydrophobicContact CZ-CG2 3.83Å
407R98.5Very high97.8Very high105 Ų10548.5 Ų48.540%0.39624%0.241SC..Hα-helixtrans-59-40.6177.8176.3161.843.2-142.6-10.4112.8Y366 E398 A403 I405Y366-R407 WeakPolarHBondContact OH-CA 3.44Å; E398-R407 PolarHBondContact O-NH2 2.73Å; E398-R407 IonicContact OE2-CZ 2.86Å; E398-R407 IonicContact OE2-NH1 2.89Å; E398-R407 PolarHBondContact OE2-NH1 2.61Å; A403-R407 VanDerWaalsContact O-CB 3.23Å; A403-R407 WeakPolarHBondContact O-CB 3.26Å; A403-R407 PolarHBondContact O-N 2.91Å; I405-R407 PolarHBondContact O-N 2.89Å
408R98.6Very high98Very high88 Ų8848 Ų4833%0.33224%0.242SC..Hα-helixtrans-69.5-43.9177.1-176-171.365.1-148.4-2.3112.5K404 I405 F406 Y425 D431 Y433K404-R408 WeakPolarHBondContact O-CB 3.38Å; K404-R408 PolarHBondContact O-N 2.75Å; I405-R408 PolarHBondContact O-N 3.4Å; F406-R408 VanDerWaalsContact C-N 3.3Å; F406-R408 PolarHBondContact O-N 3Å; R408-Y425 PolarHBondContact NH2-OH 2.99Å; R408-D431 IonicContact CZ-OD1 3.47Å; R408-D431 IonicContact CZ-OD2 3.93Å; R408-D431 IonicContact NH1-OD1 2.78Å; R408-D431 PolarHBondContact NH1-OD1 3.38Å; R408-D431 IonicContact NH1-OD2 3.95Å; R408-D431 PolarHBondContact NH1-OD2 2.7Å; R408-D431 IonicContact NH2-OD1 3.13Å; R408-D431 IonicContact NH2-OD2 2.88Å; R408-D431 PolarHBondContact NH2-OD2 2.87Å; R408-Y433 HydrophobicContact CB-CE2 4.4Å; R408-Y433 VanDerWaalsContact NH1-CE2 3.28Å
409D98.6Very high98.1Very high11 Ų1143.1 Ų43.16%0.05922%0.22CC..Hα-helixtrans-109.1-14.4-161.7-66.8-29.9000115.1I405 F406 G411 K412 I422I405-D409 WeakPolarHBondContact O-CB 3.36Å; I405-D409 PolarHBondContact O-N 2.62Å; F406-D409 PolarHBondContact O-N 3.26Å; D409-G411 PolarHBondContact O-N 3.06Å; D409-G411 VanDerWaalsContact O-N 3.08Å; D409-K412 HydrophobicContact CB-CD 4.34Å; D409-K412 VanDerWaalsContact O-CB 3.29Å; D409-K412 WeakPolarHBondContact O-CB 3.38Å; D409-K412 PolarHBondContact O-N 3.2Å; D409-K412 IonicContact OD1-NZ 3.85Å; D409-K412 PolarHBondContact OD1-NZ 3.25Å; D409-I422 HydrophobicContact CB-CD1 4.01Å
410Q98.3Very high98.2Very high30 Ų3040.9 Ų40.914%0.1421%0.207CC..G310 helixtrans-56-31.8-17966.182.123.200112.9K202 Y366 F406 K412 V413K202-Q410 WeakPolarHBondContact CD-O 3.41Å; K202-Q410 VanDerWaalsContact CD-OE1 3.31Å; K202-Q410 VanDerWaalsContact CE-O 3.23Å; K202-Q410 WeakPolarHBondContact CE-O 3.43Å; Y366-Q410 HydrophobicContact CD1-CB 4.43Å; Y366-Q410 HydrophobicContact CD1-CG 3.51Å; Y366-Q410 HydrophobicContact CD2-CB 4.06Å; Y366-Q410 HydrophobicContact CD2-CG 3.84Å; Y366-Q410 HydrophobicContact CE1-CG 3.6Å; Y366-Q410 HydrophobicContact CE2-CB 4.4Å; Y366-Q410 HydrophobicContact CE2-CG 3.92Å; Y366-Q410 HydrophobicContact CG-CB 4.08Å; Y366-Q410 HydrophobicContact CG-CG 3.65Å; F406-Q410 WeakPolarHBondContact O-CB 3.12Å; F406-Q410 WeakPolarHBondContact O-CG 3.47Å; F406-Q410 PolarHBondContact O-N 2.93Å; Q410-K412 PolarHBondContact O-N 3.15Å; Q410-V413 WeakPolarHBondContact O-CB 3.3Å; Q410-V413 PolarHBondContact O-N 3.43Å
411G98.4Very high98.3Very high50 Ų5046.9 Ų46.952%0.51523%0.229SC..G310 helixtrans-65.5-16.4178.300000113.9D409 V413D409-G411 PolarHBondContact O-N 3.06Å; D409-G411 VanDerWaalsContact O-N 3.08Å; G411-V413 VanDerWaalsContact C-N 3.27Å
412K98.5Very high98.4Very high143 Ų14346.9 Ų46.962%0.62223%0.229SC*.G310 helixtrans-79.2-11.2175.3-60.6172.1179164.70112.6D409 Q410 T414D409-K412 HydrophobicContact CB-CD 4.34Å; D409-K412 VanDerWaalsContact O-CB 3.29Å; D409-K412 WeakPolarHBondContact O-CB 3.38Å; D409-K412 PolarHBondContact O-N 3.2Å; D409-K412 IonicContact OD1-NZ 3.85Å; D409-K412 PolarHBondContact OD1-NZ 3.25Å; Q410-K412 PolarHBondContact O-N 3.15Å; K412-T414 PolarHBondContact O-N 3.26Å
413V98.8Very high98.5Very high3 Ų345.6 Ų45.62%0.01822%0.224CC..  trans-78107.3175.9-177.20000109.4L200 K202 L204 Y211 Q410 G411 S418 M419 I422L200-V413 HydrophobicContact CD2-CG2 4.38Å; K202-V413 HydrophobicContact CB-CG1 4.31Å; K202-V413 HydrophobicContact CD-CB 4.12Å; K202-V413 HydrophobicContact CG-CB 3.88Å; K202-V413 HydrophobicContact CG-CG1 3.79Å; L204-V413 WeakPolarHBondContact CD2-O 3.39Å; Y211-V413 HydrophobicContact CD2-CG1 4.36Å; Q410-V413 WeakPolarHBondContact O-CB 3.3Å; Q410-V413 PolarHBondContact O-N 3.43Å; G411-V413 VanDerWaalsContact C-N 3.27Å; V413-S418 WeakPolarHBondContact CA-OG 3.33Å; V413-M419 HydrophobicContact CG1-CB 3.86Å; V413-M419 HydrophobicContact CG1-CG 4.43Å; V413-M419 HydrophobicContact CG1-SD 3.75Å; V413-M419 HydrophobicContact CG2-SD 4.28Å; V413-I422 HydrophobicContact CG2-CB 4.24Å; V413-I422 HydrophobicContact CG2-CD1 4.21Å; V413-I422 HydrophobicContact CG2-CG2 3.59Å
414T98.4Very high98.5Very high86 Ų8646 Ų4653%0.52822%0.224SC..  trans-121.7-13.4-178540000112.9K412 S418K412-T414 PolarHBondContact O-N 3.26Å; T414-S418 PolarHBondContact N-OG 3.19Å
415N98.6Very high98.5Very high70 Ų7045.5 Ų45.537%0.37422%0.222SC..SBendtrans-159.1176.8-18059.253.6000111.4Y211 E417 S418 M419Y211-N415 WeakPolarHBondContact OH-CA 3.47Å; N415-E417 VanDerWaalsContact C-N 3.31Å; N415-E417 PolarHBondContact O-N 2.9Å; N415-E417 PolarHBondContact OD1-N 3.48Å; N415-S418 PolarHBondContact N-OG 3.35Å; N415-S418 PolarHBondContact O-N 3.24Å; N415-S418 PolarHBondContact O-OG 2.93Å; N415-S418 PolarHBondContact OD1-N 3.36Å; N415-S418 PolarHBondContact OD1-OG 3.19Å; N415-M419 PolarHBondContact O-N 3.15Å
416L98.3Very high98.5Very high33 Ų3345.7 Ų45.717%0.17322%0.223CC..Hα-helixtrans-57.5-38.8-179.2-166.773.4000113.2Y211 M419 K420 V463 L468 T475Y211-L416 HydrophobicContact CD1-CD1 4Å; Y211-L416 HydrophobicContact CE1-CB 4.04Å; Y211-L416 HydrophobicContact CE1-CD1 4.04Å; L416-M419 WeakPolarHBondContact O-CB 3.05Å; L416-M419 PolarHBondContact O-N 2.84Å; L416-K420 WeakPolarHBondContact O-CG 3.21Å; L416-K420 PolarHBondContact O-N 3.11Å; L416-V463 HydrophobicContact CD1-CB 4.46Å; L416-V463 HydrophobicContact CD1-CG1 3.62Å; L416-V463 HydrophobicContact CG-CG1 4.49Å; L416-L468 HydrophobicContact CD1-CD1 4.23Å; L416-L468 HydrophobicContact CD2-CD1 4.03Å; L416-T475 HydrophobicContact CD2-CG2 4.3Å
417E98.4Very high98.4Very high114 Ų11448.2 Ų48.253%0.53324%0.236SC..Hα-helixtrans-69.3-42.2-179.8-64.3-51.7123.300112.1N415 M419 K420 Y421N415-E417 VanDerWaalsContact C-N 3.31Å; N415-E417 PolarHBondContact O-N 2.9Å; N415-E417 PolarHBondContact OD1-N 3.48Å; E417-M419 VanDerWaalsContact C-N 3.25Å; E417-M419 PolarHBondContact O-N 3.39Å; E417-K420 WeakPolarHBondContact O-CB 3.45Å; E417-K420 PolarHBondContact O-N 3.43Å; E417-K420 IonicContact OE1-NZ 3.52Å; E417-K420 PolarHBondContact OE1-NZ 2.98Å; E417-K420 IonicContact OE2-NZ 2.97Å; E417-Y421 WeakPolarHBondContact O-CB 3.44Å; E417-Y421 PolarHBondContact O-N 2.95Å
418S98.6Very high98.3Very high25 Ų2544.6 Ų44.618%0.17522%0.223CC..Hα-helixtrans-65.1-29.8173.362.20000112.7V413 T414 N415 Y421 I422V413-S418 WeakPolarHBondContact CA-OG 3.33Å; T414-S418 PolarHBondContact N-OG 3.19Å; N415-S418 PolarHBondContact N-OG 3.35Å; N415-S418 PolarHBondContact O-N 3.24Å; N415-S418 PolarHBondContact O-OG 2.93Å; N415-S418 PolarHBondContact OD1-N 3.36Å; N415-S418 PolarHBondContact OD1-OG 3.19Å; S418-Y421 PolarHBondContact O-N 2.93Å; S418-I422 PolarHBondContact O-N 3.26Å; S418-I422 VanDerWaalsContact O-N 3.08Å
419M98.8Very high98.1Very high0 Ų046.1 Ų46.10%023%0.234CC..Hα-helixtrans-68.7-45.8172-170.367.6174.900111.4L200 K202 Y211 A213 V413 N415 L416 E417 Y421 I422 M423 V463L200-M419 HydrophobicContact CB-CE 3.73Å; L200-M419 HydrophobicContact CD2-CE 3.92Å; L200-M419 HydrophobicContact CD2-SD 3.91Å; L200-M419 HydrophobicContact CG-CE 3.83Å; L200-M419 HydrophobicContact CG-SD 4.43Å; L200-M419 WeakPolarHBondContact O-CE 3.49Å; K202-M419 HydrophobicContact CB-SD 4.33Å; Y211-M419 HydrophobicContact CG-CB 4.49Å; A213-M419 HydrophobicContact CB-CE 3.4Å; A213-M419 VanDerWaalsContact CB-CE 3.4Å; A213-M419 HydrophobicContact CB-CG 4.22Å; V413-M419 HydrophobicContact CG1-CB 3.86Å; V413-M419 HydrophobicContact CG1-CG 4.43Å; V413-M419 HydrophobicContact CG1-SD 3.75Å; V413-M419 HydrophobicContact CG2-SD 4.28Å; N415-M419 PolarHBondContact O-N 3.15Å; L416-M419 WeakPolarHBondContact O-CB 3.05Å; L416-M419 PolarHBondContact O-N 2.84Å; E417-M419 VanDerWaalsContact C-N 3.25Å; E417-M419 PolarHBondContact O-N 3.39Å; M419-Y421 VanDerWaalsContact C-N 3.28Å; M419-Y421 PolarHBondContact O-N 3.4Å; M419-I422 VanDerWaalsContact O-CG2 3.29Å; M419-I422 WeakPolarHBondContact O-CG2 3.3Å; M419-I422 PolarHBondContact O-N 2.89Å; M419-I422 HydrophobicContact SD-CG2 4.26Å; M419-M423 HydrophobicContact CE-CG 4.39Å; M419-M423 HydrophobicContact CE-SD 4.46Å; M419-M423 VanDerWaalsContact O-CG 3.25Å; M419-M423 WeakPolarHBondContact O-CG 3.35Å; M419-M423 PolarHBondContact O-N 3.36Å; M419-V463 HydrophobicContact CB-CG1 3.89Å; M419-V463 HydrophobicContact CG-CG1 3.45Å; M419-V463 VanDerWaalsContact CG-CG1 3.45Å
420K98.6Very high98Very high23 Ų2355.3 Ų55.310%0.127%0.268CS..Hα-helixtrans-57-43.4172.6-70.2170.7-1781700111.4L416 E417 M423 R424 V463 T475 F510L416-K420 WeakPolarHBondContact O-CG 3.21Å; L416-K420 PolarHBondContact O-N 3.11Å; E417-K420 WeakPolarHBondContact O-CB 3.45Å; E417-K420 PolarHBondContact O-N 3.43Å; E417-K420 IonicContact OE1-NZ 3.52Å; E417-K420 PolarHBondContact OE1-NZ 2.98Å; E417-K420 IonicContact OE2-NZ 2.97Å; K420-M423 PolarHBondContact O-N 3.05Å; K420-R424 VanDerWaalsContact O-CG 3.3Å; K420-R424 WeakPolarHBondContact O-CG 3.17Å; K420-R424 PolarHBondContact O-N 3.4Å; K420-V463 HydrophobicContact CG-CB 4.25Å; K420-V463 HydrophobicContact CG-CG2 3.88Å; K420-T475 WeakPolarHBondContact CE-OG1 3.49Å; K420-F510 HydrophobicContact CB-CD2 4.41Å; K420-F510 HydrophobicContact CB-CE1 4.32Å; K420-F510 HydrophobicContact CB-CE2 3.75Å; K420-F510 HydrophobicContact CB-CZ 3.68Å; K420-F510 HydrophobicContact CD-CD1 4.11Å; K420-F510 HydrophobicContact CD-CD2 3.95Å; K420-F510 HydrophobicContact CD-CE1 4.26Å; K420-F510 HydrophobicContact CD-CE2 4.1Å; K420-F510 HydrophobicContact CD-CG 3.95Å; K420-F510 HydrophobicContact CD-CZ 4.25Å; K420-F510 HydrophobicContact CG-CD1 4.15Å; K420-F510 HydrophobicContact CG-CD2 4.3Å; K420-F510 HydrophobicContact CG-CE1 3.8Å; K420-F510 HydrophobicContact CG-CE2 3.96Å; K420-F510 HydrophobicContact CG-CG 4.38Å; K420-F510 HydrophobicContact CG-CZ 3.69Å
421Y98.4Very high97.9Very high131 Ų13154.2 Ų54.251%0.51426%0.262SS..Hα-helixtrans-61.9-48.9-179.8-179.3-84000112.8E417 S418 M419 M423 R424 Y425 Q483E417-Y421 WeakPolarHBondContact O-CB 3.44Å; E417-Y421 PolarHBondContact O-N 2.95Å; S418-Y421 PolarHBondContact O-N 2.93Å; M419-Y421 VanDerWaalsContact C-N 3.28Å; M419-Y421 PolarHBondContact O-N 3.4Å; Y421-M423 VanDerWaalsContact C-N 3.33Å; Y421-M423 PolarHBondContact O-N 3.4Å; Y421-R424 PolarHBondContact O-N 3.41Å; Y421-Y425 HydrophobicContact CE1-CD2 4.31Å; Y421-Y425 PolarHBondContact O-N 3.27Å; Y421-Q483 VanDerWaalsContact CD2-CD 3.49Å; Y421-Q483 HydrophobicContact CD2-CG 4.41Å; Y421-Q483 VanDerWaalsContact CE2-CD 3.47Å; Y421-Q483 HydrophobicContact CE2-CG 4.07Å; Y421-Q483 PolarHBondContact O-NE2 2.75Å; Y421-Q483 PolarHBondContact O-OE1 3.12Å
422I98.4Very high97.9Very high9 Ų956.5 Ų56.55%0.04627%0.268CS..Hα-helixtrans-66.6-37-178.5-169.1168.8000111.5L200 F406 D409 V413 S418 M419 R424 Y425 I442L200-I422 HydrophobicContact CD2-CD1 4.22Å; L200-I422 HydrophobicContact CD2-CG2 4Å; F406-I422 HydrophobicContact CD1-CD1 4.2Å; D409-I422 HydrophobicContact CB-CD1 4.01Å; V413-I422 HydrophobicContact CG2-CB 4.24Å; V413-I422 HydrophobicContact CG2-CD1 4.21Å; V413-I422 HydrophobicContact CG2-CG2 3.59Å; S418-I422 PolarHBondContact O-N 3.26Å; S418-I422 VanDerWaalsContact O-N 3.08Å; M419-I422 VanDerWaalsContact O-CG2 3.29Å; M419-I422 WeakPolarHBondContact O-CG2 3.3Å; M419-I422 PolarHBondContact O-N 2.89Å; M419-I422 HydrophobicContact SD-CG2 4.26Å; I422-R424 PolarHBondContact O-N 3.08Å; I422-Y425 WeakPolarHBondContact O-CB 3.26Å; I422-Y425 PolarHBondContact O-N 2.7Å; I422-Y425 VanDerWaalsContact O-N 3.08Å; I422-I442 HydrophobicContact CD1-CD1 4.25Å; I422-I442 HydrophobicContact CG1-CD1 3.59Å; I422-I442 WeakPolarHBondContact O-CG2 3.47Å
423M98.5Very high97.8Very high0 Ų053.8 Ų53.80%026%0.255CS..Hα-helixtrans-72.5-17.2-179-64.9-53-59.300113.7S198 L200 A213 S215 F406 M419 K420 Y421 S461S198-M423 WeakPolarHBondContact O-CE 3.2Å; L200-M423 HydrophobicContact CB-SD 3.65Å; L200-M423 HydrophobicContact CD2-SD 4.45Å; A213-M423 HydrophobicContact CB-CE 4.24Å; A213-M423 HydrophobicContact CB-CG 3.54Å; A213-M423 HydrophobicContact CB-SD 4.13Å; S215-M423 PolarHBondContact OG-O 3.22Å; F406-M423 HydrophobicContact CE1-SD 4.17Å; F406-M423 HydrophobicContact CZ-SD 4.39Å; M419-M423 HydrophobicContact CE-CG 4.39Å; M419-M423 HydrophobicContact CE-SD 4.46Å; M419-M423 VanDerWaalsContact O-CG 3.25Å; M419-M423 WeakPolarHBondContact O-CG 3.35Å; M419-M423 PolarHBondContact O-N 3.36Å; K420-M423 PolarHBondContact O-N 3.05Å; Y421-M423 VanDerWaalsContact C-N 3.33Å; Y421-M423 PolarHBondContact O-N 3.4Å; M423-S461 PolarHBondContact O-OG 2.73Å
424R98.1Very high97.6Very high13 Ų1353.6 Ų53.65%0.04925%0.254CS..THydrogen-bonded Turntrans-101.36172.5-64-68.1-68.5179-16.2112.9K420 Y421 I422 N426 S461 G479 P480 P481 F510K420-R424 VanDerWaalsContact O-CG 3.3Å; K420-R424 WeakPolarHBondContact O-CG 3.17Å; K420-R424 PolarHBondContact O-N 3.4Å; Y421-R424 PolarHBondContact O-N 3.41Å; I422-R424 PolarHBondContact O-N 3.08Å; R424-N426 PolarHBondContact O-N 3.21Å; R424-S461 WeakPolarHBondContact CD-OG 3.31Å; R424-G479 VanDerWaalsContact CZ-O 3.24Å; R424-G479 PolarHBondContact NH1-O 2.91Å; R424-G479 PolarHBondContact NH2-O 3.36Å; R424-P480 PolarHBondContact NH2-O 2.73Å; R424-P481 WeakPolarHBondContact O-CB 3.21Å; R424-F510 HydrophobicContact CG-CE2 4.17Å; R424-F510 HydrophobicContact CG-CZ 4.02Å
425Y98.3Very high97.4Very high22 Ų2255.7 Ų55.79%0.08626%0.255CS..  trans-66.8118.7-171.9177.8-98.7000112.3I405 R408 Y421 I422 N427 D431 I442 C443I405-Y425 HydrophobicContact CD1-CE1 4.22Å; I405-Y425 HydrophobicContact CG2-CD1 3.8Å; I405-Y425 HydrophobicContact CG2-CE1 3.77Å; R408-Y425 PolarHBondContact NH2-OH 2.99Å; Y421-Y425 HydrophobicContact CE1-CD2 4.31Å; Y421-Y425 PolarHBondContact O-N 3.27Å; I422-Y425 WeakPolarHBondContact O-CB 3.26Å; I422-Y425 PolarHBondContact O-N 2.7Å; I422-Y425 VanDerWaalsContact O-N 3.08Å; Y425-N427 HydrophobicContact CE2-CB 3.88Å; Y425-D431 VanDerWaalsContact CE1-OD2 3.25Å; Y425-D431 WeakPolarHBondContact CE1-OD2 3.3Å; Y425-D431 VanDerWaalsContact CZ-OD2 3.32Å; Y425-D431 PolarHBondContact OH-OD2 3Å; Y425-I442 HydrophobicContact CD1-CD1 4.46Å; Y425-I442 PolarHBondContact O-N 3.05Å; Y425-C443 PolarHBondContact O-N 2.84Å; Y425-C443 VanDerWaalsContact O-N 3.15Å
426N97.9Very high97.1Very high4 Ų462 Ų622%0.02127%0.274CS..  trans-146.6111.4165.7-171.5-28.1000109.4R424 Y428 P438 T441 C443 R445 P481 L486R424-N426 PolarHBondContact O-N 3.21Å; N426-Y428 WeakPolarHBondContact OD1-CB 3.48Å; N426-Y428 WeakPolarHBondContact OD1-CD1 3.34Å; N426-Y428 PolarHBondContact OD1-N 3.49Å; N426-P438 PolarHBondContact ND2-O 2.85Å; N426-T441 HydrophobicContact CB-CG2 4.48Å; N426-T441 VanDerWaalsContact CG-OG1 3.25Å; N426-T441 PolarHBondContact ND2-OG1 3.16Å; N426-T441 VanDerWaalsContact ND2-OG1 3.16Å; N426-T441 WeakPolarHBondContact OD1-CG2 3.27Å; N426-C443 WeakPolarHBondContact CB-O 3.43Å; N426-C443 PolarHBondContact ND2-O 3.41Å; N426-R445 WeakPolarHBondContact ND2-CG 3.1Å; N426-P481 HydrophobicContact CB-CG 4.2Å; N426-L486 HydrophobicContact CB-CD1 3.68Å; N426-L486 WeakPolarHBondContact O-CD1 3.32Å
427N96.9Very high96.8Very high52 Ų5263 Ų6328%0.27828%0.279SS..  trans-131.244175.4-174.520.8000109.5Y425 Q429 R430 D431Y425-N427 HydrophobicContact CE2-CB 3.88Å; N427-Q429 PolarHBondContact O-N 2.74Å; N427-R430 PolarHBondContact O-N 3.3Å; N427-D431 WeakPolarHBondContact O-CB 3.3Å; N427-D431 PolarHBondContact O-N 2.66Å
428Y96.1Very high96.6Very high30 Ų3057.6 Ų57.612%0.11825%0.254CS..THydrogen-bonded Turntrans-57.3-25.5-167.476.6-80.6000114.9N426 R430 R436 N437 P438 L448 L486N426-Y428 WeakPolarHBondContact OD1-CB 3.48Å; N426-Y428 WeakPolarHBondContact OD1-CD1 3.34Å; N426-Y428 PolarHBondContact OD1-N 3.49Å; Y428-R430 VanDerWaalsContact C-N 3.32Å; Y428-R430 PolarHBondContact O-N 3.4Å; Y428-R436 WeakPolarHBondContact CD2-O 3.38Å; Y428-R436 VanDerWaalsContact O-CA 3.32Å; Y428-R436 WeakPolarHBondContact O-CA 3.34Å; Y428-R436 PolarHBondContact O-N 3.27Å; Y428-N437 WeakPolarHBondContact CB-O 3.33Å; Y428-P438 HydrophobicContact CD1-CB 3.99Å; Y428-P438 HydrophobicContact CD2-CB 3.91Å; Y428-P438 HydrophobicContact CE1-CB 4.15Å; Y428-P438 HydrophobicContact CE2-CB 4.06Å; Y428-P438 VanDerWaalsContact CG-CA 3.46Å; Y428-P438 HydrophobicContact CG-CB 3.87Å; Y428-L448 HydrophobicContact CE1-CD1 4.29Å; Y428-L486 HydrophobicContact CD1-CD2 4.05Å; Y428-L486 HydrophobicContact CE1-CD2 3.64Å
429Q95.6Very high96.4Very high119 Ų11957.2 Ų57.256%0.55625%0.252SS*.THydrogen-bonded Turntrans-69.4-28.9179.2-62.8-179.9-1200112.9N427N427-Q429 PolarHBondContact O-N 2.74Å
430R96.2Very high96.2Very high205 Ų20559.1 Ų59.177%0.77426%0.262SS*.THydrogen-bonded Turntrans-121.1-24.7-173.1-56.9-178.8-177.1-172.81.3113.6N427 Y428 P432N427-R430 PolarHBondContact O-N 3.3Å; Y428-R430 VanDerWaalsContact C-N 3.32Å; Y428-R430 PolarHBondContact O-N 3.4Å; R430-P432 WeakPolarHBondContact O-CD 3.48Å
431D97.1Very high96Very high6 Ų658 Ų583%0.03226%0.257CS..  trans-70.2118.8179.3-166.4-33.1000110.5R408 Y425 N427 Y433 A434R408-D431 IonicContact CZ-OD1 3.47Å; R408-D431 IonicContact CZ-OD2 3.93Å; R408-D431 IonicContact NH1-OD1 2.78Å; R408-D431 PolarHBondContact NH1-OD1 3.38Å; R408-D431 IonicContact NH1-OD2 3.95Å; R408-D431 PolarHBondContact NH1-OD2 2.7Å; R408-D431 IonicContact NH2-OD1 3.13Å; R408-D431 IonicContact NH2-OD2 2.88Å; R408-D431 PolarHBondContact NH2-OD2 2.87Å; Y425-D431 VanDerWaalsContact CE1-OD2 3.25Å; Y425-D431 WeakPolarHBondContact CE1-OD2 3.3Å; Y425-D431 VanDerWaalsContact CZ-OD2 3.32Å; Y425-D431 PolarHBondContact OH-OD2 3Å; N427-D431 WeakPolarHBondContact O-CB 3.3Å; N427-D431 PolarHBondContact O-N 2.66Å; D431-Y433 PolarHBondContact O-N 3.46Å; D431-Y433 PolarHBondContact OD1-N 3.23Å; D431-A434 HydrophobicContact CB-CB 4.06Å; D431-A434 WeakPolarHBondContact O-CB 3.27Å; D431-A434 PolarHBondContact O-N 3.39Å
432P97.4Very high96Very high98 Ų9851.8 Ų51.864%0.63623%0.233SC*.G310 helixtrans-61.9-28.8-17925.3-35.3000112.9R430 A434 K435R430-P432 WeakPolarHBondContact O-CD 3.48Å; P432-A434 VanDerWaalsContact C-N 3.28Å; P432-A434 PolarHBondContact O-N 2.97Å; P432-K435 PolarHBondContact O-N 3.05Å
433Y96.8Very high95.9Very high86 Ų8651.4 Ų51.434%0.33723%0.231SC..G310 helixtrans-74.5-20.9178.1-60-36.6000113.1K404 I405 R408 D431K404-Y433 HydrophobicContact CB-CD1 4.14Å; K404-Y433 HydrophobicContact CB-CD2 3.64Å; K404-Y433 HydrophobicContact CB-CE1 4.32Å; K404-Y433 HydrophobicContact CB-CE2 3.83Å; K404-Y433 HydrophobicContact CB-CG 3.81Å; K404-Y433 HydrophobicContact CD-CD1 3.87Å; K404-Y433 HydrophobicContact CD-CE1 4.13Å; K404-Y433 HydrophobicContact CD-CG 4.3Å; I405-Y433 HydrophobicContact CG1-CD2 3.99Å; R408-Y433 HydrophobicContact CB-CE2 4.4Å; R408-Y433 VanDerWaalsContact NH1-CE2 3.28Å; D431-Y433 PolarHBondContact O-N 3.46Å; D431-Y433 PolarHBondContact OD1-N 3.23Å
434A93.6Very high95.7Very high0 Ų051.7 Ų51.70%023%0.233CC..G310 helixtrans-78.2-21.3177.800000112.9D431 P432 R436 N437 N440 T441D431-A434 HydrophobicContact CB-CB 4.06Å; D431-A434 WeakPolarHBondContact O-CB 3.27Å; D431-A434 PolarHBondContact O-N 3.39Å; P432-A434 VanDerWaalsContact C-N 3.28Å; P432-A434 PolarHBondContact O-N 2.97Å; A434-R436 PolarHBondContact O-N 3.22Å; A434-R436 VanDerWaalsContact O-N 3.15Å; A434-N437 WeakPolarHBondContact O-CB 3.4Å; A434-N437 PolarHBondContact O-N 2.94Å; A434-N440 WeakPolarHBondContact CA-O 3.45Å; A434-N440 HydrophobicContact CB-CB 4.34Å; A434-N440 VanDerWaalsContact O-CB 3.31Å; A434-N440 WeakPolarHBondContact O-CB 3.31Å; A434-N440 PolarHBondContact O-ND2 3.46Å; A434-T441 HydrophobicContact CB-CG2 3.9Å
435K93.9Very high95.7Very high129 Ų12951.1 Ų51.156%0.56123%0.231SC*.THydrogen-bonded Turntrans50.139.3-179.1-58.4178.8178.5173.90112.9D394 P432 N437D394-K435 IonicContact OD1-NZ 3.54Å; D394-K435 IonicContact OD2-NZ 2.73Å; D394-K435 PolarHBondContact OD2-NZ 2.96Å; P432-K435 PolarHBondContact O-N 3.05Å; K435-N437 PolarHBondContact O-N 3.18Å; K435-N437 VanDerWaalsContact O-N 3.1Å
436R93.3Very high95.5Very high202 Ų20251.6 Ų51.676%0.76223%0.233SC*.THydrogen-bonded Turntrans59.313.4-175.4-57.5-174.7174.8-171.5-0.1115.6Y428 A434Y428-R436 WeakPolarHBondContact CD2-O 3.38Å; Y428-R436 VanDerWaalsContact O-CA 3.32Å; Y428-R436 WeakPolarHBondContact O-CA 3.34Å; Y428-R436 PolarHBondContact O-N 3.27Å; A434-R436 PolarHBondContact O-N 3.22Å; A434-R436 VanDerWaalsContact O-N 3.15Å
437N92.5Very high95.3Very high54 Ų5451.6 Ų51.629%0.28923%0.234SC..  trans-92.8122171.5-179.8-38.1000109.5Y428 A434 K435 C439 N440Y428-N437 WeakPolarHBondContact CB-O 3.33Å; A434-N437 WeakPolarHBondContact O-CB 3.4Å; A434-N437 PolarHBondContact O-N 2.94Å; K435-N437 PolarHBondContact O-N 3.18Å; K435-N437 VanDerWaalsContact O-N 3.1Å; N437-C439 PolarHBondContact O-N 3.47Å; N437-C439 VanDerWaalsContact O-N 3.08Å; N437-C439 WeakPolarHBondContact OD1-CA 3.33Å; N437-C439 PolarHBondContact OD1-N 3.44Å; N437-N440 HydrophobicContact CB-CB 4.1Å; N437-N440 PolarHBondContact O-N 2.02Å; N437-N440 PolarHBondContact OD1-N 3.07Å
438P94.6Very high95.3Very high1 Ų150.3 Ų50.31%0.00623%0.227CC..THydrogen-bonded Turntrans-66-10.7-176.130.5-36.9000114.8N426 Y428 C444 R445 L448 N449N426-P438 PolarHBondContact ND2-O 2.85Å; Y428-P438 HydrophobicContact CD1-CB 3.99Å; Y428-P438 HydrophobicContact CD2-CB 3.91Å; Y428-P438 HydrophobicContact CE1-CB 4.15Å; Y428-P438 HydrophobicContact CE2-CB 4.06Å; Y428-P438 VanDerWaalsContact CG-CA 3.46Å; Y428-P438 HydrophobicContact CG-CB 3.87Å; P438-C444 WeakPolarHBondContact O-CA 3.4Å; P438-R445 HydrophobicContact CB-CB 4.13Å; P438-R445 WeakPolarHBondContact CB-O 3.42Å; P438-R445 WeakPolarHBondContact CG-O 3.45Å; P438-R445 PolarHBondContact O-N 2.96Å; P438-R445 VanDerWaalsContact O-N 3.11Å; P438-L448 HydrophobicContact CB-CB 4.26Å; P438-N449 HydrophobicContact CG-CB 4.27Å
439C93.3Very high95.1Very high18 Ų1850.1 Ų50.112%0.12223%0.227CC..THydrogen-bonded Turntrans-107.6-6.1178.3-68.30000114.8W217 N437 T441 C444 R445 E446W217-C439 VanDerWaalsContact CH2-O 3.31Å; W217-C439 WeakPolarHBondContact CH2-O 3.41Å; N437-C439 PolarHBondContact O-N 3.47Å; N437-C439 VanDerWaalsContact O-N 3.08Å; N437-C439 WeakPolarHBondContact OD1-CA 3.33Å; N437-C439 PolarHBondContact OD1-N 3.44Å; C439-T441 PolarHBondContact O-N 3.14Å; C439-C444 HydrophobicContact CB-CB 3.59Å; C439-C444 WeakPolarHBondContact CB-SG 3.48Å; C439-C444 WeakPolarHBondContact SG-CB 3.22Å; C439-C444 CovalentContact SG-SG 2.02Å; C439-C444 PolarHBondContact SG-SG 3.11Å; C439-R445 PolarHBondContact SG-N 3.2Å; C439-R445 VanDerWaalsContact SG-N 3.44Å; C439-E446 VanDerWaalsContact SG-CA 3.54Å; C439-E446 VanDerWaalsContact SG-CB 3.59Å; C439-E446 PolarHBondContact SG-N 3.03Å; C439-E446 PolarHBondContact SG-OE2 3.26Å
440N94.3Very high94.7Very high40 Ų4049.7 Ų49.721%0.21424%0.235CC..SBendtrans-80.243.5168.6-73.7-11.3000111.8P401 A434 N437P401-N440 HydrophobicContact CB-CB 3.76Å; P401-N440 WeakPolarHBondContact CB-O 3.47Å; P401-N440 HydrophobicContact CG-CB 3.78Å; A434-N440 WeakPolarHBondContact CA-O 3.45Å; A434-N440 HydrophobicContact CB-CB 4.34Å; A434-N440 VanDerWaalsContact O-CB 3.31Å; A434-N440 WeakPolarHBondContact O-CB 3.31Å; A434-N440 PolarHBondContact O-ND2 3.46Å; N437-N440 HydrophobicContact CB-CB 4.1Å; N437-N440 PolarHBondContact O-N 2.02Å; N437-N440 PolarHBondContact OD1-N 3.07Å
441T95.4Very high94.3Very high0 Ų045.2 Ų45.20%024%0.235CC..SBendtrans-137.5178.7-177.974.20000110.9W217 R402 N426 A434 C439 C443W217-T441 WeakPolarHBondContact CH2-O 3.44Å; W217-T441 WeakPolarHBondContact CZ2-O 3.31Å; R402-T441 VanDerWaalsContact CD-O 3.25Å; R402-T441 WeakPolarHBondContact CD-O 3.47Å; R402-T441 WeakPolarHBondContact CG-O 3.39Å; N426-T441 HydrophobicContact CB-CG2 4.48Å; N426-T441 VanDerWaalsContact CG-OG1 3.25Å; N426-T441 PolarHBondContact ND2-OG1 3.16Å; N426-T441 VanDerWaalsContact ND2-OG1 3.16Å; N426-T441 WeakPolarHBondContact OD1-CG2 3.27Å; A434-T441 HydrophobicContact CB-CG2 3.9Å; C439-T441 PolarHBondContact O-N 3.14Å; T441-C443 VanDerWaalsContact C-N 3.33Å; T441-C443 PolarHBondContact OG1-N 3.49Å; T441-C443 PolarHBondContact OG1-O 2.87Å
442I97.1Very high93.8Very high0 Ų050.3 Ų50.30%026%0.257CS..SBendtrans-71.8-28.7178.7-67.9172.5000112.1S198 W217 I405 F406 I422 Y425S198-I442 WeakPolarHBondContact CB-O 3.37Å; S198-I442 PolarHBondContact OG-O 2.78Å; W217-I442 VanDerWaalsContact CZ2-C 3.46Å; W217-I442 WeakPolarHBondContact CZ2-O 3.14Å; W217-I442 PolarHBondContact NE1-O 2.79Å; I405-I442 HydrophobicContact CB-CD1 4.44Å; I405-I442 HydrophobicContact CB-CG1 4.42Å; I405-I442 HydrophobicContact CG2-CD1 3.56Å; I405-I442 HydrophobicContact CG2-CG1 3.89Å; F406-I442 HydrophobicContact CD1-CD1 3.68Å; F406-I442 HydrophobicContact CD1-CG1 4.39Å; F406-I442 HydrophobicContact CE1-CD1 3.49Å; F406-I442 VanDerWaalsContact CE1-CD1 3.49Å; F406-I442 HydrophobicContact CE1-CG1 4.02Å; F406-I442 HydrophobicContact CE1-CG2 4.16Å; F406-I442 HydrophobicContact CE2-CG1 4.25Å; F406-I442 HydrophobicContact CG-CD1 4.28Å; F406-I442 HydrophobicContact CZ-CD1 3.97Å; F406-I442 HydrophobicContact CZ-CG1 3.95Å; F406-I442 HydrophobicContact CZ-CG2 3.83Å; I422-I442 HydrophobicContact CD1-CD1 4.25Å; I422-I442 HydrophobicContact CG1-CD1 3.59Å; I422-I442 WeakPolarHBondContact O-CG2 3.47Å; Y425-I442 HydrophobicContact CD1-CD1 4.46Å; Y425-I442 PolarHBondContact O-N 3.05Å
443C96.8Very high93.4Very high0 Ų047.4 Ų47.40%024%0.239CC..SBendtrans-134.287.5-178.9-168.10000109.7Y425 N426 T441 C458 P481Y425-C443 PolarHBondContact O-N 2.84Å; Y425-C443 VanDerWaalsContact O-N 3.15Å; N426-C443 WeakPolarHBondContact CB-O 3.43Å; N426-C443 PolarHBondContact ND2-O 3.41Å; T441-C443 VanDerWaalsContact C-N 3.33Å; T441-C443 PolarHBondContact OG1-N 3.49Å; T441-C443 PolarHBondContact OG1-O 2.87Å; C443-C458 WeakPolarHBondContact CA-SG 3.04Å; C443-C458 HydrophobicContact CB-CB 3.68Å; C443-C458 WeakPolarHBondContact CB-SG 3.47Å; C443-C458 WeakPolarHBondContact SG-CB 3.3Å; C443-C458 CovalentContact SG-SG 2.03Å; C443-C458 PolarHBondContact SG-SG 2.78Å; C443-P481 HydrophobicContact CB-CG 3.98Å; C443-P481 WeakPolarHBondContact O-CG 3.42Å; C443-P481 WeakPolarHBondContact SG-CD 3.47Å; C443-P481 WeakPolarHBondContact SG-CG 3.44Å
444C95.4Very high93.2Very high7 Ų745.1 Ų45.15%0.04723%0.234CC..  trans-55.6148-175.2156.60000115.3W217 P438 C439 G457 C458W217-C444 HydrophobicContact CD2-CB 3.6Å; W217-C444 HydrophobicContact CE3-CB 3.21Å; W217-C444 HydrophobicContact CG-CB 4.49Å; W217-C444 HydrophobicContact CH2-CB 3.43Å; W217-C444 VanDerWaalsContact CH2-CB 3.43Å; W217-C444 HydrophobicContact CZ2-CB 3.73Å; W217-C444 HydrophobicContact CZ3-CB 3.17Å; P438-C444 WeakPolarHBondContact O-CA 3.4Å; C439-C444 HydrophobicContact CB-CB 3.59Å; C439-C444 WeakPolarHBondContact CB-SG 3.48Å; C439-C444 WeakPolarHBondContact SG-CB 3.22Å; C439-C444 CovalentContact SG-SG 2.02Å; C439-C444 PolarHBondContact SG-SG 3.11Å; C444-G457 WeakPolarHBondContact SG-CA 3.4Å; C444-C458 WeakPolarHBondContact O-CB 3.5Å; C444-C458 PolarHBondContact O-N 2.83Å
445R96.4Very high93.2Very high1 Ų145.8 Ų45.80%0.00424%0.238CC..BIsolated β-bridgetrans-132.666.8177.3-73.4-65.3-56-92.12.2110.9N426 P438 C439 D447 L448 P480 P481 L486 P487N426-R445 WeakPolarHBondContact ND2-CG 3.1Å; P438-R445 HydrophobicContact CB-CB 4.13Å; P438-R445 WeakPolarHBondContact CB-O 3.42Å; P438-R445 WeakPolarHBondContact CG-O 3.45Å; P438-R445 PolarHBondContact O-N 2.96Å; P438-R445 VanDerWaalsContact O-N 3.11Å; C439-R445 PolarHBondContact SG-N 3.2Å; C439-R445 VanDerWaalsContact SG-N 3.44Å; R445-D447 WeakPolarHBondContact CA-OD1 3.3Å; R445-D447 IonicContact CZ-OD1 2.73Å; R445-D447 IonicContact CZ-OD2 2.79Å; R445-D447 IonicContact NE-OD1 3.6Å; R445-D447 PolarHBondContact NE-OD1 2.74Å; R445-D447 IonicContact NE-OD2 3.53Å; R445-D447 PolarHBondContact NE-OD2 3.45Å; R445-D447 IonicContact NH2-OD1 2.61Å; R445-D447 IonicContact NH2-OD2 3.19Å; R445-D447 PolarHBondContact NH2-OD2 3.07Å; R445-D447 PolarHBondContact O-N 2.69Å; R445-D447 VanDerWaalsContact O-N 3.15Å; R445-L448 HydrophobicContact CB-CB 4.27Å; R445-L448 HydrophobicContact CB-CD1 3.85Å; R445-L448 HydrophobicContact CB-CG 3.98Å; R445-L448 HydrophobicContact CG-CD1 4.18Å; R445-L448 WeakPolarHBondContact O-CB 3.47Å; R445-L448 PolarHBondContact O-N 2.87Å; R445-P480 VanDerWaalsContact CD-CB 3.41Å; R445-P481 VanDerWaalsContact CD-CD 3.5Å; R445-P481 HydrophobicContact CG-CG 3.82Å; R445-P481 PolarHBondContact NH1-O 3.4Å; R445-L486 HydrophobicContact CG-CD1 4.21Å; R445-P487 PolarHBondContact NH1-O 3.48Å; R445-P487 PolarHBondContact NH2-O 3.09Å; R445-P487 VanDerWaalsContact NH2-O 3.08Å
446E94.1Very high93.1Very high31 Ų3139.9 Ų39.915%0.14521%0.213CC..G310 helixtrans-65.8-20.7-175.5-165.960.7-163.300111.6C439 L448 N449 V454 A456C439-E446 VanDerWaalsContact SG-CA 3.54Å; C439-E446 VanDerWaalsContact SG-CB 3.59Å; C439-E446 PolarHBondContact SG-N 3.03Å; C439-E446 PolarHBondContact SG-OE2 3.26Å; E446-L448 PolarHBondContact O-N 3.31Å; E446-L448 VanDerWaalsContact O-N 3.14Å; E446-N449 WeakPolarHBondContact O-CB 3.36Å; E446-N449 PolarHBondContact O-N 2.84Å; E446-N449 PolarHBondContact OE1-ND2 3.4Å; E446-V454 CarbonylContact C-O 3.28Å; E446-V454 VanDerWaalsContact C-O 3.28Å; E446-V454 HydrophobicContact CB-CG2 3.94Å; E446-V454 HydrophobicContact CG-CG2 3.26Å; E446-V454 PolarHBondContact O-N 3.06Å; E446-A456 VanDerWaalsContact CB-O 3.3Å; E446-A456 WeakPolarHBondContact CB-O 3.26Å; E446-A456 PolarHBondContact N-O 3.42Å; E446-A456 VanDerWaalsContact N-O 3.14Å
447D95.3Very high93.2Very high5 Ų530.5 Ų30.53%0.02718%0.179CC..G310 helixtrans-61.5-20.6171.271.4-63.3000112.9Y220 R445 P453 V454 F489 R493 F494Y220-D447 HydrophobicContact CE2-CB 3.99Å; Y220-D447 PolarHBondContact OH-OD1 3.32Å; R445-D447 WeakPolarHBondContact CA-OD1 3.3Å; R445-D447 IonicContact CZ-OD1 2.73Å; R445-D447 IonicContact CZ-OD2 2.79Å; R445-D447 IonicContact NE-OD1 3.6Å; R445-D447 PolarHBondContact NE-OD1 2.74Å; R445-D447 IonicContact NE-OD2 3.53Å; R445-D447 PolarHBondContact NE-OD2 3.45Å; R445-D447 IonicContact NH2-OD1 2.61Å; R445-D447 IonicContact NH2-OD2 3.19Å; R445-D447 PolarHBondContact NH2-OD2 3.07Å; R445-D447 PolarHBondContact O-N 2.69Å; R445-D447 VanDerWaalsContact O-N 3.15Å; D447-P453 WeakPolarHBondContact O-CB 3.33Å; D447-V454 WeakPolarHBondContact CA-O 3.47Å; D447-V454 PolarHBondContact N-O 3.03Å; D447-F489 HydrophobicContact CB-CD2 4.11Å; D447-F489 HydrophobicContact CB-CE2 4.23Å; D447-R493 PolarHBondContact O-NH1 3.17Å; D447-F494 HydrophobicContact CB-CE2 3.78Å; D447-F494 HydrophobicContact CB-CZ 3.69Å
448L95.8Very high93.4Very high25 Ų2528 Ų2813%0.13117%0.166CC..G310 helixtrans-96.55.1175.8-56.1-176.8000113.4Y428 P438 R445 E446 L486 P487Y428-L448 HydrophobicContact CE1-CD1 4.29Å; P438-L448 HydrophobicContact CB-CB 4.26Å; R445-L448 HydrophobicContact CB-CB 4.27Å; R445-L448 HydrophobicContact CB-CD1 3.85Å; R445-L448 HydrophobicContact CB-CG 3.98Å; R445-L448 HydrophobicContact CG-CD1 4.18Å; R445-L448 WeakPolarHBondContact O-CB 3.47Å; R445-L448 PolarHBondContact O-N 2.87Å; E446-L448 PolarHBondContact O-N 3.31Å; E446-L448 VanDerWaalsContact O-N 3.14Å; L448-L486 HydrophobicContact CD1-CD2 3.93Å; L448-P487 HydrophobicContact CD1-CG 4.15Å; L448-P487 HydrophobicContact CD2-CG 3.64Å
449N91.8Very high93.4Very high25 Ų2528.1 Ų28.113%0.13417%0.166CC..  trans-61.7126.5173.9-171.8-43.9000109.4P438 E446 S451 F452P438-N449 HydrophobicContact CG-CB 4.27Å; E446-N449 WeakPolarHBondContact O-CB 3.36Å; E446-N449 PolarHBondContact O-N 2.84Å; E446-N449 PolarHBondContact OE1-ND2 3.4Å; N449-S451 VanDerWaalsContact C-N 3.32Å; N449-S451 PolarHBondContact O-N 3.11Å; N449-S451 PolarHBondContact OD1-N 3.49Å; N449-F452 PolarHBondContact OD1-N 2.89Å
450P87.3Confident93.7Very high111 Ų11127.2 Ų27.272%0.72116%0.16SC*.SBendtrans-71.9-26.3-176.628.5-35.3000113.1
451S87.9Confident93.9Very high111 Ų11125.3 Ų25.378%0.77615%0.15SC*.SBendtrans-90.3-51.9-175.2-56.90000111.6N449N449-S451 VanDerWaalsContact C-N 3.32Å; N449-S451 PolarHBondContact O-N 3.11Å; N449-S451 PolarHBondContact OD1-N 3.49Å
452F85.9Confident94Very high112 Ų11225.3 Ų25.349%0.49115%0.15SC..SBendtrans-139.380.7-177-166.5-106000110.4N449 V454N449-F452 PolarHBondContact OD1-N 2.89Å; F452-V454 HydrophobicContact CD1-CG1 3.67Å; F452-V454 HydrophobicContact CE1-CG1 3.39Å; F452-V454 HydrophobicContact CZ-CG1 4.28Å; F452-V454 PolarHBondContact O-N 3.12Å
453P91Very high94.1Very high38 Ų3825.3 Ų25.325%0.24715%0.15CC..  trans-67.9128.8179.630.9-38.3000110.4D447 R493 F494D447-P453 WeakPolarHBondContact O-CB 3.33Å; P453-R493 VanDerWaalsContact CB-NH2 3.34Å; P453-R493 VanDerWaalsContact CG-NH2 3.26Å; P453-F494 HydrophobicContact CB-CE1 4.11Å; P453-F494 HydrophobicContact CB-CZ 4.06Å
454V90.8Very high94.2Very high38 Ų3825.3 Ų25.323%0.2315%0.15CC..  trans-128.5145.6171-66.80000110.6E446 D447 F452 A456E446-V454 CarbonylContact C-O 3.28Å; E446-V454 VanDerWaalsContact C-O 3.28Å; E446-V454 HydrophobicContact CB-CG2 3.94Å; E446-V454 HydrophobicContact CG-CG2 3.26Å; E446-V454 PolarHBondContact O-N 3.06Å; D447-V454 WeakPolarHBondContact CA-O 3.47Å; D447-V454 PolarHBondContact N-O 3.03Å; F452-V454 HydrophobicContact CD1-CG1 3.67Å; F452-V454 HydrophobicContact CE1-CG1 3.39Å; F452-V454 HydrophobicContact CZ-CG1 4.28Å; F452-V454 PolarHBondContact O-N 3.12Å; V454-A456 HydrophobicContact CG2-CB 4.12Å; V454-A456 PolarHBondContact O-N 2.98Å
455P93.9Very high94.4Very high14 Ų1425.8 Ų25.89%0.09115%0.152CC..SBendtrans-77.169.3-179.333.3-33.6000109.8Y220 F489 W491 F494 T497Y220-P455 VanDerWaalsContact CB-O 3.31Å; Y220-P455 WeakPolarHBondContact CB-O 3.47Å; Y220-P455 VanDerWaalsContact CD2-C 3.43Å; Y220-P455 HydrophobicContact CD2-CB 4Å; Y220-P455 HydrophobicContact CG-CB 4.49Å; Y220-P455 PolarHBondContact N-O 3.36Å; P455-F489 HydrophobicContact CB-CE2 4.13Å; P455-F489 HydrophobicContact CB-CZ 4.1Å; P455-W491 HydrophobicContact CB-CH2 4.38Å; P455-W491 HydrophobicContact CB-CZ3 3.94Å; P455-W491 HydrophobicContact CG-CZ3 4.28Å; P455-F494 HydrophobicContact CB-CB 4.04Å; P455-F494 HydrophobicContact CB-CD1 4Å; P455-F494 HydrophobicContact CB-CD2 4.07Å; P455-F494 HydrophobicContact CB-CE1 4.46Å; P455-F494 HydrophobicContact CB-CG 3.76Å; P455-F494 HydrophobicContact CG-CB 4.06Å; P455-F494 HydrophobicContact CG-CD1 3.92Å; P455-F494 HydrophobicContact CG-CG 4.02Å; P455-T497 HydrophobicContact CG-CG2 4.21Å
456A93.3Very high94.5Very high5 Ų528.4 Ų28.44%0.04116%0.163CC..EExtended strand (participates in β ladder)trans-147.1163-176.900000111F218 Y220 E446 V454F218-A456 WeakPolarHBondContact O-CA 3.44Å; Y220-A456 VanDerWaalsContact CE1-C 3.42Å; Y220-A456 PolarHBondContact OH-O 3.49Å; E446-A456 VanDerWaalsContact CB-O 3.3Å; E446-A456 WeakPolarHBondContact CB-O 3.26Å; E446-A456 PolarHBondContact N-O 3.42Å; E446-A456 VanDerWaalsContact N-O 3.14Å; V454-A456 HydrophobicContact CG2-CB 4.12Å; V454-A456 PolarHBondContact O-N 2.98Å
457G94.2Very high94.6Very high5 Ų535.3 Ų35.35%0.05219%0.188CC..EExtended strand (participates in β ladder)trans125.8-158.7-178.900000110.9W217 F218 Y220 C444 Y459W217-G457 CarbonylContact C-O 3.56Å; W217-G457 WeakPolarHBondContact CA-O 3.41Å; W217-G457 WeakPolarHBondContact CB-O 3.38Å; F218-G457 PolarHBondContact N-O 3.39Å; F218-G457 VanDerWaalsContact N-O 3.09Å; F218-G457 PolarHBondContact O-N 3.41Å; F218-G457 VanDerWaalsContact O-N 3.07Å; F218-G457 VanDerWaalsContact O-O 3.11Å; Y220-G457 WeakPolarHBondContact CE1-O 3.35Å; C444-G457 WeakPolarHBondContact SG-CA 3.4Å; G457-Y459 PolarHBondContact O-N 3.5Å
458C96.4Very high94.8Very high0 Ų037.4 Ų37.40%020%0.199CC..EExtended strand (participates in β ladder)trans-66.9125.5-177.9-1770000110.6S216 W217 C443 C444 P480S216-C458 CarbonylContact O-C 3.3Å; S216-C458 VanDerWaalsContact O-CA 3.3Å; S216-C458 WeakPolarHBondContact O-CA 3.12Å; W217-C458 VanDerWaalsContact CD1-CA 3.42Å; W217-C458 HydrophobicContact CD2-CB 4.38Å; W217-C458 HydrophobicContact CG-CB 3.88Å; C443-C458 WeakPolarHBondContact CA-SG 3.04Å; C443-C458 HydrophobicContact CB-CB 3.68Å; C443-C458 WeakPolarHBondContact CB-SG 3.47Å; C443-C458 WeakPolarHBondContact SG-CB 3.3Å; C443-C458 CovalentContact SG-SG 2.03Å; C443-C458 PolarHBondContact SG-SG 2.78Å; C444-C458 WeakPolarHBondContact O-CB 3.5Å; C444-C458 PolarHBondContact O-N 2.83Å; C458-P480 WeakPolarHBondContact O-CA 3.4Å
459Y95.9Very high94.9Very high4 Ų436.4 Ų36.42%0.01619%0.194CC..  trans-1293.4179.463.6-121.2000114.6S216 F218 Y220 A222 T223 R225 Y249 G457 N478 G479S216-Y459 PolarHBondContact O-N 3.19Å; F218-Y459 HydrophobicContact CB-CE1 3.62Å; Y220-Y459 HydrophobicContact CD1-CD1 4.13Å; A222-Y459 HydrophobicContact CB-CE1 4.06Å; T223-Y459 VanDerWaalsContact CG2-CB 3.45Å; T223-Y459 HydrophobicContact CG2-CD1 3.94Å; T223-Y459 HydrophobicContact CG2-CD2 3.95Å; T223-Y459 HydrophobicContact CG2-CG 3.52Å; R225-Y459 VanDerWaalsContact NH1-CE2 3.27Å; Y249-Y459 WeakPolarHBondContact OH-CE2 3.25Å; Y249-Y459 PolarHBondContact OH-OH 3.15Å; G457-Y459 PolarHBondContact O-N 3.5Å; Y459-N478 CarbonylContact O-C 3.59Å; Y459-N478 PolarHBondContact O-OD1 3.41Å; Y459-N478 VanDerWaalsContact O-OD1 3.11Å; Y459-G479 CarbonylContact C-O 3.53Å; Y459-G479 CarbonylContact O-C 3.55Å; Y459-G479 WeakPolarHBondContact O-CA 3.36Å; Y459-G479 PolarHBondContact O-N 2.81Å
460D98Very high95.1Very high0 Ų039.6 Ų39.60%022%0.219CC..EExtended strand (participates in β ladder)trans-149.2171.6168.174.828.8000112.4W40 S215 S216 R225 K462 I477W40-D460 HydrophobicContact CZ2-CB 4.24Å; S215-D460 VanDerWaalsContact CA-O 3.29Å; S215-D460 WeakPolarHBondContact CA-O 3.44Å; S215-D460 VanDerWaalsContact CB-O 3.28Å; S215-D460 WeakPolarHBondContact CB-O 3.24Å; S215-D460 PolarHBondContact OG-O 3.47Å; S216-D460 WeakPolarHBondContact CB-OD1 3.5Å; S216-D460 PolarHBondContact N-OD1 3.14Å; S216-D460 PolarHBondContact OG-OD1 2.81Å; S216-D460 PolarHBondContact OG-OD2 3.46Å; R225-D460 IonicContact CZ-OD2 2.97Å; R225-D460 VanDerWaalsContact NH1-CB 3.31Å; R225-D460 IonicContact NH1-OD2 2.87Å; R225-D460 PolarHBondContact NH1-OD2 3.07Å; R225-D460 IonicContact NH2-OD2 3.29Å; R225-D460 PolarHBondContact NH2-OD2 3.25Å; D460-K462 HydrophobicContact CB-CD 4.43Å; D460-K462 VanDerWaalsContact CG-NZ 3.25Å; D460-K462 IonicContact OD1-NZ 3.79Å; D460-K462 PolarHBondContact OD1-NZ 3.4Å; D460-K462 WeakPolarHBondContact OD2-CD 3.43Å; D460-K462 IonicContact OD2-NZ 3.61Å; D460-K462 PolarHBondContact OD2-NZ 3.33Å; D460-I477 WeakPolarHBondContact CA-O 3.28Å; D460-I477 WeakPolarHBondContact CB-O 3.35Å
461S98.6Very high95.6Very high0 Ų036.9 Ų36.90%021%0.206CC..EExtended strand (participates in β ladder)trans-144.6136.3155.1-58.80000109.4H214 S215 M423 R424 A476 I477H214-S461 CarbonylContact O-C 3.5Å; H214-S461 WeakPolarHBondContact O-CA 3.39Å; S215-S461 PolarHBondContact OG-OG 2.95Å; M423-S461 PolarHBondContact O-OG 2.73Å; R424-S461 WeakPolarHBondContact CD-OG 3.31Å; S461-A476 CarbonylContact O-C 3.55Å; S461-A476 VanDerWaalsContact O-CA 3.28Å; S461-A476 WeakPolarHBondContact O-CA 3.29Å; S461-I477 PolarHBondContact N-O 2.9Å; S461-I477 VanDerWaalsContact N-O 3.14Å; S461-I477 PolarHBondContact O-N 3.08Å
462K98.8Very high96.1Very high0 Ų032.4 Ų32.40%017%0.172CC..EExtended strand (participates in β ladder)trans-115.4132.5169.7-62.281.655.8171.90108.4W40 A213 H214 S216 S247 D257 F259 D460 T475 A476W40-K462 HydrophobicContact CH2-CD 4.42Å; A213-K462 CarbonylContact C-O 3.5Å; A213-K462 WeakPolarHBondContact CA-O 2.96Å; A213-K462 WeakPolarHBondContact CB-O 3.15Å; H214-K462 PolarHBondContact N-O 3.34Å; H214-K462 PolarHBondContact ND1-NZ 2.99Å; H214-K462 PolarHBondContact O-N 3.18Å; S216-K462 PolarHBondContact OG-NZ 2.98Å; S247-K462 WeakPolarHBondContact OG-CD 3.03Å; S247-K462 WeakPolarHBondContact OG-CE 3.4Å; D257-K462 IonicContact OD2-NZ 2.7Å; D257-K462 PolarHBondContact OD2-NZ 3.06Å; F259-K462 HydrophobicContact CB-CB 4.42Å; F259-K462 HydrophobicContact CD1-CB 3.96Å; F259-K462 HydrophobicContact CD1-CG 4.32Å; F259-K462 HydrophobicContact CD2-CB 3.59Å; F259-K462 HydrophobicContact CE1-CB 4.11Å; F259-K462 HydrophobicContact CE2-CB 3.72Å; F259-K462 HydrophobicContact CG-CB 3.73Å; F259-K462 HydrophobicContact CG-CG 4.21Å; F259-K462 HydrophobicContact CZ-CB 3.99Å; D460-K462 HydrophobicContact CB-CD 4.43Å; D460-K462 VanDerWaalsContact CG-NZ 3.25Å; D460-K462 IonicContact OD1-NZ 3.79Å; D460-K462 PolarHBondContact OD1-NZ 3.4Å; D460-K462 WeakPolarHBondContact OD2-CD 3.43Å; D460-K462 IonicContact OD2-NZ 3.61Å; D460-K462 PolarHBondContact OD2-NZ 3.33Å; K462-T475 CarbonylContact C-O 3.56Å; K462-T475 WeakPolarHBondContact CA-O 3.49Å; K462-A476 HydrophobicContact CG-CB 3.99Å
463V98.8Very high96.8Very high0 Ų027.7 Ų27.70%015%0.153CC..EExtended strand (participates in β ladder)trans-137.2132.2-176.7-170.70000109.2A213 L416 M419 K420 T475 F510A213-V463 HydrophobicContact CB-CB 4.25Å; A213-V463 HydrophobicContact CB-CG1 4.19Å; A213-V463 HydrophobicContact CB-CG2 3.85Å; L416-V463 HydrophobicContact CD1-CB 4.46Å; L416-V463 HydrophobicContact CD1-CG1 3.62Å; L416-V463 HydrophobicContact CG-CG1 4.49Å; M419-V463 HydrophobicContact CB-CG1 3.89Å; M419-V463 HydrophobicContact CG-CG1 3.45Å; M419-V463 VanDerWaalsContact CG-CG1 3.45Å; K420-V463 HydrophobicContact CG-CB 4.25Å; K420-V463 HydrophobicContact CG-CG2 3.88Å; V463-T475 PolarHBondContact N-O 3.11Å; V463-T475 PolarHBondContact O-N 2.99Å; V463-T475 PolarHBondContact O-OG1 3.46Å; V463-T475 VanDerWaalsContact O-OG1 3.14Å; V463-F510 HydrophobicContact CG2-CE1 4.17Å
464S98.8Very high97.1Very high0 Ų025.9 Ų25.90%014%0.141CC..EExtended strand (participates in β ladder)trans-143.9178.4170.2-169.50000110.4F212 L468 A469 T473F212-S464 PolarHBondContact N-O 3.49Å; F212-S464 PolarHBondContact O-N 3.04Å; S464-L468 VanDerWaalsContact OG-CB 3.24Å; S464-L468 WeakPolarHBondContact OG-CB 3.22Å; S464-A469 PolarHBondContact OG-N 3.19Å; S464-T473 PolarHBondContact OG-O 3.23Å
465D98.8Very high97.5Very high17 Ų1724.5 Ų24.59%0.09113%0.133CC..EExtended strand (participates in β ladder)trans-140.6178177.878.513.3000111N209 I210 Y211 R467 L468 A469N209-D465 PolarHBondContact ND2-OD2 3.24Å; I210-D465 VanDerWaalsContact O-CA 3.24Å; I210-D465 WeakPolarHBondContact O-CA 3.39Å; I210-D465 WeakPolarHBondContact O-CB 3.3Å; Y211-D465 HydrophobicContact CD1-CB 3.51Å; Y211-D465 HydrophobicContact CE1-CB 3.59Å; Y211-D465 HydrophobicContact CG-CB 4.46Å; D465-R467 VanDerWaalsContact C-N 3.28Å; D465-R467 PolarHBondContact O-N 3.15Å; D465-R467 PolarHBondContact OD1-N 3.35Å; D465-L468 PolarHBondContact O-N 3.27Å; D465-L468 WeakPolarHBondContact OD1-CG 3.49Å; D465-L468 PolarHBondContact OD1-N 3.38Å; D465-A469 WeakPolarHBondContact O-CB 3.47Å; D465-A469 PolarHBondContact O-N 3.04Å
466F98.5Very high97.7Very high55 Ų5523.9 Ų23.924%0.24113%0.128CC..Hα-helixtrans-50.5-44.8-178.9-173.9-87.5000113.6I210 L329 V332 L334 S470I210-F466 HydrophobicContact CG2-CB 3.94Å; I210-F466 HydrophobicContact CG2-CD2 4.2Å; I210-F466 PolarHBondContact O-N 3.1Å; I210-F466 VanDerWaalsContact O-N 3.17Å; L329-F466 HydrophobicContact CB-CD2 4.41Å; L329-F466 HydrophobicContact CB-CE2 4.21Å; L329-F466 HydrophobicContact CD2-CD2 4.18Å; L329-F466 WeakPolarHBondContact O-CE2 3.39Å; V332-F466 HydrophobicContact CB-CD2 4.03Å; V332-F466 HydrophobicContact CB-CE2 3.84Å; V332-F466 HydrophobicContact CG1-CD2 3.81Å; V332-F466 HydrophobicContact CG1-CE2 3.97Å; L334-F466 HydrophobicContact CD1-CB 4.44Å; L334-F466 HydrophobicContact CD1-CD1 3.68Å; L334-F466 HydrophobicContact CD1-CE1 4.11Å; L334-F466 HydrophobicContact CD1-CG 4.06Å; L334-F466 HydrophobicContact CD2-CB 4.34Å; L334-F466 HydrophobicContact CD2-CD2 4.34Å; L334-F466 HydrophobicContact CD2-CG 4.17Å; L334-F466 HydrophobicContact CG-CD1 4.18Å; L334-F466 HydrophobicContact CG-CD2 4.49Å; L334-F466 HydrophobicContact CG-CE1 4.39Å; L334-F466 HydrophobicContact CG-CG 4.23Å; F466-S470 PolarHBondContact O-N 3.2Å
467R97.8Very high98Very high177 Ų17724.2 Ų24.267%0.66813%0.13SC*.Hα-helixtrans-78-45-174.7-65.3-175.6-176.1-171.31.5111D465 A469 S470D465-R467 VanDerWaalsContact C-N 3.28Å; D465-R467 PolarHBondContact O-N 3.15Å; D465-R467 PolarHBondContact OD1-N 3.35Å; R467-A469 VanDerWaalsContact C-N 3.3Å; R467-A469 PolarHBondContact O-N 2.85Å; R467-S470 PolarHBondContact O-N 3.09Å; R467-S470 PolarHBondContact O-OG 3.46Å
468L98.4Very high98.2Very high48 Ų4824 Ų2425%0.25113%0.127SC..Hα-helixtrans-61.1-41.3177.5-67.3177.5000111.2L416 S464 D465 S470 A471 F472 T473L416-L468 HydrophobicContact CD1-CD1 4.23Å; L416-L468 HydrophobicContact CD2-CD1 4.03Å; S464-L468 VanDerWaalsContact OG-CB 3.24Å; S464-L468 WeakPolarHBondContact OG-CB 3.22Å; D465-L468 PolarHBondContact O-N 3.27Å; D465-L468 WeakPolarHBondContact OD1-CG 3.49Å; D465-L468 PolarHBondContact OD1-N 3.38Å; L468-S470 VanDerWaalsContact C-N 3.34Å; L468-S470 PolarHBondContact O-N 3.5Å; L468-A471 CarbonylContact O-C 3.55Å; L468-A471 PolarHBondContact O-N 2.97Å; L468-A471 VanDerWaalsContact O-N 3.07Å; L468-F472 PolarHBondContact O-N 2.71Å; L468-T473 CarbonylContact C-O 3.57Å; L468-T473 HydrophobicContact CB-CG2 4.5Å; L468-T473 WeakPolarHBondContact CB-O 3.46Å; L468-T473 HydrophobicContact CD2-CG2 3.95Å; L468-T473 WeakPolarHBondContact O-CA 3.37Å; L468-T473 WeakPolarHBondContact O-CB 3.43Å; L468-T473 PolarHBondContact O-N 3.13Å
469A98.3Very high98.2Very high4 Ų424.1 Ų24.13%0.03313%0.128CC..Hα-helixtrans-58.7-42.1176.700000113.1F212 I261 I267 L329 S464 D465 R467 A471 F472F212-A469 HydrophobicContact CE1-CB 4.08Å; F212-A469 HydrophobicContact CZ-CB 3.78Å; I261-A469 HydrophobicContact CG2-CB 4.37Å; I261-A469 WeakPolarHBondContact CG2-O 3.34Å; I267-A469 HydrophobicContact CD1-CB 4.06Å; L329-A469 HydrophobicContact CD1-CB 3.47Å; L329-A469 VanDerWaalsContact CD1-CB 3.47Å; S464-A469 PolarHBondContact OG-N 3.19Å; D465-A469 WeakPolarHBondContact O-CB 3.47Å; D465-A469 PolarHBondContact O-N 3.04Å; R467-A469 VanDerWaalsContact C-N 3.3Å; R467-A469 PolarHBondContact O-N 2.85Å; A469-A471 PolarHBondContact O-N 2.91Å; A469-A471 VanDerWaalsContact O-N 3.15Å; A469-F472 PolarHBondContact O-N 3.15Å
470S96.9Very high98.3Very high93 Ų9324 Ų2465%0.6513%0.128SC*.Hα-helixtrans-60.6-24.9177.775.10000113.2F466 R467 L468F466-S470 PolarHBondContact O-N 3.2Å; R467-S470 PolarHBondContact O-N 3.09Å; R467-S470 PolarHBondContact O-OG 3.46Å; L468-S470 VanDerWaalsContact C-N 3.34Å; L468-S470 PolarHBondContact O-N 3.5Å
471A97.8Very high98.3Very high53 Ų5324 Ų2444%0.43813%0.128SC..THydrogen-bonded Turntrans-98.515.5174.700000113.2L468 A469 T473L468-A471 CarbonylContact O-C 3.55Å; L468-A471 PolarHBondContact O-N 2.97Å; L468-A471 VanDerWaalsContact O-N 3.07Å; A469-A471 PolarHBondContact O-N 2.91Å; A469-A471 VanDerWaalsContact O-N 3.15Å; A471-T473 PolarHBondContact O-N 3.14Å; A471-T473 PolarHBondContact O-OG1 2.92Å; A471-T473 VanDerWaalsContact O-OG1 3.08Å
472F98.4Very high98.2Very high18 Ų1826.2 Ų26.28%0.07914%0.141CC..THydrogen-bonded Turntrans51.239.3-175-70.9-101000112.7R243 I261 L468 A469 P515R243-F472 HydrophobicContact CB-CE1 4.37Å; R243-F472 HydrophobicContact CB-CZ 4.22Å; R243-F472 VanDerWaalsContact CD-CZ 3.48Å; R243-F472 HydrophobicContact CG-CD1 4.44Å; R243-F472 HydrophobicContact CG-CE1 3.7Å; R243-F472 HydrophobicContact CG-CE2 4.39Å; R243-F472 HydrophobicContact CG-CZ 3.64Å; I261-F472 HydrophobicContact CG2-CD1 4.12Å; I261-F472 HydrophobicContact CG2-CG 4.48Å; L468-F472 PolarHBondContact O-N 2.71Å; A469-F472 PolarHBondContact O-N 3.15Å; F472-P515 HydrophobicContact CB-CG 3.94Å; F472-P515 VanDerWaalsContact O-CD 3.28Å; F472-P515 WeakPolarHBondContact O-CD 3.49Å
473T98.7Very high97.7Very high13 Ų1328.4 Ų28.48%0.0815%0.152CC..  trans-113.5139.9-174.7-59.70000111I261 S464 L468 A471 T512 M513 R514I261-T473 WeakPolarHBondContact CD1-O 3.47Å; S464-T473 PolarHBondContact OG-O 3.23Å; L468-T473 CarbonylContact C-O 3.57Å; L468-T473 HydrophobicContact CB-CG2 4.5Å; L468-T473 WeakPolarHBondContact CB-O 3.46Å; L468-T473 HydrophobicContact CD2-CG2 3.95Å; L468-T473 WeakPolarHBondContact O-CA 3.37Å; L468-T473 WeakPolarHBondContact O-CB 3.43Å; L468-T473 PolarHBondContact O-N 3.13Å; A471-T473 PolarHBondContact O-N 3.14Å; A471-T473 PolarHBondContact O-OG1 2.92Å; A471-T473 VanDerWaalsContact O-OG1 3.08Å; T473-T512 HydrophobicContact CG2-CG2 3.71Å; T473-M513 VanDerWaalsContact CA-O 3.24Å; T473-M513 WeakPolarHBondContact CA-O 3.33Å; T473-R514 HydrophobicContact CG2-CB 4.24Å; T473-R514 WeakPolarHBondContact OG1-CB 3.35Å
474A98.6Very high97.1Very high0 Ų031.8 Ų31.80%019%0.186CC..EExtended strand (participates in β ladder)trans-139.6166.1167.200000110.3Y227 F259 I261 M513Y227-A474 WeakPolarHBondContact OH-CB 3.49Å; F259-A474 HydrophobicContact CE1-CB 3.8Å; F259-A474 HydrophobicContact CZ-CB 3.96Å; I261-A474 HydrophobicContact CD1-CB 4.26Å; A474-M513 PolarHBondContact N-O 3.1Å; A474-M513 PolarHBondContact O-N 3.35Å
475T98.5Very high96.8Very high9 Ų935.4 Ų35.46%0.05522%0.223CC..EExtended strand (participates in β ladder)trans-107.1135164.759.20000108.9L416 K420 K462 V463 V511L416-T475 HydrophobicContact CD2-CG2 4.3Å; K420-T475 WeakPolarHBondContact CE-OG1 3.49Å; K462-T475 CarbonylContact C-O 3.56Å; K462-T475 WeakPolarHBondContact CA-O 3.49Å; V463-T475 PolarHBondContact N-O 3.11Å; V463-T475 PolarHBondContact O-N 2.99Å; V463-T475 PolarHBondContact O-OG1 3.46Å; V463-T475 VanDerWaalsContact O-OG1 3.14Å; T475-V511 CarbonylContact C-O 3.52Å; T475-V511 VanDerWaalsContact CA-O 3.29Å; T475-V511 WeakPolarHBondContact CA-O 3.31Å
476A98.6Very high96.7Very high0 Ų035.3 Ų35.30%022%0.223CC..EExtended strand (participates in β ladder)trans-136.8144.5-17700000111.7W40 Y227 S461 K462 F510 V511 M513W40-A476 HydrophobicContact CZ2-CB 3.86Å; Y227-A476 HydrophobicContact CD2-CB 4.48Å; S461-A476 CarbonylContact O-C 3.55Å; S461-A476 VanDerWaalsContact O-CA 3.28Å; S461-A476 WeakPolarHBondContact O-CA 3.29Å; K462-A476 HydrophobicContact CG-CB 3.99Å; A476-F510 CarbonylContact O-C 3.54Å; A476-F510 WeakPolarHBondContact O-CA 3.48Å; A476-V511 PolarHBondContact N-O 3.27Å; A476-V511 WeakPolarHBondContact O-CG2 3.47Å; A476-V511 PolarHBondContact O-N 2.89Å; A476-M513 HydrophobicContact CB-CE 4.01Å; A476-M513 HydrophobicContact CB-CG 4.04Å
477I98.7Very high96.6Very high13 Ų1336.1 Ų36.17%0.06723%0.233CC..EExtended strand (participates in β ladder)trans-126.3138.2173.2-174.8170.7000108.5D460 S461 F508 F510D460-I477 WeakPolarHBondContact CA-O 3.28Å; D460-I477 WeakPolarHBondContact CB-O 3.35Å; S461-I477 PolarHBondContact N-O 2.9Å; S461-I477 VanDerWaalsContact N-O 3.14Å; S461-I477 PolarHBondContact O-N 3.08Å; I477-F508 VanDerWaalsContact CD1-O 3.3Å; I477-F508 WeakPolarHBondContact CD1-O 3.47Å; I477-F510 HydrophobicContact CB-CD1 3.88Å; I477-F510 HydrophobicContact CB-CD2 4.04Å; I477-F510 HydrophobicContact CB-CE1 3.95Å; I477-F510 HydrophobicContact CB-CE2 4.11Å; I477-F510 HydrophobicContact CB-CG 3.93Å; I477-F510 HydrophobicContact CB-CZ 4.07Å; I477-F510 HydrophobicContact CD1-CD2 4.18Å; I477-F510 HydrophobicContact CD1-CE2 4.23Å; I477-F510 HydrophobicContact CG2-CD1 3.99Å; I477-F510 HydrophobicContact CG2-CD2 4.2Å; I477-F510 HydrophobicContact CG2-CE1 3.5Å; I477-F510 HydrophobicContact CG2-CE2 3.74Å; I477-F510 HydrophobicContact CG2-CG 4.32Å; I477-F510 HydrophobicContact CG2-CZ 3.37Å
478N98.3Very high96.6Very high1 Ų130.4 Ų30.41%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-108.6148.3171.3-173.727.2000109.5G39 W40 T223 R225 Y459G39-N478 WeakPolarHBondContact O-CB 3.28Å; G39-N478 PolarHBondContact O-ND2 3.1Å; W40-N478 HydrophobicContact CD2-CB 4.46Å; W40-N478 HydrophobicContact CZ2-CB 4.21Å; W40-N478 VanDerWaalsContact NE1-N 3.19Å; T223-N478 PolarHBondContact O-ND2 3.15Å; R225-N478 HydrophobicContact CG-CB 4.28Å; R225-N478 VanDerWaalsContact CG-CG 3.43Å; R225-N478 VanDerWaalsContact CG-ND2 3.32Å; R225-N478 WeakPolarHBondContact CG-ND2 3.45Å; R225-N478 WeakPolarHBondContact CG-OD1 3.47Å; Y459-N478 CarbonylContact O-C 3.59Å; Y459-N478 PolarHBondContact O-OD1 3.41Å; Y459-N478 VanDerWaalsContact O-OD1 3.11Å
479G97.6Very high96.6Very high1 Ų128.3 Ų28.31%0.0121%0.207CC..SBendtrans102.2160.4-177.800000115R424 Y459 Y506R424-G479 VanDerWaalsContact CZ-O 3.24Å; R424-G479 PolarHBondContact NH1-O 2.91Å; R424-G479 PolarHBondContact NH2-O 3.36Å; Y459-G479 CarbonylContact C-O 3.53Å; Y459-G479 CarbonylContact O-C 3.55Å; Y459-G479 WeakPolarHBondContact O-CA 3.36Å; Y459-G479 PolarHBondContact O-N 2.81Å; G479-Y506 VanDerWaalsContact CA-CD1 3.41Å
480P97.6Very high96.6Very high3 Ų330.5 Ų30.52%0.01922%0.22CC..  trans-66.4155.8179.4-20.835.4000114.2Y220 R424 R445 C458 V482 F489Y220-P480 HydrophobicContact CD1-CG 4.24Å; Y220-P480 HydrophobicContact CD2-CG 4.03Å; Y220-P480 HydrophobicContact CE1-CB 4.39Å; Y220-P480 HydrophobicContact CE1-CG 3.67Å; Y220-P480 HydrophobicContact CE2-CB 4.28Å; Y220-P480 HydrophobicContact CE2-CG 3.43Å; Y220-P480 VanDerWaalsContact CE2-CG 3.43Å; Y220-P480 HydrophobicContact CG-CG 4.4Å; Y220-P480 WeakPolarHBondContact OH-CB 3.32Å; Y220-P480 WeakPolarHBondContact OH-CG 3.37Å; R424-P480 PolarHBondContact NH2-O 2.73Å; R445-P480 VanDerWaalsContact CD-CB 3.41Å; C458-P480 WeakPolarHBondContact O-CA 3.4Å; P480-V482 PolarHBondContact O-N 3.43Å; P480-F489 HydrophobicContact CB-CB 4.35Å; P480-F489 HydrophobicContact CG-CB 3.8Å; P480-F489 HydrophobicContact CG-CD1 4.45Å; P480-F489 HydrophobicContact CG-CG 4.08Å
481P97.3Very high96.6Very high0 Ų026.3 Ų26.30%019%0.19CC..  trans-67.4129.3-177.127.3-36.8000112.6R424 N426 C443 R445R424-P481 WeakPolarHBondContact O-CB 3.21Å; N426-P481 HydrophobicContact CB-CG 4.2Å; C443-P481 HydrophobicContact CB-CG 3.98Å; C443-P481 WeakPolarHBondContact O-CG 3.42Å; C443-P481 WeakPolarHBondContact SG-CD 3.47Å; C443-P481 WeakPolarHBondContact SG-CG 3.44Å; R445-P481 VanDerWaalsContact CD-CD 3.5Å; R445-P481 HydrophobicContact CG-CG 3.82Å; R445-P481 PolarHBondContact NH1-O 3.4Å
482V96.8Very high96.4Very high46 Ų4632.6 Ų32.628%0.27921%0.207SC..  trans-103.6-1171.4-60.10000112.6P480 L486 V488P480-V482 PolarHBondContact O-N 3.43Å; V482-L486 PolarHBondContact O-N 2.68Å; V482-V488 HydrophobicContact CG1-CG2 4.03Å
483Q89.4Confident96.1Very high46 Ų4638.3 Ų38.322%0.21523%0.228CC..G310 helixtrans-60.9147.9-179.6-174.9-179.1-46.300111.2Y421 G485 L486Y421-Q483 VanDerWaalsContact CD2-CD 3.49Å; Y421-Q483 HydrophobicContact CD2-CG 4.41Å; Y421-Q483 VanDerWaalsContact CE2-CD 3.47Å; Y421-Q483 HydrophobicContact CE2-CG 4.07Å; Y421-Q483 PolarHBondContact O-NE2 2.75Å; Y421-Q483 PolarHBondContact O-OE1 3.12Å; Q483-G485 VanDerWaalsContact C-N 3.25Å; Q483-G485 PolarHBondContact O-N 3.18Å; Q483-L486 WeakPolarHBondContact O-CG 3.12Å
484G84.8Confident95.9Very high70 Ų7038.6 Ų38.672%0.72223%0.229SC*.G310 helixtrans73.915.9179.100000114.1
485G92.4Very high95.5Very high76 Ų7643.4 Ų43.478%0.78425%0.254SS*.G310 helixtrans83.815.6179.900000114Q483Q483-G485 VanDerWaalsContact C-N 3.25Å; Q483-G485 PolarHBondContact O-N 3.18Å
486L97.1Very high95.2Very high15 Ų1551.5 Ų51.58%0.07929%0.291CS..PPolyproline II helixtrans-65.3140.3173-66.5176.5000110.4N426 Y428 R445 L448 V482 Q483N426-L486 HydrophobicContact CB-CD1 3.68Å; N426-L486 WeakPolarHBondContact O-CD1 3.32Å; Y428-L486 HydrophobicContact CD1-CD2 4.05Å; Y428-L486 HydrophobicContact CE1-CD2 3.64Å; R445-L486 HydrophobicContact CG-CD1 4.21Å; L448-L486 HydrophobicContact CD1-CD2 3.93Å; V482-L486 PolarHBondContact O-N 2.68Å; Q483-L486 WeakPolarHBondContact O-CG 3.12Å
487P97.3Very high94.9Very high72 Ų7253 Ų5347%0.46830%0.3SS..PPolyproline II helixtrans-66.6146.2-177.629.1-36.5000111.3R445 L448 F489R445-P487 PolarHBondContact NH1-O 3.48Å; R445-P487 PolarHBondContact NH2-O 3.09Å; R445-P487 VanDerWaalsContact NH2-O 3.08Å; L448-P487 HydrophobicContact CD1-CG 4.15Å; L448-P487 HydrophobicContact CD2-CG 3.64Å; P487-F489 PolarHBondContact O-N 2.81Å
488V98Very high94.7Very high58 Ų5859 Ų5935%0.35232%0.322SS..PPolyproline II helixtrans-57.3127.2169.3173.10000108.7V482 T490 A505 N507V482-V488 HydrophobicContact CG1-CG2 4.03Å; V488-T490 HydrophobicContact CG1-CG2 4.4Å; V488-A505 HydrophobicContact CG1-CB 4.11Å; V488-N507 HydrophobicContact CG1-CB 4.08Å; V488-N507 HydrophobicContact CG2-CB 3.95Å
489F98.2Very high94.6Very high4 Ų461.3 Ų61.32%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-67.9136.3173172.4-96.3000109.8Y220 D447 P455 P480 P487 W491 F494 A505 Y506Y220-F489 HydrophobicContact CD2-CD1 4.2Å; Y220-F489 AromaticContact CD2-CD2 3.75Å; Y220-F489 HydrophobicContact CD2-CD2 3.75Å; Y220-F489 AromaticContact CD2-CE1 3.97Å; Y220-F489 HydrophobicContact CD2-CE1 3.97Å; Y220-F489 AromaticContact CD2-CE2 3.45Å; Y220-F489 HydrophobicContact CD2-CE2 3.45Å; Y220-F489 VanDerWaalsContact CD2-CE2 3.45Å; Y220-F489 HydrophobicContact CD2-CG 4.12Å; Y220-F489 AromaticContact CD2-CZ 3.6Å; Y220-F489 HydrophobicContact CD2-CZ 3.6Å; Y220-F489 AromaticContact CE2-CD2 3.68Å; Y220-F489 HydrophobicContact CE2-CD2 3.68Å; Y220-F489 AromaticContact CE2-CE2 3.81Å; Y220-F489 HydrophobicContact CE2-CE2 3.81Å; Y220-F489 HydrophobicContact CE2-CG 4.12Å; Y220-F489 HydrophobicContact CE2-CZ 4.38Å; Y220-F489 HydrophobicContact CG-CZ 4.49Å; D447-F489 HydrophobicContact CB-CD2 4.11Å; D447-F489 HydrophobicContact CB-CE2 4.23Å; P455-F489 HydrophobicContact CB-CE2 4.13Å; P455-F489 HydrophobicContact CB-CZ 4.1Å; P480-F489 HydrophobicContact CB-CB 4.35Å; P480-F489 HydrophobicContact CG-CB 3.8Å; P480-F489 HydrophobicContact CG-CD1 4.45Å; P480-F489 HydrophobicContact CG-CG 4.08Å; P487-F489 PolarHBondContact O-N 2.81Å; F489-W491 AromaticContact CE1-CD2 3.86Å; F489-W491 HydrophobicContact CE1-CD2 3.86Å; F489-W491 AromaticContact CE1-CE2 3.73Å; F489-W491 HydrophobicContact CE1-CE3 4.3Å; F489-W491 HydrophobicContact CE1-CG 4.2Å; F489-W491 HydrophobicContact CE1-CH2 4.47Å; F489-W491 HydrophobicContact CE1-CZ2 4.05Å; F489-W491 AromaticContact CZ-CD2 3.92Å; F489-W491 HydrophobicContact CZ-CD2 3.92Å; F489-W491 AromaticContact CZ-CE3 3.9Å; F489-W491 HydrophobicContact CZ-CE3 3.9Å; F489-W491 HydrophobicContact CZ-CG 4.49Å; F489-W491 HydrophobicContact CZ-CH2 4.27Å; F489-W491 HydrophobicContact CZ-CZ2 4.3Å; F489-W491 HydrophobicContact CZ-CZ3 4.07Å; F489-F494 HydrophobicContact CD2-CD2 4.46Å; F489-F494 HydrophobicContact CD2-CE2 4.28Å; F489-F494 AromaticContact CE2-CD2 3.46Å; F489-F494 HydrophobicContact CE2-CD2 3.46Å; F489-F494 VanDerWaalsContact CE2-CD2 3.46Å; F489-F494 AromaticContact CE2-CE2 3.6Å; F489-F494 HydrophobicContact CE2-CE2 3.6Å; F489-F494 AromaticContact CZ-CD2 3.98Å; F489-F494 HydrophobicContact CZ-CD2 3.98Å; F489-A505 WeakPolarHBondContact O-CA 3.23Å; F489-Y506 AromaticContact CD1-CD2 3.49Å; F489-Y506 HydrophobicContact CD1-CD2 3.49Å; F489-Y506 VanDerWaalsContact CD1-CD2 3.49Å; F489-Y506 AromaticContact CD1-CE2 3.85Å; F489-Y506 HydrophobicContact CD1-CE2 3.85Å; F489-Y506 HydrophobicContact CD1-CG 4.3Å; F489-Y506 HydrophobicContact CE1-CD2 4.06Å; F489-Y506 AromaticContact CE1-CE2 3.92Å; F489-Y506 HydrophobicContact CE1-CE2 3.92Å; F489-Y506 PolarHBondContact O-N 3.22Å
490T97.4Very high94.6Very high49 Ų4965.7 Ų65.730%0.30135%0.353SS..EExtended strand (participates in β ladder)trans-137.1143.817472.90000110.4V488 K492 D504 A505V488-T490 HydrophobicContact CG1-CG2 4.4Å; T490-K492 PolarHBondContact O-N 3.35Å; T490-D504 VanDerWaalsContact CA-O 3.31Å; T490-D504 WeakPolarHBondContact CA-O 3.44Å; T490-A505 HydrophobicContact CG2-CB 3.87Å
491W97.1Very high94.6Very high6 Ų666.7 Ų66.72%0.02336%0.364CS..G310 helixtrans-68.5-11.7178.2-72.8110.3000113.8P455 F489 R493 F494 N495 T497 H499 L502 P503 D504 Y506P455-W491 HydrophobicContact CB-CH2 4.38Å; P455-W491 HydrophobicContact CB-CZ3 3.94Å; P455-W491 HydrophobicContact CG-CZ3 4.28Å; F489-W491 AromaticContact CE1-CD2 3.86Å; F489-W491 HydrophobicContact CE1-CD2 3.86Å; F489-W491 AromaticContact CE1-CE2 3.73Å; F489-W491 HydrophobicContact CE1-CE3 4.3Å; F489-W491 HydrophobicContact CE1-CG 4.2Å; F489-W491 HydrophobicContact CE1-CH2 4.47Å; F489-W491 HydrophobicContact CE1-CZ2 4.05Å; F489-W491 AromaticContact CZ-CD2 3.92Å; F489-W491 HydrophobicContact CZ-CD2 3.92Å; F489-W491 AromaticContact CZ-CE3 3.9Å; F489-W491 HydrophobicContact CZ-CE3 3.9Å; F489-W491 HydrophobicContact CZ-CG 4.49Å; F489-W491 HydrophobicContact CZ-CH2 4.27Å; F489-W491 HydrophobicContact CZ-CZ2 4.3Å; F489-W491 HydrophobicContact CZ-CZ3 4.07Å; W491-R493 PolarHBondContact O-N 3.04Å; W491-R493 VanDerWaalsContact O-N 3.13Å; W491-F494 HydrophobicContact CE3-CB 4.08Å; W491-F494 HydrophobicContact CZ3-CB 4.36Å; W491-F494 CarbonylContact O-C 3.54Å; W491-F494 WeakPolarHBondContact O-CA 3.42Å; W491-F494 PolarHBondContact O-N 3.31Å; W491-N495 PolarHBondContact O-N 2.9Å; W491-T497 HydrophobicContact CH2-CG2 4.29Å; W491-T497 HydrophobicContact CZ3-CG2 3.82Å; W491-H499 AromaticContact CD1-CD2 3.91Å; W491-H499 HydrophobicContact CD2-CB 3.8Å; W491-H499 AromaticContact CD2-CG 3.61Å; W491-H499 AromaticContact CD2-ND1 3.78Å; W491-H499 AromaticContact CE2-CG 3.9Å; W491-H499 HydrophobicContact CE3-CB 4.09Å; W491-H499 AromaticContact CE3-CG 3.9Å; W491-H499 AromaticContact CE3-ND1 3.64Å; W491-H499 HydrophobicContact CG-CB 4.4Å; W491-H499 AromaticContact CG-CD2 3.75Å; W491-H499 AromaticContact CG-CG 3.86Å; W491-H499 AromaticContact CG-NE2 4Å; W491-H499 HydrophobicContact CH2-CB 4.03Å; W491-H499 HydrophobicContact CZ2-CB 3.73Å; W491-H499 HydrophobicContact CZ3-CB 4.2Å; W491-L502 HydrophobicContact CZ2-CD1 3.64Å; W491-P503 PolarHBondContact NE1-O 3.49Å; W491-D504 PolarHBondContact N-O 3.27Å; W491-Y506 AromaticContact NE1-CE2 3.44Å; W491-Y506 AromaticContact NE1-CZ 3.88Å; W491-Y506 PolarHBondContact NE1-OH 2.91Å
492K94.7Very high94.6Very high184 Ų18467.2 Ų67.280%0.837%0.367SS*.G310 helixtrans-53.5-36.5179.8-67.8-174.6178.6-178.70113.3T490T490-K492 PolarHBondContact O-N 3.35Å
493R91.2Very high94.6Very high138 Ų13865.2 Ų65.252%0.52136%0.355SS..G310 helixtrans-79.6-18177.7-172.1176.8-179.8-160.90.5113.3D447 P453 W491D447-R493 PolarHBondContact O-NH1 3.17Å; P453-R493 VanDerWaalsContact CB-NH2 3.34Å; P453-R493 VanDerWaalsContact CG-NH2 3.26Å; W491-R493 PolarHBondContact O-N 3.04Å; W491-R493 VanDerWaalsContact O-N 3.13Å
494F93.9Very high94.9Very high20 Ų2069 Ų699%0.08838%0.376CS..G310 helixtrans-127.938.7-172.5-55.4-77.8000111.4D447 P453 P455 F489 W491 H496 T497D447-F494 HydrophobicContact CB-CE2 3.78Å; D447-F494 HydrophobicContact CB-CZ 3.69Å; P453-F494 HydrophobicContact CB-CE1 4.11Å; P453-F494 HydrophobicContact CB-CZ 4.06Å; P455-F494 HydrophobicContact CB-CB 4.04Å; P455-F494 HydrophobicContact CB-CD1 4Å; P455-F494 HydrophobicContact CB-CD2 4.07Å; P455-F494 HydrophobicContact CB-CE1 4.46Å; P455-F494 HydrophobicContact CB-CG 3.76Å; P455-F494 HydrophobicContact CG-CB 4.06Å; P455-F494 HydrophobicContact CG-CD1 3.92Å; P455-F494 HydrophobicContact CG-CG 4.02Å; F489-F494 HydrophobicContact CD2-CD2 4.46Å; F489-F494 HydrophobicContact CD2-CE2 4.28Å; F489-F494 AromaticContact CE2-CD2 3.46Å; F489-F494 HydrophobicContact CE2-CD2 3.46Å; F489-F494 VanDerWaalsContact CE2-CD2 3.46Å; F489-F494 AromaticContact CE2-CE2 3.6Å; F489-F494 HydrophobicContact CE2-CE2 3.6Å; F489-F494 AromaticContact CZ-CD2 3.98Å; F489-F494 HydrophobicContact CZ-CD2 3.98Å; W491-F494 HydrophobicContact CE3-CB 4.08Å; W491-F494 HydrophobicContact CZ3-CB 4.36Å; W491-F494 CarbonylContact O-C 3.54Å; W491-F494 WeakPolarHBondContact O-CA 3.42Å; W491-F494 PolarHBondContact O-N 3.31Å; F494-H496 PolarHBondContact O-N 3.33Å; F494-H496 VanDerWaalsContact O-N 3.11Å; F494-T497 PolarHBondContact O-N 3.11Å; F494-T497 VanDerWaalsContact O-N 3.1Å
495N90.8Very high95.5Very high101 Ų10167.7 Ų67.754%0.5436%0.358SS..THydrogen-bonded Turntrans-64.5-16.1-17365-5.3000114.2W491W491-N495 PolarHBondContact O-N 2.9Å
496H91.4Very high95.7Very high179 Ų17964.1 Ų64.183%0.82932%0.321SS*.THydrogen-bonded Turntrans-82.6-18.4176.2-62.8-56.5000113.9F494F494-H496 PolarHBondContact O-N 3.33Å; F494-H496 VanDerWaalsContact O-N 3.11Å
497T93.2Very high95.7Very high31 Ų3168 Ų6819%0.1934%0.342CS..SBendtrans-75.2135.5174.4-58.30000108.9A221 P455 W491 F494 H499A221-T497 HydrophobicContact CB-CG2 4.23Å; P455-T497 HydrophobicContact CG-CG2 4.21Å; W491-T497 HydrophobicContact CH2-CG2 4.29Å; W491-T497 HydrophobicContact CZ3-CG2 3.82Å; F494-T497 PolarHBondContact O-N 3.11Å; F494-T497 VanDerWaalsContact O-N 3.1Å; T497-H499 PolarHBondContact O-CE1 3.36Å; T497-H499 PolarHBondContact O-N 3.02Å; T497-H499 PolarHBondContact O-ND1 3.3Å
498R94.9Very high95.8Very high140 Ų14065.8 Ų65.853%0.52833%0.325SS..  trans-70.2130.2174.8-67.1-165.6-178.2179.3-4.2111A80A80-R498 WeakPolarHBondContact O-CD 3.31Å
499H96.6Very high95.7Very high48 Ų4870.1 Ų70.122%0.22234%0.341CS..  trans-147.242.5-175.954-91000112.2N81 W491 T497 L502N81-H499 WeakPolarHBondContact OD1-CA 3.19Å; N81-H499 PolarHBondContact OD1-N 2.95Å; W491-H499 AromaticContact CD1-CD2 3.91Å; W491-H499 HydrophobicContact CD2-CB 3.8Å; W491-H499 AromaticContact CD2-CG 3.61Å; W491-H499 AromaticContact CD2-ND1 3.78Å; W491-H499 AromaticContact CE2-CG 3.9Å; W491-H499 HydrophobicContact CE3-CB 4.09Å; W491-H499 AromaticContact CE3-CG 3.9Å; W491-H499 AromaticContact CE3-ND1 3.64Å; W491-H499 HydrophobicContact CG-CB 4.4Å; W491-H499 AromaticContact CG-CD2 3.75Å; W491-H499 AromaticContact CG-CG 3.86Å; W491-H499 AromaticContact CG-NE2 4Å; W491-H499 HydrophobicContact CH2-CB 4.03Å; W491-H499 HydrophobicContact CZ2-CB 3.73Å; W491-H499 HydrophobicContact CZ3-CB 4.2Å; T497-H499 PolarHBondContact O-CE1 3.36Å; T497-H499 PolarHBondContact O-N 3.02Å; T497-H499 PolarHBondContact O-ND1 3.3Å; H499-L502 HydrophobicContact CB-CB 4.2Å; H499-L502 HydrophobicContact CB-CD1 3.71Å; H499-L502 HydrophobicContact CB-CG 4.26Å; H499-L502 WeakPolarHBondContact O-CB 3.4Å; H499-L502 PolarHBondContact O-N 2.77Å
500Q97Very high95.7Very high94 Ų9472.6 Ų72.644%0.43935%0.352SS..THydrogen-bonded Turntrans-58.2139.8177.1-62.6-178.51.400111.2D77 N81 L502D77-Q500 HydrophobicContact CB-CB 4.18Å; N81-Q500 PolarHBondContact ND2-N 3.44Å; N81-Q500 PolarHBondContact ND2-O 2.58Å; N81-Q500 PolarHBondContact OD1-N 3.14Å; Q500-L502 PolarHBondContact O-N 3.18Å; Q500-L502 VanDerWaalsContact O-N 3.1Å
501G96.5Very high95.8Very high24 Ų2472 Ų7225%0.24735%0.348CS..THydrogen-bonded Turntrans71.7-5.5-178.900000115.6Q36Q36-G501 PolarHBondContact NE2-O 2.64Å; Q36-G501 VanDerWaalsContact NE2-O 3.15Å
502L97.8Very high95.8Very high11 Ų1176 Ų766%0.05837%0.374CS..  trans-84.8151.5-177.6-64.6-174.3000112.9T223 L224 W491 H499 Q500T223-L502 VanDerWaalsContact C-CD2 3.41Å; L224-L502 HydrophobicContact CB-CD2 3.55Å; L224-L502 HydrophobicContact CD1-CD2 4.02Å; L224-L502 HydrophobicContact CG-CD2 4.34Å; L224-L502 VanDerWaalsContact N-CD2 3.27Å; W491-L502 HydrophobicContact CZ2-CD1 3.64Å; H499-L502 HydrophobicContact CB-CB 4.2Å; H499-L502 HydrophobicContact CB-CD1 3.71Å; H499-L502 HydrophobicContact CB-CG 4.26Å; H499-L502 WeakPolarHBondContact O-CB 3.4Å; H499-L502 PolarHBondContact O-N 2.77Å; Q500-L502 PolarHBondContact O-N 3.18Å; Q500-L502 VanDerWaalsContact O-N 3.1Å
503P97.1Very high96Very high4 Ų467.4 Ų67.43%0.02634%0.336CS..  trans-65.8146.3169.9-19.232.7000112.2I35 W491 A505 Y506 F508I35-P503 HydrophobicContact CG1-CG 4.43Å; I35-P503 WeakPolarHBondContact O-CG 3.43Å; W491-P503 PolarHBondContact NE1-O 3.49Å; P503-A505 VanDerWaalsContact C-N 3.28Å; P503-A505 PolarHBondContact O-N 2.92Å; P503-Y506 VanDerWaalsContact O-CE2 3.28Å; P503-Y506 WeakPolarHBondContact O-CE2 3.39Å; P503-F508 HydrophobicContact CB-CE2 4.24Å; P503-F508 HydrophobicContact CB-CZ 3.86Å; P503-F508 HydrophobicContact CG-CE2 3.94Å; P503-F508 HydrophobicContact CG-CZ 3.68Å
504D95.7Very high96.3Very high125 Ų12568.4 Ų68.467%0.66834%0.34SS*.SBendtrans-65.5-30178.6-74.8-21.4000113.6T490 W491T490-D504 VanDerWaalsContact CA-O 3.31Å; T490-D504 WeakPolarHBondContact CA-O 3.44Å; W491-D504 PolarHBondContact N-O 3.27Å
505A97.1Very high96.5Very high42 Ų4269 Ų6935%0.34735%0.346SS..EExtended strand (participates in β ladder)trans-143.6149-176.300000111.3V488 F489 T490 P503V488-A505 HydrophobicContact CG1-CB 4.11Å; F489-A505 WeakPolarHBondContact O-CA 3.23Å; T490-A505 HydrophobicContact CG2-CB 3.87Å; P503-A505 VanDerWaalsContact C-N 3.28Å; P503-A505 PolarHBondContact O-N 2.92Å
506Y97.8Very high96.7Very high2 Ų268.9 Ų68.91%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-118.892.4-172.9-68.2-106.7000110.7T223 G479 F489 W491 P503 F508T223-Y506 HydrophobicContact CG2-CE1 4.24Å; T223-Y506 WeakPolarHBondContact OG1-CE1 3.43Å; T223-Y506 PolarHBondContact OG1-OH 3.01Å; G479-Y506 VanDerWaalsContact CA-CD1 3.41Å; F489-Y506 AromaticContact CD1-CD2 3.49Å; F489-Y506 HydrophobicContact CD1-CD2 3.49Å; F489-Y506 VanDerWaalsContact CD1-CD2 3.49Å; F489-Y506 AromaticContact CD1-CE2 3.85Å; F489-Y506 HydrophobicContact CD1-CE2 3.85Å; F489-Y506 HydrophobicContact CD1-CG 4.3Å; F489-Y506 HydrophobicContact CE1-CD2 4.06Å; F489-Y506 AromaticContact CE1-CE2 3.92Å; F489-Y506 HydrophobicContact CE1-CE2 3.92Å; F489-Y506 PolarHBondContact O-N 3.22Å; W491-Y506 AromaticContact NE1-CE2 3.44Å; W491-Y506 AromaticContact NE1-CZ 3.88Å; W491-Y506 PolarHBondContact NE1-OH 2.91Å; P503-Y506 VanDerWaalsContact O-CE2 3.28Å; P503-Y506 WeakPolarHBondContact O-CE2 3.39Å; Y506-F508 HydrophobicContact CD1-CD2 4.28Å; Y506-F508 AromaticContact CD1-CE2 3.95Å; Y506-F508 HydrophobicContact CD1-CE2 3.95Å; Y506-F508 HydrophobicContact CG-CE2 4.41Å
507N96.9Very high96.8Very high95 Ų9562 Ų6251%0.50831%0.314SS..  trans-133.246.9175.7-166.432000110.8V488V488-N507 HydrophobicContact CG1-CB 4.08Å; V488-N507 HydrophobicContact CG2-CB 3.95Å
508F97.9Very high97Very high26 Ų2663.6 Ų63.611%0.11432%0.32CS..PPolyproline II helixtrans-82.8162.7-178.1-58.6-63.8000112T37 T38 I477 P503 Y506T37-F508 WeakPolarHBondContact O-CD1 3.28Å; T37-F508 WeakPolarHBondContact O-CE1 3.27Å; T38-F508 VanDerWaalsContact C-CD1 3.43Å; I477-F508 VanDerWaalsContact CD1-O 3.3Å; I477-F508 WeakPolarHBondContact CD1-O 3.47Å; P503-F508 HydrophobicContact CB-CE2 4.24Å; P503-F508 HydrophobicContact CB-CZ 3.86Å; P503-F508 HydrophobicContact CG-CE2 3.94Å; P503-F508 HydrophobicContact CG-CZ 3.68Å; Y506-F508 HydrophobicContact CD1-CD2 4.28Å; Y506-F508 AromaticContact CD1-CE2 3.95Å; Y506-F508 HydrophobicContact CD1-CE2 3.95Å; Y506-F508 HydrophobicContact CG-CE2 4.41Å
509H96.8Very high97.1Very high149 Ų14959.5 Ų59.569%0.6931%0.309SS*.PPolyproline II helixtrans-102.5166.6172-61.3-62.9000111V511H509-V511 PolarHBondContact O-N 2.71Å
510F98.4Very high97.1Very high56 Ų5660.2 Ų60.225%0.24631%0.314CS..PPolyproline II helixtrans-62.2132.2167.6-81.6-90.5000110.1K420 R424 V463 A476 I477K420-F510 HydrophobicContact CB-CD2 4.41Å; K420-F510 HydrophobicContact CB-CE1 4.32Å; K420-F510 HydrophobicContact CB-CE2 3.75Å; K420-F510 HydrophobicContact CB-CZ 3.68Å; K420-F510 HydrophobicContact CD-CD1 4.11Å; K420-F510 HydrophobicContact CD-CD2 3.95Å; K420-F510 HydrophobicContact CD-CE1 4.26Å; K420-F510 HydrophobicContact CD-CE2 4.1Å; K420-F510 HydrophobicContact CD-CG 3.95Å; K420-F510 HydrophobicContact CD-CZ 4.25Å; K420-F510 HydrophobicContact CG-CD1 4.15Å; K420-F510 HydrophobicContact CG-CD2 4.3Å; K420-F510 HydrophobicContact CG-CE1 3.8Å; K420-F510 HydrophobicContact CG-CE2 3.96Å; K420-F510 HydrophobicContact CG-CG 4.38Å; K420-F510 HydrophobicContact CG-CZ 3.69Å; R424-F510 HydrophobicContact CG-CE2 4.17Å; R424-F510 HydrophobicContact CG-CZ 4.02Å; V463-F510 HydrophobicContact CG2-CE1 4.17Å; A476-F510 CarbonylContact O-C 3.54Å; A476-F510 WeakPolarHBondContact O-CA 3.48Å; I477-F510 HydrophobicContact CB-CD1 3.88Å; I477-F510 HydrophobicContact CB-CD2 4.04Å; I477-F510 HydrophobicContact CB-CE1 3.95Å; I477-F510 HydrophobicContact CB-CE2 4.11Å; I477-F510 HydrophobicContact CB-CG 3.93Å; I477-F510 HydrophobicContact CB-CZ 4.07Å; I477-F510 HydrophobicContact CD1-CD2 4.18Å; I477-F510 HydrophobicContact CD1-CE2 4.23Å; I477-F510 HydrophobicContact CG2-CD1 3.99Å; I477-F510 HydrophobicContact CG2-CD2 4.2Å; I477-F510 HydrophobicContact CG2-CE1 3.5Å; I477-F510 HydrophobicContact CG2-CE2 3.74Å; I477-F510 HydrophobicContact CG2-CG 4.32Å; I477-F510 HydrophobicContact CG2-CZ 3.37Å
511V98.2Very high97.1Very high37 Ų3758.2 Ų58.222%0.22431%0.306CS..EExtended strand (participates in β ladder)trans-114.5149.4173.4-630000110.6T38 W40 T475 A476 H509 M513T38-V511 HydrophobicContact CG2-CG1 4.19Å; W40-V511 HydrophobicContact CG-CG2 4.49Å; T475-V511 CarbonylContact C-O 3.52Å; T475-V511 VanDerWaalsContact CA-O 3.29Å; T475-V511 WeakPolarHBondContact CA-O 3.31Å; A476-V511 PolarHBondContact N-O 3.27Å; A476-V511 WeakPolarHBondContact O-CG2 3.47Å; A476-V511 PolarHBondContact O-N 2.89Å; H509-V511 PolarHBondContact O-N 2.71Å; V511-M513 HydrophobicContact CG2-CE 3.29Å; V511-M513 HydrophobicContact CG2-SD 3.9Å
512T98.4Very high97.2Very high91 Ų9160.3 Ų60.356%0.55831%0.31SS*.EExtended strand (participates in β ladder)trans-83.6125.3175.3-59.70000110T473T473-T512 HydrophobicContact CG2-CG2 3.71Å
513M98.4Very high97.1Very high3 Ų363.6 Ų63.62%0.01533%0.327CS..EExtended strand (participates in β ladder)trans-105.8117.7176.3-54.1-58.2-164.100108.6W40 V42 Y227 T473 A474 A476 V511W40-M513 HydrophobicContact CB-CE 3.52Å; W40-M513 HydrophobicContact CD2-CE 3.48Å; W40-M513 VanDerWaalsContact CD2-CE 3.48Å; W40-M513 HydrophobicContact CE3-CE 4.02Å; W40-M513 HydrophobicContact CG-CE 3.22Å; V42-M513 HydrophobicContact CG2-SD 4.02Å; Y227-M513 HydrophobicContact CD1-CB 3.45Å; Y227-M513 VanDerWaalsContact CD1-CB 3.45Å; Y227-M513 HydrophobicContact CD1-CG 3.83Å; Y227-M513 HydrophobicContact CD1-SD 4.39Å; Y227-M513 HydrophobicContact CD2-CB 4.03Å; Y227-M513 HydrophobicContact CD2-CE 4.22Å; Y227-M513 HydrophobicContact CD2-CG 3.58Å; Y227-M513 HydrophobicContact CD2-SD 4.35Å; Y227-M513 HydrophobicContact CE1-CB 3.36Å; Y227-M513 HydrophobicContact CE1-CG 4.04Å; Y227-M513 HydrophobicContact CE2-CB 3.99Å; Y227-M513 HydrophobicContact CE2-CG 3.85Å; Y227-M513 HydrophobicContact CG-CB 3.77Å; Y227-M513 HydrophobicContact CG-CE 4.19Å; Y227-M513 HydrophobicContact CG-CG 3.56Å; Y227-M513 HydrophobicContact CG-SD 3.95Å; T473-M513 VanDerWaalsContact CA-O 3.24Å; T473-M513 WeakPolarHBondContact CA-O 3.33Å; A474-M513 PolarHBondContact N-O 3.1Å; A474-M513 PolarHBondContact O-N 3.35Å; A476-M513 HydrophobicContact CB-CE 4.01Å; A476-M513 HydrophobicContact CB-CG 4.04Å; V511-M513 HydrophobicContact CG2-CE 3.29Å; V511-M513 HydrophobicContact CG2-SD 3.9Å
514R97.6Very high97.1Very high158 Ų15867.9 Ų67.960%0.59635%0.348SS*.  trans-151145.4178.867.2-179.4-178.7-179.2-0.2110.4H229 T473 I516H229-R514 VanDerWaalsContact CE1-C 3.48Å; T473-R514 HydrophobicContact CG2-CB 4.24Å; T473-R514 WeakPolarHBondContact OG1-CB 3.35Å; R514-I516 HydrophobicContact CG-CG2 4.44Å
515P97.3Very high97.3Very high33 Ų3363.5 Ų63.521%0.21432%0.324CS..  trans-68.7149.2172.730.1-34.2000111E44 H229 F472E44-P515 VanDerWaalsContact OE1-CB 3.27Å; E44-P515 WeakPolarHBondContact OE1-CB 3.42Å; H229-P515 HydrophobicContact CB-CB 4.2Å; F472-P515 HydrophobicContact CB-CG 3.94Å; F472-P515 VanDerWaalsContact O-CD 3.28Å; F472-P515 WeakPolarHBondContact O-CD 3.49Å
516I96.5Very high97.3Very high98 Ų9865.3 Ų65.350%0.50332%0.322SS..  trans-132.4-2.4-179.165169.3000114.5M1 F30 E44 R514M1-I516 HydrophobicContact CE-CD1 4.03Å; F30-I516 HydrophobicContact CE1-CD1 3.81Å; F30-I516 HydrophobicContact CE1-CG1 3.68Å; F30-I516 HydrophobicContact CZ-CD1 3.8Å; F30-I516 HydrophobicContact CZ-CG1 3.83Å; E44-I516 VanDerWaalsContact CD-N 3.33Å; E44-I516 PolarHBondContact OE1-N 3.01Å; E44-I516 VanDerWaalsContact OE1-N 3.09Å; E44-I516 WeakPolarHBondContact OE2-CG1 3.3Å; E44-I516 PolarHBondContact OE2-N 3.43Å; R514-I516 HydrophobicContact CG-CG2 4.44Å
517L93.1Very high97.2Very high35 Ų3571 Ų7118%0.18335%0.35CS..  trans-90.70-176.6-69.5-176.1000116.5L21 R23 Y28 F30 E44 R46L21-L517 HydrophobicContact CD1-CD2 4.35Å; L21-L517 HydrophobicContact CD2-CD2 3.92Å; R23-L517 VanDerWaalsContact CZ-OXT 3.27Å; R23-L517 PolarHBondContact NH1-OXT 3.01Å; R23-L517 PolarHBondContact NH2-OXT 2.78Å; Y28-L517 HydrophobicContact CD2-CD1 4.5Å; F30-L517 HydrophobicContact CD1-CD1 3.98Å; F30-L517 HydrophobicContact CD1-CD2 4.12Å; F30-L517 HydrophobicContact CD1-CG 4.1Å; F30-L517 HydrophobicContact CE1-CD1 4.16Å; F30-L517 HydrophobicContact CE1-CD2 4.16Å; F30-L517 HydrophobicContact CE1-CG 3.89Å; E44-L517 HydrophobicContact CB-CD1 4.2Å; E44-L517 HydrophobicContact CG-CB 4.24Å; E44-L517 HydrophobicContact CG-CD1 3.86Å; E44-L517 HydrophobicContact CG-CG 4.02Å; E44-L517 WeakPolarHBondContact OE1-CB 3.26Å; E44-L517 PolarHBondContact OE1-N 3.09Å; R46-L517 HydrophobicContact CG-CB 4.28Å; R46-L517 PolarHBondContact NH1-O 3.16Å; R46-L517 PolarHBondContact NH1-OXT 3.1Å

Retrieved 517 of 517 residues in 393.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).